#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcy s LEU -3 N 0.00 4.50 -0.14 3.41 1.43 -1.26 -4.92 118.68 121.70 3dcy s LEU -3 Ca 0.00 1.69 -0.24 0.00 -1.03 0.00 0.00 54.13 54.54 3dcy s LEU -3 Cb 0.00 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3dcy s LEU -3 CO 0.00 -0.01 0.78 -0.47 0.23 0.00 0.00 176.35 176.88 3dcy s TYR -2 N -0.16 3.47 0.14 0.29 5.04 -1.26 -4.14 117.35 120.73 3dcy s TYR -2 Ca 0.43 1.24 0.10 0.00 -2.44 0.00 0.00 57.07 56.40 3dcy s TYR -2 Cb -0.23 -2.93 -0.04 0.00 0.35 0.00 0.00 41.96 39.11 3dcy s TYR -2 CO 0.28 -0.13 -0.25 -0.06 -1.34 0.00 0.00 175.55 174.05 3dcy s PHE -1 N 1.69 2.17 0.97 4.97 0.08 -0.42 -4.98 117.98 122.46 3dcy s PHE -1 Ca 0.38 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.91 3dcy s PHE -1 Cb -0.17 -1.15 0.17 0.00 -0.57 0.00 0.00 43.02 41.30 3dcy s PHE -1 CO 0.15 0.35 1.12 -0.65 -0.10 0.00 0.00 175.22 176.08 3dcy s GLN 0 N -2.22 0.69 0.58 0.44 -0.21 -1.26 -0.99 119.66 116.69 3dcy s GLN 0 Ca 0.14 0.36 -0.20 0.00 0.02 0.00 0.00 55.36 55.68 3dcy s GLN 0 Cb -0.09 -1.78 -0.04 0.00 1.00 0.00 0.00 33.01 32.10 3dcy s GLN 0 CO 0.07 -2.52 1.33 -1.54 -2.12 0.00 0.00 175.29 170.51 3dcy s SER 1 N -3.77 5.04 0.03 5.90 1.04 -1.26 -4.50 113.70 116.18 3dcy s SER 1 Ca 0.65 2.71 -0.20 0.00 0.48 0.00 0.00 55.95 59.58 3dcy s SER 1 Cb -0.16 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.37 3dcy s SER 1 CO 0.55 -1.72 0.46 0.00 0.98 0.00 0.00 173.24 173.51 3dcy s ALA 2 N -1.34 -1.14 -0.00 5.32 0.00 -0.35 -4.93 121.76 119.32 3dcy s ALA 2 Ca 0.75 0.48 -0.00 0.00 0.00 0.00 0.00 51.96 53.19 3dcy s ALA 2 Cb -0.39 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3dcy s ALA 2 CO 0.44 -0.45 0.00 1.03 0.00 0.00 0.00 175.76 176.79 3dcy s ARG 3 N -2.26 -0.00 0.05 0.00 0.52 -1.26 -0.24 118.95 115.76 3dcy s ARG 3 Ca -0.07 0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.09 3dcy s ARG 3 Cb -0.01 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 3dcy s ARG 3 CO -0.01 -0.01 0.11 -0.59 0.02 0.00 0.00 175.30 174.83 3dcy s PHE 4 N 0.03 0.21 0.03 -0.53 -0.12 -0.57 0.43 117.98 117.46 3dcy s PHE 4 Ca -0.00 -0.54 -0.06 0.00 -0.05 0.00 0.00 56.93 56.28 3dcy s PHE 4 Cb -0.00 -0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.20 3dcy s PHE 4 CO -0.00 -0.40 0.28 0.00 -0.05 0.00 0.00 175.22 175.06 3dcy s ALA 5 N -2.89 3.85 -0.17 1.99 0.00 -0.53 -0.68 121.76 123.33 3dcy s ALA 5 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 3dcy s ALA 5 Cb 0.01 -2.07 0.05 0.00 0.00 0.00 0.00 23.12 21.11 3dcy s ALA 5 CO -0.06 0.66 0.00 -1.17 0.00 0.00 0.00 175.76 175.19 3dcy s LEU 6 N -1.92 1.28 -0.21 0.00 2.96 0.13 -0.95 118.68 119.96 3dcy s LEU 6 Ca 0.30 -0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 3dcy s LEU 6 Cb -0.13 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 3dcy s LEU 6 CO 0.18 -0.25 0.08 -0.89 -1.32 0.00 0.00 176.35 174.15 3dcy s THR 7 N 1.79 4.67 -0.15 3.68 2.01 0.54 -1.29 115.64 126.89 3dcy s THR 7 Ca 0.00 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3dcy s THR 7 Cb -0.16 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.21 3dcy s THR 7 CO -0.07 0.40 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.38 3dcy s VAL 8 N 0.94 2.34 -0.08 3.82 1.01 0.32 0.05 120.40 128.79 3dcy s VAL 8 Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3dcy s VAL 8 Cb -0.14 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3dcy s VAL 8 CO 0.03 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.86 3dcy s VAL 9 N 0.86 1.14 0.49 2.92 1.01 0.31 -0.99 120.40 126.14 3dcy s VAL 9 Ca -0.05 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 3dcy s VAL 9 Cb -0.15 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 3dcy s VAL 9 CO -0.02 0.37 1.10 -0.60 0.00 0.00 0.00 175.10 175.94 3dcy s ARG 10 N 0.97 3.67 0.92 2.72 3.52 -0.94 -1.44 118.95 128.37 3dcy s ARG 10 Ca -0.09 1.55 -0.10 0.00 -0.13 0.00 0.00 55.73 56.96 3dcy s ARG 10 Cb -0.15 -2.17 0.15 0.00 -1.56 0.00 0.00 34.95 31.22 3dcy s ARG 10 CO -0.00 -0.57 1.13 -3.38 -0.81 0.00 0.00 175.30 171.67 3dcy s HIS 11 N -1.78 1.70 0.96 5.12 -3.43 -0.63 -1.58 115.29 115.64 3dcy s HIS 11 Ca 0.68 1.73 -0.12 0.00 -0.80 0.00 0.00 55.06 56.55 3dcy s HIS 11 Cb -0.22 -3.30 0.16 0.00 -1.43 0.00 0.00 32.58 27.80 3dcy s HIS 11 CO 0.26 -2.78 1.09 0.20 -2.00 0.00 0.00 174.74 171.51 3dcy s GLY 12 N -2.74 1.61 0.34 -1.38 0.00 -1.26 -2.54 107.32 101.35 3dcy s GLY 12 Ca 0.66 -0.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.07 3dcy s GLY 12 CO 0.58 0.51 1.44 -2.21 0.00 0.00 0.00 173.10 173.42 3dcy n GLU 13 N -4.14 2.46 -3.82 2.90 2.13 -1.26 -4.88 120.64 114.03 3dcy n GLU 13 Ca 0.07 0.87 -0.22 0.00 0.66 0.00 0.00 57.16 58.53 3dcy n GLU 13 Cb 0.55 -2.55 -0.05 0.00 0.27 0.00 0.00 31.44 29.66 3dcy n GLU 13 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3dcy s THR 14 N -0.82 2.70 0.30 6.31 -4.23 -1.26 -1.53 115.64 117.11 3dcy s THR 14 Ca 0.57 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 3dcy s THR 14 Cb -0.52 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 70.60 3dcy s THR 14 CO 0.59 -0.04 1.69 -0.09 -0.54 0.00 0.00 174.62 176.24 3dcy h ARG 15 N 1.23 0.39 -0.05 3.99 2.43 -1.89 -2.15 114.38 118.34 3dcy h ARG 15 Ca -0.42 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.50 3dcy h ARG 15 Cb 1.26 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3dcy h ARG 15 CO 0.62 0.26 -0.87 0.74 -1.51 0.00 0.00 179.97 179.21 3dcy h PHE 16 N 0.41 0.75 -0.63 2.20 0.04 -1.92 -2.51 116.94 115.27 3dcy h PHE 16 Ca 0.58 -0.37 0.06 0.00 2.80 0.00 0.00 57.97 61.04 3dcy h PHE 16 Cb 1.13 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 39.13 3dcy h PHE 16 CO -0.12 1.18 0.34 -0.91 -0.60 0.00 0.00 178.31 178.20 3dcy h ASN 17 N 0.33 0.49 -0.77 2.17 2.35 -1.63 0.22 115.58 118.73 3dcy h ASN 17 Ca -0.07 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3dcy h ASN 17 Cb 1.49 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.77 3dcy h ASN 17 CO 0.16 0.32 0.48 0.50 -1.65 0.00 0.00 177.43 177.24 3dcy h LYS 18 N 0.63 1.04 -0.20 0.81 1.63 -1.26 -2.56 116.57 116.66 3dcy h LYS 18 Ca 0.28 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3dcy h LYS 18 Cb 0.19 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3dcy h LYS 18 CO -0.19 0.73 0.00 0.39 -3.45 0.00 0.00 179.45 176.93 3dcy n GLU 19 N -4.50 1.74 -3.68 1.90 -0.58 -0.94 -4.92 120.64 109.66 3dcy n GLU 19 Ca 0.07 -1.11 -0.24 0.00 -0.42 0.00 0.00 57.16 55.45 3dcy n GLU 19 Cb 0.05 -1.37 0.06 0.00 -0.57 0.00 0.00 31.44 29.61 3dcy n GLU 19 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dcy n LYS 20 N 0.35 -6.73 -3.79 3.49 4.76 -0.30 -4.93 118.16 111.01 3dcy n LYS 20 Ca 0.15 0.74 -0.36 0.00 -2.87 0.00 0.00 58.31 55.98 3dcy n LYS 20 Cb 0.32 -5.69 -0.08 0.00 -1.84 0.00 0.00 35.03 27.74 3dcy n LYS 20 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dcy s ILE 21 N -3.36 5.40 0.22 -0.18 -1.09 -0.09 -2.00 121.20 120.11 3dcy s ILE 21 Ca 0.46 0.18 -0.32 0.00 -2.23 0.00 0.00 60.65 58.74 3dcy s ILE 21 Cb -0.21 -3.43 -0.12 0.00 -1.58 0.00 0.00 42.46 37.11 3dcy s ILE 21 CO 0.77 0.49 1.71 -0.38 -1.23 0.00 0.00 174.94 176.30 3dcy n ILE 22 N 3.10 0.15 -3.49 2.92 2.08 0.15 -4.45 119.36 119.82 3dcy n ILE 22 Ca -0.17 -0.04 -0.25 0.00 0.56 0.00 0.00 62.75 62.85 3dcy n ILE 22 Cb 0.53 -1.99 -0.13 0.00 -0.75 0.00 0.00 39.64 37.29 3dcy n ILE 22 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 3dcy s GLN 23 N 0.93 0.27 0.00 0.38 0.74 -1.26 -1.08 119.66 119.64 3dcy s GLN 23 Ca 0.73 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.67 3dcy s GLN 23 Cb -0.50 -1.00 0.00 0.00 1.10 0.00 0.00 33.01 32.61 3dcy s GLN 23 CO 0.34 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.45 3dcy n GLY 24 N 5.16 0.48 2.49 2.59 0.00 -1.26 -4.95 105.19 109.70 3dcy n GLY 24 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3dcy n GLY 24 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dcy n GLN 25 N 0.00 3.39 0.00 1.61 6.02 -1.26 -4.58 117.38 122.56 3dcy n GLN 25 Ca 0.00 -4.42 0.00 0.00 -0.01 0.00 0.00 57.00 52.57 3dcy n GLN 25 Cb 0.00 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.01 3dcy n GLN 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dcy n GLY 26 N -0.50 0.22 3.73 1.08 0.00 -1.26 -4.96 105.19 103.50 3dcy n GLY 26 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 3dcy n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dcy s VAL 27 N 1.91 3.40 -1.29 1.61 1.01 -1.26 -4.92 120.40 120.86 3dcy s VAL 27 Ca 0.00 1.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.92 3dcy s VAL 27 Cb 0.00 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.76 3dcy s VAL 27 CO 0.00 0.14 1.70 -0.67 0.00 0.00 0.00 175.10 176.27 3dcy n ASP 28 N 3.04 4.96 -4.73 3.32 -0.08 -1.26 -4.91 116.55 116.89 3dcy n ASP 28 Ca 0.07 -2.93 -0.41 0.00 -1.51 0.00 0.00 54.79 50.01 3dcy n ASP 28 Cb 0.43 -1.71 -0.04 0.00 2.34 0.00 0.00 41.12 42.14 3dcy n ASP 28 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3dcy s GLU 29 N 3.62 4.62 0.95 -0.67 2.56 -1.26 -4.90 118.70 123.63 3dcy s GLU 29 Ca 0.51 1.32 -0.15 0.00 0.00 0.00 0.00 54.97 56.65 3dcy s GLU 29 Cb 0.03 -3.38 0.18 0.00 2.00 0.00 0.00 34.13 32.96 3dcy s GLU 29 CO 0.06 0.21 1.25 -1.25 -0.56 0.00 0.00 175.26 174.97 3dcy s PRO 30 N 0.08 0.75 0.58 4.30 0.04 -1.26 -3.59 135.00 135.90 3dcy s PRO 30 Ca 0.45 -0.18 -0.20 0.00 0.04 0.00 0.00 61.00 61.11 3dcy s PRO 30 Cb -0.22 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3dcy s PRO 30 CO 0.27 -2.37 1.25 -0.51 0.04 0.00 0.00 177.00 175.68 3dcy s LEU 31 N -5.97 3.72 0.87 -3.56 1.43 -1.26 -4.35 118.68 109.57 3dcy s LEU 31 Ca 0.70 2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 56.16 3dcy s LEU 31 Cb -0.07 -4.51 0.14 0.00 0.03 0.00 0.00 46.19 41.78 3dcy s LEU 31 CO 0.53 -1.60 1.23 -0.94 0.23 0.00 0.00 176.35 175.80 3dcy s SER 32 N -1.41 3.86 0.19 2.29 1.04 -0.58 -4.83 113.70 114.26 3dcy s SER 32 Ca 0.76 0.49 -0.22 0.00 0.48 0.00 0.00 55.95 57.47 3dcy s SER 32 Cb -0.33 -0.78 0.12 0.00 0.10 0.00 0.00 66.02 65.13 3dcy s SER 32 CO 0.37 -2.28 1.57 -0.08 0.98 0.00 0.00 173.24 173.80 3dcy h GLU 33 N -1.30 -0.12 -0.87 4.02 4.81 -1.97 -0.14 114.58 119.01 3dcy h GLU 33 Ca -0.45 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 3dcy h GLU 33 Cb 1.28 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.63 3dcy h GLU 33 CO 0.52 -0.08 0.54 1.15 -0.73 0.00 0.00 179.01 180.41 3dcy h THR 34 N -0.13 1.05 -0.63 0.32 2.02 -1.94 -1.17 112.91 112.43 3dcy h THR 34 Ca 0.25 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3dcy h THR 34 Cb 0.56 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3dcy h THR 34 CO -0.79 0.18 0.30 1.23 0.37 0.00 0.00 175.52 176.82 3dcy h GLY 35 N 0.99 0.96 0.99 2.16 0.00 -1.22 0.00 103.07 106.96 3dcy h GLY 35 Ca 0.38 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3dcy h GLY 35 CO -0.17 0.45 0.27 0.74 0.00 0.00 0.00 176.54 177.83 3dcy h PHE 36 N 0.86 0.89 -0.66 5.60 0.04 -0.44 -1.00 116.94 122.23 3dcy h PHE 36 Ca 0.22 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 60.97 3dcy h PHE 36 Cb 0.12 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.95 3dcy h PHE 36 CO 0.00 0.69 0.39 0.87 -0.60 0.00 0.00 178.31 179.66 3dcy h LYS 37 N 0.83 0.72 -0.56 1.51 1.57 -0.85 -1.12 116.57 118.68 3dcy h LYS 37 Ca 0.20 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3dcy h LYS 37 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3dcy h LYS 37 CO -0.02 0.48 0.16 1.96 -0.57 0.00 0.00 179.45 181.46 3dcy h GLN 38 N 0.75 0.87 -0.70 3.15 4.20 -0.67 -0.91 115.11 121.80 3dcy h GLN 38 Ca 0.28 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3dcy h GLN 38 Cb 0.10 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3dcy h GLN 38 CO -0.14 0.80 0.26 0.00 -0.67 0.00 0.00 178.83 179.08 3dcy h ALA 39 N 1.03 1.14 -0.32 3.87 0.00 -1.00 0.81 119.26 124.80 3dcy h ALA 39 Ca 0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3dcy h ALA 39 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dcy h ALA 39 CO -0.00 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 179.82 3dcy h ALA 40 N 1.27 0.43 -0.45 0.00 0.00 -0.89 -0.06 119.26 119.57 3dcy h ALA 40 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dcy h ALA 40 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3dcy h ALA 40 CO -0.02 0.23 0.25 0.00 0.00 0.00 0.00 179.25 179.71 3dcy h ALA 41 N 0.82 0.57 -0.94 0.00 0.00 -0.82 0.12 119.26 119.01 3dcy h ALA 41 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dcy h ALA 41 Cb 0.51 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3dcy h ALA 41 CO 0.02 0.09 0.59 0.00 0.00 0.00 0.00 179.25 179.96 3dcy h ALA 42 N 1.10 1.28 -0.69 0.00 0.00 -0.67 -0.27 119.26 120.01 3dcy h ALA 42 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3dcy h ALA 42 Cb 0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3dcy h ALA 42 CO -0.03 0.64 0.26 0.78 0.00 0.00 0.00 179.25 180.90 3dcy h GLY 43 N 1.29 1.11 0.90 0.00 0.00 -0.09 -1.01 103.07 105.27 3dcy h GLY 43 Ca 0.34 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 3dcy h GLY 43 CO -0.07 0.59 -0.10 -2.22 0.00 0.00 0.00 176.54 174.74 3dcy h ILE 44 N 0.98 1.29 -0.89 2.60 2.04 -0.48 -2.19 117.51 120.87 3dcy h ILE 44 Ca 0.23 -1.16 0.13 0.00 1.00 0.00 0.00 64.86 65.05 3dcy h ILE 44 Cb 0.24 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 3dcy h ILE 44 CO -0.02 0.37 0.50 0.15 0.00 0.00 0.00 178.15 179.16 3dcy h PHE 45 N 0.36 0.90 -0.48 1.37 3.57 -0.85 -2.39 116.94 119.41 3dcy h PHE 45 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3dcy h PHE 45 Cb 0.60 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3dcy h PHE 45 CO 0.05 0.30 0.00 1.28 -2.23 0.00 0.00 178.31 177.71 3dcy n LEU 46 N -4.77 2.85 0.25 0.59 4.77 -0.40 -4.67 117.00 115.62 3dcy n LEU 46 Ca 0.17 -1.43 0.10 0.00 -0.03 0.00 0.00 56.01 54.82 3dcy n LEU 46 Cb 0.38 -0.37 0.65 0.00 -2.33 0.00 0.00 43.42 41.75 3dcy n LEU 46 CO 0.24 0.64 0.95 -0.55 -1.33 0.00 0.00 177.39 177.34 3dcy h ASN 47 N 2.87 0.00 -0.46 -1.43 7.08 -0.85 -1.79 115.58 121.00 3dcy h ASN 47 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3dcy h ASN 47 Cb 0.77 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.01 3dcy h ASN 47 CO 0.04 0.14 0.00 -3.20 -2.08 0.00 0.00 177.43 172.34 3dcy n ASN 48 N -3.89 3.27 -4.71 6.14 5.15 -1.26 -0.14 115.26 119.82 3dcy n ASN 48 Ca -0.02 -1.97 -0.42 0.00 -0.60 0.00 0.00 54.58 51.57 3dcy n ASN 48 Cb 0.24 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 39.15 3dcy n ASN 48 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3dcy s VAL 49 N -1.04 4.82 -1.10 3.44 1.01 -0.67 -4.84 120.40 122.01 3dcy s VAL 49 Ca 0.33 2.03 -0.15 0.00 0.00 0.00 0.00 61.98 64.18 3dcy s VAL 49 Cb 0.17 -4.30 0.16 0.00 0.00 0.00 0.00 36.38 32.42 3dcy s VAL 49 CO 0.23 0.14 1.31 -0.54 0.00 0.00 0.00 175.10 176.24 3dcy s LYS 50 N 1.13 3.91 0.58 2.72 1.02 -1.26 -4.75 119.74 123.09 3dcy s LYS 50 Ca 0.52 -2.31 -0.16 0.00 0.02 0.00 0.00 55.97 54.04 3dcy s LYS 50 Cb -0.21 -4.99 -0.04 0.00 -0.52 0.00 0.00 37.83 32.07 3dcy s LYS 50 CO 0.27 -1.75 1.05 -0.06 -0.92 0.00 0.00 175.35 173.94 3dcy s PHE 51 N 1.87 3.06 -0.03 3.18 0.08 -1.26 -4.74 117.98 120.14 3dcy s PHE 51 Ca 0.38 1.50 0.07 0.00 0.12 0.00 0.00 56.93 59.01 3dcy s PHE 51 Cb -0.04 -2.98 -0.11 0.00 -0.57 0.00 0.00 43.02 39.33 3dcy s PHE 51 CO -0.04 -1.00 0.12 0.25 -0.10 0.00 0.00 175.22 174.45 3dcy n THR 52 N -1.94 0.17 -3.89 0.64 -2.24 0.87 -4.90 114.28 102.98 3dcy n THR 52 Ca 0.08 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 3dcy n THR 52 Cb 0.53 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 3dcy n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dcy s HIS 53 N -2.41 0.08 -0.04 4.78 3.76 -1.14 -4.96 115.29 115.35 3dcy s HIS 53 Ca -0.03 -0.19 -0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3dcy s HIS 53 Cb 0.04 -0.07 0.03 0.00 1.11 0.00 0.00 32.58 33.68 3dcy s HIS 53 CO 0.31 -0.25 0.00 0.00 -0.85 0.00 0.00 174.74 173.95 3dcy s ALA 54 N -1.31 0.41 0.02 -1.40 0.00 -1.26 -0.77 121.76 117.45 3dcy s ALA 54 Ca -0.14 0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.97 3dcy s ALA 54 Cb -0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3dcy s ALA 54 CO 0.01 -0.17 -0.16 -0.06 0.00 0.00 0.00 175.76 175.38 3dcy s PHE 55 N 1.28 1.40 0.00 0.00 0.08 -0.11 -0.96 117.98 119.68 3dcy s PHE 55 Ca -0.06 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 3dcy s PHE 55 Cb -0.13 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.46 3dcy s PHE 55 CO -0.02 0.03 0.02 0.45 -0.10 0.00 0.00 175.22 175.60 3dcy s SER 56 N -0.90 0.10 0.53 1.36 0.15 -0.47 -1.34 113.70 113.14 3dcy s SER 56 Ca 0.04 -0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.26 3dcy s SER 56 Cb -0.07 0.11 -0.09 0.00 -1.71 0.00 0.00 66.02 64.25 3dcy s SER 56 CO 0.01 -0.20 0.60 -0.24 1.20 0.00 0.00 173.24 174.61 3dcy n SER 57 N 2.12 -0.66 -0.17 5.45 2.88 -1.00 -1.23 113.62 121.00 3dcy n SER 57 Ca -0.19 0.81 0.10 0.00 -1.33 0.00 0.00 58.87 58.25 3dcy n SER 57 Cb 0.57 -1.19 0.51 0.00 -0.75 0.00 0.00 64.21 63.35 3dcy n SER 57 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3dcy n ASP 58 N 0.58 0.51 0.00 -3.46 5.75 -1.26 -4.15 116.55 114.52 3dcy n ASP 58 Ca 0.11 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 3dcy n ASP 58 Cb 0.45 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3dcy n ASP 58 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3dcy n LEU 59 N -0.45 0.00 0.00 -2.12 4.77 -1.26 -4.86 117.00 113.07 3dcy n LEU 59 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3dcy n LEU 59 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3dcy n LEU 59 CO 0.12 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.07 3dcy n ARG 61 N 0.00 0.00 0.06 3.23 1.85 -1.24 -1.45 116.66 119.11 3dcy n ARG 61 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 3dcy n ARG 61 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 3dcy n ARG 61 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 3dcy h THR 62 N 0.00 1.35 -0.35 8.89 1.35 -1.91 -2.59 112.91 119.66 3dcy h THR 62 Ca 0.00 -2.34 0.01 0.00 -0.55 0.00 0.00 66.41 63.54 3dcy h THR 62 Cb 0.00 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 3dcy h THR 62 CO 0.00 0.70 0.21 0.50 -0.25 0.00 0.00 175.52 176.68 3dcy h LYS 63 N 0.10 0.42 -0.49 4.72 3.64 -1.41 -2.27 116.57 121.28 3dcy h LYS 63 Ca -0.14 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 3dcy h LYS 63 Cb 1.69 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.39 3dcy h LYS 63 CO 0.19 0.28 0.05 1.96 -2.27 0.00 0.00 179.45 179.66 3dcy h GLN 64 N 0.43 0.78 -0.96 1.90 4.20 -1.82 -0.24 115.11 119.41 3dcy h GLN 64 Ca 0.14 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3dcy h GLN 64 Cb -0.00 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3dcy h GLN 64 CO -0.06 0.76 0.00 2.41 -0.67 0.00 0.00 178.83 181.27 3dcy n THR 65 N -4.24 0.14 0.00 -0.54 -1.04 -0.85 -0.93 114.28 106.81 3dcy n THR 65 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3dcy n THR 65 Cb 0.27 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 3dcy n THR 65 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3dcy n HIS 67 N 0.58 0.00 -0.36 -1.42 -0.00 -0.10 -1.07 115.22 112.84 3dcy n HIS 67 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 3dcy n HIS 67 Cb 0.11 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.30 3dcy n HIS 67 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3dcy h GLY 68 N 0.00 1.57 0.37 1.57 0.00 -1.31 0.80 103.07 106.08 3dcy h GLY 68 Ca 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3dcy h GLY 68 CO 0.00 0.26 -0.04 -2.22 0.00 0.00 0.00 176.54 174.53 3dcy h ILE 69 N 1.09 1.15 -0.18 2.60 2.04 -1.23 -3.35 117.51 119.64 3dcy h ILE 69 Ca 0.46 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 3dcy h ILE 69 Cb 0.31 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3dcy h ILE 69 CO -0.21 0.29 -0.37 -0.07 0.00 0.00 0.00 178.15 177.79 3dcy h LEU 70 N -0.75 0.40 -2.64 1.44 3.38 -1.76 -2.81 115.31 112.58 3dcy h LEU 70 Ca -0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3dcy h LEU 70 Cb 0.57 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3dcy h LEU 70 CO 0.02 0.74 -0.01 1.05 0.09 0.00 0.00 178.44 180.33 3dcy h GLU 71 N 0.33 0.00 -0.52 1.13 4.11 -0.98 -1.42 114.58 117.23 3dcy h GLU 71 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3dcy h GLU 71 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3dcy h GLU 71 CO 0.06 0.01 0.00 0.54 0.07 0.00 0.00 179.01 179.69 3dcy n ARG 72 N -3.25 2.58 -2.97 1.06 1.74 -1.06 -4.95 116.66 109.81 3dcy n ARG 72 Ca -0.02 -2.38 -0.40 0.00 -0.77 0.00 0.00 57.85 54.28 3dcy n ARG 72 Cb 0.12 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 3dcy n ARG 72 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3dcy s SER 73 N -1.19 7.35 0.15 0.55 0.15 -0.53 -4.57 113.70 115.60 3dcy s SER 73 Ca 0.40 1.60 -0.12 0.00 0.70 0.00 0.00 55.95 58.54 3dcy s SER 73 Cb 0.22 -2.50 -0.00 0.00 -1.71 0.00 0.00 66.02 62.03 3dcy s SER 73 CO 0.30 0.15 1.55 0.11 1.20 0.00 0.00 173.24 176.54 3dcy h LYS 74 N 4.73 0.91 0.00 5.44 1.57 -0.86 -3.32 116.57 125.04 3dcy h LYS 74 Ca -0.46 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 57.87 3dcy h LYS 74 Cb 1.21 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3dcy h LYS 74 CO 0.68 1.01 -1.86 1.19 -0.57 0.00 0.00 179.45 179.89 3dcy n PHE 75 N -4.22 0.00 -0.43 -1.35 3.72 -1.26 -4.69 117.46 109.23 3dcy n PHE 75 Ca -0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3dcy n PHE 75 Cb 0.40 -0.51 0.13 0.00 -0.94 0.00 0.00 39.48 38.57 3dcy n PHE 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dcy h LYS 77 N 1.14 0.13 -4.72 0.00 1.57 -1.66 -3.47 116.57 109.57 3dcy h LYS 77 Ca 0.00 -0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 58.06 3dcy h LYS 77 Cb 0.86 -0.03 -0.20 0.00 0.08 0.00 0.00 32.23 32.94 3dcy h LYS 77 CO 0.05 0.09 0.41 -0.51 -0.57 0.00 0.00 179.45 178.92 3dcy s ASP 78 N -4.93 6.46 -0.11 0.86 1.11 -1.26 -4.74 116.67 114.06 3dcy s ASP 78 Ca -0.11 -1.86 0.02 0.00 0.18 0.00 0.00 52.55 50.77 3dcy s ASP 78 Cb 0.29 -2.33 0.02 0.00 1.07 0.00 0.00 42.92 41.96 3dcy s ASP 78 CO 0.78 -1.02 -0.15 -0.89 1.18 0.00 0.00 175.17 175.06 3dcy s THR 80 N 2.33 1.51 -0.05 -1.27 2.01 -1.26 -5.24 115.64 113.67 3dcy s THR 80 Ca 0.21 -0.65 -0.21 0.00 0.31 0.00 0.00 61.69 61.36 3dcy s THR 80 Cb -0.14 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 3dcy s THR 80 CO -0.02 0.44 0.60 -0.69 -0.69 0.00 0.00 174.62 174.26 3dcy s VAL 81 N 1.02 5.01 -0.18 3.82 1.01 -1.26 -4.36 120.40 125.46 3dcy s VAL 81 Ca -0.06 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.03 3dcy s VAL 81 Cb -0.15 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3dcy s VAL 81 CO -0.02 0.35 0.24 -0.54 0.00 0.00 0.00 175.10 175.13 3dcy s LYS 82 N 0.27 4.23 -0.20 2.72 -0.14 -0.13 -4.99 119.74 121.49 3dcy s LYS 82 Ca 0.32 -0.02 -0.08 0.00 -1.36 0.00 0.00 55.97 54.82 3dcy s LYS 82 Cb -0.17 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 3dcy s LYS 82 CO 0.16 0.24 0.09 0.71 -0.76 0.00 0.00 175.35 175.78 3dcy s TYR 83 N 0.50 3.28 -0.09 3.18 2.02 -1.26 -1.37 117.35 123.60 3dcy s TYR 83 Ca 0.13 0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.92 3dcy s TYR 83 Cb -0.12 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.34 3dcy s TYR 83 CO 0.02 0.13 0.01 0.34 -1.57 0.00 0.00 175.55 174.48 3dcy s ASP 84 N 0.56 1.82 0.57 2.29 -1.08 -0.37 -4.88 116.67 115.57 3dcy s ASP 84 Ca 0.05 -0.21 0.31 0.00 -0.52 0.00 0.00 52.55 52.17 3dcy s ASP 84 Cb -0.12 -0.46 1.70 0.00 -1.46 0.00 0.00 42.92 42.57 3dcy s ASP 84 CO 0.01 -0.21 2.17 0.77 0.52 0.00 0.00 175.17 178.42 3dcy h SER 85 N 8.32 0.00 0.08 -0.34 4.64 -1.96 -1.97 113.55 122.31 3dcy h SER 85 Ca -0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3dcy h SER 85 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3dcy h SER 85 CO 0.27 0.06 -0.00 0.03 -0.87 0.00 0.00 176.83 176.32 3dcy h ARG 86 N 0.00 0.00 -0.02 4.77 3.08 -1.95 -2.23 114.38 118.03 3dcy h ARG 86 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dcy h ARG 86 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3dcy h ARG 86 CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 3dcy n LEU 87 N -3.15 0.99 -4.72 3.04 4.77 -0.74 -4.62 117.00 112.56 3dcy n LEU 87 Ca -0.03 -0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 55.28 3dcy n LEU 87 Cb 0.09 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.27 3dcy n LEU 87 CO 0.21 0.17 0.75 -0.13 -1.33 0.00 0.00 177.39 177.06 3dcy s ARG 88 N -1.98 2.00 0.78 3.23 0.52 -0.84 -4.43 118.95 118.23 3dcy s ARG 88 Ca 0.40 1.57 -0.12 0.00 -0.52 0.00 0.00 55.73 57.06 3dcy s ARG 88 Cb 0.21 -1.84 0.07 0.00 0.52 0.00 0.00 34.95 33.91 3dcy s ARG 88 CO 0.33 -1.90 1.14 -2.00 0.02 0.00 0.00 175.30 172.90 3dcy s GLU 89 N -4.25 1.95 0.22 3.54 2.56 -1.26 -4.79 118.70 116.67 3dcy s GLU 89 Ca 0.70 1.48 -0.31 0.00 0.00 0.00 0.00 54.97 56.83 3dcy s GLU 89 Cb -0.25 -1.84 -0.15 0.00 2.00 0.00 0.00 34.13 33.90 3dcy s GLU 89 CO 0.49 -1.92 1.14 -2.13 -0.56 0.00 0.00 175.26 172.28 3dcy n ARG 90 N -3.34 1.36 -2.45 4.30 0.63 -1.26 -4.59 116.66 111.32 3dcy n ARG 90 Ca 0.11 0.48 -0.41 0.00 -0.92 0.00 0.00 57.85 57.12 3dcy n ARG 90 Cb 0.52 -1.96 -0.04 0.00 0.45 0.00 0.00 32.46 31.43 3dcy n ARG 90 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3dcy s LYS 91 N -0.81 4.58 0.00 -0.14 1.02 -1.26 -4.01 119.74 119.12 3dcy s LYS 91 Ca 0.67 1.81 0.04 0.00 0.02 0.00 0.00 55.97 58.51 3dcy s LYS 91 Cb -0.77 -3.23 0.10 0.00 -0.52 0.00 0.00 37.83 33.41 3dcy s LYS 91 CO 0.55 0.07 1.01 0.66 -0.92 0.00 0.00 175.35 176.71 3dcy n TYR 92 N 1.94 0.14 0.00 3.18 4.01 -1.26 -1.37 117.16 123.80 3dcy n TYR 92 Ca 0.02 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 3dcy n TYR 92 Cb 0.45 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3dcy n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dcy n GLY 93 N -0.07 3.31 0.09 2.72 0.00 -1.22 -1.81 105.19 108.21 3dcy n GLY 93 Ca 0.04 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3dcy n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dcy n VAL 94 N 0.00 1.14 0.79 1.61 0.24 -0.28 -1.73 118.33 120.10 3dcy n VAL 94 Ca 0.00 0.42 0.12 0.00 -2.04 0.00 0.00 64.34 62.84 3dcy n VAL 94 Cb 0.00 -1.35 0.27 0.00 -1.47 0.00 0.00 33.84 31.29 3dcy n VAL 94 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3dcy n VAL 95 N -1.95 0.31 -1.68 3.34 0.24 -0.75 -4.91 118.33 112.92 3dcy n VAL 95 Ca 0.01 -0.55 -0.45 0.00 -2.04 0.00 0.00 64.34 61.31 3dcy n VAL 95 Cb 0.12 0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 33.27 3dcy n VAL 95 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dcy n GLU 96 N 1.01 2.31 -0.77 7.34 -0.58 -0.71 -1.29 120.64 127.95 3dcy n GLU 96 Ca 0.18 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 3dcy n GLU 96 Cb 0.50 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 3dcy n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dcy n GLY 97 N 3.72 0.71 3.94 0.62 0.00 -0.24 -4.98 105.19 108.96 3dcy n GLY 97 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3dcy n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dcy s LYS 98 N -0.23 3.26 0.44 1.61 -0.14 -0.41 -4.80 119.74 119.47 3dcy s LYS 98 Ca 0.00 -0.88 -0.26 0.00 -1.36 0.00 0.00 55.97 53.47 3dcy s LYS 98 Cb 0.00 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.26 3dcy s LYS 98 CO 0.00 0.35 1.45 0.00 -0.76 0.00 0.00 175.35 176.39 3dcy s ALA 99 N -2.06 3.30 0.33 5.17 0.00 -1.26 -0.68 121.76 126.57 3dcy s ALA 99 Ca 0.36 1.51 0.12 0.00 0.00 0.00 0.00 51.96 53.95 3dcy s ALA 99 Cb -0.09 -3.60 1.03 0.00 0.00 0.00 0.00 23.12 20.46 3dcy s ALA 99 CO 0.28 -1.21 1.63 1.25 0.00 0.00 0.00 175.76 177.72 3dcy h LEU 100 N 2.41 0.24 -1.91 0.00 5.85 -1.75 -0.45 115.31 119.70 3dcy h LEU 100 Ca -0.51 0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3dcy h LEU 100 Cb 1.26 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 3dcy h LEU 100 CO 0.61 -0.24 0.16 0.77 -0.34 0.00 0.00 178.44 179.40 3dcy h SER 101 N 0.18 0.10 -0.21 1.25 4.64 -1.90 -1.29 113.55 116.33 3dcy h SER 101 Ca 0.71 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.91 3dcy h SER 101 Cb 1.65 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.70 3dcy h SER 101 CO -0.70 0.07 -0.28 -0.33 -0.87 0.00 0.00 176.83 174.73 3dcy h GLU 102 N 0.12 0.69 -0.27 4.77 5.08 -1.43 -0.75 114.58 122.79 3dcy h GLU 102 Ca 0.10 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3dcy h GLU 102 Cb 0.26 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3dcy h GLU 102 CO -0.01 0.89 -0.09 1.25 -1.00 0.00 0.00 179.01 180.05 3dcy h LEU 103 N 0.60 0.54 -0.78 1.33 5.85 -1.25 -3.19 115.31 118.40 3dcy h LEU 103 Ca 0.08 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3dcy h LEU 103 Cb 0.77 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3dcy h LEU 103 CO 0.06 0.80 0.37 0.03 -0.34 0.00 0.00 178.44 179.36 3dcy h ARG 104 N 0.28 1.12 -1.14 1.25 3.08 -1.22 -0.59 114.38 117.17 3dcy h ARG 104 Ca 0.07 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3dcy h ARG 104 Cb 0.57 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3dcy h ARG 104 CO 0.03 0.87 0.00 0.00 -1.07 0.00 0.00 179.97 179.80 3dcy n ALA 105 N -2.40 1.49 0.00 0.04 0.00 -0.30 -1.03 120.51 118.32 3dcy n ALA 105 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3dcy n ALA 105 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3dcy n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dcy n ALA 107 N 0.71 0.00 -0.27 0.00 0.00 -0.23 -1.26 120.51 119.46 3dcy n ALA 107 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3dcy n ALA 107 Cb 0.07 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.62 3dcy n ALA 107 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3dcy h LYS 108 N 0.00 0.02 -0.39 0.00 1.63 -1.08 0.62 116.57 117.37 3dcy h LYS 108 Ca 0.00 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3dcy h LYS 108 Cb 0.00 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3dcy h LYS 108 CO 0.00 0.01 0.14 0.00 -3.45 0.00 0.00 179.45 176.15 3dcy h ALA 109 N 1.77 1.52 -0.01 5.00 0.00 -1.43 -1.68 119.26 124.42 3dcy h ALA 109 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3dcy h ALA 109 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3dcy h ALA 109 CO -0.78 0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3dcy n ALA 110 N -2.47 2.65 -3.60 0.00 0.00 0.13 -4.89 120.51 112.32 3dcy n ALA 110 Ca 0.02 -0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 3dcy n ALA 110 Cb 0.16 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.27 3dcy n ALA 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dcy n ARG 111 N -0.83 -7.98 -4.41 0.00 1.74 -0.63 -5.02 116.66 99.54 3dcy n ARG 111 Ca 0.20 0.83 -0.21 0.00 -0.77 0.00 0.00 57.85 57.90 3dcy n ARG 111 Cb 0.12 -5.89 -0.09 0.00 -1.02 0.00 0.00 32.46 25.58 3dcy n ARG 111 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3dcy s GLU 112 N -6.32 1.67 0.11 5.56 2.02 -0.70 -5.03 118.70 116.01 3dcy s GLU 112 Ca 0.59 -1.96 0.09 0.00 0.02 0.00 0.00 54.97 53.71 3dcy s GLU 112 Cb -0.26 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 33.51 3dcy s GLU 112 CO 0.73 -0.38 -0.23 -1.21 0.02 0.00 0.00 175.26 174.20 3dcy s GLU 113 N -3.84 1.22 0.41 1.61 2.02 -1.26 -3.35 118.70 115.50 3dcy s GLU 113 Ca 0.33 -1.21 -0.22 0.00 0.02 0.00 0.00 54.97 53.89 3dcy s GLU 113 Cb 0.06 -1.55 -0.11 0.00 0.10 0.00 0.00 34.13 32.63 3dcy s GLU 113 CO 0.16 0.36 0.95 0.00 0.02 0.00 0.00 175.26 176.76 3dcy n PRO 115 N -0.35 1.16 -0.19 0.00 -0.04 -1.26 -4.88 135.00 129.45 3dcy n PRO 115 Ca 0.06 -0.37 -0.07 0.00 -0.04 0.00 0.00 63.50 63.08 3dcy n PRO 115 Cb 0.53 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 3dcy n PRO 115 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dcy h VAL 116 N 0.90 1.17 -2.58 0.52 2.07 -1.90 -3.44 116.25 112.99 3dcy h VAL 116 Ca 0.00 -0.38 -0.58 0.00 0.82 0.00 0.00 66.70 66.56 3dcy h VAL 116 Cb 0.24 0.44 0.07 0.00 -1.52 0.00 0.00 31.29 30.52 3dcy h VAL 116 CO 0.00 0.17 0.69 0.33 0.02 0.00 0.00 177.57 178.78 3dcy n PHE 117 N -4.66 2.25 -4.04 1.57 7.35 -0.07 -4.66 117.46 115.21 3dcy n PHE 117 Ca 0.03 0.37 -0.33 0.00 -0.76 0.00 0.00 57.45 56.75 3dcy n PHE 117 Cb 0.06 -2.50 -0.15 0.00 0.35 0.00 0.00 39.48 37.24 3dcy n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3dcy s THR 118 N 0.27 2.45 0.85 -2.13 2.01 -1.26 -4.89 115.64 112.94 3dcy s THR 118 Ca 0.71 -1.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 3dcy s THR 118 Cb -0.65 -2.23 0.10 0.00 0.01 0.00 0.00 72.50 69.74 3dcy s THR 118 CO 0.46 0.26 1.09 -2.16 -0.69 0.00 0.00 174.62 173.58 3dcy s PRO 119 N 1.26 1.63 0.12 4.92 0.04 -1.26 -4.87 135.00 136.83 3dcy s PRO 119 Ca -0.00 0.78 -0.35 0.00 0.04 0.00 0.00 61.00 61.47 3dcy s PRO 119 Cb -0.16 -1.85 -0.16 0.00 0.04 0.00 0.00 34.50 32.37 3dcy s PRO 119 CO -0.07 -1.98 1.39 -2.30 0.04 0.00 0.00 177.00 174.08 3dcy n PRO 120 N -3.70 1.45 -0.52 0.56 -0.02 -1.26 -1.03 135.00 130.48 3dcy n PRO 120 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3dcy n PRO 120 Cb 0.55 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3dcy n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dcy n GLY 121 N 2.70 1.41 3.97 -1.23 0.00 -1.26 -1.12 105.19 109.66 3dcy n GLY 121 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3dcy n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dcy s GLY 122 N -1.87 1.76 0.02 -0.02 0.00 -0.20 -3.38 107.32 103.64 3dcy s GLY 122 Ca 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 44.72 43.39 3dcy s GLY 122 CO 0.00 -1.03 0.26 -0.54 0.00 0.00 0.00 173.10 171.79 3dcy s GLU 123 N -4.68 3.55 0.72 2.90 2.02 -0.47 -4.87 118.70 117.87 3dcy s GLU 123 Ca 0.55 -0.14 -0.11 0.00 0.02 0.00 0.00 54.97 55.29 3dcy s GLU 123 Cb -0.10 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.09 3dcy s GLU 123 CO 0.38 0.64 1.07 0.95 0.02 0.00 0.00 175.26 178.32 3dcy s THR 124 N -1.34 3.76 0.35 3.63 -4.23 -1.26 -4.79 115.64 111.76 3dcy s THR 124 Ca 0.29 0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.44 3dcy s THR 124 Cb -0.13 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.79 3dcy s THR 124 CO 0.18 -0.74 1.91 -0.07 -0.54 0.00 0.00 174.62 175.36 3dcy h LEU 125 N -0.83 0.71 -0.60 4.79 3.38 -1.86 -1.31 115.31 119.59 3dcy h LEU 125 Ca -0.44 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.40 3dcy h LEU 125 Cb 1.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3dcy h LEU 125 CO 0.55 0.42 -0.60 0.44 0.09 0.00 0.00 178.44 179.33 3dcy h ASP 126 N 0.79 0.37 -0.62 -0.43 3.32 -1.98 -0.83 116.42 117.04 3dcy h ASP 126 Ca 0.39 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3dcy h ASP 126 Cb 0.45 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3dcy h ASP 126 CO -0.16 0.89 0.18 1.56 -1.72 0.00 0.00 179.24 179.99 3dcy h GLN 127 N 0.25 0.97 0.03 3.56 4.20 -1.77 -3.08 115.11 119.25 3dcy h GLN 127 Ca -0.01 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 3dcy h GLN 127 Cb 1.12 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.77 3dcy h GLN 127 CO 0.10 0.86 -0.01 0.28 -0.67 0.00 0.00 178.83 179.39 3dcy h VAL 128 N 0.89 1.05 0.00 -0.54 2.07 -0.94 -2.59 116.25 116.19 3dcy h VAL 128 Ca 0.20 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3dcy h VAL 128 Cb 0.31 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3dcy h VAL 128 CO -0.00 0.06 0.00 1.17 0.02 0.00 0.00 177.57 178.82 3dcy n LYS 129 N -5.05 0.00 0.00 1.57 4.81 -0.35 -2.01 118.16 117.13 3dcy n LYS 129 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3dcy n LYS 129 Cb 0.09 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 33.91 3dcy n LYS 129 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3dcy n ARG 131 N 1.05 0.00 -0.04 1.64 1.74 -0.98 -0.41 116.66 119.66 3dcy n ARG 131 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3dcy n ARG 131 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 3dcy n ARG 131 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3dcy h GLY 132 N 0.00 0.23 0.82 -0.13 0.00 -1.66 -1.38 103.07 100.94 3dcy h GLY 132 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.12 3dcy h GLY 132 CO 0.00 0.22 0.23 -2.22 0.00 0.00 0.00 176.54 174.77 3dcy h ILE 133 N -0.23 1.00 0.18 2.60 2.04 -1.03 0.71 117.51 122.78 3dcy h ILE 133 Ca 0.01 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3dcy h ILE 133 Cb 0.63 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3dcy h ILE 133 CO 0.02 0.08 -0.15 -0.78 0.00 0.00 0.00 178.15 177.33 3dcy h ASP 134 N 0.47 -0.38 -0.26 1.72 1.82 -1.81 0.43 116.42 118.41 3dcy h ASP 134 Ca 0.18 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3dcy h ASP 134 Cb 0.06 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 3dcy h ASP 134 CO -0.11 -0.23 0.16 0.15 -1.61 0.00 0.00 179.24 177.61 3dcy h PHE 135 N -0.34 0.34 -0.47 0.28 3.57 -1.15 -1.28 116.94 117.89 3dcy h PHE 135 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3dcy h PHE 135 Cb 0.31 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3dcy h PHE 135 CO -0.12 0.24 0.28 0.35 -2.23 0.00 0.00 178.31 176.84 3dcy h PHE 136 N 0.34 0.62 -0.47 0.41 3.57 -0.60 0.11 116.94 120.93 3dcy h PHE 136 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3dcy h PHE 136 Cb -0.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3dcy h PHE 136 CO -0.05 0.44 0.26 0.93 -2.23 0.00 0.00 178.31 177.66 3dcy h GLU 137 N 0.63 0.65 -0.34 1.11 5.08 -0.80 -0.29 114.58 120.61 3dcy h GLU 137 Ca 0.17 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3dcy h GLU 137 Cb -0.00 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.04 3dcy h GLU 137 CO -0.03 0.50 -0.25 0.35 -1.00 0.00 0.00 179.01 178.58 3dcy h PHE 138 N 0.62 -0.66 -0.30 4.33 3.57 -0.87 -1.51 116.94 122.12 3dcy h PHE 138 Ca 0.17 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3dcy h PHE 138 Cb 0.04 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3dcy h PHE 138 CO -0.02 -0.32 0.19 1.25 -2.23 0.00 0.00 178.31 177.18 3dcy h LEU 139 N -0.21 0.33 -0.08 0.59 5.85 -0.42 -0.73 115.31 120.64 3dcy h LEU 139 Ca 0.17 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3dcy h LEU 139 Cb 0.47 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3dcy h LEU 139 CO -0.46 0.24 -0.07 0.00 -0.34 0.00 0.00 178.44 177.80 3dcy h GLN 141 N -0.09 0.97 -0.01 0.00 1.08 -1.15 -1.30 115.11 114.61 3dcy h GLN 141 Ca 0.06 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3dcy h GLN 141 Cb 0.17 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 3dcy h GLN 141 CO -0.13 0.64 -0.19 1.25 -0.95 0.00 0.00 178.83 179.45 3dcy h LEU 142 N 1.00 -0.55 -0.41 1.46 5.85 -0.60 -0.45 115.31 121.60 3dcy h LEU 142 Ca 0.29 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 3dcy h LEU 142 Cb -0.07 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3dcy h LEU 142 CO -0.08 -0.25 0.04 0.40 -0.34 0.00 0.00 178.44 178.21 3dcy h ILE 143 N -0.30 1.25 -0.36 4.05 1.08 -1.02 -0.61 117.51 121.60 3dcy h ILE 143 Ca 0.06 -0.93 -0.02 0.00 -0.39 0.00 0.00 64.86 63.58 3dcy h ILE 143 Cb 0.38 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 3dcy h ILE 143 CO -0.18 0.32 0.15 -0.07 -0.69 0.00 0.00 178.15 177.67 3dcy h LEU 144 N 0.54 0.49 -0.67 1.44 3.38 -1.11 0.27 115.31 119.66 3dcy h LEU 144 Ca 0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3dcy h LEU 144 Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3dcy h LEU 144 CO 0.01 0.52 0.16 0.11 0.09 0.00 0.00 178.44 179.33 3dcy h LYS 145 N 0.44 1.08 -0.45 1.13 1.57 -0.96 0.14 116.57 119.51 3dcy h LYS 145 Ca 0.12 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3dcy h LYS 145 Cb 0.18 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3dcy h LYS 145 CO -0.01 0.96 0.10 0.93 -0.57 0.00 0.00 179.45 180.86 3dcy h GLU 146 N 1.01 0.72 -1.01 3.15 5.08 -0.94 0.98 114.58 123.57 3dcy h GLU 146 Ca 0.21 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3dcy h GLU 146 Cb 0.37 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3dcy h GLU 146 CO 0.00 0.72 0.66 0.00 -1.00 0.00 0.00 179.01 179.40 3dcy h ALA 147 N 0.96 1.33 -0.41 3.43 0.00 -0.63 -2.21 119.26 121.73 3dcy h ALA 147 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3dcy h ALA 147 Cb 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3dcy h ALA 147 CO 0.00 0.58 0.04 0.22 0.00 0.00 0.00 179.25 180.09 3dcy h ASP 148 N 1.29 0.67 0.74 0.00 3.58 -0.59 -3.06 116.42 119.05 3dcy h ASP 148 Ca 0.40 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3dcy h ASP 148 Cb -0.02 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.85 3dcy h ASP 148 CO -0.12 0.78 0.00 0.00 -2.88 0.00 0.00 179.24 177.02 3dcy n GLN 149 N -4.48 0.03 0.00 0.28 1.13 0.31 -5.09 117.38 109.55 3dcy n GLN 149 Ca -0.01 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 3dcy n GLN 149 Cb 0.26 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.06 3dcy n GLN 149 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3dcy n LYS 150 N -1.60 0.00 0.00 -1.09 4.76 -0.87 -5.08 118.16 114.28 3dcy n LYS 150 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3dcy n LYS 150 Cb 0.25 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 3dcy n LYS 150 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3dcy n ASN 160 N 0.00 0.00 -0.22 4.39 3.02 -1.26 -4.97 115.26 116.22 3dcy n ASN 160 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 3dcy n ASN 160 Cb 0.00 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.30 3dcy n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dcy h LEU 162 N 0.33 0.77 -0.29 0.00 3.38 -1.90 -3.17 115.31 114.43 3dcy h LEU 162 Ca 0.35 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3dcy h LEU 162 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dcy h LEU 162 CO -0.40 1.05 -0.10 -0.08 0.09 0.00 0.00 178.44 179.01 3dcy h GLU 163 N 0.49 0.57 -0.72 1.13 4.81 -1.70 -3.01 114.58 116.15 3dcy h GLU 163 Ca 0.06 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3dcy h GLU 163 Cb 0.81 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 3dcy h GLU 163 CO 0.07 0.79 0.43 1.79 -0.73 0.00 0.00 179.01 181.36 3dcy h THR 164 N 0.33 1.02 -0.38 0.32 1.35 -0.80 0.10 112.91 114.85 3dcy h THR 164 Ca 0.07 -0.28 -0.09 0.00 -0.55 0.00 0.00 66.41 65.56 3dcy h THR 164 Cb 0.60 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.16 3dcy h THR 164 CO 0.03 0.15 -0.16 0.77 -0.25 0.00 0.00 175.52 176.06 3dcy h SER 165 N 0.80 0.68 -0.40 5.36 4.64 -1.56 -2.29 113.55 120.78 3dcy h SER 165 Ca 0.31 -0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3dcy h SER 165 Cb 0.13 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3dcy h SER 165 CO -0.16 0.85 0.04 -0.07 -0.87 0.00 0.00 176.83 176.62 3dcy h LEU 166 N 0.62 0.66 -2.33 5.97 3.38 -1.28 -3.23 115.31 119.09 3dcy h LEU 166 Ca 0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3dcy h LEU 166 Cb 0.62 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3dcy h LEU 166 CO 0.04 0.77 -0.02 0.00 0.09 0.00 0.00 178.44 179.33 3dcy h ALA 167 N 0.91 1.08 -0.47 1.53 0.00 -0.33 -0.10 119.26 121.87 3dcy h ALA 167 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dcy h ALA 167 Cb 0.41 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3dcy h ALA 167 CO 0.01 0.03 0.31 0.93 0.00 0.00 0.00 179.25 180.53 3dcy h GLU 168 N 0.00 0.53 0.00 0.00 5.08 -1.45 -3.36 114.58 115.38 3dcy h GLU 168 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dcy h GLU 168 Cb 0.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3dcy h GLU 168 CO 0.00 0.35 -0.36 0.44 -1.00 0.00 0.00 179.01 178.44 3dcy n ILE 169 N -4.47 0.00 -4.37 3.13 -5.35 -0.82 -5.06 119.36 102.41 3dcy n ILE 169 Ca 0.05 -0.06 -0.31 0.00 -0.27 0.00 0.00 62.75 62.16 3dcy n ILE 169 Cb 0.13 0.42 -0.10 0.00 -1.74 0.00 0.00 39.64 38.35 3dcy n ILE 169 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3dcy s PHE 170 N -0.83 2.86 -0.87 4.28 0.08 -0.11 -5.04 117.98 118.35 3dcy s PHE 170 Ca 0.00 -0.07 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 3dcy s PHE 170 Cb 0.00 -1.56 -0.06 0.00 -0.57 0.00 0.00 43.02 40.83 3dcy s PHE 170 CO 0.00 0.39 2.13 -0.35 -0.10 0.00 0.00 175.22 177.29 3dcy n PRO 171 N 1.26 2.05 -0.91 0.24 -0.04 -1.26 -4.42 135.00 131.91 3dcy n PRO 171 Ca -0.14 -1.41 -0.11 0.00 -0.04 0.00 0.00 63.50 61.79 3dcy n PRO 171 Cb 0.52 -2.41 0.07 0.00 -0.04 0.00 0.00 33.50 31.64 3dcy n PRO 171 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dcy n LEU 172 N 4.11 0.00 -0.02 1.53 4.77 -1.26 -4.93 117.00 121.19 3dcy n LEU 172 Ca 0.44 -0.65 -0.22 0.00 -0.03 0.00 0.00 56.01 55.55 3dcy n LEU 172 Cb 0.15 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 3dcy n LEU 172 CO 0.67 -0.84 -0.75 0.00 -1.33 0.00 0.00 177.39 175.15 3dcy n ILE 186 N -2.56 1.73 -1.82 -0.08 3.06 -1.26 -5.13 119.36 113.30 3dcy n ILE 186 Ca 0.07 -0.51 -0.41 0.00 -2.50 0.00 0.00 62.75 59.39 3dcy n ILE 186 Cb 0.23 -1.81 -0.01 0.00 0.54 0.00 0.00 39.64 38.59 3dcy n ILE 186 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 3dcy s PRO 187 N -2.51 4.14 0.71 9.51 0.02 -1.26 -4.96 135.00 140.64 3dcy s PRO 187 Ca -0.24 2.53 -0.16 0.00 0.02 0.00 0.00 61.00 63.16 3dcy s PRO 187 Cb 0.06 -3.02 0.03 0.00 0.02 0.00 0.00 34.50 31.59 3dcy s PRO 187 CO 0.73 -0.57 1.24 0.20 -0.33 0.00 0.00 177.00 178.27 3dcy s GLY 188 N 0.28 2.53 0.17 0.52 0.00 -1.26 -4.72 107.32 104.83 3dcy s GLY 188 Ca 0.60 1.02 -0.32 0.00 0.00 0.00 0.00 44.72 46.02 3dcy s GLY 188 CO 0.51 1.44 1.76 1.04 0.00 0.00 0.00 173.10 177.85 3dcy n LEU 189 N -2.49 3.91 0.15 0.66 4.77 -1.26 -4.56 117.00 118.19 3dcy n LEU 189 Ca 0.14 1.03 0.02 0.00 -0.03 0.00 0.00 56.01 57.18 3dcy n LEU 189 Cb 0.49 -1.54 0.20 0.00 -2.33 0.00 0.00 43.42 40.24 3dcy n LEU 189 CO 0.47 0.13 0.54 0.00 -1.33 0.00 0.00 177.39 177.20 3dcy h ALA 190 N 7.41 0.87 -2.72 -1.18 0.00 -0.37 -3.47 119.26 119.79 3dcy h ALA 190 Ca -0.45 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.04 3dcy h ALA 190 Cb 1.22 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 3dcy h ALA 190 CO 0.95 0.66 0.32 0.00 0.00 0.00 0.00 179.25 181.18 3dcy s ALA 191 N -3.42 -1.59 -0.26 0.00 0.00 -1.26 -4.96 121.76 110.27 3dcy s ALA 191 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 3dcy s ALA 191 Cb 0.11 0.73 0.09 0.00 0.00 0.00 0.00 23.12 24.04 3dcy s ALA 191 CO 0.73 -0.84 0.13 0.45 0.00 0.00 0.00 175.76 176.23 3dcy s SER 192 N -2.74 3.12 -0.15 0.00 0.15 -1.26 -1.46 113.70 111.36 3dcy s SER 192 Ca 0.05 -1.07 -0.08 0.00 0.70 0.00 0.00 55.95 55.56 3dcy s SER 192 Cb -0.02 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 3dcy s SER 192 CO -0.06 -0.41 0.11 -0.69 1.20 0.00 0.00 173.24 173.39 3dcy s VAL 193 N 2.12 5.28 -0.18 4.45 1.01 -0.13 -0.09 120.40 132.87 3dcy s VAL 193 Ca 0.07 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 3dcy s VAL 193 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3dcy s VAL 193 CO -0.29 0.53 0.01 -0.22 0.00 0.00 0.00 175.10 175.13 3dcy s LEU 194 N -0.32 3.43 -0.08 3.92 2.96 0.05 -0.34 118.68 128.30 3dcy s LEU 194 Ca 0.11 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3dcy s LEU 194 Cb -0.12 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3dcy s LEU 194 CO 0.01 0.14 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.35 3dcy s VAL 195 N 0.54 1.33 -0.18 1.68 1.01 0.11 -0.94 120.40 123.95 3dcy s VAL 195 Ca -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3dcy s VAL 195 Cb -0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3dcy s VAL 195 CO 0.02 0.40 -0.07 -0.69 0.00 0.00 0.00 175.10 174.76 3dcy s VAL 196 N 0.75 3.37 0.00 2.92 1.01 -0.45 -0.53 120.40 127.48 3dcy s VAL 196 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3dcy s VAL 196 Cb -0.16 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3dcy s VAL 196 CO 0.03 0.47 0.00 -0.24 0.00 0.00 0.00 175.10 175.35 3dcy n SER 197 N 4.17 0.87 -4.23 3.32 2.88 -0.52 -2.39 113.62 117.72 3dcy n SER 197 Ca -0.18 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.20 3dcy n SER 197 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 3dcy n SER 197 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3dcy s HIS 198 N 0.26 1.28 0.07 0.66 3.76 -1.26 -1.61 115.29 118.45 3dcy s HIS 198 Ca 0.00 -0.65 -0.24 0.00 -0.15 0.00 0.00 55.06 54.01 3dcy s HIS 198 Cb 0.00 -0.66 -0.16 0.00 1.11 0.00 0.00 32.58 32.86 3dcy s HIS 198 CO 0.00 0.10 1.64 0.78 -0.85 0.00 0.00 174.74 176.40 3dcy h GLY 199 N 3.24 -0.11 1.05 -2.22 0.00 -1.97 -3.08 103.07 99.97 3dcy h GLY 199 Ca -0.38 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3dcy h GLY 199 CO 0.56 -0.04 -0.16 0.00 0.00 0.00 0.00 176.54 176.90 3dcy h ALA 200 N 0.72 0.62 0.00 3.60 0.00 -1.98 -0.65 119.26 121.57 3dcy h ALA 200 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3dcy h ALA 200 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dcy h ALA 200 CO 0.02 0.56 0.00 0.98 0.00 0.00 0.00 179.25 180.80 3dcy n TYR 201 N -4.22 0.00 0.00 0.00 9.36 -1.16 -2.00 117.16 119.13 3dcy n TYR 201 Ca -0.01 -0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3dcy n TYR 201 Cb 0.41 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 3dcy n TYR 201 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3dcy n ARG 203 N 0.69 0.00 -0.05 2.98 1.74 -0.25 -1.05 116.66 120.72 3dcy n ARG 203 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3dcy n ARG 203 Cb 0.01 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.43 3dcy n ARG 203 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3dcy h SER 204 N 0.00 0.89 -0.63 0.55 0.02 -1.67 0.10 113.55 112.81 3dcy h SER 204 Ca 0.00 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 3dcy h SER 204 Cb 0.00 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3dcy h SER 204 CO 0.00 1.27 0.20 0.25 -1.14 0.00 0.00 176.83 177.42 3dcy h LEU 205 N 0.60 0.91 -0.69 5.07 5.85 -1.36 -0.85 115.31 124.84 3dcy h LEU 205 Ca 0.00 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.39 3dcy h LEU 205 Cb 1.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3dcy h LEU 205 CO 0.12 0.87 -0.39 -0.26 -0.34 0.00 0.00 178.44 178.44 3dcy h PHE 206 N 0.90 0.66 -0.86 1.25 0.04 -1.76 -0.92 116.94 116.26 3dcy h PHE 206 Ca 0.20 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3dcy h PHE 206 Cb 0.28 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3dcy h PHE 206 CO 0.02 0.87 0.43 0.22 -0.60 0.00 0.00 178.31 179.24 3dcy h ASP 207 N 0.46 1.11 -0.41 2.17 3.58 -0.56 0.27 116.42 123.04 3dcy h ASP 207 Ca 0.04 -0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.41 3dcy h ASP 207 Cb 0.89 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 3dcy h ASP 207 CO 0.08 0.92 0.14 0.22 -2.88 0.00 0.00 179.24 177.72 3dcy h TYR 208 N 1.21 0.26 -0.77 0.28 3.20 -0.28 0.30 116.97 121.17 3dcy h TYR 208 Ca 0.30 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 3dcy h TYR 208 Cb 0.10 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3dcy h TYR 208 CO 0.01 0.10 0.37 0.74 -1.64 0.00 0.00 178.16 177.74 3dcy h PHE 209 N 0.31 1.12 0.00 -3.82 0.04 -0.45 -0.60 116.94 113.54 3dcy h PHE 209 Ca 0.19 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 3dcy h PHE 209 Cb 0.17 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 3dcy h PHE 209 CO -0.15 0.82 -0.15 1.25 -0.60 0.00 0.00 178.31 179.48 3dcy h LEU 210 N 1.09 0.00 -0.34 1.54 5.85 -0.68 -0.29 115.31 122.48 3dcy h LEU 210 Ca 0.27 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 3dcy h LEU 210 Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3dcy h LEU 210 CO -0.03 0.75 -0.24 0.74 -0.34 0.00 0.00 178.44 179.32 3dcy h THR 211 N -1.00 1.29 0.02 1.05 2.02 -0.49 -2.49 112.91 113.30 3dcy h THR 211 Ca -0.03 -1.38 -0.39 0.00 0.77 0.00 0.00 66.41 65.38 3dcy h THR 211 Cb 0.45 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 3dcy h THR 211 CO -0.02 0.45 -2.20 0.47 0.37 0.00 0.00 175.52 174.60 3dcy n ASP 212 N -4.25 1.96 -0.08 4.18 8.00 -0.45 -4.39 116.55 121.52 3dcy n ASP 212 Ca -0.03 0.23 0.13 0.00 0.71 0.00 0.00 54.79 55.83 3dcy n ASP 212 Cb 0.45 -0.76 0.44 0.00 -0.02 0.00 0.00 41.12 41.23 3dcy n ASP 212 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3dcy n LEU 213 N -3.96 0.51 -3.40 0.64 4.77 -0.36 -4.95 117.00 110.24 3dcy n LEU 213 Ca -0.45 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.36 3dcy n LEU 213 Cb 0.89 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 41.81 3dcy n LEU 213 CO 0.17 0.11 0.19 0.29 -1.33 0.00 0.00 177.39 176.81 3dcy n LYS 214 N -1.17 -7.17 -1.65 3.23 4.76 -0.75 -4.62 118.16 110.79 3dcy n LYS 214 Ca 0.10 0.80 -0.40 0.00 -2.87 0.00 0.00 58.31 55.94 3dcy n LYS 214 Cb 0.32 -5.72 0.03 0.00 -1.84 0.00 0.00 35.03 27.82 3dcy n LYS 214 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dcy s SER 216 N -0.88 6.70 0.02 0.00 1.04 -0.72 -4.84 113.70 115.01 3dcy s SER 216 Ca 0.68 1.58 0.07 0.00 0.48 0.00 0.00 55.95 58.76 3dcy s SER 216 Cb -0.48 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.11 3dcy s SER 216 CO 0.53 -0.52 -0.21 -0.76 0.98 0.00 0.00 173.24 173.26 3dcy s LEU 217 N -3.84 2.12 0.89 2.42 1.43 -1.26 -1.31 118.68 119.12 3dcy s LEU 217 Ca 0.59 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3dcy s LEU 217 Cb -0.10 -1.02 0.13 0.00 0.03 0.00 0.00 46.19 45.23 3dcy s LEU 217 CO 0.27 0.20 1.15 -2.84 0.23 0.00 0.00 176.35 175.36 3dcy s PRO 218 N -0.90 1.20 0.57 1.29 0.02 -1.24 -4.88 135.00 131.05 3dcy s PRO 218 Ca 0.08 1.57 0.30 0.00 0.02 0.00 0.00 61.00 62.97 3dcy s PRO 218 Cb -0.08 -1.75 1.71 0.00 0.02 0.00 0.00 34.50 34.40 3dcy s PRO 218 CO 0.01 -2.50 2.19 0.00 -0.33 0.00 0.00 177.00 176.36 3dcy h ALA 219 N -1.65 1.37 -0.01 -1.55 0.00 -1.98 -2.24 119.26 113.21 3dcy h ALA 219 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dcy h ALA 219 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dcy h ALA 219 CO 0.43 0.06 -0.07 0.25 0.00 0.00 0.00 179.25 179.92 3dcy n THR 220 N -3.69 0.00 -3.87 0.00 -2.24 -1.26 -4.80 114.28 98.41 3dcy n THR 220 Ca -0.02 -0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 3dcy n THR 220 Cb 0.15 0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.39 3dcy n THR 220 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dcy s LEU 221 N -2.21 3.65 0.59 3.22 1.43 -0.84 -5.09 118.68 119.42 3dcy s LEU 221 Ca 0.35 -0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 3dcy s LEU 221 Cb 0.21 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3dcy s LEU 221 CO 0.41 -0.20 1.04 -0.94 0.23 0.00 0.00 176.35 176.89 3dcy s SER 222 N 1.36 5.97 0.43 2.29 1.04 -1.26 -4.73 113.70 118.79 3dcy s SER 222 Ca -0.01 1.70 0.09 0.00 0.48 0.00 0.00 55.95 58.21 3dcy s SER 222 Cb -0.18 -2.52 0.93 0.00 0.10 0.00 0.00 66.02 64.36 3dcy s SER 222 CO -0.01 -1.04 2.06 0.03 0.98 0.00 0.00 173.24 175.26 3dcy h ARG 223 N 0.35 0.45 -0.15 4.02 3.08 -1.98 -2.90 114.38 117.24 3dcy h ARG 223 Ca -0.46 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 3dcy h ARG 223 Cb 1.21 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3dcy h ARG 223 CO 0.59 0.30 -0.17 0.77 -1.07 0.00 0.00 179.97 180.38 3dcy h SER 224 N 0.46 0.24 -0.21 7.04 0.02 -1.93 -2.65 113.55 116.52 3dcy h SER 224 Ca 0.14 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3dcy h SER 224 Cb 0.01 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3dcy h SER 224 CO -0.03 0.43 0.08 -0.08 -1.14 0.00 0.00 176.83 176.09 3dcy h GLU 225 N 0.23 0.17 -0.12 3.45 4.57 -1.90 -2.95 114.58 118.04 3dcy h GLU 225 Ca 0.04 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3dcy h GLU 225 Cb 0.45 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3dcy h GLU 225 CO 0.03 0.11 0.00 -0.11 -1.18 0.00 0.00 179.01 177.86 3dcy n LEU 226 N -5.04 0.12 -3.74 1.64 0.00 -1.00 -3.73 117.00 105.25 3dcy n LEU 226 Ca -0.02 -0.06 -0.48 0.00 0.00 0.00 0.00 56.01 55.44 3dcy n LEU 226 Cb 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 43.42 43.37 3dcy n LEU 226 CO 0.30 0.03 0.44 -1.54 0.00 0.00 0.00 177.39 176.62 3dcy n SER 228 N -0.13 -0.09 0.00 1.96 3.41 -1.12 -4.74 113.62 112.91 3dcy n SER 228 Ca 0.00 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 3dcy n SER 228 Cb 0.03 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3dcy n SER 228 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3dcy n VAL 229 N 1.15 0.00 -3.43 -3.33 0.31 -1.24 -4.98 118.33 106.81 3dcy n VAL 229 Ca 0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.31 3dcy n VAL 229 Cb 0.08 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.90 3dcy n VAL 229 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3dcy s THR 230 N 0.00 -0.37 0.65 2.52 2.01 -1.26 -4.96 115.64 114.23 3dcy s THR 230 Ca 0.00 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 3dcy s THR 230 Cb 0.00 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 3dcy s THR 230 CO 0.00 -0.43 1.14 -2.84 -0.69 0.00 0.00 174.62 171.80 3dcy s PRO 231 N 2.34 2.78 0.23 4.92 0.02 -1.26 -4.89 135.00 139.13 3dcy s PRO 231 Ca 0.09 1.54 -0.32 0.00 0.02 0.00 0.00 61.00 62.33 3dcy s PRO 231 Cb -0.14 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.32 3dcy s PRO 231 CO -0.29 -1.29 1.62 0.09 -0.33 0.00 0.00 177.00 176.79 3dcy n ASN 232 N -2.21 3.62 -1.03 2.53 4.13 -1.26 -1.39 115.26 119.64 3dcy n ASN 232 Ca 0.11 1.10 -0.11 0.00 1.68 0.00 0.00 54.58 57.36 3dcy n ASN 232 Cb 0.51 -1.53 -0.05 0.00 -1.54 0.00 0.00 39.78 37.17 3dcy n ASN 232 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3dcy n THR 233 N 3.08 0.00 -0.31 3.41 -2.24 -0.62 -4.90 114.28 112.71 3dcy n THR 233 Ca 0.14 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.63 3dcy n THR 233 Cb 0.34 -1.32 0.27 0.00 -2.10 0.00 0.00 70.33 67.52 3dcy n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dcy n GLY 234 N 0.02 -3.82 0.00 3.38 0.00 -0.49 -4.67 105.19 99.62 3dcy n GLY 234 Ca -0.11 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3dcy n GLY 234 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dcy n SER 236 N -5.58 0.00 -4.18 1.61 2.88 -0.16 -2.21 113.62 105.98 3dcy n SER 236 Ca 0.13 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.38 3dcy n SER 236 Cb 0.57 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.86 3dcy n SER 236 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3dcy s LEU 237 N 0.00 1.96 0.01 2.46 2.96 -0.66 -0.52 118.68 124.89 3dcy s LEU 237 Ca 0.00 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 3dcy s LEU 237 Cb 0.00 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 3dcy s LEU 237 CO 0.00 0.16 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.65 3dcy s PHE 238 N 0.15 1.62 -0.22 5.38 0.08 -0.41 0.25 117.98 124.82 3dcy s PHE 238 Ca -0.09 -0.33 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 3dcy s PHE 238 Cb -0.14 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 3dcy s PHE 238 CO 0.04 0.02 0.07 0.42 -0.10 0.00 0.00 175.22 175.68 3dcy s ILE 239 N -0.61 4.53 -0.17 0.64 -1.09 0.24 -0.69 121.20 124.04 3dcy s ILE 239 Ca 0.06 -0.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.30 3dcy s ILE 239 Cb -0.08 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 3dcy s ILE 239 CO 0.00 0.39 0.09 -0.63 -1.23 0.00 0.00 174.94 173.56 3dcy s ILE 240 N 1.09 5.07 -0.09 2.92 -1.09 0.15 -1.06 121.20 128.19 3dcy s ILE 240 Ca 0.04 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.54 3dcy s ILE 240 Cb -0.14 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.48 3dcy s ILE 240 CO 0.03 0.50 -0.13 0.20 -1.23 0.00 0.00 174.94 174.31 3dcy s ASN 241 N 0.01 2.15 -0.14 3.58 -0.87 0.36 -1.51 114.94 118.52 3dcy s ASN 241 Ca 0.08 -0.36 0.01 0.00 -1.57 0.00 0.00 52.86 51.02 3dcy s ASN 241 Cb -0.12 -0.95 0.00 0.00 -0.02 0.00 0.00 41.25 40.16 3dcy s ASN 241 CO 0.00 -0.00 -0.18 -0.36 -2.57 0.00 0.00 177.10 173.99 3dcy s PHE 242 N 0.98 2.72 0.83 2.20 0.08 0.66 -0.69 117.98 124.77 3dcy s PHE 242 Ca -0.08 -1.08 -0.11 0.00 0.12 0.00 0.00 56.93 55.79 3dcy s PHE 242 Cb -0.15 -1.84 0.09 0.00 -0.57 0.00 0.00 43.02 40.55 3dcy s PHE 242 CO -0.01 -0.48 1.10 -1.21 -0.10 0.00 0.00 175.22 174.53 3dcy s GLU 243 N 0.71 1.80 0.62 0.44 2.02 -1.26 -1.21 118.70 121.82 3dcy s GLU 243 Ca -0.08 1.23 -0.17 0.00 0.02 0.00 0.00 54.97 55.97 3dcy s GLU 243 Cb -0.16 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 3dcy s GLU 243 CO 0.01 -1.98 1.14 -1.83 0.02 0.00 0.00 175.26 172.62 3dcy s GLU 244 N -4.84 2.93 0.00 1.61 -1.05 -1.26 -4.52 118.70 111.57 3dcy s GLU 244 Ca 0.63 1.57 0.00 0.00 -0.15 0.00 0.00 54.97 57.01 3dcy s GLU 244 Cb -0.19 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.55 3dcy s GLU 244 CO 0.57 -1.18 0.00 0.41 0.95 0.00 0.00 175.26 176.01 3dcy n GLY 245 N -0.05 0.91 3.61 -3.83 0.00 -0.16 -4.92 105.19 100.74 3dcy n GLY 245 Ca 0.12 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 3dcy n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dcy s ARG 246 N -1.72 3.00 -1.40 1.61 0.52 -1.26 -1.30 118.95 118.39 3dcy s ARG 246 Ca 0.00 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 54.71 3dcy s ARG 246 Cb 0.00 -2.72 0.01 0.00 0.52 0.00 0.00 34.95 32.75 3dcy s ARG 246 CO 0.00 0.61 0.47 -1.91 0.02 0.00 0.00 175.30 174.49 3dcy n GLU 247 N 2.42 -3.55 -2.75 3.54 2.13 -1.26 -4.91 120.64 116.26 3dcy n GLU 247 Ca -0.18 0.44 -0.42 0.00 0.66 0.00 0.00 57.16 57.66 3dcy n GLU 247 Cb 0.53 -4.65 -0.03 0.00 0.27 0.00 0.00 31.44 27.56 3dcy n GLU 247 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dcy s VAL 248 N -3.89 4.82 -0.15 6.31 1.01 -1.26 -5.03 120.40 122.20 3dcy s VAL 248 Ca 0.03 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.71 3dcy s VAL 248 Cb -0.02 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 3dcy s VAL 248 CO 0.88 0.20 1.11 -0.75 0.00 0.00 0.00 175.10 176.54 3dcy s LYS 249 N 0.79 4.31 0.71 2.72 2.20 -1.26 -5.00 119.74 124.21 3dcy s LYS 249 Ca 0.49 1.49 -0.11 0.00 -0.36 0.00 0.00 55.97 57.49 3dcy s LYS 249 Cb -0.21 -3.63 0.02 0.00 -1.51 0.00 0.00 37.83 32.50 3dcy s LYS 249 CO 0.27 -0.54 1.07 -1.25 -0.36 0.00 0.00 175.35 174.54 3dcy s PRO 250 N 2.81 2.77 0.22 4.03 0.04 -1.26 -4.78 135.00 138.82 3dcy s PRO 250 Ca 0.50 0.99 0.07 0.00 0.04 0.00 0.00 61.00 62.59 3dcy s PRO 250 Cb -0.19 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3dcy s PRO 250 CO 0.14 -1.23 0.11 0.95 0.04 0.00 0.00 177.00 177.01 3dcy s THR 251 N -3.02 4.15 -0.02 1.26 -4.23 0.14 -4.93 115.64 108.99 3dcy s THR 251 Ca 0.59 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 3dcy s THR 251 Cb -0.15 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.52 3dcy s THR 251 CO 0.55 -0.24 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.63 3dcy s VAL 252 N -1.98 0.60 -0.20 2.29 1.01 -1.26 -0.49 120.40 120.36 3dcy s VAL 252 Ca 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3dcy s VAL 252 Cb -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.75 3dcy s VAL 252 CO 0.22 0.20 -0.13 -1.10 0.00 0.00 0.00 175.10 174.30 3dcy s GLN 253 N 0.26 3.16 -0.26 2.72 -0.21 -0.22 -1.76 119.66 123.35 3dcy s GLN 253 Ca -0.03 -0.74 -0.26 0.00 0.02 0.00 0.00 55.36 54.34 3dcy s GLN 253 Cb -0.08 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 31.16 3dcy s GLN 253 CO 0.00 -0.21 0.91 0.00 -2.12 0.00 0.00 175.29 173.87 3dcy h ILE 255 N 5.50 0.97 -0.98 0.00 1.08 -0.52 -3.30 117.51 120.27 3dcy h ILE 255 Ca -0.22 -2.35 0.00 0.00 -0.39 0.00 0.00 64.86 61.90 3dcy h ILE 255 Cb 1.08 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.44 3dcy h ILE 255 CO 0.92 0.66 0.00 0.00 -0.69 0.00 0.00 178.15 179.04 3dcy n ASN 258 N 0.00 0.00 -4.73 0.00 3.02 -1.26 -1.65 115.26 110.64 3dcy n ASN 258 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 3dcy n ASN 258 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3dcy n ASN 258 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3dcy s LEU 259 N -0.21 4.36 -0.14 3.41 2.96 -1.26 -4.90 118.68 122.90 3dcy s LEU 259 Ca 0.00 2.86 0.18 0.00 -0.22 0.00 0.00 54.13 56.95 3dcy s LEU 259 Cb 0.00 -3.61 0.44 0.00 0.50 0.00 0.00 46.19 43.52 3dcy s LEU 259 CO 0.00 -0.94 1.19 0.00 -1.32 0.00 0.00 176.35 175.28 3dcy n GLN 260 N 3.51 1.18 0.28 1.98 6.02 -1.26 -4.36 117.38 124.73 3dcy n GLN 260 Ca 0.14 -2.90 0.14 0.00 -0.01 0.00 0.00 57.00 54.37 3dcy n GLN 260 Cb 0.36 -1.05 0.84 0.00 1.02 0.00 0.00 30.24 31.41 3dcy n GLN 260 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3dcy h ASP 261 N 1.28 0.00 0.78 1.08 3.32 -1.96 -0.80 116.42 120.11 3dcy h ASP 261 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3dcy h ASP 261 Cb 1.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.99 3dcy h ASP 261 CO 0.13 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.71 3dcy n HIS 262 N -3.75 0.03 0.71 4.55 1.44 -1.26 -4.01 115.22 112.94 3dcy n HIS 262 Ca -0.02 0.01 0.10 0.00 -2.01 0.00 0.00 57.72 55.79 3dcy n HIS 262 Cb 0.15 -0.51 -0.13 0.00 0.12 0.00 0.00 29.99 29.62 3dcy n HIS 262 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3dcy n LEU 263 N -1.52 0.72 0.00 2.39 4.77 -0.31 -4.70 117.00 118.34 3dcy n LEU 263 Ca 0.05 -0.38 0.14 0.00 -0.03 0.00 0.00 56.01 55.80 3dcy n LEU 263 Cb 0.26 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.18 3dcy n LEU 263 CO 0.21 0.18 1.00 -0.46 -1.33 0.00 0.00 177.39 176.99