#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dyi s ARG 4 N 0.00 3.21 -0.18 -4.13 0.52 -1.26 -5.06 118.95 112.05 3dyi s ARG 4 Ca 0.00 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.12 3dyi s ARG 4 Cb 0.00 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 3dyi s ARG 4 CO 0.00 -0.45 1.71 0.15 0.02 0.00 0.00 175.30 176.73 3dyi s LYS 5 N 1.57 3.81 0.03 3.54 1.02 -1.26 -4.96 119.74 123.49 3dyi s LYS 5 Ca 0.04 1.85 -0.30 0.00 0.02 0.00 0.00 55.97 57.57 3dyi s LYS 5 Cb -0.17 -4.07 -0.06 0.00 -0.52 0.00 0.00 37.83 33.01 3dyi s LYS 5 CO 0.05 -1.28 1.34 -1.25 -0.92 0.00 0.00 175.35 173.28 3dyi s PRO 6 N 4.73 4.33 0.25 -1.68 0.04 -1.26 -5.02 135.00 136.40 3dyi s PRO 6 Ca 0.76 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.77 3dyi s PRO 6 Cb -0.28 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 3dyi s PRO 6 CO 0.31 -0.47 0.33 -0.65 0.04 0.00 0.00 177.00 176.56 3dyi s GLN 7 N 1.86 3.30 0.69 4.56 -1.52 -1.26 -4.79 119.66 122.49 3dyi s GLN 7 Ca 0.62 -0.85 -0.16 0.00 -1.95 0.00 0.00 55.36 53.02 3dyi s GLN 7 Cb -0.31 -2.81 0.01 0.00 -0.22 0.00 0.00 33.01 29.68 3dyi s GLN 7 CO 0.27 0.39 1.21 -1.25 -0.25 0.00 0.00 175.29 175.66 3dyi s PRO 8 N -3.97 2.41 0.07 2.91 0.04 -1.26 -4.77 135.00 130.44 3dyi s PRO 8 Ca 0.35 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 3dyi s PRO 8 Cb -0.09 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 3dyi s PRO 8 CO 0.28 -1.63 0.09 -0.59 0.04 0.00 0.00 177.00 175.19 3dyi s PHE 9 N -1.84 0.34 -0.05 0.56 -0.71 -0.83 -5.01 117.98 110.43 3dyi s PHE 9 Ca 0.76 -0.82 -0.05 0.00 -1.04 0.00 0.00 56.93 55.78 3dyi s PHE 9 Cb -0.30 -0.22 0.02 0.00 -1.21 0.00 0.00 43.02 41.31 3dyi s PHE 9 CO 0.42 -0.48 0.14 -2.00 -1.34 0.00 0.00 175.22 171.96 3dyi s GLU 10 N -3.90 0.15 -0.08 1.99 2.12 -1.26 -1.10 118.70 116.63 3dyi s GLU 10 Ca 0.07 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.63 3dyi s GLU 10 Cb 0.06 0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 3dyi s GLU 10 CO -0.10 -0.04 -0.15 0.71 -0.54 0.00 0.00 175.26 175.14 3dyi s TYR 11 N 0.20 2.71 0.29 5.30 2.02 0.59 -4.97 117.35 123.51 3dyi s TYR 11 Ca -0.01 -0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 55.98 3dyi s TYR 11 Cb -0.02 -1.71 -0.09 0.00 -0.40 0.00 0.00 41.96 39.73 3dyi s TYR 11 CO -0.01 -0.03 0.97 -1.21 -1.57 0.00 0.00 175.55 173.71 3dyi s GLU 12 N -0.22 4.65 0.00 -0.62 0.41 -1.26 -0.94 118.70 120.72 3dyi s GLU 12 Ca 0.00 1.47 0.00 0.00 -0.41 0.00 0.00 54.97 56.04 3dyi s GLU 12 Cb -0.13 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 3dyi s GLU 12 CO 0.03 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 3dyi n GLY 13 N 0.97 6.30 0.20 -1.39 0.00 -1.26 -4.42 105.19 105.60 3dyi n GLY 13 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3dyi n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dyi n THR 14 N 0.00 0.00 -0.00 2.61 -2.24 -1.26 -4.86 114.28 108.52 3dyi n THR 14 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 3dyi n THR 14 Cb 0.00 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.58 3dyi n THR 14 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3dyi h ASP 15 N 0.00 0.21 -3.83 3.42 2.03 -1.95 -3.43 116.42 112.87 3dyi h ASP 15 Ca 0.00 -0.46 -0.56 0.00 -0.73 0.00 0.00 57.03 55.28 3dyi h ASP 15 Cb 0.00 -0.07 -0.32 0.00 -0.83 0.00 0.00 39.33 38.12 3dyi h ASP 15 CO 0.00 1.41 -0.84 -0.89 -1.03 0.00 0.00 179.24 177.89 3dyi s THR 16 N -2.58 1.43 0.21 1.15 2.01 -1.26 -1.43 115.64 115.17 3dyi s THR 16 Ca -0.13 -0.71 0.11 0.00 0.31 0.00 0.00 61.69 61.28 3dyi s THR 16 Cb 0.07 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 3dyi s THR 16 CO 0.80 0.41 -0.23 -0.83 -0.69 0.00 0.00 174.62 174.09 3dyi s GLY 17 N 0.11 1.74 -0.05 4.40 0.00 -0.04 -1.25 107.32 112.23 3dyi s GLY 17 Ca -0.05 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 42.99 3dyi s GLY 17 CO 0.03 -1.73 -0.08 0.14 0.00 0.00 0.00 173.10 171.46 3dyi s VAL 18 N -1.88 0.77 -0.20 1.40 1.01 0.34 -1.46 120.40 120.38 3dyi s VAL 18 Ca 0.23 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 3dyi s VAL 18 Cb -0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 3dyi s VAL 18 CO 0.11 0.27 0.18 -0.69 0.00 0.00 0.00 175.10 174.96 3dyi s VAL 19 N 0.65 5.37 -0.17 2.92 1.01 -0.23 -0.60 120.40 129.35 3dyi s VAL 19 Ca -0.11 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3dyi s VAL 19 Cb -0.13 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.74 3dyi s VAL 19 CO 0.01 0.40 -0.17 -0.76 0.00 0.00 0.00 175.10 174.58 3dyi s LEU 20 N 0.61 2.33 -0.20 3.92 1.43 -0.44 -1.29 118.68 125.04 3dyi s LEU 20 Ca 0.10 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 3dyi s LEU 20 Cb -0.12 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3dyi s LEU 20 CO 0.01 0.03 -0.00 -0.76 0.23 0.00 0.00 176.35 175.86 3dyi s LEU 21 N 1.12 3.26 0.99 1.79 1.43 -0.22 -4.12 118.68 122.93 3dyi s LEU 21 Ca 0.01 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 3dyi s LEU 21 Cb -0.14 -1.82 0.22 0.00 0.03 0.00 0.00 46.19 44.48 3dyi s LEU 21 CO -0.06 0.07 1.35 -1.38 0.23 0.00 0.00 176.35 176.55 3dyi s HIS 22 N 0.98 1.32 0.54 0.29 -3.43 -1.26 -1.05 115.29 112.68 3dyi s HIS 22 Ca 0.02 0.22 -0.03 0.00 -0.80 0.00 0.00 55.06 54.46 3dyi s HIS 22 Cb -0.14 -4.23 0.00 0.00 -1.43 0.00 0.00 32.58 26.78 3dyi s HIS 22 CO 0.02 -2.82 0.81 0.00 -2.00 0.00 0.00 174.74 170.75 3dyi s ALA 23 N -3.94 3.49 0.10 -1.38 0.00 -1.23 -1.70 121.76 117.10 3dyi s ALA 23 Ca 0.76 -0.84 -0.31 0.00 0.00 0.00 0.00 51.96 51.57 3dyi s ALA 23 Cb -0.02 -2.42 -0.08 0.00 0.00 0.00 0.00 23.12 20.60 3dyi s ALA 23 CO 0.54 -0.63 1.51 -0.47 0.00 0.00 0.00 175.76 176.70 3dyi s TYR 24 N -2.82 2.92 0.00 0.00 5.04 -1.26 -1.10 117.35 120.13 3dyi s TYR 24 Ca 0.52 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 3dyi s TYR 24 Cb -0.10 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.39 3dyi s TYR 24 CO 0.42 -3.07 0.00 0.25 -1.34 0.00 0.00 175.55 171.81 3dyi n THR 25 N 4.26 0.00 -0.41 4.34 -2.24 -1.26 -5.00 114.28 113.97 3dyi n THR 25 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3dyi n THR 25 Cb 0.41 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3dyi n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dyi n GLY 26 N -2.00 0.20 3.86 3.38 0.00 -0.26 -4.89 105.19 105.48 3dyi n GLY 26 Ca 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.32 3dyi n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dyi s SER 27 N -1.00 -0.03 0.60 1.61 1.04 -1.26 -4.28 113.70 110.38 3dyi s SER 27 Ca 0.00 -0.45 0.28 0.00 0.48 0.00 0.00 55.95 56.26 3dyi s SER 27 Cb 0.00 0.36 1.43 0.00 0.10 0.00 0.00 66.02 67.92 3dyi s SER 27 CO 0.00 -0.71 1.84 -0.65 0.98 0.00 0.00 173.24 174.70 3dyi h PRO 28 N 2.00 0.00 -0.71 4.02 0.11 -1.86 -0.36 132.00 135.20 3dyi h PRO 28 Ca -0.26 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.03 3dyi h PRO 28 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3dyi h PRO 28 CO 0.32 0.00 0.50 -0.91 -0.21 0.00 0.00 178.00 177.70 3dyi h ASN 29 N 0.00 0.16 -0.46 -2.05 -0.26 -1.94 -0.34 115.58 110.69 3dyi h ASN 29 Ca 0.22 0.01 0.13 0.00 -0.56 0.00 0.00 56.30 56.10 3dyi h ASN 29 Cb 1.29 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.51 3dyi h ASN 29 CO -0.00 0.07 0.40 0.44 -1.06 0.00 0.00 177.43 177.28 3dyi h ASP 30 N 0.16 0.00 -0.26 5.81 3.32 -1.45 -2.70 116.42 121.30 3dyi h ASP 30 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3dyi h ASP 30 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3dyi h ASP 30 CO -0.06 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.69 3dyi n MET 31 N -4.02 2.16 -0.03 3.56 2.81 -0.14 -4.55 117.12 116.91 3dyi n MET 31 Ca 0.08 -1.81 -0.09 0.00 -1.81 0.00 0.00 57.70 54.08 3dyi n MET 31 Cb 0.60 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.81 3dyi n MET 31 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3dyi h ASN 32 N 2.22 -0.29 -0.21 7.83 2.35 -1.48 0.18 115.58 126.18 3dyi h ASN 32 Ca 0.00 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3dyi h ASN 32 Cb 0.67 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 3dyi h ASN 32 CO 0.00 -0.12 0.04 -0.26 -1.65 0.00 0.00 177.43 175.44 3dyi h PHE 33 N -0.07 0.37 0.01 1.19 0.04 -1.84 -2.15 116.94 114.48 3dyi h PHE 33 Ca 0.10 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 3dyi h PHE 33 Cb 0.22 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.26 3dyi h PHE 33 CO -0.24 0.48 -0.00 1.98 -0.60 0.00 0.00 178.31 179.92 3dyi h MET 34 N 0.15 -0.01 -0.82 1.51 4.05 -1.73 -0.19 114.93 117.90 3dyi h MET 34 Ca 0.06 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.53 3dyi h MET 34 Cb 0.30 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.05 3dyi h MET 34 CO 0.00 0.09 0.51 0.00 0.23 0.00 0.00 176.91 177.74 3dyi h ALA 35 N 0.89 1.11 -0.40 0.39 0.00 -0.62 -0.62 119.26 120.01 3dyi h ALA 35 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3dyi h ALA 35 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dyi h ALA 35 CO 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 179.25 179.27 3dyi h ARG 36 N 0.96 0.88 -0.59 0.00 2.47 -1.18 -0.78 114.38 116.14 3dyi h ARG 36 Ca 0.35 -0.42 0.05 0.00 -1.26 0.00 0.00 59.98 58.70 3dyi h ARG 36 Cb 0.11 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.37 3dyi h ARG 36 CO -0.15 1.06 0.33 0.00 0.56 0.00 0.00 179.97 181.77 3dyi h ALA 37 N 0.80 0.77 -0.73 0.04 0.00 -0.48 -0.47 119.26 119.20 3dyi h ALA 37 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dyi h ALA 37 Cb 0.84 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3dyi h ALA 37 CO 0.07 0.01 0.31 -0.07 0.00 0.00 0.00 179.25 179.57 3dyi h LEU 38 N 0.63 0.98 -0.70 0.00 3.38 -0.95 -2.67 115.31 115.97 3dyi h LEU 38 Ca 0.26 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3dyi h LEU 38 Cb 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3dyi h LEU 38 CO -0.15 0.87 0.46 -0.61 0.09 0.00 0.00 178.44 179.10 3dyi h GLN 39 N 1.03 0.91 0.00 1.13 4.15 -0.62 -1.52 115.11 120.19 3dyi h GLN 39 Ca 0.24 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 3dyi h GLN 39 Cb 0.18 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 3dyi h GLN 39 CO -0.02 0.60 -0.07 0.00 -1.93 0.00 0.00 178.83 177.41 3dyi h ARG 40 N 0.94 0.00 -0.44 1.69 3.08 -0.78 -0.69 114.38 118.17 3dyi h ARG 40 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3dyi h ARG 40 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3dyi h ARG 40 CO -0.07 0.07 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 3dyi n SER 41 N -4.14 2.51 0.00 7.04 7.64 -0.73 -4.94 113.62 120.99 3dyi n SER 41 Ca -0.03 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.88 3dyi n SER 41 Cb 0.15 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3dyi n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dyi n GLY 42 N 1.26 0.69 3.82 0.23 0.00 -0.27 -5.06 105.19 105.87 3dyi n GLY 42 Ca 0.16 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3dyi n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dyi s TYR 43 N -2.00 3.69 0.45 1.61 2.02 -0.65 -4.24 117.35 118.23 3dyi s TYR 43 Ca 0.00 1.24 -0.22 0.00 -0.37 0.00 0.00 57.07 57.72 3dyi s TYR 43 Cb 0.00 -2.49 -0.08 0.00 -0.40 0.00 0.00 41.96 38.99 3dyi s TYR 43 CO 0.00 0.46 1.07 0.20 -1.57 0.00 0.00 175.55 175.71 3dyi s GLY 44 N -1.49 2.67 -0.02 0.71 0.00 -0.38 -4.08 107.32 104.72 3dyi s GLY 44 Ca 0.36 0.73 -0.02 0.00 0.00 0.00 0.00 44.72 45.79 3dyi s GLY 44 CO 0.20 1.12 0.05 0.14 0.00 0.00 0.00 173.10 174.61 3dyi s VAL 45 N -1.74 -0.01 -0.07 1.40 1.01 -0.12 -0.51 120.40 120.37 3dyi s VAL 45 Ca 0.63 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3dyi s VAL 45 Cb -0.22 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.10 3dyi s VAL 45 CO 0.26 0.01 -0.05 -0.47 0.00 0.00 0.00 175.10 174.85 3dyi s TYR 46 N 0.13 0.98 -0.40 5.22 5.04 0.23 -0.30 117.35 128.25 3dyi s TYR 46 Ca -0.01 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 3dyi s TYR 46 Cb -0.02 -0.86 0.12 0.00 0.35 0.00 0.00 41.96 41.55 3dyi s TYR 46 CO -0.00 -0.29 0.16 0.08 -1.34 0.00 0.00 175.55 174.16 3dyi s VAL 47 N 1.23 1.78 0.80 3.14 1.01 -0.26 -1.33 120.40 126.77 3dyi s VAL 47 Ca -0.06 -2.42 -0.12 0.00 0.00 0.00 0.00 61.98 59.39 3dyi s VAL 47 Cb -0.14 -2.28 0.07 0.00 0.00 0.00 0.00 36.38 34.03 3dyi s VAL 47 CO -0.02 -0.75 1.11 -2.16 0.00 0.00 0.00 175.10 173.28 3dyi s PRO 48 N 0.63 2.09 -0.19 2.72 0.04 -1.26 -1.97 135.00 137.06 3dyi s PRO 48 Ca 0.14 0.52 -0.05 0.00 0.04 0.00 0.00 61.00 61.65 3dyi s PRO 48 Cb -0.22 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 3dyi s PRO 48 CO -0.08 -1.59 0.01 -1.17 0.04 0.00 0.00 177.00 174.21 3dyi s LEU 49 N -5.72 3.33 0.33 -3.56 2.96 -1.26 -4.49 118.68 110.27 3dyi s LEU 49 Ca 0.61 -0.16 -0.27 0.00 -0.22 0.00 0.00 54.13 54.09 3dyi s LEU 49 Cb -0.14 -1.84 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 3dyi s LEU 49 CO 0.53 0.09 1.06 -0.36 -1.32 0.00 0.00 176.35 176.35 3dyi s PHE 50 N 0.87 3.46 0.24 5.38 0.08 -1.26 -4.97 117.98 121.79 3dyi s PHE 50 Ca 0.01 1.69 -0.30 0.00 0.12 0.00 0.00 56.93 58.45 3dyi s PHE 50 Cb -0.14 -3.19 -0.14 0.00 -0.57 0.00 0.00 43.02 38.98 3dyi s PHE 50 CO 0.02 -0.51 1.15 0.43 -0.10 0.00 0.00 175.22 176.21 3dyi n SER 51 N 0.61 1.67 0.00 1.36 7.64 -1.26 -2.05 113.62 121.59 3dyi n SER 51 Ca 0.02 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3dyi n SER 51 Cb 0.47 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3dyi n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dyi n GLY 52 N 1.65 2.57 3.96 0.23 0.00 -1.26 -4.17 105.19 108.17 3dyi n GLY 52 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3dyi n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dyi s HIS 53 N -2.80 3.13 -0.18 1.61 4.02 -0.87 -2.09 115.29 118.11 3dyi s HIS 53 Ca 0.00 0.10 0.00 0.00 1.02 0.00 0.00 55.06 56.18 3dyi s HIS 53 Cb 0.00 -2.33 0.00 0.00 -1.02 0.00 0.00 32.58 29.23 3dyi s HIS 53 CO 0.00 -0.39 0.00 0.41 1.02 0.00 0.00 174.74 175.78 3dyi n GLY 54 N -2.04 0.52 3.70 -2.22 0.00 -1.26 -4.91 105.19 98.97 3dyi n GLY 54 Ca 0.02 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 3dyi n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dyi s THR 55 N -2.05 2.24 -1.27 2.61 -4.23 -1.26 -4.08 115.64 107.60 3dyi s THR 55 Ca 0.00 -1.81 0.28 0.00 -1.18 0.00 0.00 61.69 58.98 3dyi s THR 55 Cb 0.00 -2.98 0.40 0.00 1.34 0.00 0.00 72.50 71.25 3dyi s THR 55 CO 0.00 -0.02 1.94 0.55 -0.54 0.00 0.00 174.62 176.56 3dyi n VAL 56 N -1.14 0.09 -3.68 2.29 3.14 -1.26 -4.64 118.33 113.13 3dyi n VAL 56 Ca -0.02 0.02 -0.38 0.00 -2.96 0.00 0.00 64.34 60.99 3dyi n VAL 56 Cb 0.65 -0.55 -0.10 0.00 -1.06 0.00 0.00 33.84 32.78 3dyi n VAL 56 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3dyi s GLU 57 N -2.73 2.34 0.54 1.45 2.56 -1.26 -4.64 118.70 116.96 3dyi s GLU 57 Ca 0.22 -1.66 0.21 0.00 0.00 0.00 0.00 54.97 53.75 3dyi s GLU 57 Cb 0.19 -3.70 1.41 0.00 2.00 0.00 0.00 34.13 34.03 3dyi s GLU 57 CO 0.46 -1.03 2.12 -1.35 -0.56 0.00 0.00 175.26 174.90 3dyi h PRO 58 N 8.26 0.00 0.00 4.30 0.11 -1.93 -1.18 132.00 141.56 3dyi h PRO 58 Ca -0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 3dyi h PRO 58 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dyi h PRO 58 CO 0.75 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.45 3dyi h LEU 59 N 0.00 0.00 -1.19 2.35 3.38 -1.94 -2.03 115.31 115.88 3dyi h LEU 59 Ca 0.07 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3dyi h LEU 59 Cb 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3dyi h LEU 59 CO -0.00 0.02 0.56 0.44 0.09 0.00 0.00 178.44 179.55 3dyi h ASP 60 N 0.00 0.86 -0.33 -0.43 3.32 -1.45 -0.22 116.42 118.18 3dyi h ASP 60 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3dyi h ASP 60 Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3dyi h ASP 60 CO 0.00 0.56 0.10 0.40 -1.72 0.00 0.00 179.24 178.58 3dyi h ILE 61 N 0.98 1.21 0.00 0.35 2.04 -0.80 0.23 117.51 121.52 3dyi h ILE 61 Ca 0.37 -0.69 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 3dyi h ILE 61 Cb 0.18 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3dyi h ILE 61 CO -0.13 0.23 -0.59 -0.07 0.00 0.00 0.00 178.15 177.59 3dyi h LEU 62 N 0.38 0.00 0.00 1.44 3.38 -1.48 -3.03 115.31 116.00 3dyi h LEU 62 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dyi h LEU 62 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dyi h LEU 62 CO -0.00 0.59 -0.83 0.35 0.09 0.00 0.00 178.44 178.64 3dyi n THR 63 N -3.81 0.00 0.17 0.22 -2.24 -0.15 -4.65 114.28 103.82 3dyi n THR 63 Ca -0.01 -0.25 0.02 0.00 -2.27 0.00 0.00 64.05 61.54 3dyi n THR 63 Cb 0.60 0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 3dyi n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dyi n LYS 64 N -1.46 3.60 -4.25 -0.78 5.02 0.06 -5.03 118.16 115.32 3dyi n LYS 64 Ca -0.00 -0.26 -0.18 0.00 -2.02 0.00 0.00 58.31 55.85 3dyi n LYS 64 Cb 0.14 -0.81 -0.11 0.00 -0.02 0.00 0.00 35.03 34.23 3dyi n LYS 64 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3dyi s GLY 65 N -0.98 1.11 0.20 0.72 0.00 -1.14 -4.26 107.32 102.96 3dyi s GLY 65 Ca 0.03 -1.36 -0.21 0.00 0.00 0.00 0.00 44.72 43.18 3dyi s GLY 65 CO 0.11 -1.42 0.60 0.54 0.00 0.00 0.00 173.10 172.92 3dyi s ASN 66 N -2.63 -0.39 0.38 1.64 2.20 -1.26 -4.70 114.94 110.17 3dyi s ASN 66 Ca 0.11 -0.30 0.13 0.00 -0.94 0.00 0.00 52.86 51.86 3dyi s ASN 66 Cb -0.03 0.62 0.94 0.00 -2.00 0.00 0.00 41.25 40.77 3dyi s ASN 66 CO 0.03 -1.08 1.84 -0.65 -2.94 0.00 0.00 177.10 174.31 3dyi h PRO 67 N 2.07 0.55 -0.36 3.55 0.11 -1.93 -0.95 132.00 135.03 3dyi h PRO 67 Ca -0.29 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 3dyi h PRO 67 Cb 1.28 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dyi h PRO 67 CO 0.35 0.36 0.03 -0.44 -0.21 0.00 0.00 178.00 178.08 3dyi h ASP 68 N 0.56 0.61 -0.30 -2.05 3.32 -1.97 0.16 116.42 116.75 3dyi h ASP 68 Ca 0.48 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3dyi h ASP 68 Cb 0.98 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3dyi h ASP 68 CO -0.22 0.74 0.14 0.40 -1.72 0.00 0.00 179.24 178.58 3dyi h ILE 69 N 0.45 1.16 -0.20 0.35 2.04 -1.79 -1.94 117.51 117.57 3dyi h ILE 69 Ca 0.11 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 3dyi h ILE 69 Cb 0.42 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3dyi h ILE 69 CO 0.01 0.17 -0.14 -0.50 0.00 0.00 0.00 178.15 177.70 3dyi h TRP 70 N 0.35 0.35 -0.32 1.37 6.55 -1.08 -0.03 115.95 123.14 3dyi h TRP 70 Ca 0.10 -0.05 -0.04 0.00 0.95 0.00 0.00 58.89 59.85 3dyi h TRP 70 Cb 0.15 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.34 3dyi h TRP 70 CO -0.01 0.47 0.04 2.35 -1.05 0.00 0.00 178.44 180.23 3dyi h TRP 71 N 0.31 0.58 -0.76 0.49 -0.00 -0.80 0.19 115.95 115.96 3dyi h TRP 71 Ca 0.06 -0.09 0.03 0.00 -0.00 0.00 0.00 58.89 58.89 3dyi h TRP 71 Cb 0.43 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 29.39 3dyi h TRP 71 CO 0.01 0.63 0.48 0.00 -0.00 0.00 0.00 178.44 179.57 3dyi h ALA 72 N 0.87 1.00 -0.59 2.65 0.00 -0.61 0.63 119.26 123.21 3dyi h ALA 72 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3dyi h ALA 72 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dyi h ALA 72 CO 0.01 0.29 0.00 0.93 0.00 0.00 0.00 179.25 180.48 3dyi h GLU 73 N 0.95 1.02 -0.29 0.00 5.08 -0.90 -0.73 114.58 119.71 3dyi h GLU 73 Ca 0.30 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3dyi h GLU 73 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3dyi h GLU 73 CO -0.11 1.00 0.11 0.77 -1.00 0.00 0.00 179.01 179.78 3dyi h SER 74 N 0.94 0.41 -0.73 1.42 0.02 -0.48 -1.80 113.55 113.33 3dyi h SER 74 Ca 0.17 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3dyi h SER 74 Cb 0.54 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 3dyi h SER 74 CO 0.03 0.47 0.45 0.28 -1.14 0.00 0.00 176.83 176.92 3dyi h SER 75 N 0.31 0.87 -0.55 3.07 0.02 -0.72 -1.66 113.55 114.91 3dyi h SER 75 Ca 0.10 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3dyi h SER 75 Cb 0.20 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3dyi h SER 75 CO -0.01 0.67 0.09 0.00 -1.14 0.00 0.00 176.83 176.45 3dyi h ALA 76 N 1.24 1.06 -0.39 3.77 0.00 -1.05 -1.79 119.26 122.10 3dyi h ALA 76 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dyi h ALA 76 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3dyi h ALA 76 CO -0.05 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.96 3dyi h ALA 77 N 1.20 0.51 -0.21 0.00 0.00 -0.92 -0.39 119.26 119.45 3dyi h ALA 77 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dyi h ALA 77 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3dyi h ALA 77 CO 0.01 0.12 0.09 0.28 0.00 0.00 0.00 179.25 179.75 3dyi h VAL 78 N 0.49 0.98 -0.96 0.00 2.07 -1.16 -2.65 116.25 115.02 3dyi h VAL 78 Ca 0.13 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3dyi h VAL 78 Cb 0.20 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3dyi h VAL 78 CO -0.01 0.04 0.59 0.00 0.02 0.00 0.00 177.57 178.21 3dyi h ALA 79 N 1.12 1.24 -0.89 1.67 0.00 -1.11 0.61 119.26 121.89 3dyi h ALA 79 Ca 0.09 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3dyi h ALA 79 Cb 0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 17.79 17.36 3dyi h ALA 79 CO -0.07 0.66 0.52 1.25 0.00 0.00 0.00 179.25 181.61 3dyi h HIS 80 N 1.31 0.95 0.15 0.00 6.17 -0.86 -2.23 115.15 120.64 3dyi h HIS 80 Ca 0.35 0.03 -0.33 0.00 0.71 0.00 0.00 60.37 61.13 3dyi h HIS 80 Cb -0.08 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 29.56 3dyi h HIS 80 CO 0.00 0.36 -1.64 0.52 0.71 0.00 0.00 177.93 177.88 3dyi h MET 81 N 0.84 0.32 0.00 5.26 2.86 -0.98 -3.30 114.93 119.92 3dyi h MET 81 Ca 0.45 -0.55 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3dyi h MET 81 Cb 0.46 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 3dyi h MET 81 CO -0.27 1.21 -0.03 1.79 1.06 0.00 0.00 176.91 180.66 3dyi h THR 82 N 0.09 0.11 0.00 2.22 1.35 -0.84 -1.52 112.91 114.32 3dyi h THR 82 Ca -0.29 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 3dyi h THR 82 Cb 2.06 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 69.87 3dyi h THR 82 CO 0.17 0.03 -0.04 0.00 -0.25 0.00 0.00 175.52 175.43 3dyi h ALA 83 N 1.97 1.00 0.00 6.62 0.00 -1.48 -3.37 119.26 124.00 3dyi h ALA 83 Ca -0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3dyi h ALA 83 Cb 0.39 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3dyi h ALA 83 CO 0.00 0.05 -1.94 1.63 0.00 0.00 0.00 179.25 179.00 3dyi n LYS 84 N -3.14 0.94 -4.57 0.00 5.02 -0.65 -5.04 118.16 110.72 3dyi n LYS 84 Ca 0.01 0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 56.05 3dyi n LYS 84 Cb 0.38 -1.34 -0.11 0.00 -0.02 0.00 0.00 35.03 33.94 3dyi n LYS 84 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dyi s TYR 85 N -2.33 2.76 0.28 2.13 2.02 -0.71 -5.01 117.35 116.48 3dyi s TYR 85 Ca -0.17 -0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3dyi s TYR 85 Cb 0.05 -1.56 0.46 0.00 -0.40 0.00 0.00 41.96 40.51 3dyi s TYR 85 CO 0.44 0.31 1.90 0.00 -1.57 0.00 0.00 175.55 176.64 3dyi h ALA 86 N 4.62 1.45 -4.02 3.71 0.00 -1.52 -3.43 119.26 120.09 3dyi h ALA 86 Ca -0.48 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 53.94 3dyi h ALA 86 Cb 1.16 -0.29 -0.30 0.00 0.00 0.00 0.00 17.79 18.36 3dyi h ALA 86 CO 0.51 0.41 -0.80 0.15 0.00 0.00 0.00 179.25 179.52 3dyi s LYS 87 N -5.97 1.11 -0.05 0.00 1.02 -0.90 -5.03 119.74 109.92 3dyi s LYS 87 Ca -0.12 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.46 3dyi s LYS 87 Cb 0.20 -1.04 0.01 0.00 -0.52 0.00 0.00 37.83 36.48 3dyi s LYS 87 CO 0.81 0.22 -0.09 0.08 -0.92 0.00 0.00 175.35 175.45 3dyi s VAL 88 N -0.10 0.82 0.08 3.17 1.01 -1.26 -0.86 120.40 123.27 3dyi s VAL 88 Ca 0.01 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3dyi s VAL 88 Cb -0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3dyi s VAL 88 CO 0.00 0.28 -0.07 -0.36 0.00 0.00 0.00 175.10 174.95 3dyi s PHE 89 N 0.65 2.83 -0.09 5.22 0.08 -0.53 -1.26 117.98 124.87 3dyi s PHE 89 Ca -0.11 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 3dyi s PHE 89 Cb -0.14 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3dyi s PHE 89 CO 0.02 0.43 -0.05 0.08 -0.10 0.00 0.00 175.22 175.60 3dyi s VAL 90 N -1.20 0.76 0.11 -0.44 1.01 -0.93 -1.07 120.40 118.65 3dyi s VAL 90 Ca 0.22 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.14 3dyi s VAL 90 Cb -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3dyi s VAL 90 CO 0.14 0.32 -0.17 -0.36 0.00 0.00 0.00 175.10 175.03 3dyi s PHE 91 N 1.74 1.58 -0.02 5.22 0.08 -0.41 -1.37 117.98 124.78 3dyi s PHE 91 Ca 0.04 -0.47 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 3dyi s PHE 91 Cb -0.13 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 3dyi s PHE 91 CO -0.06 0.18 0.09 0.20 -0.10 0.00 0.00 175.22 175.53 3dyi s GLY 92 N -2.16 -0.01 -0.24 4.36 0.00 -0.92 -1.06 107.32 107.29 3dyi s GLY 92 Ca 0.07 0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.73 3dyi s GLY 92 CO 0.04 0.03 0.36 -2.27 0.00 0.00 0.00 173.10 171.26 3dyi s LEU 93 N -0.43 4.09 0.00 0.66 2.96 -0.21 -0.95 118.68 124.79 3dyi s LEU 93 Ca -0.05 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 3dyi s LEU 93 Cb -0.03 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.23 3dyi s LEU 93 CO 0.00 -0.12 0.00 -0.24 -1.32 0.00 0.00 176.35 174.67 3dyi n SER 94 N 4.93 0.00 -0.26 3.68 2.88 -0.29 -1.27 113.62 123.29 3dyi n SER 94 Ca -0.09 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.43 3dyi n SER 94 Cb 0.51 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.01 3dyi n SER 94 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3dyi h LEU 95 N 0.00 -1.06 -1.83 2.46 5.85 -1.87 0.11 115.31 118.97 3dyi h LEU 95 Ca 0.00 0.25 0.15 0.00 0.84 0.00 0.00 57.88 59.12 3dyi h LEU 95 Cb 0.00 0.58 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3dyi h LEU 95 CO 0.00 -0.29 0.43 1.23 -0.34 0.00 0.00 178.44 179.47 3dyi h GLY 96 N -0.07 0.29 1.45 3.75 0.00 -0.28 -1.28 103.07 106.93 3dyi h GLY 96 Ca 0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 3dyi h GLY 96 CO -0.79 0.03 0.12 -1.33 0.00 0.00 0.00 176.54 174.57 3dyi h GLY 97 N 0.18 0.74 0.88 4.60 0.00 -0.74 -0.53 103.07 108.21 3dyi h GLY 97 Ca 0.30 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.24 3dyi h GLY 97 CO -0.05 0.38 0.09 -2.22 0.00 0.00 0.00 176.54 174.74 3dyi h ILE 98 N 0.68 0.98 -0.12 2.60 2.04 -1.12 -0.80 117.51 121.77 3dyi h ILE 98 Ca 0.15 -0.07 -0.13 0.00 1.00 0.00 0.00 64.86 65.81 3dyi h ILE 98 Cb 0.24 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3dyi h ILE 98 CO -0.00 0.04 -0.51 -0.26 0.00 0.00 0.00 178.15 177.41 3dyi h PHE 99 N 0.21 0.39 -0.37 1.37 0.04 -1.49 -1.82 116.94 115.26 3dyi h PHE 99 Ca 0.09 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.74 3dyi h PHE 99 Cb 0.03 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3dyi h PHE 99 CO -0.10 0.76 0.22 0.00 -0.60 0.00 0.00 178.31 178.59 3dyi h ALA 100 N 1.21 0.47 -0.51 2.45 0.00 -0.83 -0.07 119.26 121.97 3dyi h ALA 100 Ca 0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3dyi h ALA 100 Cb 0.98 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3dyi h ALA 100 CO 0.08 -0.12 -0.11 0.52 0.00 0.00 0.00 179.25 179.63 3dyi h MET 101 N 0.45 0.95 -0.40 0.00 2.86 -0.98 -2.07 114.93 115.74 3dyi h MET 101 Ca 0.14 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 3dyi h MET 101 Cb -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3dyi h MET 101 CO -0.06 1.00 0.03 -0.22 1.06 0.00 0.00 176.91 178.72 3dyi h LYS 102 N 0.85 0.62 0.07 1.72 3.64 -1.10 -1.50 116.57 120.86 3dyi h LYS 102 Ca 0.14 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dyi h LYS 102 Cb 0.65 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3dyi h LYS 102 CO 0.05 0.62 -0.06 0.00 -2.27 0.00 0.00 179.45 177.79 3dyi h ALA 103 N 1.44 -0.12 -0.99 5.00 0.00 -0.65 -0.19 119.26 123.76 3dyi h ALA 103 Ca 0.13 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3dyi h ALA 103 Cb 0.34 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3dyi h ALA 103 CO 0.01 -0.58 0.64 -0.07 0.00 0.00 0.00 179.25 179.25 3dyi h LEU 104 N -0.14 1.02 -0.62 0.00 3.38 -1.03 0.62 115.31 118.54 3dyi h LEU 104 Ca 0.00 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3dyi h LEU 104 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3dyi h LEU 104 CO -0.01 0.65 -0.18 -0.33 0.09 0.00 0.00 178.44 178.66 3dyi h GLU 105 N 1.16 0.90 0.00 1.13 5.08 -0.87 -3.41 114.58 118.56 3dyi h GLU 105 Ca 0.43 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3dyi h GLU 105 Cb 0.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dyi h GLU 105 CO -0.18 1.00 -0.50 0.25 -1.00 0.00 0.00 179.01 178.58 3dyi n THR 106 N -4.12 0.00 -3.94 1.13 -2.24 -0.12 -4.82 114.28 100.17 3dyi n THR 106 Ca 0.01 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 3dyi n THR 106 Cb 0.43 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 3dyi n THR 106 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dyi s LEU 107 N -1.72 4.29 0.49 3.22 1.43 0.18 -5.05 118.68 121.52 3dyi s LEU 107 Ca 0.00 0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.31 3dyi s LEU 107 Cb 0.00 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 3dyi s LEU 107 CO 0.00 0.26 0.87 -2.16 0.23 0.00 0.00 176.35 175.55 3dyi s PRO 108 N -1.95 3.69 0.00 1.29 0.04 -1.26 -4.50 135.00 132.31 3dyi s PRO 108 Ca 0.27 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.84 3dyi s PRO 108 Cb -0.13 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3dyi s PRO 108 CO 0.19 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.39 3dyi n GLY 109 N -1.96 0.49 3.65 0.56 0.00 -1.26 -5.02 105.19 101.65 3dyi n GLY 109 Ca 0.03 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3dyi n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dyi s ILE 110 N -2.00 5.28 0.01 -0.61 1.01 -1.26 -4.47 121.20 119.16 3dyi s ILE 110 Ca 0.00 0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.57 3dyi s ILE 110 Cb 0.00 -3.46 -0.17 0.00 0.01 0.00 0.00 42.46 38.84 3dyi s ILE 110 CO 0.00 0.36 1.30 0.74 0.00 0.00 0.00 174.94 177.33 3dyi h THR 111 N 5.01 1.37 -2.30 2.92 2.02 -1.58 -3.48 112.91 116.88 3dyi h THR 111 Ca -0.38 -1.26 0.20 0.00 0.77 0.00 0.00 66.41 65.74 3dyi h THR 111 Cb 1.17 2.04 -0.06 0.00 -1.74 0.00 0.00 68.15 69.56 3dyi h THR 111 CO 0.66 0.35 0.61 0.00 0.37 0.00 0.00 175.52 177.51 3dyi s ALA 112 N -4.23 -1.76 0.00 6.16 0.00 -1.25 -4.32 121.76 116.37 3dyi s ALA 112 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3dyi s ALA 112 Cb 0.03 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.84 3dyi s ALA 112 CO 0.72 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3dyi n GLY 113 N -0.62 -0.68 0.00 0.00 0.00 -1.14 -2.18 105.19 100.57 3dyi n GLY 113 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3dyi n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyi n GLY 114 N 0.00 -0.48 3.20 -0.02 0.00 -0.48 -0.44 105.19 106.97 3dyi n GLY 114 Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 3dyi n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dyi s VAL 115 N -3.39 1.25 -0.23 1.61 -7.23 -0.17 -2.17 120.40 110.07 3dyi s VAL 115 Ca 0.00 -1.36 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 3dyi s VAL 115 Cb 0.00 -1.19 0.03 0.00 0.56 0.00 0.00 36.38 35.78 3dyi s VAL 115 CO 0.00 -0.19 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.14 3dyi s PHE 116 N -1.25 3.02 -1.27 2.82 0.08 -0.13 -1.13 117.98 120.12 3dyi s PHE 116 Ca -0.00 -1.71 -0.19 0.00 0.12 0.00 0.00 56.93 55.15 3dyi s PHE 116 Cb -0.10 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 3dyi s PHE 116 CO 0.03 -0.77 0.58 0.43 -0.10 0.00 0.00 175.22 175.38 3dyi n SER 117 N 4.61 -3.08 -3.34 1.36 7.64 0.75 -1.13 113.62 120.43 3dyi n SER 117 Ca -0.17 -1.15 -0.23 0.00 1.01 0.00 0.00 58.87 58.32 3dyi n SER 117 Cb 0.47 -2.48 -0.09 0.00 -1.01 0.00 0.00 64.21 61.10 3dyi n SER 117 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3dyi s SER 118 N -3.79 1.48 0.36 6.43 0.15 -1.26 -3.14 113.70 113.92 3dyi s SER 118 Ca 0.33 -2.45 0.25 0.00 0.70 0.00 0.00 55.95 54.79 3dyi s SER 118 Cb -0.15 -0.02 1.28 0.00 -1.71 0.00 0.00 66.02 65.42 3dyi s SER 118 CO 0.92 -0.21 1.78 -0.65 1.20 0.00 0.00 173.24 176.28 3dyi h PRO 119 N 6.19 0.00 0.00 5.44 0.11 -1.90 -3.47 132.00 138.37 3dyi h PRO 119 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3dyi h PRO 119 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3dyi h PRO 119 CO 0.28 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.18 3dyi n ILE 120 N -2.40 0.00 -1.68 4.15 2.08 -1.26 -4.48 119.36 115.77 3dyi n ILE 120 Ca -0.01 0.00 -0.44 0.00 0.56 0.00 0.00 62.75 62.86 3dyi n ILE 120 Cb 0.11 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 38.96 3dyi n ILE 120 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3dyi n LEU 121 N 0.00 3.80 -4.76 1.39 4.32 -1.26 -4.68 117.00 115.80 3dyi n LEU 121 Ca 0.00 0.98 -0.37 0.00 -0.02 0.00 0.00 56.01 56.60 3dyi n LEU 121 Cb 0.00 -1.48 0.01 0.00 -1.62 0.00 0.00 43.42 40.33 3dyi n LEU 121 CO 0.00 0.06 0.88 -2.84 -1.22 0.00 0.00 177.39 174.27 3dyi s PRO 122 N 3.15 3.45 0.00 3.23 0.02 -1.26 -4.99 135.00 138.60 3dyi s PRO 122 Ca 0.86 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3dyi s PRO 122 Cb -0.55 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 31.68 3dyi s PRO 122 CO 0.42 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 3dyi n GLY 123 N 0.53 1.55 3.72 0.52 0.00 -1.26 -5.13 105.19 105.12 3dyi n GLY 123 Ca 0.09 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3dyi n GLY 123 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dyi n LYS 124 N 0.00 2.72 -4.10 1.61 0.00 -1.26 -4.91 118.16 112.22 3dyi n LYS 124 Ca 0.00 0.98 -0.13 0.00 -0.00 0.00 0.00 58.31 59.16 3dyi n LYS 124 Cb 0.00 -2.80 -0.06 0.00 -0.00 0.00 0.00 35.03 32.17 3dyi n LYS 124 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 3dyi s HIS 125 N 0.87 0.93 -0.25 5.58 -0.00 -1.26 -2.97 115.29 118.19 3dyi s HIS 125 Ca 0.73 -1.17 0.13 0.00 -0.00 0.00 0.00 55.06 54.75 3dyi s HIS 125 Cb -0.52 -0.16 0.47 0.00 -0.00 0.00 0.00 32.58 32.37 3dyi s HIS 125 CO 0.36 -0.95 1.17 0.72 -0.00 0.00 0.00 174.74 176.04 3dyi n HIS 126 N -0.44 1.80 0.16 0.38 8.25 0.38 -4.81 115.22 120.94 3dyi n HIS 126 Ca 0.01 -1.99 0.02 0.00 -0.26 0.00 0.00 57.72 55.51 3dyi n HIS 126 Cb 0.63 -0.29 0.25 0.00 1.12 0.00 0.00 29.99 31.70 3dyi n HIS 126 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3dyi h LEU 127 N 2.05 0.00 0.55 2.41 3.38 -1.93 -0.87 115.31 120.91 3dyi h LEU 127 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3dyi h LEU 127 Cb 1.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.18 3dyi h LEU 127 CO 0.46 0.49 -0.27 0.58 0.09 0.00 0.00 178.44 179.80 3dyi h VAL 128 N 0.00 0.31 -0.78 1.22 2.07 -1.97 0.13 116.25 117.24 3dyi h VAL 128 Ca -0.00 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3dyi h VAL 128 Cb 1.01 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3dyi h VAL 128 CO 0.06 0.04 0.51 -0.65 0.02 0.00 0.00 177.57 177.56 3dyi h PRO 129 N -1.01 0.93 0.00 1.57 0.11 -1.95 -1.89 132.00 129.75 3dyi h PRO 129 Ca -0.08 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.01 3dyi h PRO 129 Cb 0.64 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 3dyi h PRO 129 CO 0.12 0.61 -0.21 0.78 -0.21 0.00 0.00 178.00 179.09 3dyi h GLY 130 N 0.95 -0.30 0.99 -0.55 0.00 -1.07 -0.50 103.07 102.60 3dyi h GLY 130 Ca 0.31 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 3dyi h GLY 130 CO -0.09 -0.19 0.29 -2.75 0.00 0.00 0.00 176.54 173.80 3dyi h PHE 131 N -0.34 0.64 -0.70 5.60 3.57 -0.48 -1.13 116.94 124.11 3dyi h PHE 131 Ca 0.06 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3dyi h PHE 131 Cb 0.42 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3dyi h PHE 131 CO -0.26 0.45 0.30 -0.07 -2.23 0.00 0.00 178.31 176.51 3dyi h LEU 132 N 0.65 0.95 -0.64 0.59 3.38 -1.16 0.89 115.31 119.96 3dyi h LEU 132 Ca 0.17 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3dyi h LEU 132 Cb -0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3dyi h LEU 132 CO -0.03 0.84 0.25 0.11 0.09 0.00 0.00 178.44 179.70 3dyi h LYS 133 N 0.99 0.96 -0.17 1.13 6.56 -0.92 -0.65 116.57 124.46 3dyi h LYS 133 Ca 0.24 -0.18 0.01 0.00 -1.06 0.00 0.00 60.65 59.66 3dyi h LYS 133 Cb 0.18 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3dyi h LYS 133 CO -0.02 0.81 0.09 -0.92 -2.06 0.00 0.00 179.45 177.35 3dyi h TYR 134 N 0.90 0.17 -0.50 -1.35 3.20 -0.77 -1.93 116.97 116.70 3dyi h TYR 134 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3dyi h TYR 134 Cb 0.21 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3dyi h TYR 134 CO 0.01 0.10 0.33 0.00 -1.64 0.00 0.00 178.16 176.96 3dyi h ALA 135 N 1.08 0.63 -0.57 1.82 0.00 -0.59 -0.83 119.26 120.81 3dyi h ALA 135 Ca 0.07 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3dyi h ALA 135 Cb 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3dyi h ALA 135 CO -0.04 0.08 0.28 1.49 0.00 0.00 0.00 179.25 181.06 3dyi h GLU 136 N 0.67 0.51 -0.61 0.00 4.81 -0.98 0.96 114.58 119.94 3dyi h GLU 136 Ca 0.18 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3dyi h GLU 136 Cb -0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3dyi h GLU 136 CO -0.04 0.34 0.11 -0.92 -0.73 0.00 0.00 179.01 177.76 3dyi h TYR 137 N 0.52 1.03 -0.49 0.92 3.20 -0.98 -1.59 116.97 119.57 3dyi h TYR 137 Ca 0.26 -0.12 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 3dyi h TYR 137 Cb 0.21 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3dyi h TYR 137 CO -0.11 0.87 -0.17 0.52 -1.64 0.00 0.00 178.16 177.63 3dyi h MET 138 N 0.92 0.97 -0.78 1.82 2.86 -0.35 -2.26 114.93 118.13 3dyi h MET 138 Ca 0.19 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3dyi h MET 138 Cb 0.39 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 3dyi h MET 138 CO 0.01 1.06 0.41 -0.91 1.06 0.00 0.00 176.91 178.54 3dyi h ASN 139 N 0.85 0.98 -0.71 1.22 2.35 -0.68 -1.82 115.58 117.77 3dyi h ASN 139 Ca 0.12 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3dyi h ASN 139 Cb 0.73 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 3dyi h ASN 139 CO 0.06 0.80 0.33 -0.09 -1.65 0.00 0.00 177.43 176.88 3dyi h ARG 140 N 1.10 1.03 -0.40 0.81 9.65 -0.94 0.13 114.38 125.76 3dyi h ARG 140 Ca 0.27 -0.16 -0.14 0.00 -1.10 0.00 0.00 59.98 58.86 3dyi h ARG 140 Cb 0.05 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 3dyi h ARG 140 CO -0.04 0.82 -0.30 -0.07 2.80 0.00 0.00 179.97 183.18 3dyi h LEU 141 N 1.00 0.91 0.00 3.80 3.38 -1.27 -3.19 115.31 119.94 3dyi h LEU 141 Ca 0.24 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3dyi h LEU 141 Cb 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dyi h LEU 141 CO -0.03 1.13 -0.02 0.00 0.09 0.00 0.00 178.44 179.62 3dyi h ALA 142 N 0.92 0.99 -4.46 1.53 0.00 -1.02 -3.47 119.26 113.74 3dyi h ALA 142 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 3dyi h ALA 142 Cb 0.86 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.73 3dyi h ALA 142 CO 0.08 0.00 -0.54 0.41 0.00 0.00 0.00 179.25 179.19 3dyi n GLY 143 N 1.26 -0.31 3.66 0.00 0.00 0.33 -5.02 105.19 105.09 3dyi n GLY 143 Ca 0.05 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3dyi n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dyi s LYS 144 N -5.82 2.39 0.68 1.61 -2.85 -0.38 -5.04 119.74 110.32 3dyi s LYS 144 Ca 0.38 -1.08 -0.14 0.00 -1.00 0.00 0.00 55.97 54.13 3dyi s LYS 144 Cb -0.17 -2.36 0.01 0.00 -2.06 0.00 0.00 37.83 33.25 3dyi s LYS 144 CO 0.47 0.47 1.10 -1.54 0.10 0.00 0.00 175.35 175.95 3dyi s SER 145 N -2.83 5.02 0.35 0.03 1.04 -1.26 -4.60 113.70 111.43 3dyi s SER 145 Ca 0.27 1.95 -0.29 0.00 0.48 0.00 0.00 55.95 58.37 3dyi s SER 145 Cb -0.10 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.37 3dyi s SER 145 CO 0.18 -1.69 1.42 -0.62 0.98 0.00 0.00 173.24 173.51 3dyi s ASP 146 N -2.76 6.53 -0.13 7.02 2.15 -1.26 -4.95 116.67 123.26 3dyi s ASP 146 Ca 0.66 2.88 0.18 0.00 0.43 0.00 0.00 52.55 56.70 3dyi s ASP 146 Cb -0.20 -2.66 0.31 0.00 -0.30 0.00 0.00 42.92 40.08 3dyi s ASP 146 CO 0.44 -0.74 1.18 -0.62 -0.17 0.00 0.00 175.17 175.27 3dyi n GLU 147 N 0.81 1.53 -0.25 4.34 1.02 -1.26 -4.85 120.64 121.98 3dyi n GLU 147 Ca 0.01 -2.58 0.04 0.00 -0.02 0.00 0.00 57.16 54.61 3dyi n GLU 147 Cb 0.40 -1.53 0.17 0.00 -0.02 0.00 0.00 31.44 30.46 3dyi n GLU 147 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3dyi h SER 148 N 0.23 0.20 -0.40 1.62 0.02 -1.98 0.16 113.55 113.39 3dyi h SER 148 Ca 0.00 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3dyi h SER 148 Cb 1.04 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3dyi h SER 148 CO 0.03 0.07 0.13 0.74 -1.14 0.00 0.00 176.83 176.66 3dyi h THR 149 N 0.39 1.21 -0.83 -2.27 2.02 -1.99 0.77 112.91 112.22 3dyi h THR 149 Ca 0.40 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3dyi h THR 149 Cb 0.61 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3dyi h THR 149 CO -0.41 0.25 0.45 1.56 0.37 0.00 0.00 175.52 177.74 3dyi h GLN 150 N 0.51 1.16 -0.38 6.66 4.20 -1.78 -2.88 115.11 122.60 3dyi h GLN 150 Ca 0.13 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3dyi h GLN 150 Cb 0.25 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3dyi h GLN 150 CO -0.01 0.86 0.14 0.82 -0.67 0.00 0.00 178.83 179.97 3dyi h ILE 151 N 1.16 1.20 0.00 2.54 2.04 -0.55 -2.96 117.51 120.95 3dyi h ILE 151 Ca 0.29 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3dyi h ILE 151 Cb 0.04 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3dyi h ILE 151 CO -0.05 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.51 3dyi n LEU 152 N -4.65 0.68 0.22 1.44 4.77 0.23 -0.54 117.00 119.15 3dyi n LEU 152 Ca -0.01 0.70 0.08 0.00 -0.03 0.00 0.00 56.01 56.75 3dyi n LEU 152 Cb 0.15 -0.64 0.49 0.00 -2.33 0.00 0.00 43.42 41.09 3dyi n LEU 152 CO 0.37 -0.67 0.81 0.00 -1.33 0.00 0.00 177.39 176.56 3dyi h ALA 153 N 2.19 1.18 0.00 -1.18 0.00 -1.33 -3.37 119.26 116.75 3dyi h ALA 153 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3dyi h ALA 153 Cb 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3dyi h ALA 153 CO 0.00 0.33 -1.41 0.66 0.00 0.00 0.00 179.25 178.83 3dyi n TYR 154 N -3.66 0.00 0.11 0.00 4.01 -0.27 -4.81 117.16 112.54 3dyi n TYR 154 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 3dyi n TYR 154 Cb 0.38 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 39.05 3dyi n TYR 154 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3dyi h LEU 155 N 0.00 -0.27 -1.19 7.72 5.85 -0.98 -0.81 115.31 125.64 3dyi h LEU 155 Ca -0.16 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3dyi h LEU 155 Cb 1.35 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.42 3dyi h LEU 155 CO 0.00 -0.17 0.56 -0.65 -0.34 0.00 0.00 178.44 177.84 3dyi h PRO 156 N -0.26 1.04 -0.29 5.25 0.11 -1.85 -0.79 132.00 135.21 3dyi h PRO 156 Ca -0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3dyi h PRO 156 Cb 0.23 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3dyi h PRO 156 CO -0.00 0.69 0.15 0.78 -0.21 0.00 0.00 178.00 179.40 3dyi h GLY 157 N 1.07 0.43 1.15 -0.55 0.00 -1.78 -0.76 103.07 102.64 3dyi h GLY 157 Ca 0.33 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 3dyi h GLY 157 CO -0.10 0.19 -0.23 -1.61 0.00 0.00 0.00 176.54 174.80 3dyi h GLN 158 N 0.34 0.96 -0.65 4.80 4.15 -0.67 -0.45 115.11 123.60 3dyi h GLN 158 Ca 0.10 -0.41 -0.06 0.00 0.77 0.00 0.00 58.65 59.05 3dyi h GLN 158 Cb 0.08 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 3dyi h GLN 158 CO -0.02 1.08 0.18 -0.07 -1.93 0.00 0.00 178.83 178.07 3dyi h LEU 159 N 0.83 0.95 -0.83 -2.39 3.38 -1.11 -0.55 115.31 115.59 3dyi h LEU 159 Ca 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3dyi h LEU 159 Cb 0.80 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3dyi h LEU 159 CO 0.07 0.90 0.43 0.00 0.09 0.00 0.00 178.44 179.93 3dyi h ALA 160 N 1.22 1.07 -0.54 1.53 0.00 -0.89 -1.59 119.26 120.06 3dyi h ALA 160 Ca 0.21 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3dyi h ALA 160 Cb 0.32 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dyi h ALA 160 CO -0.00 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3dyi h ALA 161 N 1.23 0.96 -0.11 0.00 0.00 -0.43 0.95 119.26 121.86 3dyi h ALA 161 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dyi h ALA 161 Cb 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dyi h ALA 161 CO -0.04 0.63 0.04 0.82 0.00 0.00 0.00 179.25 180.70 3dyi h ILE 162 N 0.86 1.15 -0.71 0.00 2.04 -0.96 -1.49 117.51 118.39 3dyi h ILE 162 Ca 0.16 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3dyi h ILE 162 Cb 0.52 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 3dyi h ILE 162 CO 0.03 0.13 0.44 0.44 0.00 0.00 0.00 178.15 179.19 3dyi h ASP 163 N 0.02 0.72 -0.45 1.72 3.32 -0.99 0.38 116.42 121.13 3dyi h ASP 163 Ca 0.04 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3dyi h ASP 163 Cb 0.17 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3dyi h ASP 163 CO -0.00 0.49 0.28 -0.61 -1.72 0.00 0.00 179.24 177.68 3dyi h GLN 164 N 0.85 0.55 -0.40 3.56 4.15 -0.68 0.11 115.11 123.26 3dyi h GLN 164 Ca 0.29 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 3dyi h GLN 164 Cb 0.05 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3dyi h GLN 164 CO -0.12 0.37 0.24 0.35 -1.93 0.00 0.00 178.83 177.73 3dyi h PHE 165 N 0.57 0.52 -0.93 3.99 3.57 -0.88 -3.03 116.94 120.75 3dyi h PHE 165 Ca 0.17 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3dyi h PHE 165 Cb -0.02 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 3dyi h PHE 165 CO -0.06 0.38 0.61 0.00 -2.23 0.00 0.00 178.31 177.01 3dyi h ALA 166 N 1.10 1.37 -0.14 2.41 0.00 -0.33 -2.67 119.26 121.01 3dyi h ALA 166 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3dyi h ALA 166 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3dyi h ALA 166 CO -0.03 0.57 -0.20 1.79 0.00 0.00 0.00 179.25 181.38 3dyi h THR 167 N 1.22 1.21 -0.22 0.00 1.35 -0.87 0.27 112.91 115.87 3dyi h THR 167 Ca 0.35 -0.97 -0.05 0.00 -0.55 0.00 0.00 66.41 65.19 3dyi h THR 167 Cb -0.07 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 3dyi h THR 167 CO -0.09 0.30 -0.07 0.74 -0.25 0.00 0.00 175.52 176.15 3dyi h THR 168 N 0.22 1.29 -0.63 6.82 2.02 -1.48 -0.68 112.91 120.47 3dyi h THR 168 Ca 0.04 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.19 3dyi h THR 168 Cb 0.48 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 3dyi h THR 168 CO 0.03 0.33 0.34 0.58 0.37 0.00 0.00 175.52 177.17 3dyi h VAL 169 N 0.17 0.96 -0.64 3.16 2.07 -1.11 -1.96 116.25 118.90 3dyi h VAL 169 Ca 0.05 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3dyi h VAL 169 Cb 0.54 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3dyi h VAL 169 CO 0.03 0.11 0.34 0.00 0.02 0.00 0.00 177.57 178.07 3dyi h ALA 170 N 1.33 0.82 0.00 1.67 0.00 -0.33 -2.29 119.26 120.47 3dyi h ALA 170 Ca 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3dyi h ALA 170 Cb 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dyi h ALA 170 CO -0.18 0.35 -0.12 0.00 0.00 0.00 0.00 179.25 179.30 3dyi h ALA 171 N 1.16 1.21 -0.52 0.00 0.00 -0.74 -2.66 119.26 117.71 3dyi h ALA 171 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dyi h ALA 171 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dyi h ALA 171 CO -0.03 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.12 3dyi n ASP 172 N -3.53 3.23 0.28 0.00 8.00 -0.77 -4.48 116.55 119.28 3dyi n ASP 172 Ca -0.01 -1.97 0.13 0.00 0.71 0.00 0.00 54.79 53.64 3dyi n ASP 172 Cb 0.26 -0.34 0.81 0.00 -0.02 0.00 0.00 41.12 41.82 3dyi n ASP 172 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dyi h LEU 173 N 3.76 0.00 -2.79 0.64 3.38 -1.20 -0.70 115.31 118.40 3dyi h LEU 173 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dyi h LEU 173 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3dyi h LEU 173 CO 0.00 0.03 -0.00 -0.55 0.09 0.00 0.00 178.44 178.00 3dyi h ASN 174 N 0.00 0.00 1.57 -0.43 -1.07 -1.79 -2.48 115.58 111.38 3dyi h ASN 174 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3dyi h ASN 174 Cb 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 3dyi h ASN 174 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.43 177.44 3dyi h LEU 175 N 0.00 0.00 -9.11 6.14 3.38 -1.47 -3.41 115.31 110.84 3dyi h LEU 175 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3dyi h LEU 175 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3dyi h LEU 175 CO 0.00 0.00 1.06 -0.69 0.09 0.00 0.00 178.44 178.90 3dyi s VAL 176 N -3.18 3.83 -0.09 1.22 1.01 -0.93 -4.83 120.40 117.44 3dyi s VAL 176 Ca 0.09 0.97 0.17 0.00 0.00 0.00 0.00 61.98 63.21 3dyi s VAL 176 Cb 0.10 -3.75 -0.26 0.00 0.00 0.00 0.00 36.38 32.47 3dyi s VAL 176 CO 0.60 -0.22 0.26 0.29 0.00 0.00 0.00 175.10 176.03 3dyi n LYS 177 N 7.27 0.83 -1.94 2.72 4.76 -1.26 -1.80 118.16 128.74 3dyi n LYS 177 Ca 0.17 -0.10 -0.33 0.00 -2.87 0.00 0.00 58.31 55.18 3dyi n LYS 177 Cb 0.45 -1.45 0.03 0.00 -1.84 0.00 0.00 35.03 32.22 3dyi n LYS 177 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3dyi s GLN 178 N -2.92 3.08 0.24 1.97 1.11 -1.26 -1.00 119.66 120.88 3dyi s GLN 178 Ca -0.08 1.35 -0.31 0.00 0.01 0.00 0.00 55.36 56.34 3dyi s GLN 178 Cb 0.09 -1.99 -0.14 0.00 -1.01 0.00 0.00 33.01 29.96 3dyi s GLN 178 CO 0.75 -1.03 1.25 -2.30 0.01 0.00 0.00 175.29 173.97 3dyi n PRO 179 N -2.10 1.67 -4.78 2.91 -0.02 -1.26 -3.67 135.00 127.75 3dyi n PRO 179 Ca 0.10 0.59 -0.27 0.00 -2.02 0.00 0.00 63.50 61.90 3dyi n PRO 179 Cb 0.52 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.70 3dyi n PRO 179 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dyi s THR 180 N -0.40 1.44 -0.14 3.45 2.01 -0.16 -2.89 115.64 118.95 3dyi s THR 180 Ca 0.66 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 3dyi s THR 180 Cb -0.71 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3dyi s THR 180 CO 0.54 0.42 0.24 0.12 -0.69 0.00 0.00 174.62 175.25 3dyi s PHE 181 N 0.57 3.52 -0.15 4.92 5.36 0.42 -0.38 117.98 132.23 3dyi s PHE 181 Ca -0.16 0.59 -0.00 0.00 -0.96 0.00 0.00 56.93 56.40 3dyi s PHE 181 Cb -0.16 -2.21 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 3dyi s PHE 181 CO 0.05 0.42 -0.09 0.42 -1.46 0.00 0.00 175.22 174.56 3dyi s ILE 182 N -0.10 1.30 -0.09 3.12 1.01 0.38 -1.00 121.20 125.82 3dyi s ILE 182 Ca 0.16 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3dyi s ILE 182 Cb -0.13 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3dyi s ILE 182 CO 0.04 0.27 -0.16 -0.83 0.00 0.00 0.00 174.94 174.27 3dyi s GLY 183 N 1.57 1.49 -0.02 6.18 0.00 -0.29 0.21 107.32 116.47 3dyi s GLY 183 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3dyi s GLY 183 CO -0.09 -0.49 0.02 1.62 0.00 0.00 0.00 173.10 174.17 3dyi s GLN 184 N -0.15 0.03 0.25 2.90 2.00 -0.25 -0.18 119.66 124.26 3dyi s GLN 184 Ca -0.01 0.15 -0.30 0.00 -2.00 0.00 0.00 55.36 53.20 3dyi s GLN 184 Cb -0.14 -0.28 -0.10 0.00 0.80 0.00 0.00 33.01 33.30 3dyi s GLN 184 CO 0.03 -0.15 1.47 0.00 -0.50 0.00 0.00 175.29 176.14 3dyi s ALA 185 N 0.99 3.65 -1.03 1.58 0.00 -1.26 -1.23 121.76 124.46 3dyi s ALA 185 Ca -0.09 1.36 0.26 0.00 0.00 0.00 0.00 51.96 53.49 3dyi s ALA 185 Cb -0.12 -3.57 0.71 0.00 0.00 0.00 0.00 23.12 20.13 3dyi s ALA 185 CO -0.03 -0.77 1.55 0.41 0.00 0.00 0.00 175.76 176.93 3dyi n GLY 186 N 2.33 -1.29 2.57 0.00 0.00 0.33 -3.79 105.19 105.33 3dyi n GLY 186 Ca 0.07 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 3dyi n GLY 186 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dyi n GLN 187 N -1.47 2.21 -2.39 1.61 1.13 -0.03 -4.85 117.38 113.59 3dyi n GLN 187 Ca 0.06 -3.83 -0.43 0.00 -1.94 0.00 0.00 57.00 50.87 3dyi n GLN 187 Cb 0.34 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 28.95 3dyi n GLN 187 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3dyi s ASP 188 N -3.33 6.51 0.00 1.08 -1.08 -1.25 -4.24 116.67 114.36 3dyi s ASP 188 Ca 0.37 0.99 0.27 0.00 -0.52 0.00 0.00 52.55 53.66 3dyi s ASP 188 Cb 0.43 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 40.31 3dyi s ASP 188 CO -0.06 -1.26 1.69 -1.84 0.52 0.00 0.00 175.17 174.22 3dyi n GLU 189 N 7.71 0.90 -0.06 4.34 0.00 -1.26 -4.34 120.64 127.93 3dyi n GLU 189 Ca 0.15 -0.46 -0.11 0.00 0.00 0.00 0.00 57.16 56.75 3dyi n GLU 189 Cb 0.47 -1.49 -0.05 0.00 0.00 0.00 0.00 31.44 30.37 3dyi n GLU 189 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3dyi n LEU 190 N -0.65 1.93 -4.46 -1.84 -0.00 -1.26 -4.56 117.00 106.16 3dyi n LEU 190 Ca 0.14 0.04 -0.22 0.00 -0.00 0.00 0.00 56.01 55.97 3dyi n LEU 190 Cb 0.32 -0.38 -0.10 0.00 -0.00 0.00 0.00 43.42 43.26 3dyi n LEU 190 CO 0.24 0.47 -0.36 0.68 -0.00 0.00 0.00 177.39 178.42 3dyi s VAL 191 N -2.23 1.77 -0.76 1.96 -7.23 -1.26 -0.47 120.40 112.18 3dyi s VAL 191 Ca -0.16 -2.14 -0.26 0.00 -1.81 0.00 0.00 61.98 57.61 3dyi s VAL 191 Cb 0.05 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.51 3dyi s VAL 191 CO 0.24 -0.26 1.25 -0.62 -0.31 0.00 0.00 175.10 175.40 3dyi s ASP 192 N -3.49 6.21 0.51 4.85 -1.08 -1.16 -4.76 116.67 117.75 3dyi s ASP 192 Ca 0.31 -0.67 0.21 0.00 -0.52 0.00 0.00 52.55 51.88 3dyi s ASP 192 Cb 0.04 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.26 3dyi s ASP 192 CO 0.13 -1.73 2.02 1.23 0.52 0.00 0.00 175.17 177.34 3dyi h GLY 193 N 12.70 0.12 0.88 2.66 0.00 -1.87 -2.14 103.07 115.42 3dyi h GLY 193 Ca -0.22 -0.03 0.15 0.00 0.00 0.00 0.00 47.33 47.23 3dyi h GLY 193 CO 1.28 0.02 0.41 3.21 0.00 0.00 0.00 176.54 181.46 3dyi h ARG 194 N 0.08 0.09 0.00 4.80 3.08 -1.94 -1.39 114.38 119.09 3dyi h ARG 194 Ca 0.22 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3dyi h ARG 194 Cb 0.76 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3dyi h ARG 194 CO -0.02 0.06 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.84 3dyi h LEU 195 N 0.09 0.00 -1.91 3.04 4.07 -1.77 -2.42 115.31 116.42 3dyi h LEU 195 Ca 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 3dyi h LEU 195 Cb 0.98 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 3dyi h LEU 195 CO -0.03 0.03 -0.04 0.00 -1.08 0.00 0.00 178.44 177.32 3dyi h ALA 196 N 1.97 1.92 -0.24 1.53 0.00 -1.44 -1.05 119.26 121.95 3dyi h ALA 196 Ca -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3dyi h ALA 196 Cb 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3dyi h ALA 196 CO 0.00 0.06 -0.34 1.88 0.00 0.00 0.00 179.25 180.85 3dyi h TYR 197 N 0.00 0.60 -0.19 0.00 0.05 -1.61 -1.52 116.97 114.30 3dyi h TYR 197 Ca 0.00 -0.15 -0.17 0.00 0.05 0.00 0.00 58.73 58.46 3dyi h TYR 197 Cb 0.08 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.68 3dyi h TYR 197 CO 0.00 0.79 -0.57 1.96 -1.05 0.00 0.00 178.16 179.30 3dyi h GLN 198 N 0.44 0.59 0.13 4.88 4.20 -1.37 -1.75 115.11 122.23 3dyi h GLN 198 Ca 0.05 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3dyi h GLN 198 Cb 0.80 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3dyi h GLN 198 CO 0.07 0.99 -0.12 1.25 -0.67 0.00 0.00 178.83 180.35 3dyi h LEU 199 N 0.45 -0.33 -0.57 1.46 5.85 -1.09 -0.86 115.31 120.23 3dyi h LEU 199 Ca 0.00 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.87 3dyi h LEU 199 Cb 1.12 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.16 3dyi h LEU 199 CO 0.11 -0.19 -0.15 -0.09 -0.34 0.00 0.00 178.44 177.77 3dyi h ARG 200 N -0.28 -0.01 0.00 1.25 2.43 -1.21 -2.23 114.38 114.33 3dyi h ARG 200 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3dyi h ARG 200 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3dyi h ARG 200 CO -0.03 -0.01 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.88 3dyi h ASP 201 N -0.01 0.00 1.89 -3.80 3.32 -1.02 -2.87 116.42 113.92 3dyi h ASP 201 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3dyi h ASP 201 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3dyi h ASP 201 CO -0.59 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.03 3dyi h ALA 202 N 1.90 1.00 -0.12 3.45 0.00 -0.54 -3.38 119.26 121.57 3dyi h ALA 202 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 3dyi h ALA 202 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3dyi h ALA 202 CO 0.01 0.00 2.62 1.28 0.00 0.00 0.00 179.25 183.16 3dyi n LEU 203 N -2.97 7.85 0.28 0.00 4.77 -1.08 -4.19 117.00 121.65 3dyi n LEU 203 Ca 0.04 -4.19 0.17 0.00 -0.03 0.00 0.00 56.01 52.00 3dyi n LEU 203 Cb 0.51 -1.49 0.79 0.00 -2.33 0.00 0.00 43.42 40.90 3dyi n LEU 203 CO 0.33 1.98 1.02 0.16 -1.33 0.00 0.00 177.39 179.55 3dyi h ILE 204 N 2.69 0.14 -0.01 -0.08 3.07 -1.82 -2.79 117.51 118.71 3dyi h ILE 204 Ca 0.69 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 66.64 3dyi h ILE 204 Cb 0.56 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 3dyi h ILE 204 CO 1.38 0.04 -0.11 0.59 -1.05 0.00 0.00 178.15 179.00 3dyi n ASN 205 N -3.20 1.69 -4.76 2.16 3.02 -1.26 -5.01 115.26 107.90 3dyi n ASN 205 Ca -0.01 -1.35 -0.41 0.00 -0.03 0.00 0.00 54.58 52.79 3dyi n ASN 205 Cb 0.25 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 3dyi n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dyi s ALA 206 N -1.24 3.60 0.36 5.41 0.00 -0.74 -4.39 121.76 124.76 3dyi s ALA 206 Ca 0.12 1.42 0.08 0.00 0.00 0.00 0.00 51.96 53.58 3dyi s ALA 206 Cb 0.10 -3.57 0.79 0.00 0.00 0.00 0.00 23.12 20.44 3dyi s ALA 206 CO 0.22 -0.84 1.91 0.00 0.00 0.00 0.00 175.76 177.04 3dyi h ALA 207 N 4.00 1.78 -2.50 0.00 0.00 -1.14 -3.43 119.26 117.98 3dyi h ALA 207 Ca -0.48 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3dyi h ALA 207 Cb 1.23 -0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 3dyi h ALA 207 CO 0.71 0.04 0.15 -0.98 0.00 0.00 0.00 179.25 179.17 3dyi s ARG 208 N -5.67 1.13 -0.20 0.00 1.70 -1.26 -4.94 118.95 109.70 3dyi s ARG 208 Ca -0.10 -0.14 0.01 0.00 -0.47 0.00 0.00 55.73 55.03 3dyi s ARG 208 Cb 0.21 0.52 0.04 0.00 -0.57 0.00 0.00 34.95 35.15 3dyi s ARG 208 CO 0.78 -0.42 -0.12 0.08 -1.08 0.00 0.00 175.30 174.54 3dyi s VAL 209 N -2.46 1.78 -0.49 4.99 1.01 -1.26 -0.99 120.40 122.98 3dyi s VAL 209 Ca -0.05 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.73 3dyi s VAL 209 Cb -0.01 -1.80 0.10 0.00 0.00 0.00 0.00 36.38 34.67 3dyi s VAL 209 CO -0.02 0.23 0.42 -0.62 0.00 0.00 0.00 175.10 175.11 3dyi s ASP 210 N 1.35 6.07 -0.20 3.32 2.15 0.49 -4.99 116.67 124.86 3dyi s ASP 210 Ca -0.01 -1.56 -0.06 0.00 0.43 0.00 0.00 52.55 51.35 3dyi s ASP 210 Cb -0.16 -2.16 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 3dyi s ASP 210 CO -0.09 -0.72 0.02 0.12 -0.17 0.00 0.00 175.17 174.34 3dyi s PHE 211 N 1.58 3.09 -0.04 -5.34 5.36 -1.26 -0.47 117.98 120.90 3dyi s PHE 211 Ca 0.04 -0.30 0.02 0.00 -0.96 0.00 0.00 56.93 55.73 3dyi s PHE 211 Cb -0.26 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.34 3dyi s PHE 211 CO 0.04 -0.13 -0.10 -1.01 -1.46 0.00 0.00 175.22 172.56 3dyi s HIS 212 N 0.85 1.14 -0.18 10.12 3.76 0.13 -4.98 115.29 126.13 3dyi s HIS 212 Ca 0.02 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.56 3dyi s HIS 212 Cb -0.14 -0.84 -0.01 0.00 1.11 0.00 0.00 32.58 32.70 3dyi s HIS 212 CO 0.02 -0.18 -0.10 -0.46 -0.85 0.00 0.00 174.74 173.17 3dyi s TRP 213 N 0.46 2.88 -0.70 1.40 -0.11 -1.26 -1.08 118.94 120.52 3dyi s TRP 213 Ca -0.09 -0.91 -0.13 0.00 1.22 0.00 0.00 56.10 56.19 3dyi s TRP 213 Cb -0.12 -1.97 0.18 0.00 -1.50 0.00 0.00 33.47 30.05 3dyi s TRP 213 CO 0.02 -0.44 0.63 0.71 -4.62 0.00 0.00 176.95 173.24 3dyi s TYR 214 N 0.99 3.56 0.18 5.86 2.02 -0.37 -4.96 117.35 124.64 3dyi s TYR 214 Ca -0.01 -1.84 -0.22 0.00 -0.37 0.00 0.00 57.07 54.63 3dyi s TYR 214 Cb -0.15 -3.74 0.11 0.00 -0.40 0.00 0.00 41.96 37.78 3dyi s TYR 214 CO -0.01 -0.99 1.58 -0.44 -1.57 0.00 0.00 175.55 174.12 3dyi h ASP 215 N 8.10 -1.27 -0.39 2.29 5.19 -1.93 0.11 116.42 128.52 3dyi h ASP 215 Ca -0.05 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 3dyi h ASP 215 Cb 1.05 0.61 0.00 0.00 0.18 0.00 0.00 39.33 41.18 3dyi h ASP 215 CO 0.84 -0.31 0.00 -0.90 -3.12 0.00 0.00 179.24 175.75 3dyi n ASP 216 N -5.43 3.33 -4.79 6.45 5.75 -1.26 -3.81 116.55 116.80 3dyi n ASP 216 Ca 0.04 -1.95 -0.38 0.00 -0.01 0.00 0.00 54.79 52.49 3dyi n ASP 216 Cb 0.36 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.13 3dyi n ASP 216 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dyi s ALA 217 N -1.32 3.44 1.09 2.12 0.00 -0.96 -4.68 121.76 121.44 3dyi s ALA 217 Ca 0.36 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 3dyi s ALA 217 Cb 0.21 -2.91 0.25 0.00 0.00 0.00 0.00 23.12 20.67 3dyi s ALA 217 CO 0.28 0.30 1.23 0.15 0.00 0.00 0.00 175.76 177.72 3dyi s LYS 218 N -1.41 -0.35 0.19 0.00 -0.14 -1.26 -0.85 119.74 115.92 3dyi s LYS 218 Ca 0.38 -0.28 -0.14 0.00 -1.36 0.00 0.00 55.97 54.57 3dyi s LYS 218 Cb -0.21 -1.72 0.19 0.00 -1.68 0.00 0.00 37.83 34.41 3dyi s LYS 218 CO 0.24 -3.10 1.66 1.25 -0.76 0.00 0.00 175.35 174.64 3dyi h HIS 219 N -2.14 -0.19 -1.10 3.18 2.76 -1.92 -3.34 115.15 112.41 3dyi h HIS 219 Ca -0.44 0.04 -0.73 0.00 -2.20 0.00 0.00 60.37 57.04 3dyi h HIS 219 Cb 1.26 0.16 -0.12 0.00 1.55 0.00 0.00 27.41 30.26 3dyi h HIS 219 CO -1.75 -0.19 2.22 0.28 -1.30 0.00 0.00 177.93 177.19 3dyi n VAL 220 N -5.33 4.06 0.34 5.26 0.31 -1.26 -4.72 118.33 116.99 3dyi n VAL 220 Ca 0.06 -4.06 0.11 0.00 -0.01 0.00 0.00 64.34 60.43 3dyi n VAL 220 Cb 0.29 -2.44 0.47 0.00 -0.91 0.00 0.00 33.84 31.24 3dyi n VAL 220 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3dyi n ILE 221 N 4.32 0.95 0.47 2.52 -5.35 -1.25 -1.44 119.36 119.57 3dyi n ILE 221 Ca 0.43 0.35 0.13 0.00 -0.27 0.00 0.00 62.75 63.40 3dyi n ILE 221 Cb 0.39 -1.28 0.44 0.00 -1.74 0.00 0.00 39.64 37.44 3dyi n ILE 221 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3dyi h THR 222 N 0.00 0.00 0.00 7.28 1.35 -1.86 -2.97 112.91 116.71 3dyi h THR 222 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3dyi h THR 222 Cb 0.26 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3dyi h THR 222 CO 0.00 0.00 -0.91 0.52 -0.25 0.00 0.00 175.52 174.88 3dyi n VAL 223 N -2.43 0.00 -0.57 6.82 0.31 -0.52 -4.45 118.33 117.49 3dyi n VAL 223 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3dyi n VAL 223 Cb 0.36 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 3dyi n VAL 223 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3dyi n ASN 224 N -2.08 0.00 0.30 4.52 0.23 -0.57 -4.81 115.26 112.84 3dyi n ASN 224 Ca 0.00 -0.41 0.19 0.00 -0.53 0.00 0.00 54.58 53.83 3dyi n ASN 224 Cb 0.45 0.00 1.00 0.00 -2.08 0.00 0.00 39.78 39.15 3dyi n ASN 224 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3dyi h SER 225 N 0.00 0.00 0.77 0.53 4.64 -1.89 -1.37 113.55 116.23 3dyi h SER 225 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dyi h SER 225 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dyi h SER 225 CO 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 3dyi n ALA 226 N -2.13 2.46 -0.26 5.18 0.00 -1.26 -4.44 120.51 120.05 3dyi n ALA 226 Ca -0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 3dyi n ALA 226 Cb 0.21 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 18.25 3dyi n ALA 226 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3dyi h HIS 227 N 0.03 1.19 -0.48 0.00 2.07 -1.07 -0.27 115.15 116.61 3dyi h HIS 227 Ca 0.00 -0.13 0.02 0.00 -2.85 0.00 0.00 60.37 57.41 3dyi h HIS 227 Cb 0.41 -0.34 -0.03 0.00 2.57 0.00 0.00 27.41 30.01 3dyi h HIS 227 CO 0.00 0.95 0.29 0.45 -3.07 0.00 0.00 177.93 176.55 3dyi h HIS 228 N 1.08 0.54 -0.49 6.12 3.86 -1.83 0.60 115.15 125.03 3dyi h HIS 228 Ca 0.23 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 3dyi h HIS 228 Cb 0.33 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3dyi h HIS 228 CO 0.03 0.31 0.19 0.00 0.86 0.00 0.00 177.93 179.32 3dyi h ALA 229 N 1.21 0.64 -0.24 2.45 0.00 -1.70 -1.83 119.26 119.78 3dyi h ALA 229 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dyi h ALA 229 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dyi h ALA 229 CO -0.08 0.26 0.13 1.25 0.00 0.00 0.00 179.25 180.80 3dyi h LEU 230 N 0.65 0.31 -0.52 0.00 5.85 -0.72 -0.87 115.31 120.01 3dyi h LEU 230 Ca 0.16 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3dyi h LEU 230 Cb 0.21 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3dyi h LEU 230 CO -0.01 0.32 0.21 -0.33 -0.34 0.00 0.00 178.44 178.29 3dyi h GLU 231 N 0.28 0.40 -0.50 1.25 5.08 -0.76 0.12 114.58 120.44 3dyi h GLU 231 Ca 0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3dyi h GLU 231 Cb 0.08 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3dyi h GLU 231 CO -0.01 0.26 0.32 0.93 -1.00 0.00 0.00 179.01 179.52 3dyi h GLU 232 N 0.41 0.64 -0.47 2.33 5.08 -1.03 -0.69 114.58 120.85 3dyi h GLU 232 Ca 0.25 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 3dyi h GLU 232 Cb 0.23 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3dyi h GLU 232 CO -0.22 0.42 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.59 3dyi h ASP 233 N 0.66 0.94 -0.32 1.42 3.32 -0.59 -0.43 116.42 121.43 3dyi h ASP 233 Ca 0.19 -0.34 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 3dyi h ASP 233 Cb -0.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3dyi h ASP 233 CO -0.05 1.10 -0.15 0.58 -1.72 0.00 0.00 179.24 179.01 3dyi h VAL 234 N 0.81 1.29 -0.55 -1.35 2.07 -0.62 -1.09 116.25 116.82 3dyi h VAL 234 Ca 0.11 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 3dyi h VAL 234 Cb 0.74 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3dyi h VAL 234 CO 0.06 0.40 0.11 0.40 0.02 0.00 0.00 177.57 178.56 3dyi h ILE 235 N 0.44 1.25 -0.74 4.57 2.04 -1.01 -0.65 117.51 123.42 3dyi h ILE 235 Ca 0.07 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.03 3dyi h ILE 235 Cb 0.67 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3dyi h ILE 235 CO 0.05 0.34 0.48 0.00 0.00 0.00 0.00 178.15 179.01 3dyi h ALA 236 N 1.00 0.95 -0.07 1.87 0.00 -1.02 -0.02 119.26 121.97 3dyi h ALA 236 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3dyi h ALA 236 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dyi h ALA 236 CO 0.01 0.31 -0.02 0.35 0.00 0.00 0.00 179.25 179.90 3dyi h PHE 237 N 0.96 -0.04 -0.82 0.00 3.57 -0.83 -1.55 116.94 118.23 3dyi h PHE 237 Ca 0.28 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3dyi h PHE 237 Cb -0.06 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3dyi h PHE 237 CO -0.03 -0.03 0.42 0.52 -2.23 0.00 0.00 178.31 176.96 3dyi h MET 238 N -0.00 1.17 -0.21 1.11 2.86 -0.77 -2.46 114.93 116.63 3dyi h MET 238 Ca 0.03 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 3dyi h MET 238 Cb 0.05 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 3dyi h MET 238 CO -0.07 0.89 -0.27 1.96 1.06 0.00 0.00 176.91 180.47 3dyi h GLN 239 N 1.16 0.40 -0.06 1.72 4.20 -0.83 -2.27 115.11 119.43 3dyi h GLN 239 Ca 0.29 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 3dyi h GLN 239 Cb 0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3dyi h GLN 239 CO -0.04 0.64 -0.25 0.37 -0.67 0.00 0.00 178.83 178.88 3dyi h GLN 240 N 0.35 0.10 -0.56 1.46 5.75 -0.86 -2.98 115.11 118.37 3dyi h GLN 240 Ca 0.05 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3dyi h GLN 240 Cb 0.67 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.21 3dyi h GLN 240 CO 0.05 0.35 0.00 0.39 -2.65 0.00 0.00 178.83 176.97 3dyi n GLU 241 N -4.21 4.19 0.00 1.69 -0.58 -0.89 -5.11 120.64 115.74 3dyi n GLU 241 Ca -0.02 -3.00 0.15 0.00 -0.42 0.00 0.00 57.16 53.87 3dyi n GLU 241 Cb 0.33 -2.05 0.87 0.00 -0.57 0.00 0.00 31.44 30.02 3dyi n GLU 241 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94