#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i69 n GLU 3 N 0.00 0.00 -1.77 0.00 -0.00 -1.26 -5.13 120.64 112.48 3i69 n GLU 3 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.75 3i69 n GLU 3 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.42 3i69 n GLU 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3i69 s LYS 4 N 4.16 4.12 0.73 3.44 1.02 -1.26 -4.95 119.74 127.00 3i69 s LYS 4 Ca 0.00 2.59 -0.13 0.00 0.02 0.00 0.00 55.97 58.44 3i69 s LYS 4 Cb 0.00 -3.02 0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3i69 s LYS 4 CO 0.00 -0.64 1.14 -2.14 -0.92 0.00 0.00 175.35 172.78 3i69 s PRO 5 N -0.45 2.28 -0.21 -1.68 0.02 -1.25 -4.75 135.00 128.95 3i69 s PRO 5 Ca 0.64 1.46 0.01 0.00 0.02 0.00 0.00 61.00 63.13 3i69 s PRO 5 Cb -0.48 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.19 3i69 s PRO 5 CO 0.48 -1.67 -0.16 0.21 -0.33 0.00 0.00 177.00 175.53 3i69 s LYS 6 N -4.29 2.76 -0.36 5.54 2.20 -0.71 -0.81 119.74 124.07 3i69 s LYS 6 Ca 0.68 -1.00 -0.17 0.00 -0.36 0.00 0.00 55.97 55.12 3i69 s LYS 6 Cb -0.22 -2.70 -0.00 0.00 -1.51 0.00 0.00 37.83 33.39 3i69 s LYS 6 CO 0.48 -0.33 0.43 -0.51 -0.36 0.00 0.00 175.35 175.05 3i69 s LEU 7 N 1.24 4.50 -0.44 5.43 1.02 0.35 -1.63 118.68 129.15 3i69 s LEU 7 Ca 0.00 -0.26 -0.17 0.00 0.02 0.00 0.00 54.13 53.72 3i69 s LEU 7 Cb -0.15 -2.43 0.04 0.00 0.02 0.00 0.00 46.19 43.66 3i69 s LEU 7 CO -0.10 -0.44 0.46 -1.00 0.02 0.00 0.00 176.35 175.29 3i69 s HIS 8 N 2.18 3.16 0.18 0.29 3.76 -0.21 -1.80 115.29 122.85 3i69 s HIS 8 Ca 0.14 -0.49 -0.23 0.00 -0.15 0.00 0.00 55.06 54.33 3i69 s HIS 8 Cb -0.16 -3.05 0.07 0.00 1.11 0.00 0.00 32.58 30.55 3i69 s HIS 8 CO 0.13 -0.77 0.99 -0.47 -0.85 0.00 0.00 174.74 173.76 3i69 s TYR 9 N 2.15 -0.02 0.54 1.40 5.04 -1.22 -2.78 117.35 122.46 3i69 s TYR 9 Ca 0.11 -0.36 -0.18 0.00 -2.44 0.00 0.00 57.07 54.21 3i69 s TYR 9 Cb -0.19 0.68 -0.06 0.00 0.35 0.00 0.00 41.96 42.75 3i69 s TYR 9 CO 0.12 -0.91 1.05 -0.59 -1.34 0.00 0.00 175.55 173.88 3i69 s PHE 10 N -2.68 2.97 -1.09 4.97 -0.71 -1.26 -1.29 117.98 118.88 3i69 s PHE 10 Ca 0.17 1.54 -0.24 0.00 -1.04 0.00 0.00 56.93 57.36 3i69 s PHE 10 Cb -0.02 -3.06 -0.15 0.00 -1.21 0.00 0.00 43.02 38.59 3i69 s PHE 10 CO 0.04 -1.02 1.97 -1.71 -1.34 0.00 0.00 175.22 173.17 3i69 n ASN 11 N -1.48 2.48 0.00 1.98 2.85 -1.26 -4.69 115.26 115.14 3i69 n ASN 11 Ca 0.09 -2.63 0.00 0.00 -0.11 0.00 0.00 54.58 51.93 3i69 n ASN 11 Cb 0.53 -1.65 0.00 0.00 1.24 0.00 0.00 39.78 39.89 3i69 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i69 n GLY 12 N 5.76 -1.37 0.00 8.20 0.00 -1.26 -5.01 105.19 111.52 3i69 n GLY 12 Ca 0.44 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3i69 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i69 n ARG 13 N -0.15 0.00 0.00 1.61 1.74 -1.26 -4.71 116.66 113.89 3i69 n ARG 13 Ca 0.00 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 3i69 n ARG 13 Cb 0.00 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3i69 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i69 n GLY 14 N 0.12 1.63 0.00 -0.13 0.00 -1.26 -2.35 105.19 103.20 3i69 n GLY 14 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3i69 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i69 n ARG 15 N 10.84 0.01 0.15 1.61 1.74 -1.26 -3.99 116.66 125.75 3i69 n ARG 15 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 3i69 n ARG 15 Cb 0.00 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.00 3i69 n ARG 15 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3i69 h MET 16 N 0.00 0.00 0.00 5.56 4.05 -1.78 -3.40 114.93 119.36 3i69 h MET 16 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 3i69 h MET 16 Cb 0.51 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 3i69 h MET 16 CO 0.00 0.06 -0.20 1.49 0.23 0.00 0.00 176.91 178.49 3i69 h GLU 17 N 0.00 0.00 0.00 0.39 4.57 -1.60 -0.91 114.58 117.03 3i69 h GLU 17 Ca -0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3i69 h GLU 17 Cb 1.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 3i69 h GLU 17 CO 0.01 0.20 -0.22 0.66 -1.18 0.00 0.00 179.01 178.48 3i69 h SER 18 N 0.00 0.00 0.36 1.04 4.64 -1.87 -2.16 113.55 115.56 3i69 h SER 18 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3i69 h SER 18 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3i69 h SER 18 CO 0.03 0.22 -0.48 0.74 -0.87 0.00 0.00 176.83 176.46 3i69 h THR 19 N 0.00 1.34 -0.10 2.95 2.02 -1.45 -1.75 112.91 115.92 3i69 h THR 19 Ca -0.00 -1.68 -0.08 0.00 0.77 0.00 0.00 66.41 65.42 3i69 h THR 19 Cb 0.98 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3i69 h THR 19 CO 0.03 0.49 -0.26 0.03 0.37 0.00 0.00 175.52 176.18 3i69 h ARG 20 N 0.12 0.35 -0.49 6.66 3.08 -1.20 -2.21 114.38 120.69 3i69 h ARG 20 Ca 0.00 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.84 3i69 h ARG 20 Cb 0.89 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 3i69 h ARG 20 CO 0.07 0.86 0.27 -1.49 -1.07 0.00 0.00 179.97 178.62 3i69 h TRP 21 N -0.11 0.51 0.14 3.04 4.06 -1.44 -2.00 115.95 120.16 3i69 h TRP 21 Ca -0.01 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 3i69 h TRP 21 Cb 0.88 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.88 3i69 h TRP 21 CO 0.11 0.28 -0.07 1.25 -3.56 0.00 0.00 178.44 176.45 3i69 h LEU 22 N 0.54 -0.16 -0.61 -4.49 5.85 -1.26 -1.66 115.31 113.51 3i69 h LEU 22 Ca 0.20 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.73 3i69 h LEU 22 Cb 0.06 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 3i69 h LEU 22 CO -0.11 0.24 0.19 -0.07 -0.34 0.00 0.00 178.44 178.34 3i69 h LEU 23 N -0.59 0.13 -0.38 2.25 3.38 -1.48 -1.32 115.31 117.30 3i69 h LEU 23 Ca -0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i69 h LEU 23 Cb 0.45 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3i69 h LEU 23 CO 0.03 0.07 0.20 0.00 0.09 0.00 0.00 178.44 178.83 3i69 h ALA 24 N 1.45 0.49 -0.43 1.53 0.00 -1.30 -0.10 119.26 120.90 3i69 h ALA 24 Ca 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3i69 h ALA 24 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3i69 h ALA 24 CO -0.36 0.03 0.23 0.00 0.00 0.00 0.00 179.25 179.16 3i69 h ALA 25 N 1.05 1.60 0.00 0.00 0.00 -0.91 -2.11 119.26 118.89 3i69 h ALA 25 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i69 h ALA 25 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i69 h ALA 25 CO -0.02 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.57 3i69 n ALA 26 N -2.47 2.24 -1.53 0.00 0.00 -0.53 -4.77 120.51 113.45 3i69 n ALA 26 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i69 n ALA 26 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3i69 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i69 n GLY 27 N 1.25 0.87 3.44 0.00 0.00 -0.73 -5.06 105.19 104.95 3i69 n GLY 27 Ca 0.06 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 3i69 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i69 s VAL 28 N -2.19 4.43 0.30 1.61 1.01 -0.13 -5.02 120.40 120.40 3i69 s VAL 28 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3i69 s VAL 28 Cb 0.00 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 3i69 s VAL 28 CO 0.00 0.23 1.10 -1.61 0.00 0.00 0.00 175.10 174.81 3i69 s GLU 29 N 1.61 4.57 0.07 2.72 2.02 -1.26 -4.34 118.70 124.10 3i69 s GLU 29 Ca 0.06 1.77 -0.02 0.00 0.02 0.00 0.00 54.97 56.80 3i69 s GLU 29 Cb -0.16 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 3i69 s GLU 29 CO 0.05 0.16 0.02 -0.59 0.02 0.00 0.00 175.26 174.92 3i69 s PHE 30 N -1.22 0.52 0.36 1.61 -0.12 -1.26 -3.91 117.98 113.95 3i69 s PHE 30 Ca 0.46 -1.02 0.08 0.00 -0.05 0.00 0.00 56.93 56.40 3i69 s PHE 30 Cb -0.31 -0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 41.70 3i69 s PHE 30 CO 0.40 -0.43 0.26 -1.21 -0.05 0.00 0.00 175.22 174.18 3i69 s GLU 31 N -3.93 2.56 -0.03 1.99 2.02 0.01 -4.96 118.70 116.36 3i69 s GLU 31 Ca 0.10 -1.45 0.03 0.00 0.02 0.00 0.00 54.97 53.67 3i69 s GLU 31 Cb 0.07 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.96 3i69 s GLU 31 CO -0.08 0.03 -0.10 -1.21 0.02 0.00 0.00 175.26 173.91 3i69 s GLU 32 N -3.98 1.05 -0.40 1.61 2.02 -1.26 -0.49 118.70 117.26 3i69 s GLU 32 Ca 0.42 -0.36 -0.08 0.00 0.02 0.00 0.00 54.97 54.97 3i69 s GLU 32 Cb -0.04 -0.98 0.07 0.00 0.10 0.00 0.00 34.13 33.29 3i69 s GLU 32 CO 0.25 0.15 0.22 0.21 0.02 0.00 0.00 175.26 176.11 3i69 s LYS 33 N 0.11 2.54 0.14 1.61 2.20 -0.74 -4.90 119.74 120.70 3i69 s LYS 33 Ca -0.02 -1.43 -0.30 0.00 -0.36 0.00 0.00 55.97 53.86 3i69 s LYS 33 Cb -0.08 -3.68 -0.07 0.00 -1.51 0.00 0.00 37.83 32.49 3i69 s LYS 33 CO 0.01 -0.90 1.01 -0.06 -0.36 0.00 0.00 175.35 175.05 3i69 s PHE 34 N 1.39 3.74 -0.48 4.03 0.08 -1.26 -3.41 117.98 122.08 3i69 s PHE 34 Ca 0.02 1.73 -0.19 0.00 0.12 0.00 0.00 56.93 58.61 3i69 s PHE 34 Cb -0.22 -3.13 0.04 0.00 -0.57 0.00 0.00 43.02 39.14 3i69 s PHE 34 CO 0.02 -0.08 0.61 0.42 -0.10 0.00 0.00 175.22 176.08 3i69 s ILE 35 N -0.15 4.89 -0.12 0.64 1.01 -0.41 -4.93 121.20 122.14 3i69 s ILE 35 Ca 0.48 -0.30 0.17 0.00 0.00 0.00 0.00 60.65 60.99 3i69 s ILE 35 Cb -0.26 -4.24 -0.19 0.00 0.01 0.00 0.00 42.46 37.78 3i69 s ILE 35 CO 0.32 -0.70 0.62 0.29 0.00 0.00 0.00 174.94 175.47 3i69 n LYS 36 N 6.13 0.64 -4.48 2.79 4.76 -1.26 -4.31 118.16 122.43 3i69 n LYS 36 Ca -0.05 0.15 -0.23 0.00 -2.87 0.00 0.00 58.31 55.31 3i69 n LYS 36 Cb 0.46 -1.73 -0.11 0.00 -1.84 0.00 0.00 35.03 31.82 3i69 n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3i69 s SER 37 N -5.66 2.64 0.37 4.39 1.04 -1.26 -4.85 113.70 110.37 3i69 s SER 37 Ca -0.05 -1.39 0.05 0.00 0.48 0.00 0.00 55.95 55.05 3i69 s SER 37 Cb 0.09 -0.12 0.72 0.00 0.10 0.00 0.00 66.02 66.81 3i69 s SER 37 CO 0.83 -0.59 1.99 0.00 0.98 0.00 0.00 173.24 176.44 3i69 h ALA 38 N 2.05 1.56 -0.65 5.32 0.00 -1.75 -3.21 119.26 122.58 3i69 h ALA 38 Ca -0.41 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3i69 h ALA 38 Cb 1.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3i69 h ALA 38 CO 0.71 0.36 0.22 0.93 0.00 0.00 0.00 179.25 181.47 3i69 h GLU 39 N 0.61 1.00 -0.25 0.00 3.07 -1.92 -0.19 114.58 116.91 3i69 h GLU 39 Ca 0.16 -0.21 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3i69 h GLU 39 Cb 0.05 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 3i69 h GLU 39 CO -0.02 0.87 0.08 -0.44 -1.40 0.00 0.00 179.01 178.10 3i69 h ASP 40 N 0.94 0.09 -0.56 1.42 3.32 -1.96 -0.33 116.42 119.33 3i69 h ASP 40 Ca 0.21 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3i69 h ASP 40 Cb 0.27 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3i69 h ASP 40 CO -0.01 0.08 0.16 0.25 -1.72 0.00 0.00 179.24 178.00 3i69 h LEU 41 N 0.20 0.87 -0.88 1.55 5.85 -1.50 -1.43 115.31 119.97 3i69 h LEU 41 Ca 0.11 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3i69 h LEU 41 Cb 0.08 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3i69 h LEU 41 CO -0.11 0.84 -0.05 0.44 -0.34 0.00 0.00 178.44 179.21 3i69 h ASP 42 N 0.90 0.00 -0.21 1.25 3.32 -0.80 -2.21 116.42 118.67 3i69 h ASP 42 Ca 0.20 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 3i69 h ASP 42 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3i69 h ASP 42 CO -0.00 0.05 -0.54 0.50 -1.72 0.00 0.00 179.24 177.53 3i69 h LYS 43 N 0.00 0.74 0.06 3.56 1.63 0.00 -1.16 116.57 121.39 3i69 h LYS 43 Ca -0.00 -0.51 -0.00 0.00 -0.85 0.00 0.00 60.65 59.29 3i69 h LYS 43 Cb 0.74 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 3i69 h LYS 43 CO 0.01 1.13 -0.03 -0.07 -3.45 0.00 0.00 179.45 177.04 3i69 h LEU 44 N 0.46 -0.07 -0.43 5.20 3.38 -1.32 -1.61 115.31 120.92 3i69 h LEU 44 Ca -0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3i69 h LEU 44 Cb 1.15 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3i69 h LEU 44 CO 0.12 -0.04 0.22 0.03 0.09 0.00 0.00 178.44 178.86 3i69 h ARG 45 N -0.09 0.44 -0.58 1.13 3.08 -1.40 -2.57 114.38 114.39 3i69 h ARG 45 Ca -0.01 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3i69 h ARG 45 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3i69 h ARG 45 CO 0.01 0.29 0.05 -0.97 -1.07 0.00 0.00 179.97 178.29 3i69 h ASN 46 N 0.45 0.92 0.00 7.04 -1.24 -1.10 -2.67 115.58 118.99 3i69 h ASN 46 Ca 0.18 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.97 3i69 h ASN 46 Cb 0.07 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.87 3i69 h ASN 46 CO -0.12 0.95 0.00 0.47 -1.29 0.00 0.00 177.43 177.45 3i69 n ASP 47 N -4.21 0.00 -0.95 1.15 8.00 -0.62 -4.87 116.55 115.05 3i69 n ASP 47 Ca 0.03 -1.04 -0.09 0.00 0.71 0.00 0.00 54.79 54.40 3i69 n ASP 47 Cb 0.30 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 3i69 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i69 n GLY 48 N 0.52 0.19 0.28 0.44 0.00 -1.01 -4.94 105.19 100.67 3i69 n GLY 48 Ca 0.14 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.73 3i69 n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i69 n TYR 49 N -3.79 0.00 -3.97 1.61 4.01 -0.98 -4.74 117.16 109.31 3i69 n TYR 49 Ca -0.10 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.33 3i69 n TYR 49 Cb 0.53 -0.04 -0.15 0.00 -0.31 0.00 0.00 39.34 39.37 3i69 n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i69 s LEU 50 N -2.67 4.36 0.40 7.72 1.43 -1.25 -4.93 118.68 123.73 3i69 s LEU 50 Ca 0.16 -2.17 0.16 0.00 -1.03 0.00 0.00 54.13 51.24 3i69 s LEU 50 Cb 0.18 -1.52 1.03 0.00 0.03 0.00 0.00 46.19 45.90 3i69 s LEU 50 CO 0.66 -0.37 1.84 -0.03 0.23 0.00 0.00 176.35 178.68 3i69 h MET 51 N 7.56 0.45 -0.10 1.70 1.85 -1.87 -1.18 114.93 123.35 3i69 h MET 51 Ca -0.06 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 58.98 3i69 h MET 51 Cb 1.01 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.92 3i69 h MET 51 CO 0.53 0.30 -0.13 1.19 -0.40 0.00 0.00 176.91 178.40 3i69 n PHE 52 N -4.55 0.33 -1.08 1.39 3.72 -1.26 -4.98 117.46 111.03 3i69 n PHE 52 Ca 0.20 -1.18 -0.03 0.00 -0.05 0.00 0.00 57.45 56.40 3i69 n PHE 52 Cb 0.69 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 3i69 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i69 n GLN 53 N -1.15 -0.93 -4.24 -1.08 6.02 -0.45 -4.99 117.38 110.55 3i69 n GLN 53 Ca 0.20 0.41 -0.19 0.00 -0.01 0.00 0.00 57.00 57.40 3i69 n GLN 53 Cb 0.75 -4.21 -0.12 0.00 1.02 0.00 0.00 30.24 27.68 3i69 n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i69 s GLN 54 N -1.47 0.89 0.43 -1.09 -0.21 -1.26 -4.91 119.66 112.03 3i69 s GLN 54 Ca 0.00 -0.92 0.02 0.00 0.02 0.00 0.00 55.36 54.48 3i69 s GLN 54 Cb 0.00 -0.93 -0.00 0.00 1.00 0.00 0.00 33.01 33.08 3i69 s GLN 54 CO 0.00 0.21 0.63 0.14 -2.12 0.00 0.00 175.29 174.15 3i69 s VAL 55 N -1.13 3.96 0.28 1.09 -7.23 -1.26 -4.61 120.40 111.51 3i69 s VAL 55 Ca -0.00 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 3i69 s VAL 55 Cb -0.09 -3.44 -0.13 0.00 0.56 0.00 0.00 36.38 33.27 3i69 s VAL 55 CO 0.02 -0.28 1.22 -2.65 -0.31 0.00 0.00 175.10 173.11 3i69 n PRO 56 N -1.99 1.77 -4.48 4.82 -0.02 -1.26 -4.97 135.00 128.86 3i69 n PRO 56 Ca 0.01 0.62 -0.22 0.00 -2.02 0.00 0.00 63.50 61.89 3i69 n PRO 56 Cb 0.58 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.75 3i69 n PRO 56 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3i69 s MET 57 N -1.23 1.28 -0.12 -0.52 1.75 -1.12 -4.00 119.30 115.34 3i69 s MET 57 Ca 0.62 -0.35 0.02 0.00 -1.25 0.00 0.00 55.69 54.72 3i69 s MET 57 Cb -0.66 -1.13 -0.00 0.00 2.84 0.00 0.00 34.83 35.87 3i69 s MET 57 CO 0.57 0.08 -0.20 0.08 -0.65 0.00 0.00 175.02 174.90 3i69 s VAL 58 N 0.40 2.41 -0.30 10.11 1.01 -0.34 -1.04 120.40 132.65 3i69 s VAL 58 Ca -0.08 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 3i69 s VAL 58 Cb -0.12 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 3i69 s VAL 58 CO 0.02 0.54 0.80 -1.61 0.00 0.00 0.00 175.10 174.85 3i69 s GLU 59 N 0.41 4.00 -0.20 2.72 2.02 -0.65 -1.65 118.70 125.35 3i69 s GLU 59 Ca -0.15 0.65 -0.15 0.00 0.02 0.00 0.00 54.97 55.34 3i69 s GLU 59 Cb -0.17 -3.72 0.06 0.00 0.10 0.00 0.00 34.13 30.40 3i69 s GLU 59 CO 0.07 -0.66 0.51 -1.50 0.02 0.00 0.00 175.26 173.70 3i69 s ILE 60 N 2.96 -0.01 -1.66 -1.63 2.07 -0.83 -1.74 121.20 120.36 3i69 s ILE 60 Ca 0.33 0.03 -0.08 0.00 -1.41 0.00 0.00 60.65 59.51 3i69 s ILE 60 Cb -0.14 -0.73 0.08 0.00 0.13 0.00 0.00 42.46 41.80 3i69 s ILE 60 CO 0.12 0.01 0.22 0.47 -1.91 0.00 0.00 174.94 173.85 3i69 n ASP 61 N 3.42 -0.07 -0.17 4.50 8.00 -1.26 -1.03 116.55 129.94 3i69 n ASP 61 Ca -0.17 -1.26 -0.02 0.00 0.71 0.00 0.00 54.79 54.05 3i69 n ASP 61 Cb 0.56 -1.64 -0.01 0.00 -0.02 0.00 0.00 41.12 40.01 3i69 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i69 n GLY 62 N -2.05 0.56 3.38 0.44 0.00 -1.26 -5.03 105.19 101.24 3i69 n GLY 62 Ca -0.17 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3i69 n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i69 s MET 63 N -1.40 1.74 -0.88 1.61 -1.94 -0.20 -5.07 119.30 113.16 3i69 s MET 63 Ca 0.00 -1.15 -0.11 0.00 -1.71 0.00 0.00 55.69 52.71 3i69 s MET 63 Cb 0.00 -2.00 0.23 0.00 2.01 0.00 0.00 34.83 35.07 3i69 s MET 63 CO 0.00 0.50 0.83 0.15 -0.01 0.00 0.00 175.02 176.49 3i69 s LYS 64 N -1.53 3.65 -0.21 2.03 1.02 -1.26 -1.96 119.74 121.48 3i69 s LYS 64 Ca 0.13 -2.70 -0.25 0.00 0.02 0.00 0.00 55.97 53.18 3i69 s LYS 64 Cb -0.10 -4.38 -0.01 0.00 -0.52 0.00 0.00 37.83 32.82 3i69 s LYS 64 CO 0.04 -1.27 0.82 -0.51 -0.92 0.00 0.00 175.35 173.51 3i69 s LEU 65 N -0.28 4.12 0.56 3.17 1.43 -0.66 -4.86 118.68 122.16 3i69 s LEU 65 Ca 0.21 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.44 3i69 s LEU 65 Cb -0.11 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.98 3i69 s LEU 65 CO -0.08 -0.46 0.44 0.68 0.23 0.00 0.00 176.35 177.16 3i69 s VAL 66 N 2.52 1.60 -0.04 -1.59 -7.23 -1.26 -1.20 120.40 113.19 3i69 s VAL 66 Ca 0.36 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 3i69 s VAL 66 Cb -0.16 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.73 3i69 s VAL 66 CO 0.09 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 174.95 3i69 n GLN 67 N -1.82 -2.53 -0.28 4.82 1.13 -1.26 -4.40 117.38 113.03 3i69 n GLN 67 Ca -0.01 2.11 0.07 0.00 -1.94 0.00 0.00 57.00 57.23 3i69 n GLN 67 Cb 0.64 -2.88 0.18 0.00 0.11 0.00 0.00 30.24 28.29 3i69 n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3i69 h THR 68 N 2.15 0.25 -0.14 5.09 2.02 -1.92 0.37 112.91 120.73 3i69 h THR 68 Ca -0.15 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 3i69 h THR 68 Cb 0.33 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3i69 h THR 68 CO 0.00 0.01 -0.16 0.03 0.37 0.00 0.00 175.52 175.78 3i69 h ARG 69 N 0.08 0.22 0.30 6.66 3.08 -1.98 0.18 114.38 122.93 3i69 h ARG 69 Ca 0.45 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 3i69 h ARG 69 Cb 0.82 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3i69 h ARG 69 CO -0.74 0.39 -0.21 0.00 -1.07 0.00 0.00 179.97 178.34 3i69 h ALA 70 N 1.63 -0.49 0.45 0.04 0.00 -0.51 0.22 119.26 120.59 3i69 h ALA 70 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i69 h ALA 70 Cb 0.41 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3i69 h ALA 70 CO 0.03 -0.79 -0.33 0.82 0.00 0.00 0.00 179.25 178.97 3i69 h ILE 71 N -0.51 0.00 -0.31 0.00 2.04 -0.93 -1.31 117.51 116.49 3i69 h ILE 71 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3i69 h ILE 71 Cb 0.43 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 3i69 h ILE 71 CO 0.01 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.94 3i69 h LEU 72 N -0.74 -0.51 -0.38 1.44 3.38 -1.02 -0.96 115.31 116.52 3i69 h LEU 72 Ca -0.06 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3i69 h LEU 72 Cb 0.61 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 3i69 h LEU 72 CO 0.02 -0.19 -0.17 0.78 0.09 0.00 0.00 178.44 178.98 3i69 h ASN 73 N -0.10 -0.57 0.28 -0.43 4.21 -0.83 0.39 115.58 118.53 3i69 h ASN 73 Ca 0.16 0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.82 3i69 h ASN 73 Cb 0.35 0.32 -0.03 0.00 -1.12 0.00 0.00 38.32 37.84 3i69 h ASN 73 CO -0.38 -0.20 -0.36 0.22 -1.29 0.00 0.00 177.43 175.42 3i69 h TYR 74 N -0.10 -0.99 0.05 1.19 3.20 -0.59 -0.95 116.97 118.77 3i69 h TYR 74 Ca 0.19 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 3i69 h TYR 74 Cb 0.38 0.40 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 3i69 h TYR 74 CO -0.40 -0.50 -0.46 0.82 -1.64 0.00 0.00 178.16 175.98 3i69 h ILE 75 N -0.70 0.09 -0.98 1.81 2.04 -0.48 0.17 117.51 119.47 3i69 h ILE 75 Ca -0.01 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.11 3i69 h ILE 75 Cb 0.66 0.09 -0.13 0.00 -0.74 0.00 0.00 36.82 36.70 3i69 h ILE 75 CO -0.11 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.57 3i69 h ALA 76 N -0.23 1.74 -0.01 1.87 0.00 -0.17 -1.87 119.26 120.60 3i69 h ALA 76 Ca 0.03 0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3i69 h ALA 76 Cb 0.70 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3i69 h ALA 76 CO -0.31 -0.36 -0.56 1.03 0.00 0.00 0.00 179.25 179.05 3i69 h SER 77 N 0.47 0.50 -0.83 0.00 0.87 -0.15 0.91 113.55 115.32 3i69 h SER 77 Ca 0.65 -0.76 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3i69 h SER 77 Cb 1.30 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 63.06 3i69 h SER 77 CO -0.53 1.19 0.55 0.50 -0.53 0.00 0.00 176.83 178.02 3i69 h LYS 78 N -0.14 1.01 -0.48 2.24 3.64 -0.09 -3.08 116.57 119.68 3i69 h LYS 78 Ca -0.07 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.09 3i69 h LYS 78 Cb 1.28 -0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 32.77 3i69 h LYS 78 CO 0.11 0.67 0.10 0.66 -2.27 0.00 0.00 179.45 178.72 3i69 n TYR 79 N -4.44 1.56 -3.78 1.91 4.01 -0.76 -4.96 117.16 110.70 3i69 n TYR 79 Ca 0.11 -1.29 -0.27 0.00 -0.16 0.00 0.00 57.90 56.29 3i69 n TYR 79 Cb 0.10 -0.53 0.04 0.00 -0.31 0.00 0.00 39.34 38.65 3i69 n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i69 n ASN 80 N -0.69 -4.61 -0.80 7.72 3.02 -1.16 -4.89 115.26 113.85 3i69 n ASN 80 Ca 0.34 -0.71 0.07 0.00 -0.03 0.00 0.00 54.58 54.25 3i69 n ASN 80 Cb 1.14 -4.27 0.24 0.00 -0.61 0.00 0.00 39.78 36.27 3i69 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i69 n LEU 81 N -4.69 3.69 -1.60 3.41 4.77 0.30 -4.65 117.00 118.23 3i69 n LEU 81 Ca -0.03 -3.11 -0.08 0.00 -0.03 0.00 0.00 56.01 52.75 3i69 n LEU 81 Cb 0.56 -0.54 0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3i69 n LEU 81 CO 0.71 0.74 0.21 0.00 -1.33 0.00 0.00 177.39 177.72 3i69 n TYR 82 N -0.71 1.40 -4.52 -1.77 4.19 -1.15 -0.12 117.16 114.47 3i69 n TYR 82 Ca 0.22 -1.81 0.00 0.00 3.31 0.00 0.00 57.90 59.62 3i69 n TYR 82 Cb 0.87 -0.28 0.00 0.00 0.49 0.00 0.00 39.34 40.43 3i69 n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3i69 n GLY 83 N -0.72 -0.99 0.00 2.98 0.00 -1.26 -4.53 105.19 100.67 3i69 n GLY 83 Ca 0.28 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3i69 n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i69 n LYS 84 N -0.61 2.39 -4.29 1.61 2.85 -1.26 -5.00 118.16 113.85 3i69 n LYS 84 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 3i69 n LYS 84 Cb 0.00 -0.83 -0.08 0.00 -0.65 0.00 0.00 35.03 33.47 3i69 n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3i69 s ASP 85 N -1.91 1.57 0.30 -5.58 1.47 -1.26 -5.05 116.67 106.20 3i69 s ASP 85 Ca 0.00 -1.71 -0.01 0.00 1.18 0.00 0.00 52.55 52.01 3i69 s ASP 85 Cb 0.00 0.53 0.47 0.00 -0.34 0.00 0.00 42.92 43.58 3i69 s ASP 85 CO 0.00 -1.02 1.93 -0.29 0.68 0.00 0.00 175.17 176.46 3i69 h ILE 86 N 2.17 1.21 -0.12 2.11 2.10 -1.99 -2.05 117.51 120.95 3i69 h ILE 86 Ca -0.27 -0.51 -0.16 0.00 1.08 0.00 0.00 64.86 65.00 3i69 h ILE 86 Cb 1.24 0.26 -0.01 0.00 -1.09 0.00 0.00 36.82 37.22 3i69 h ILE 86 CO 0.40 0.23 -0.61 0.11 -1.08 0.00 0.00 178.15 177.20 3i69 h LYS 87 N 0.96 0.40 0.00 2.19 1.57 -1.99 -1.12 116.57 118.59 3i69 h LYS 87 Ca 0.25 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3i69 h LYS 87 Cb 0.02 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3i69 h LYS 87 CO -0.04 0.89 -0.31 0.93 -0.57 0.00 0.00 179.45 180.35 3i69 h GLU 88 N 0.30 0.00 0.00 3.15 5.08 -1.82 -2.13 114.58 119.15 3i69 h GLU 88 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3i69 h GLU 88 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3i69 h GLU 88 CO 0.10 0.31 -0.57 0.00 -1.00 0.00 0.00 179.01 177.86 3i69 h ARG 89 N 0.00 0.00 0.09 2.33 3.08 -1.03 -2.01 114.38 116.84 3i69 h ARG 89 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i69 h ARG 89 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3i69 h ARG 89 CO 0.04 0.57 -0.05 0.00 -1.07 0.00 0.00 179.97 179.46 3i69 h ALA 90 N 1.43 -0.13 -0.32 0.04 0.00 -0.79 -1.90 119.26 117.60 3i69 h ALA 90 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3i69 h ALA 90 Cb 1.41 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3i69 h ALA 90 CO 0.07 -0.35 0.14 -0.07 0.00 0.00 0.00 179.25 179.04 3i69 h LEU 91 N -0.57 0.18 -1.23 0.00 3.38 -1.47 -2.08 115.31 113.53 3i69 h LEU 91 Ca -0.01 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i69 h LEU 91 Cb 0.47 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3i69 h LEU 91 CO 0.02 0.14 0.53 0.40 0.09 0.00 0.00 178.44 179.63 3i69 h ILE 92 N 0.29 1.16 -0.29 1.22 2.04 -1.37 -1.98 117.51 118.59 3i69 h ILE 92 Ca 0.14 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.50 3i69 h ILE 92 Cb 0.08 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 3i69 h ILE 92 CO -0.12 0.19 -0.36 0.44 0.00 0.00 0.00 178.15 178.30 3i69 h ASP 93 N 1.04 0.82 -0.53 1.72 3.32 -1.06 -1.48 116.42 120.25 3i69 h ASP 93 Ca 0.31 -0.49 0.05 0.00 0.02 0.00 0.00 57.03 56.91 3i69 h ASP 93 Cb -0.04 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 3i69 h ASP 93 CO -0.08 1.15 0.27 0.24 -1.72 0.00 0.00 179.24 179.10 3i69 h MET 94 N 0.51 0.50 0.14 3.56 2.86 -0.96 -2.03 114.93 119.52 3i69 h MET 94 Ca 0.04 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3i69 h MET 94 Cb 0.95 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3i69 h MET 94 CO 0.09 0.33 -0.07 1.88 1.06 0.00 0.00 176.91 180.20 3i69 h TYR 95 N 0.52 -0.18 0.00 -0.22 0.05 -1.27 -2.70 116.97 113.18 3i69 h TYR 95 Ca 0.23 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 3i69 h TYR 95 Cb 0.14 0.06 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 3i69 h TYR 95 CO -0.10 0.15 -0.15 -0.84 -1.05 0.00 0.00 178.16 176.17 3i69 h ILE 96 N -0.52 0.35 -0.01 -2.88 3.07 -1.21 -1.68 117.51 114.63 3i69 h ILE 96 Ca -0.02 -1.00 -0.24 0.00 1.55 0.00 0.00 64.86 65.15 3i69 h ILE 96 Cb 0.41 1.76 0.01 0.00 -0.27 0.00 0.00 36.82 38.73 3i69 h ILE 96 CO 0.03 0.15 -0.95 -0.33 -1.05 0.00 0.00 178.15 176.00 3i69 h GLU 97 N 0.00 0.53 -0.62 0.16 4.39 -1.36 -0.71 114.58 116.97 3i69 h GLU 97 Ca -0.00 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 3i69 h GLU 97 Cb 0.75 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 3i69 h GLU 97 CO 0.02 1.18 0.35 0.78 -1.16 0.00 0.00 179.01 180.18 3i69 h GLY 98 N 0.94 0.92 1.52 -3.84 0.00 -1.08 -0.64 103.07 100.89 3i69 h GLY 98 Ca -0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 3i69 h GLY 98 CO 0.17 0.39 0.00 -2.22 0.00 0.00 0.00 176.54 174.89 3i69 h ILE 99 N 0.84 1.21 0.00 2.60 2.04 -1.28 -2.54 117.51 120.38 3i69 h ILE 99 Ca 0.22 -0.84 -0.17 0.00 1.00 0.00 0.00 64.86 65.07 3i69 h ILE 99 Cb 0.02 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3i69 h ILE 99 CO -0.04 0.29 -0.81 0.00 0.00 0.00 0.00 178.15 177.59 3i69 h ALA 100 N 1.44 0.50 -0.56 1.87 0.00 -0.82 -0.72 119.26 120.97 3i69 h ALA 100 Ca 0.12 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 3i69 h ALA 100 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3i69 h ALA 100 CO 0.01 1.01 0.23 -0.44 0.00 0.00 0.00 179.25 180.06 3i69 h ASP 101 N 0.00 0.77 -0.04 0.00 5.19 -0.99 -0.82 116.42 120.52 3i69 h ASP 101 Ca -0.01 -0.17 -0.25 0.00 -0.62 0.00 0.00 57.03 55.98 3i69 h ASP 101 Cb 1.59 -0.20 0.02 0.00 0.18 0.00 0.00 39.33 40.92 3i69 h ASP 101 CO 0.11 0.73 -0.95 0.25 -3.12 0.00 0.00 179.24 176.25 3i69 h LEU 102 N 0.77 0.92 -1.35 1.55 5.85 -1.44 -3.17 115.31 118.44 3i69 h LEU 102 Ca 0.19 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 3i69 h LEU 102 Cb 0.19 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3i69 h LEU 102 CO -0.02 1.49 0.29 1.23 -0.34 0.00 0.00 178.44 181.10 3i69 h GLY 103 N 0.47 0.79 0.56 3.75 0.00 -1.16 -2.62 103.07 104.85 3i69 h GLY 103 Ca -0.10 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 46.94 3i69 h GLY 103 CO 0.19 0.32 -0.02 -2.09 0.00 0.00 0.00 176.54 174.94 3i69 h GLU 104 N 0.75 0.05 0.04 4.80 4.57 -1.14 0.92 114.58 124.55 3i69 h GLU 104 Ca 0.19 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3i69 h GLU 104 Cb 0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3i69 h GLU 104 CO -0.03 0.03 -0.02 0.52 -1.18 0.00 0.00 179.01 178.33 3i69 h MET 105 N 0.05 -0.05 -0.48 1.92 2.86 -1.45 -0.84 114.93 116.94 3i69 h MET 105 Ca 0.12 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 3i69 h MET 105 Cb 0.17 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3i69 h MET 105 CO -0.23 -0.03 0.32 0.82 1.06 0.00 0.00 176.91 178.86 3i69 h ILE 106 N -0.05 1.05 0.13 -1.22 2.04 -1.33 -1.11 117.51 117.02 3i69 h ILE 106 Ca -0.00 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3i69 h ILE 106 Cb 0.04 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3i69 h ILE 106 CO 0.01 0.10 -0.06 0.40 0.00 0.00 0.00 178.15 178.60 3i69 h ILE 107 N 0.55 1.02 0.00 -0.67 2.04 -0.25 -3.24 117.51 116.96 3i69 h ILE 107 Ca 0.19 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3i69 h ILE 107 Cb 0.09 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3i69 h ILE 107 CO -0.05 0.16 0.00 0.24 0.00 0.00 0.00 178.15 178.50 3i69 h MET 108 N -0.49 0.00 -0.56 2.37 2.86 -0.90 -3.36 114.93 114.85 3i69 h MET 108 Ca -0.02 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3i69 h MET 108 Cb 0.39 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 3i69 h MET 108 CO 0.03 0.00 0.29 1.25 1.06 0.00 0.00 176.91 179.54 3i69 h LEU 109 N 0.00 0.42 0.00 1.22 5.85 -1.23 -2.44 115.31 119.13 3i69 h LEU 109 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3i69 h LEU 109 Cb 0.42 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3i69 h LEU 109 CO 0.00 0.28 0.00 -2.65 -0.34 0.00 0.00 178.44 175.73 3i69 n PRO 110 N -4.86 0.32 -0.14 5.25 -0.02 -1.26 -1.71 135.00 132.58 3i69 n PRO 110 Ca 0.06 0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.64 3i69 n PRO 110 Cb 0.15 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.26 3i69 n PRO 110 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i69 n PHE 111 N -1.09 0.37 -1.99 6.00 3.01 -0.92 -5.01 117.46 117.82 3i69 n PHE 111 Ca 0.08 -0.45 -0.37 0.00 1.01 0.00 0.00 57.45 57.72 3i69 n PHE 111 Cb 0.06 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.53 3i69 n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i69 s PRO 113 N -2.99 4.18 0.38 0.00 0.02 -1.26 -4.81 135.00 130.52 3i69 s PRO 113 Ca 0.71 2.44 0.20 0.00 0.02 0.00 0.00 61.00 64.38 3i69 s PRO 113 Cb -0.34 -3.20 1.24 0.00 0.02 0.00 0.00 34.50 32.22 3i69 s PRO 113 CO 0.39 -0.68 1.64 -1.35 -0.33 0.00 0.00 177.00 176.67 3i69 h PRO 114 N 7.07 0.18 -0.83 5.54 0.11 -1.98 0.36 132.00 142.44 3i69 h PRO 114 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i69 h PRO 114 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i69 h PRO 114 CO 0.93 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.99 3i69 n GLU 115 N -4.98 0.71 0.00 1.05 0.00 -1.26 -3.59 120.64 112.57 3i69 n GLU 115 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.50 3i69 n GLU 115 Cb 1.17 -1.31 0.00 0.00 0.00 0.00 0.00 31.44 31.30 3i69 n GLU 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3i69 n GLU 116 N 0.25 0.00 0.00 3.44 1.02 0.12 -4.93 120.64 120.55 3i69 n GLU 116 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i69 n GLU 116 Cb 0.22 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 3i69 n GLU 116 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i69 n LYS 117 N -1.83 0.00 -0.27 3.49 5.02 -1.15 0.14 118.16 123.56 3i69 n LYS 117 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 3i69 n LYS 117 Cb 0.03 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.19 3i69 n LYS 117 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3i69 h ASP 118 N 0.00 0.60 1.17 4.39 3.32 -1.92 0.53 116.42 124.51 3i69 h ASP 118 Ca 0.00 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3i69 h ASP 118 Cb 0.00 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3i69 h ASP 118 CO 0.00 0.35 -0.11 0.00 -1.72 0.00 0.00 179.24 177.76 3i69 h ALA 119 N 1.43 0.99 0.00 3.45 0.00 0.78 0.37 119.26 126.28 3i69 h ALA 119 Ca 0.37 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 3i69 h ALA 119 Cb 0.32 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3i69 h ALA 119 CO -0.24 0.14 -2.22 1.17 0.00 0.00 0.00 179.25 178.10 3i69 n LYS 120 N -3.21 0.68 -0.25 0.00 4.81 -0.78 -3.21 118.16 116.20 3i69 n LYS 120 Ca 0.01 0.01 -0.07 0.00 -0.87 0.00 0.00 58.31 57.39 3i69 n LYS 120 Cb 0.41 -1.56 0.05 0.00 0.02 0.00 0.00 35.03 33.94 3i69 n LYS 120 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3i69 h LEU 121 N 0.00 1.00 -0.18 3.14 5.85 0.09 -1.83 115.31 123.38 3i69 h LEU 121 Ca -0.44 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 3i69 h LEU 121 Cb 2.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 3i69 h LEU 121 CO 0.03 0.93 0.08 0.00 -0.34 0.00 0.00 178.44 179.14 3i69 h ALA 122 N 1.11 0.23 -0.51 1.25 0.00 -1.06 -1.29 119.26 119.00 3i69 h ALA 122 Ca 0.23 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3i69 h ALA 122 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i69 h ALA 122 CO -0.01 -0.19 0.02 1.25 0.00 0.00 0.00 179.25 180.32 3i69 h LEU 123 N 0.15 0.80 0.21 0.00 5.85 -1.53 0.21 115.31 121.00 3i69 h LEU 123 Ca 0.06 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3i69 h LEU 123 Cb 0.15 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3i69 h LEU 123 CO -0.01 0.86 -0.10 0.40 -0.34 0.00 0.00 178.44 179.25 3i69 h ILE 124 N 0.78 0.84 -0.79 4.05 2.04 -1.22 -0.24 117.51 122.98 3i69 h ILE 124 Ca 0.15 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.83 3i69 h ILE 124 Cb 0.45 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3i69 h ILE 124 CO 0.02 0.06 0.52 0.11 0.00 0.00 0.00 178.15 178.86 3i69 h LYS 125 N -0.42 0.73 0.04 2.37 1.57 -0.97 0.12 116.57 120.00 3i69 h LYS 125 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3i69 h LYS 125 Cb 0.32 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3i69 h LYS 125 CO 0.05 0.48 -0.02 1.49 -0.57 0.00 0.00 179.45 180.88 3i69 h GLU 126 N 0.75 -0.05 -0.50 3.15 4.22 -0.65 -2.16 114.58 119.34 3i69 h GLU 126 Ca 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.77 3i69 h GLU 126 Cb 0.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3i69 h GLU 126 CO -0.14 0.19 0.18 0.87 -2.18 0.00 0.00 179.01 177.94 3i69 h LYS 127 N -0.28 0.73 -0.26 1.92 1.57 -0.34 -0.20 116.57 119.70 3i69 h LYS 127 Ca -0.00 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3i69 h LYS 127 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3i69 h LYS 127 CO 0.01 0.62 0.08 0.82 -0.57 0.00 0.00 179.45 180.40 3i69 h ILE 128 N 0.72 1.20 -0.06 1.86 2.04 -0.69 0.15 117.51 122.74 3i69 h ILE 128 Ca 0.17 -0.65 -0.17 0.00 1.00 0.00 0.00 64.86 65.21 3i69 h ILE 128 Cb 0.17 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3i69 h ILE 128 CO -0.01 0.21 -0.71 0.50 0.00 0.00 0.00 178.15 178.14 3i69 h LYS 129 N 0.26 0.30 0.00 2.37 3.64 -1.01 -2.52 116.57 119.60 3i69 h LYS 129 Ca 0.08 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3i69 h LYS 129 Cb 0.25 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3i69 h LYS 129 CO -0.00 0.89 -1.25 0.09 -2.27 0.00 0.00 179.45 176.90 3i69 n ASN 130 N -3.82 2.71 0.01 4.20 3.02 -0.12 -4.51 115.26 116.75 3i69 n ASN 130 Ca -0.03 -0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.42 3i69 n ASN 130 Cb 0.69 1.34 -0.00 0.00 -0.61 0.00 0.00 39.78 41.19 3i69 n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i69 n ARG 131 N -1.71 0.04 0.03 3.52 0.63 0.39 -4.80 116.66 114.75 3i69 n ARG 131 Ca -0.01 0.02 -0.19 0.00 -0.92 0.00 0.00 57.85 56.75 3i69 n ARG 131 Cb 0.21 -0.34 -0.14 0.00 0.45 0.00 0.00 32.46 32.65 3i69 n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i69 h TYR 132 N -0.08 0.51 -0.21 -0.14 0.05 -1.28 -2.88 116.97 112.94 3i69 h TYR 132 Ca 0.00 -0.35 -0.07 0.00 0.05 0.00 0.00 58.73 58.37 3i69 h TYR 132 Cb 0.08 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 3i69 h TYR 132 CO -0.03 1.23 -0.13 0.74 -1.05 0.00 0.00 178.16 178.92 3i69 h PHE 133 N -0.35 0.53 -0.92 4.88 -1.00 -1.68 -2.75 116.94 115.64 3i69 h PHE 133 Ca -0.11 -0.14 0.17 0.00 2.81 0.00 0.00 57.97 60.70 3i69 h PHE 133 Cb 1.50 -0.12 -0.08 0.00 3.61 0.00 0.00 35.95 40.86 3i69 h PHE 133 CO 0.19 0.76 0.59 -1.35 -1.61 0.00 0.00 178.31 176.89 3i69 h PRO 134 N 0.15 0.63 0.26 1.51 0.11 -1.77 -1.37 132.00 131.52 3i69 h PRO 134 Ca 0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3i69 h PRO 134 Cb 0.63 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3i69 h PRO 134 CO 0.04 0.41 -0.13 0.00 -0.21 0.00 0.00 178.00 178.11 3i69 h ALA 135 N 1.61 -0.35 -0.05 -0.75 0.00 -1.34 -2.54 119.26 115.84 3i69 h ALA 135 Ca 0.48 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 3i69 h ALA 135 Cb 0.87 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3i69 h ALA 135 CO -0.24 -0.59 -0.82 0.74 0.00 0.00 0.00 179.25 178.35 3i69 h PHE 136 N -0.57 0.59 -0.67 0.00 0.04 -1.36 -2.54 116.94 112.43 3i69 h PHE 136 Ca -0.04 -0.29 0.11 0.00 2.80 0.00 0.00 57.97 60.55 3i69 h PHE 136 Cb 0.42 -0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.41 3i69 h PHE 136 CO -0.00 1.07 0.26 1.49 -0.60 0.00 0.00 178.31 180.54 3i69 h GLU 137 N 0.27 0.43 -0.26 1.51 4.57 -1.34 -1.90 114.58 117.85 3i69 h GLU 137 Ca -0.05 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3i69 h GLU 137 Cb 1.42 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 3i69 h GLU 137 CO 0.14 0.28 0.10 -0.22 -1.18 0.00 0.00 179.01 178.13 3i69 h LYS 138 N 0.44 0.40 -0.56 1.92 3.64 -1.26 0.29 116.57 121.45 3i69 h LYS 138 Ca 0.34 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.76 3i69 h LYS 138 Cb 0.45 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.12 3i69 h LYS 138 CO -0.33 0.45 0.01 0.28 -2.27 0.00 0.00 179.45 177.58 3i69 h VAL 139 N 0.27 0.55 -0.24 2.00 2.07 -1.18 0.29 116.25 120.02 3i69 h VAL 139 Ca 0.09 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 3i69 h VAL 139 Cb 0.20 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3i69 h VAL 139 CO -0.01 0.02 -0.41 -0.07 0.02 0.00 0.00 177.57 177.12 3i69 h LEU 140 N 0.13 0.61 -1.11 2.57 3.38 -1.05 -3.04 115.31 116.79 3i69 h LEU 140 Ca 0.29 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3i69 h LEU 140 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3i69 h LEU 140 CO -0.47 0.95 0.02 0.50 0.09 0.00 0.00 178.44 179.52 3i69 h LYS 141 N 0.47 0.64 0.10 1.13 1.63 0.51 -2.63 116.57 118.42 3i69 h LYS 141 Ca 0.04 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3i69 h LYS 141 Cb 0.92 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 3i69 h LYS 141 CO 0.08 0.65 -0.05 0.77 -3.45 0.00 0.00 179.45 177.45 3i69 h SER 142 N 0.61 -0.12 0.20 4.20 0.02 -0.86 -3.31 113.55 114.30 3i69 h SER 142 Ca 0.13 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3i69 h SER 142 Cb 0.36 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3i69 h SER 142 CO 0.01 0.48 -0.37 0.00 -1.14 0.00 0.00 176.83 175.82 3i69 n HIS 143 N -4.86 0.00 -0.90 3.45 1.44 -1.22 -4.97 115.22 108.16 3i69 n HIS 143 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 3i69 n HIS 143 Cb 0.28 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.29 3i69 n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i69 n GLY 144 N 1.38 0.22 3.94 -1.39 0.00 -0.99 -4.97 105.19 103.38 3i69 n GLY 144 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3i69 n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i69 s GLN 145 N -1.11 3.48 0.24 1.61 -0.21 -1.26 -4.99 119.66 117.42 3i69 s GLN 145 Ca 0.00 -0.24 0.19 0.00 0.02 0.00 0.00 55.36 55.34 3i69 s GLN 145 Cb 0.00 -2.60 0.93 0.00 1.00 0.00 0.00 33.01 32.33 3i69 s GLN 145 CO 0.00 0.07 1.59 -0.25 -2.12 0.00 0.00 175.29 174.58 3i69 n ASP 146 N -1.89 0.50 -4.09 5.90 8.00 -1.26 -4.79 116.55 118.92 3i69 n ASP 146 Ca -0.04 0.68 -0.10 0.00 0.71 0.00 0.00 54.79 56.04 3i69 n ASP 146 Cb 0.56 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 40.79 3i69 n ASP 146 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i69 s TYR 147 N -3.35 0.63 0.23 1.24 2.02 -1.26 -4.95 117.35 111.90 3i69 s TYR 147 Ca 0.01 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 55.92 3i69 s TYR 147 Cb 0.07 -0.40 0.24 0.00 -0.40 0.00 0.00 41.96 41.48 3i69 s TYR 147 CO 0.26 -0.20 1.62 -0.07 -1.57 0.00 0.00 175.55 175.59 3i69 h LEU 148 N 3.71 0.61 -7.52 -1.29 3.38 -1.86 -3.42 115.31 108.92 3i69 h LEU 148 Ca -0.34 -0.25 -0.32 0.00 0.09 0.00 0.00 57.88 57.05 3i69 h LEU 148 Cb 1.18 -0.17 -0.35 0.00 0.09 0.00 0.00 40.66 41.41 3i69 h LEU 148 CO 0.55 0.91 -0.74 -0.69 0.09 0.00 0.00 178.44 178.56 3i69 s VAL 149 N -4.36 -0.00 -0.75 1.22 1.01 -1.26 -4.91 120.40 111.34 3i69 s VAL 149 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3i69 s VAL 149 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.37 3i69 s VAL 149 CO 0.82 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.65 3i69 n GLY 150 N 4.30 0.37 3.79 4.51 0.00 -1.26 -3.46 105.19 113.45 3i69 n GLY 150 Ca -0.25 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 3i69 n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i69 n ASN 151 N 0.53 -1.48 -3.63 1.61 5.15 -1.26 -4.92 115.26 111.26 3i69 n ASN 151 Ca -0.09 -0.75 -0.12 0.00 -0.60 0.00 0.00 54.58 53.02 3i69 n ASN 151 Cb 0.47 -1.32 -0.06 0.00 -0.53 0.00 0.00 39.78 38.34 3i69 n ASN 151 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3i69 s LYS 152 N -6.15 0.99 0.21 1.20 -2.85 -1.22 -4.92 119.74 107.00 3i69 s LYS 152 Ca 0.58 -0.42 -0.32 0.00 -1.00 0.00 0.00 55.97 54.80 3i69 s LYS 152 Cb -0.34 0.44 -0.14 0.00 -2.06 0.00 0.00 37.83 35.73 3i69 s LYS 152 CO 0.71 -0.36 1.31 -0.11 0.10 0.00 0.00 175.35 177.00 3i69 n LEU 153 N 0.27 2.45 -4.13 2.77 7.94 -1.26 -4.61 117.00 120.43 3i69 n LEU 153 Ca -0.18 1.14 -0.11 0.00 -1.11 0.00 0.00 56.01 55.75 3i69 n LEU 153 Cb 0.61 -1.34 -0.08 0.00 0.53 0.00 0.00 43.42 43.14 3i69 n LEU 153 CO 0.19 -0.82 -0.09 -0.94 -1.11 0.00 0.00 177.39 174.62 3i69 s SER 154 N 0.19 0.12 0.39 1.96 1.04 -1.26 -4.80 113.70 111.34 3i69 s SER 154 Ca 0.71 -1.25 0.14 0.00 0.48 0.00 0.00 55.95 56.03 3i69 s SER 154 Cb -0.74 0.46 0.99 0.00 0.10 0.00 0.00 66.02 66.83 3i69 s SER 154 CO 0.50 -0.95 1.85 0.08 0.98 0.00 0.00 173.24 175.70 3i69 h ARG 155 N 2.48 0.49 -0.62 4.02 0.11 -0.90 -1.39 114.38 118.56 3i69 h ARG 155 Ca -0.32 -0.03 0.12 0.00 0.10 0.00 0.00 59.98 59.85 3i69 h ARG 155 Cb 1.25 -0.11 -0.12 0.00 1.11 0.00 0.00 29.97 32.10 3i69 h ARG 155 CO 0.47 0.33 -0.24 0.00 0.10 0.00 0.00 179.97 180.63 3i69 h ALA 156 N 1.61 0.23 -0.87 0.08 0.00 -1.88 0.25 119.26 118.68 3i69 h ALA 156 Ca 0.48 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.63 3i69 h ALA 156 Cb 1.05 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 3i69 h ALA 156 CO -0.21 -0.53 0.57 -0.44 0.00 0.00 0.00 179.25 178.64 3i69 h ASP 157 N -0.08 0.98 -0.26 0.00 3.32 -1.66 -1.44 116.42 117.28 3i69 h ASP 157 Ca 0.28 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 3i69 h ASP 157 Cb 0.52 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3i69 h ASP 157 CO -0.67 0.69 -0.37 0.40 -1.72 0.00 0.00 179.24 177.57 3i69 h ILE 158 N 1.15 1.30 -0.49 0.35 1.08 -0.94 -2.33 117.51 117.63 3i69 h ILE 158 Ca 0.33 -1.56 -0.11 0.00 -0.39 0.00 0.00 64.86 63.13 3i69 h ILE 158 Cb -0.08 1.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 3i69 h ILE 158 CO -0.09 0.50 -0.12 0.45 -0.69 0.00 0.00 178.15 178.20 3i69 h HIS 159 N 0.45 1.02 -0.15 1.37 3.86 -0.43 -2.70 115.15 118.56 3i69 h HIS 159 Ca 0.03 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 3i69 h HIS 159 Cb 0.96 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.17 3i69 h HIS 159 CO 0.08 0.97 -0.02 1.25 0.86 0.00 0.00 177.93 181.07 3i69 h LEU 160 N 0.82 0.28 -0.91 2.43 5.85 -1.20 -2.66 115.31 119.91 3i69 h LEU 160 Ca 0.13 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 3i69 h LEU 160 Cb 0.65 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3i69 h LEU 160 CO 0.05 0.56 -0.19 0.58 -0.34 0.00 0.00 178.44 179.09 3i69 h VAL 161 N -0.00 1.26 -0.68 1.05 2.07 -1.41 0.12 116.25 118.65 3i69 h VAL 161 Ca 0.04 -1.20 0.11 0.00 0.82 0.00 0.00 66.70 66.47 3i69 h VAL 161 Cb 0.43 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 3i69 h VAL 161 CO 0.01 0.39 0.27 -0.08 0.02 0.00 0.00 177.57 178.18 3i69 h GLU 162 N 0.53 0.43 -0.52 1.57 4.81 -1.50 -0.69 114.58 119.21 3i69 h GLU 162 Ca 0.08 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 3i69 h GLU 162 Cb 0.62 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3i69 h GLU 162 CO 0.04 0.28 -0.13 1.25 -0.73 0.00 0.00 179.01 179.72 3i69 h LEU 163 N 0.44 1.00 -1.05 1.64 5.85 -0.51 -2.11 115.31 120.57 3i69 h LEU 163 Ca 0.35 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3i69 h LEU 163 Cb 0.47 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3i69 h LEU 163 CO -0.34 1.12 0.28 -0.07 -0.34 0.00 0.00 178.44 179.09 3i69 h LEU 164 N 0.88 0.88 -0.90 2.25 3.38 -0.45 -0.92 115.31 120.42 3i69 h LEU 164 Ca 0.13 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3i69 h LEU 164 Cb 0.70 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3i69 h LEU 164 CO 0.05 0.77 0.33 1.88 0.09 0.00 0.00 178.44 181.56 3i69 h TYR 165 N 0.95 1.14 -0.27 1.13 0.05 -0.66 -0.81 116.97 118.50 3i69 h TYR 165 Ca 0.23 -0.07 -0.14 0.00 0.05 0.00 0.00 58.73 58.80 3i69 h TYR 165 Cb 0.16 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3i69 h TYR 165 CO 0.01 0.85 -0.41 1.88 -1.05 0.00 0.00 178.16 179.45 3i69 h TYR 166 N 1.11 0.77 -0.06 4.88 0.05 -0.96 -2.92 116.97 119.84 3i69 h TYR 166 Ca 0.26 -0.23 -0.15 0.00 0.05 0.00 0.00 58.73 58.67 3i69 h TYR 166 Cb 0.17 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 3i69 h TYR 166 CO 0.02 0.95 -0.61 0.28 -1.05 0.00 0.00 178.16 177.74 3i69 h VAL 167 N 0.53 1.39 -0.35 -2.88 2.07 -0.98 -2.31 116.25 113.72 3i69 h VAL 167 Ca 0.04 -2.00 0.06 0.00 0.82 0.00 0.00 66.70 65.62 3i69 h VAL 167 Cb 0.93 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 3i69 h VAL 167 CO 0.08 0.59 0.05 -0.08 0.02 0.00 0.00 177.57 178.23 3i69 h GLU 168 N 0.17 0.15 -0.98 1.57 4.81 -1.10 0.29 114.58 119.49 3i69 h GLU 168 Ca -0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3i69 h GLU 168 Cb 1.11 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 3i69 h GLU 168 CO 0.09 0.10 0.64 0.93 -0.73 0.00 0.00 179.01 180.05 3i69 h GLU 169 N 0.16 1.23 0.41 1.92 5.08 -1.30 -2.98 114.58 119.09 3i69 h GLU 169 Ca 0.17 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3i69 h GLU 169 Cb 0.20 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3i69 h GLU 169 CO -0.24 0.82 -0.19 1.25 -1.00 0.00 0.00 179.01 179.64 3i69 h LEU 170 N 1.27 -0.46 -6.00 1.33 6.46 -0.95 -3.45 115.31 113.50 3i69 h LEU 170 Ca 0.38 -0.12 0.11 0.00 -0.12 0.00 0.00 57.88 58.13 3i69 h LEU 170 Cb -0.05 0.12 -0.21 0.00 -0.73 0.00 0.00 40.66 39.79 3i69 h LEU 170 CO -0.11 -0.05 -0.22 -0.62 -0.62 0.00 0.00 178.44 176.83 3i69 s ASP 171 N -4.95 -1.26 0.00 1.25 -1.08 0.96 -5.04 116.67 106.55 3i69 s ASP 171 Ca -0.13 0.68 0.14 0.00 -0.52 0.00 0.00 52.55 52.72 3i69 s ASP 171 Cb 0.01 2.01 0.71 0.00 -1.46 0.00 0.00 42.92 44.20 3i69 s ASP 171 CO 0.45 -0.23 1.38 -1.54 0.52 0.00 0.00 175.17 175.75 3i69 n SER 172 N 5.43 0.00 0.04 -0.34 3.41 -1.14 -2.58 113.62 118.44 3i69 n SER 172 Ca -0.01 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 3i69 n SER 172 Cb 0.52 -0.29 0.15 0.00 -0.26 0.00 0.00 64.21 64.33 3i69 n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i69 n SER 173 N -1.29 0.64 0.22 4.04 3.41 -1.26 -4.34 113.62 115.03 3i69 n SER 173 Ca 0.07 -0.03 0.10 0.00 -0.26 0.00 0.00 58.87 58.75 3i69 n SER 173 Cb 0.11 0.33 0.43 0.00 -0.26 0.00 0.00 64.21 64.83 3i69 n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i69 h LEU 174 N 0.00 0.00 -0.46 1.04 3.38 -1.84 -2.00 115.31 115.43 3i69 h LEU 174 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i69 h LEU 174 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3i69 h LEU 174 CO 0.00 0.20 -0.13 0.00 0.09 0.00 0.00 178.44 178.60 3i69 n ILE 175 N -3.32 0.00 -0.15 1.22 3.06 -1.26 -4.40 119.36 114.51 3i69 n ILE 175 Ca 0.01 -0.12 0.15 0.00 -2.50 0.00 0.00 62.75 60.28 3i69 n ILE 175 Cb 0.44 0.16 0.50 0.00 0.54 0.00 0.00 39.64 41.29 3i69 n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3i69 h SER 176 N 1.11 0.39 -0.28 9.51 4.64 -1.61 -1.41 113.55 125.91 3i69 h SER 176 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i69 h SER 176 Cb 0.41 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3i69 h SER 176 CO 0.00 0.21 0.00 -1.20 -0.87 0.00 0.00 176.83 174.97 3i69 n SER 177 N -4.48 1.83 -3.30 4.97 7.64 -1.26 -4.63 113.62 114.40 3i69 n SER 177 Ca 0.13 -1.87 -0.25 0.00 1.01 0.00 0.00 58.87 57.89 3i69 n SER 177 Cb 0.50 -0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.44 3i69 n SER 177 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3i69 n PHE 178 N 0.46 0.61 0.24 1.43 3.72 -0.53 -4.96 117.46 118.42 3i69 n PHE 178 Ca 0.14 -3.69 0.07 0.00 -0.05 0.00 0.00 57.45 53.92 3i69 n PHE 178 Cb 0.32 -0.33 0.57 0.00 -0.94 0.00 0.00 39.48 39.10 3i69 n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3i69 h PRO 179 N 4.31 0.00 0.00 -1.08 0.13 -1.82 -2.37 132.00 131.17 3i69 h PRO 179 Ca 0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 3i69 h PRO 179 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3i69 h PRO 179 CO 0.54 0.16 -0.41 -0.07 -0.23 0.00 0.00 178.00 178.00 3i69 h LEU 180 N 0.00 0.00 -0.11 1.56 3.38 -1.93 -1.49 115.31 116.71 3i69 h LEU 180 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 3i69 h LEU 180 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3i69 h LEU 180 CO 0.02 0.41 -1.01 -0.07 0.09 0.00 0.00 178.44 177.88 3i69 h LEU 181 N 0.00 0.42 -0.28 1.67 3.38 -1.82 -2.51 115.31 116.17 3i69 h LEU 181 Ca -0.00 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 3i69 h LEU 181 Cb 0.85 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3i69 h LEU 181 CO 0.05 1.20 0.17 0.11 0.09 0.00 0.00 178.44 180.07 3i69 h LYS 182 N 0.15 0.39 -0.42 1.13 1.57 -1.12 -1.14 116.57 117.13 3i69 h LYS 182 Ca -0.08 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3i69 h LYS 182 Cb 1.67 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 3i69 h LYS 182 CO 0.17 0.31 0.17 0.00 -0.57 0.00 0.00 179.45 179.52 3i69 h ALA 183 N 1.06 0.54 -0.53 3.86 0.00 -1.34 -2.29 119.26 120.55 3i69 h ALA 183 Ca 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i69 h ALA 183 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3i69 h ALA 183 CO -0.02 0.14 0.33 1.25 0.00 0.00 0.00 179.25 180.95 3i69 h LEU 184 N 0.53 0.55 -0.80 0.00 5.85 -1.31 0.14 115.31 120.26 3i69 h LEU 184 Ca 0.14 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3i69 h LEU 184 Cb 0.18 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3i69 h LEU 184 CO -0.01 0.39 0.49 0.50 -0.34 0.00 0.00 178.44 179.47 3i69 h LYS 185 N 0.66 0.88 0.10 1.25 3.64 -1.00 -0.29 116.57 121.81 3i69 h LYS 185 Ca 0.21 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3i69 h LYS 185 Cb -0.01 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3i69 h LYS 185 CO -0.08 0.58 -0.05 1.15 -2.27 0.00 0.00 179.45 178.79 3i69 h THR 186 N 0.91 1.10 -0.30 1.00 2.02 -0.81 -1.02 112.91 115.80 3i69 h THR 186 Ca 0.35 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.80 3i69 h THR 186 Cb 0.14 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 3i69 h THR 186 CO -0.16 0.19 -0.12 0.03 0.37 0.00 0.00 175.52 175.83 3i69 h ARG 187 N -0.50 -0.06 -0.30 6.66 3.08 -0.34 -1.34 114.38 121.58 3i69 h ARG 187 Ca -0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 3i69 h ARG 187 Cb 0.41 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3i69 h ARG 187 CO 0.02 -0.04 -0.47 0.82 -1.07 0.00 0.00 179.97 179.23 3i69 h ILE 188 N -0.07 1.28 -0.70 2.04 1.08 -1.11 -2.52 117.51 117.52 3i69 h ILE 188 Ca 0.15 -1.66 0.07 0.00 -0.39 0.00 0.00 64.86 63.03 3i69 h ILE 188 Cb 0.30 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 3i69 h ILE 188 CO -0.35 0.54 0.46 0.28 -0.69 0.00 0.00 178.15 178.39 3i69 h SER 189 N 0.63 0.62 0.72 1.72 0.02 -0.85 -2.68 113.55 113.74 3i69 h SER 189 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3i69 h SER 189 Cb 1.05 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3i69 h SER 189 CO 0.10 0.40 0.00 0.59 -1.14 0.00 0.00 176.83 176.78 3i69 n ASN 190 N -4.48 0.00 -4.68 3.07 3.02 -0.53 -2.28 115.26 109.38 3i69 n ASN 190 Ca 0.10 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 3i69 n ASN 190 Cb 0.23 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 3i69 n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i69 s LEU 191 N -2.78 4.37 0.27 3.41 1.43 -1.01 -4.80 118.68 119.57 3i69 s LEU 191 Ca 0.20 2.50 0.05 0.00 -1.03 0.00 0.00 54.13 55.85 3i69 s LEU 191 Cb 0.18 -3.55 0.74 0.00 0.03 0.00 0.00 46.19 43.59 3i69 s LEU 191 CO 0.46 -0.93 1.29 -2.65 0.23 0.00 0.00 176.35 174.75 3i69 n PRO 192 N 6.13 -0.06 -0.08 1.29 -0.02 -1.26 -0.34 135.00 140.65 3i69 n PRO 192 Ca 0.17 1.20 -0.11 0.00 -2.02 0.00 0.00 63.50 62.74 3i69 n PRO 192 Cb 0.41 -1.97 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 3i69 n PRO 192 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3i69 h THR 193 N 0.00 1.24 -0.01 3.45 1.35 -1.87 -2.42 112.91 114.65 3i69 h THR 193 Ca 0.55 -0.85 -0.18 0.00 -0.55 0.00 0.00 66.41 65.38 3i69 h THR 193 Cb 1.23 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3i69 h THR 193 CO -0.74 0.27 -0.81 0.58 -0.25 0.00 0.00 175.52 174.57 3i69 h VAL 194 N 0.23 1.47 -0.49 6.82 2.07 -0.94 -2.85 116.25 122.56 3i69 h VAL 194 Ca 0.07 -2.47 -0.10 0.00 0.82 0.00 0.00 66.70 65.02 3i69 h VAL 194 Cb 0.38 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3i69 h VAL 194 CO 0.01 0.72 -0.11 0.50 0.02 0.00 0.00 177.57 178.71 3i69 h LYS 195 N 0.12 0.89 -0.73 1.57 3.64 -0.49 -1.10 116.57 120.47 3i69 h LYS 195 Ca -0.03 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 3i69 h LYS 195 Cb 1.41 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 3i69 h LYS 195 CO 0.12 0.96 0.30 -0.22 -2.27 0.00 0.00 179.45 178.34 3i69 h LYS 196 N 0.80 1.09 0.00 1.90 3.64 -1.40 -2.00 116.57 120.60 3i69 h LYS 196 Ca 0.13 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 3i69 h LYS 196 Cb 0.63 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3i69 h LYS 196 CO 0.04 0.89 -0.47 0.35 -2.27 0.00 0.00 179.45 178.00 3i69 h PHE 197 N 1.05 0.00 0.00 1.91 3.57 -1.30 -3.00 116.94 119.17 3i69 h PHE 197 Ca 0.25 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 3i69 h PHE 197 Cb 0.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3i69 h PHE 197 CO 0.02 0.47 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.90 3i69 h LEU 198 N 0.00 0.00-10.23 0.59 3.38 -0.94 -3.42 115.31 104.69 3i69 h LEU 198 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 3i69 h LEU 198 Cb 0.97 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.87 3i69 h LEU 198 CO 0.06 0.59 0.34 -1.10 0.09 0.00 0.00 178.44 178.41 3i69 s GLN 199 N -2.94 2.04 0.63 1.13 -0.21 -0.78 -4.98 119.66 114.56 3i69 s GLN 199 Ca 0.03 1.52 -0.15 0.00 0.02 0.00 0.00 55.36 56.79 3i69 s GLN 199 Cb 0.08 -1.85 -0.02 0.00 1.00 0.00 0.00 33.01 32.23 3i69 s GLN 199 CO 0.76 -1.86 1.08 -2.14 -2.12 0.00 0.00 175.29 171.01 3i69 s PRO 200 N -4.30 3.06 0.00 2.91 0.02 -1.26 -3.30 135.00 132.12 3i69 s PRO 200 Ca 0.69 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.96 3i69 s PRO 200 Cb -0.24 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.29 3i69 s PRO 200 CO 0.49 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3i69 n GLY 201 N -0.89 0.66 3.89 0.52 0.00 -1.26 -5.05 105.19 103.06 3i69 n GLY 201 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3i69 n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i69 s SER 202 N -2.32 5.56 0.00 1.61 1.04 -1.21 -4.95 113.70 113.43 3i69 s SER 202 Ca 0.00 1.07 0.11 0.00 0.48 0.00 0.00 55.95 57.61 3i69 s SER 202 Cb 0.00 -1.94 0.58 0.00 0.10 0.00 0.00 66.02 64.76 3i69 s SER 202 CO 0.00 -1.23 1.16 -2.65 0.98 0.00 0.00 173.24 171.50 3i69 n PRO 203 N -2.89 0.24 -1.82 4.02 -0.02 -1.26 -4.77 135.00 128.49 3i69 n PRO 203 Ca 0.06 0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 3i69 n PRO 203 Cb 0.57 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.54 3i69 n PRO 203 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i69 s ARG 204 N -2.31 4.14 0.07 -0.52 3.52 -1.26 -4.97 118.95 117.62 3i69 s ARG 204 Ca 0.13 2.54 0.03 0.00 -0.13 0.00 0.00 55.73 58.29 3i69 s ARG 204 Cb 0.07 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3i69 s ARG 204 CO 0.14 -0.57 0.08 0.15 -0.81 0.00 0.00 175.30 174.29 3i69 s LYS 205 N -1.03 2.88 0.88 5.12 -0.14 -1.26 -5.00 119.74 121.18 3i69 s LYS 205 Ca 0.59 -0.68 -0.12 0.00 -1.36 0.00 0.00 55.97 54.40 3i69 s LYS 205 Cb -0.47 -2.73 0.12 0.00 -1.68 0.00 0.00 37.83 33.07 3i69 s LYS 205 CO 0.52 0.57 1.15 -1.25 -0.76 0.00 0.00 175.35 175.58 3i69 s PRO 206 N -2.34 1.42 0.68 -1.68 0.04 -1.26 -4.80 135.00 127.05 3i69 s PRO 206 Ca 0.29 0.25 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 3i69 s PRO 206 Cb -0.12 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3i69 s PRO 206 CO 0.21 -2.00 0.90 -2.30 0.04 0.00 0.00 177.00 173.85 3i69 n PRO 207 N -3.62 0.62 -2.08 0.56 -0.02 -1.26 -4.44 135.00 124.76 3i69 n PRO 207 Ca 0.07 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 3i69 n PRO 207 Cb 0.60 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3i69 n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i69 s PRO 208 N -3.03 4.24 0.42 0.52 0.04 -1.26 -5.04 135.00 130.89 3i69 s PRO 208 Ca 0.74 2.15 0.08 0.00 0.04 0.00 0.00 61.00 64.00 3i69 s PRO 208 Cb -0.37 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.59 3i69 s PRO 208 CO 0.50 -0.65 0.53 0.16 0.04 0.00 0.00 177.00 177.58 3i69 s ASP 209 N 2.13 5.51 0.47 6.66 -4.77 -1.26 -4.97 116.67 120.44 3i69 s ASP 209 Ca 0.69 -0.50 0.18 0.00 -3.30 0.00 0.00 52.55 49.62 3i69 s ASP 209 Cb -0.36 -0.62 1.13 0.00 -1.09 0.00 0.00 42.92 41.99 3i69 s ASP 209 CO 0.29 -0.75 2.01 -0.33 0.70 0.00 0.00 175.17 177.10 3i69 h GLU 210 N 0.72 0.00 0.09 2.11 4.39 -1.99 -0.99 114.58 118.91 3i69 h GLU 210 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3i69 h GLU 210 Cb 1.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 3i69 h GLU 210 CO 0.48 0.17 -0.22 0.82 -1.16 0.00 0.00 179.01 179.10 3i69 h ILE 211 N 0.00 0.00 -1.00 3.13 2.04 -1.99 -1.91 117.51 117.78 3i69 h ILE 211 Ca -0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.07 3i69 h ILE 211 Cb 0.33 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.30 3i69 h ILE 211 CO 0.02 0.00 0.61 0.22 0.00 0.00 0.00 178.15 179.00 3i69 h TYR 212 N -0.34 1.02 0.14 1.37 3.20 -1.61 0.46 116.97 121.20 3i69 h TYR 212 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3i69 h TYR 212 Cb 0.33 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3i69 h TYR 212 CO -0.31 0.16 -0.06 0.28 -1.64 0.00 0.00 178.16 176.58 3i69 h VAL 213 N 0.67 0.87 -0.29 1.81 2.07 -1.28 0.98 116.25 121.07 3i69 h VAL 213 Ca 0.60 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 68.04 3i69 h VAL 213 Cb 1.07 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3i69 h VAL 213 CO -0.41 0.00 -0.14 -0.09 0.02 0.00 0.00 177.57 176.96 3i69 h ARG 214 N -0.19 0.50 -0.75 1.57 2.43 -0.02 -2.24 114.38 115.69 3i69 h ARG 214 Ca -0.02 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 3i69 h ARG 214 Cb 0.14 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3i69 h ARG 214 CO 0.03 0.63 0.28 1.15 -1.51 0.00 0.00 179.97 180.56 3i69 h THR 215 N 0.46 1.25 -0.54 0.20 2.02 0.07 0.32 112.91 116.70 3i69 h THR 215 Ca 0.08 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 3i69 h THR 215 Cb 0.51 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3i69 h THR 215 CO 0.03 0.33 0.04 0.58 0.37 0.00 0.00 175.52 176.87 3i69 h VAL 216 N 1.09 1.25 0.07 3.16 2.07 -0.33 -1.85 116.25 121.72 3i69 h VAL 216 Ca 0.25 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3i69 h VAL 216 Cb 0.23 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3i69 h VAL 216 CO -0.02 0.37 -0.04 1.88 0.02 0.00 0.00 177.57 179.78 3i69 h TYR 217 N 0.84 -0.09 0.00 1.57 0.05 -1.07 -1.48 116.97 116.78 3i69 h TYR 217 Ca 0.16 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 3i69 h TYR 217 Cb 0.45 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3i69 h TYR 217 CO 0.03 0.25 0.10 -0.91 -1.05 0.00 0.00 178.16 176.58 3i69 h ASN 218 N -0.45 0.00 0.00 3.88 2.35 -0.86 -2.98 115.58 117.52 3i69 h ASN 218 Ca -0.01 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.50 3i69 h ASN 218 Cb 0.39 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 3i69 h ASN 218 CO 0.02 0.00 -1.59 -0.38 -1.65 0.00 0.00 177.43 173.83 3i69 n ILE 219 N -2.31 1.51 1.02 2.81 5.41 -0.70 -3.71 119.36 123.38 3i69 n ILE 219 Ca -0.01 -0.10 0.12 0.00 1.00 0.00 0.00 62.75 63.76 3i69 n ILE 219 Cb 0.13 -2.09 0.11 0.00 -0.71 0.00 0.00 39.64 37.09 3i69 n ILE 219 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04