#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcu s LEU 4 N 0.00 3.92 0.28 0.99 2.96 -1.26 -5.06 118.68 120.51 3hcu s LEU 4 Ca 0.00 0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.97 3hcu s LEU 4 Cb 0.00 -1.95 -0.12 0.00 0.50 0.00 0.00 46.19 44.62 3hcu s LEU 4 CO 0.00 0.33 0.14 -0.81 -1.32 0.00 0.00 176.35 174.69 3hcu n PRO 5 N 2.50 0.00 -0.17 0.98 -0.04 -1.26 -4.65 135.00 132.37 3hcu n PRO 5 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.24 3hcu n PRO 5 Cb 0.54 -0.78 0.17 0.00 -0.04 0.00 0.00 33.50 33.39 3hcu n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hcu h ARG 6 N 0.36 0.92 -0.27 0.54 2.47 -1.98 -1.84 114.38 114.59 3hcu h ARG 6 Ca -0.27 -0.17 0.05 0.00 -1.26 0.00 0.00 59.98 58.32 3hcu h ARG 6 Cb 1.12 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.25 3hcu h ARG 6 CO 0.38 0.79 -0.01 -0.09 0.56 0.00 0.00 179.97 181.60 3hcu h ARG 7 N 0.89 0.07 -0.43 0.04 9.65 -1.99 0.51 114.38 123.12 3hcu h ARG 7 Ca 0.20 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.01 3hcu h ARG 7 Cb 0.25 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 3hcu h ARG 7 CO -0.01 0.04 0.02 0.82 2.80 0.00 0.00 179.97 183.65 3hcu h ILE 8 N 0.07 1.26 -0.27 1.20 2.04 -1.85 -0.19 117.51 119.76 3hcu h ILE 8 Ca 0.13 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3hcu h ILE 8 Cb 0.17 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3hcu h ILE 8 CO -0.22 0.34 0.16 0.40 0.00 0.00 0.00 178.15 178.83 3hcu h ILE 9 N 0.59 1.04 -0.18 -0.67 1.08 -0.74 -1.00 117.51 117.64 3hcu h ILE 9 Ca 0.12 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 3hcu h ILE 9 Cb 0.46 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3hcu h ILE 9 CO 0.02 0.06 -0.14 0.50 -0.69 0.00 0.00 178.15 177.90 3hcu h LYS 10 N 0.34 0.41 -0.91 2.37 3.64 0.06 -2.99 116.57 119.49 3hcu h LYS 10 Ca 0.10 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3hcu h LYS 10 Cb -0.02 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3hcu h LYS 10 CO -0.04 0.75 0.60 1.49 -2.27 0.00 0.00 179.45 179.98 3hcu h GLU 11 N 0.08 1.08 0.17 1.90 4.81 -0.92 -2.60 114.58 119.11 3hcu h GLU 11 Ca 0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3hcu h GLU 11 Cb 0.66 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3hcu h GLU 11 CO 0.04 0.71 -0.10 1.15 -0.73 0.00 0.00 179.01 180.08 3hcu h THR 12 N 1.11 0.79 -0.93 0.32 2.02 -1.15 -2.88 112.91 112.20 3hcu h THR 12 Ca 0.37 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.71 3hcu h THR 12 Cb 0.07 0.79 -0.10 0.00 -1.74 0.00 0.00 68.15 67.17 3hcu h THR 12 CO -0.12 0.00 0.53 1.56 0.37 0.00 0.00 175.52 177.86 3hcu h GLN 13 N -0.26 0.71 -0.26 6.66 4.20 -1.32 -1.56 115.11 123.28 3hcu h GLN 13 Ca -0.02 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3hcu h GLN 13 Cb 0.21 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3hcu h GLN 13 CO 0.02 0.47 -0.16 0.00 -0.67 0.00 0.00 178.83 178.49 3hcu h ARG 14 N 0.73 0.46 0.01 1.46 2.47 -1.34 0.14 114.38 118.32 3hcu h ARG 14 Ca 0.51 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 59.09 3hcu h ARG 14 Cb 0.72 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 3hcu h ARG 14 CO -0.36 0.62 -0.01 -0.07 0.56 0.00 0.00 179.97 180.72 3hcu h LEU 15 N 0.42 -0.01 -1.62 3.04 3.38 -1.10 0.35 115.31 119.77 3hcu h LEU 15 Ca 0.07 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 3hcu h LEU 15 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hcu h LEU 15 CO 0.03 0.60 0.08 -0.07 0.09 0.00 0.00 178.44 179.17 3hcu h LEU 16 N -0.63 0.29 0.29 1.67 3.38 -1.34 0.19 115.31 119.16 3hcu h LEU 16 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hcu h LEU 16 Cb 0.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hcu h LEU 16 CO 0.00 0.28 -0.14 0.00 0.09 0.00 0.00 178.44 178.68 3hcu h ALA 17 N 1.77 -0.39 -2.20 1.53 0.00 -0.59 -3.38 119.26 116.00 3hcu h ALA 17 Ca 0.08 -0.14 -0.63 0.00 0.00 0.00 0.00 54.91 54.22 3hcu h ALA 17 Cb 0.09 0.15 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 3hcu h ALA 17 CO -0.01 -0.39 -0.39 -1.91 0.00 0.00 0.00 179.25 176.56 3hcu n GLU 18 N -5.03 2.79 -1.64 0.00 0.00 0.12 -5.07 120.64 111.81 3hcu n GLU 18 Ca -0.06 -4.65 -0.39 0.00 0.00 0.00 0.00 57.16 52.05 3hcu n GLU 18 Cb 0.21 -2.30 0.03 0.00 0.00 0.00 0.00 31.44 29.39 3hcu n GLU 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3hcu n PRO 19 N 0.97 1.28 -2.36 5.31 -0.04 0.66 -4.69 135.00 136.13 3hcu n PRO 19 Ca 0.29 0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 63.81 3hcu n PRO 19 Cb 0.40 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 3hcu n PRO 19 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hcu s VAL 20 N -1.38 3.46 0.30 0.52 1.01 -1.26 -4.96 120.40 118.09 3hcu s VAL 20 Ca 0.70 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 3hcu s VAL 20 Cb -0.47 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 3hcu s VAL 20 CO 0.52 0.23 1.61 -2.84 0.00 0.00 0.00 175.10 174.61 3hcu s PRO 21 N -0.56 4.11 0.00 2.72 0.02 -1.26 -1.85 135.00 138.18 3hcu s PRO 21 Ca 0.51 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.14 3hcu s PRO 21 Cb -0.33 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3hcu s PRO 21 CO 0.39 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3hcu n GLY 22 N 2.17 0.92 2.99 0.52 0.00 -1.26 -5.00 105.19 105.52 3hcu n GLY 22 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3hcu n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hcu s ILE 23 N -3.67 0.73 -0.13 -0.61 1.01 -0.77 -1.35 121.20 116.42 3hcu s ILE 23 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3hcu s ILE 23 Cb 0.00 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.82 3hcu s ILE 23 CO 0.00 0.24 -0.19 -0.54 0.00 0.00 0.00 174.94 174.44 3hcu s LYS 24 N 0.27 2.70 -0.12 2.79 1.02 -0.18 -4.26 119.74 121.95 3hcu s LYS 24 Ca -0.04 -0.74 -0.06 0.00 0.02 0.00 0.00 55.97 55.15 3hcu s LYS 24 Cb -0.09 -2.22 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 3hcu s LYS 24 CO 0.00 -0.04 0.29 0.00 -0.92 0.00 0.00 175.35 174.68 3hcu s ALA 25 N 0.90 -0.69 0.06 5.17 0.00 -1.26 -0.17 121.76 125.78 3hcu s ALA 25 Ca -0.06 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.05 3hcu s ALA 25 Cb -0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3hcu s ALA 25 CO -0.02 -0.27 -0.09 -1.83 0.00 0.00 0.00 175.76 173.55 3hcu s GLU 26 N 1.43 0.65 0.88 0.00 -1.05 -0.97 -4.75 118.70 114.89 3hcu s GLU 26 Ca -0.08 -0.88 -0.11 0.00 -0.15 0.00 0.00 54.97 53.74 3hcu s GLU 26 Cb -0.10 -0.43 0.12 0.00 -0.44 0.00 0.00 34.13 33.28 3hcu s GLU 26 CO -0.10 0.08 1.09 -1.25 0.95 0.00 0.00 175.26 176.03 3hcu s PRO 27 N -1.90 1.42 0.05 -4.83 0.04 -1.26 -0.85 135.00 127.67 3hcu s PRO 27 Ca -0.05 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.53 3hcu s PRO 27 Cb -0.08 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 3hcu s PRO 27 CO 0.00 -2.14 1.29 0.34 0.04 0.00 0.00 177.00 176.54 3hcu s ASP 28 N -3.45 6.96 0.00 6.66 3.68 0.13 -4.73 116.67 125.92 3hcu s ASP 28 Ca 0.63 2.10 0.07 0.00 2.13 0.00 0.00 52.55 57.48 3hcu s ASP 28 Cb -0.18 -2.58 0.42 0.00 -1.45 0.00 0.00 42.92 39.14 3hcu s ASP 28 CO 0.57 -0.58 0.83 -1.84 0.13 0.00 0.00 175.17 174.28 3hcu n GLU 29 N 4.31 0.32 0.00 4.34 0.00 -1.26 -1.96 120.64 126.39 3hcu n GLU 29 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 3hcu n GLU 29 Cb 0.45 -1.34 0.00 0.00 0.00 0.00 0.00 31.44 30.54 3hcu n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hcu n SER 30 N -0.84 0.06 -3.15 -1.84 2.88 -1.26 -5.03 113.62 104.44 3hcu n SER 30 Ca 0.05 -0.33 0.05 0.00 -1.33 0.00 0.00 58.87 57.32 3hcu n SER 30 Cb 0.02 0.41 -0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3hcu n SER 30 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3hcu s ASN 31 N -0.41 -0.65 0.60 -3.46 3.84 -0.83 -5.04 114.94 109.00 3hcu s ASN 31 Ca 0.00 0.15 0.29 0.00 0.21 0.00 0.00 52.86 53.52 3hcu s ASN 31 Cb 0.00 1.44 1.58 0.00 -0.55 0.00 0.00 41.25 43.72 3hcu s ASN 31 CO 0.00 -0.12 1.97 0.00 -2.79 0.00 0.00 177.10 176.16 3hcu h ALA 32 N 7.57 1.88 0.00 1.71 0.00 -1.95 0.19 119.26 128.67 3hcu h ALA 32 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hcu h ALA 32 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hcu h ALA 32 CO -0.05 -0.50 0.00 0.54 0.00 0.00 0.00 179.25 179.24 3hcu n ARG 33 N -3.58 0.09 -4.45 0.00 5.12 -1.26 -4.59 116.66 107.99 3hcu n ARG 33 Ca 0.04 0.41 -0.33 0.00 -1.93 0.00 0.00 57.85 56.05 3hcu n ARG 33 Cb 0.50 -1.71 -0.10 0.00 -1.16 0.00 0.00 32.46 29.98 3hcu n ARG 33 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3hcu s TYR 34 N -3.21 2.94 0.05 -1.55 2.02 0.05 0.00 117.35 117.66 3hcu s TYR 34 Ca 0.03 0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 3hcu s TYR 34 Cb 0.08 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 3hcu s TYR 34 CO 0.26 0.39 -0.13 -0.06 -1.57 0.00 0.00 175.55 174.44 3hcu s PHE 35 N -0.97 1.10 -0.33 2.71 0.08 0.13 0.17 117.98 120.87 3hcu s PHE 35 Ca 0.16 -0.40 -0.05 0.00 0.12 0.00 0.00 56.93 56.76 3hcu s PHE 35 Cb -0.11 -0.64 0.04 0.00 -0.57 0.00 0.00 43.02 41.74 3hcu s PHE 35 CO 0.07 0.02 0.08 -1.01 -0.10 0.00 0.00 175.22 174.28 3hcu s HIS 36 N -1.04 3.24 -0.04 0.36 3.76 -0.03 -2.13 115.29 119.41 3hcu s HIS 36 Ca -0.01 -1.48 0.01 0.00 -0.15 0.00 0.00 55.06 53.43 3hcu s HIS 36 Cb -0.09 -2.24 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 3hcu s HIS 36 CO 0.01 -0.73 -0.04 0.08 -0.85 0.00 0.00 174.74 173.21 3hcu s VAL 37 N 1.38 3.89 -0.09 -0.90 1.01 -0.37 -2.29 120.40 123.03 3hcu s VAL 37 Ca -0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3hcu s VAL 37 Cb -0.19 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3hcu s VAL 37 CO 0.02 0.49 -0.04 -0.69 0.00 0.00 0.00 175.10 174.88 3hcu s VAL 38 N -0.94 0.69 -0.15 2.92 1.01 0.76 -0.36 120.40 124.34 3hcu s VAL 38 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3hcu s VAL 38 Cb -0.11 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 3hcu s VAL 38 CO 0.05 0.31 -0.16 -0.63 0.00 0.00 0.00 175.10 174.67 3hcu s ILE 39 N 1.85 2.63 0.01 2.22 1.01 0.12 -1.01 121.20 128.03 3hcu s ILE 39 Ca 0.05 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 3hcu s ILE 39 Cb -0.12 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 3hcu s ILE 39 CO -0.07 0.52 1.01 0.00 0.00 0.00 0.00 174.94 176.41 3hcu s ALA 40 N 0.74 3.20 0.06 9.38 0.00 -0.46 -1.53 121.76 133.16 3hcu s ALA 40 Ca -0.07 0.59 -0.35 0.00 0.00 0.00 0.00 51.96 52.14 3hcu s ALA 40 Cb -0.16 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 3hcu s ALA 40 CO 0.01 -0.26 1.63 0.41 0.00 0.00 0.00 175.76 177.55 3hcu n GLY 41 N 2.94 1.11 3.52 0.00 0.00 0.12 -4.91 105.19 107.97 3hcu n GLY 41 Ca 0.06 0.73 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 3hcu n GLY 41 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hcu n PRO 42 N 4.24 0.20 -2.97 1.61 -0.02 -1.26 -4.11 135.00 132.69 3hcu n PRO 42 Ca 0.19 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.45 3hcu n PRO 42 Cb 0.27 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 3hcu n PRO 42 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3hcu s GLN 43 N -3.28 4.24 0.00 -0.52 -1.52 -1.26 -3.21 119.66 114.10 3hcu s GLN 43 Ca 0.67 0.97 0.00 0.00 -1.95 0.00 0.00 55.36 55.05 3hcu s GLN 43 Cb -0.31 -2.53 0.00 0.00 -0.22 0.00 0.00 33.01 29.95 3hcu s GLN 43 CO 0.57 0.18 0.00 -0.25 -0.25 0.00 0.00 175.29 175.54 3hcu n ASP 44 N -0.02 0.00 -4.93 5.90 9.92 -1.26 -4.97 116.55 121.20 3hcu n ASP 44 Ca 0.03 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.04 3hcu n ASP 44 Cb 0.52 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 3hcu n ASP 44 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3hcu s SER 45 N -3.09 6.12 0.64 -2.24 1.04 -1.21 -4.97 113.70 109.99 3hcu s SER 45 Ca 0.00 0.62 0.36 0.00 0.48 0.00 0.00 55.95 57.41 3hcu s SER 45 Cb 0.00 -1.98 2.01 0.00 0.10 0.00 0.00 66.02 66.15 3hcu s SER 45 CO 0.00 -0.55 2.21 -0.65 0.98 0.00 0.00 173.24 175.23 3hcu h PRO 46 N 0.40 0.00 -0.64 4.02 0.11 -1.86 -1.45 132.00 132.58 3hcu h PRO 46 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hcu h PRO 46 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hcu h PRO 46 CO 0.61 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.59 3hcu n PHE 47 N -3.36 1.63 -1.70 0.65 3.01 -1.26 -3.78 117.46 112.65 3hcu n PHE 47 Ca -0.02 -0.59 -0.43 0.00 1.01 0.00 0.00 57.45 57.42 3hcu n PHE 47 Cb 0.19 -0.37 -0.03 0.00 -0.01 0.00 0.00 39.48 39.25 3hcu n PHE 47 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hcu n GLU 48 N 0.72 2.65 -1.22 -1.08 2.13 -0.55 -2.69 120.64 120.60 3hcu n GLU 48 Ca 0.24 0.96 0.00 0.00 0.66 0.00 0.00 57.16 59.02 3hcu n GLU 48 Cb 0.97 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.87 3hcu n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hcu n GLY 49 N 4.00 0.62 3.25 8.31 0.00 -1.26 -4.99 105.19 115.12 3hcu n GLY 49 Ca 0.17 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 3hcu n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcu s GLY 50 N -2.79 1.12 -0.31 -0.02 0.00 -1.09 -4.74 107.32 99.49 3hcu s GLY 50 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 44.72 43.44 3hcu s GLY 50 CO 0.00 -1.27 0.04 -1.59 0.00 0.00 0.00 173.10 170.28 3hcu s THR 51 N -1.63 3.39 -0.15 0.90 2.01 0.76 -0.71 115.64 120.22 3hcu s THR 51 Ca 0.06 -1.15 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 3hcu s THR 51 Cb -0.08 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 3hcu s THR 51 CO 0.04 -0.06 0.16 -0.36 -0.69 0.00 0.00 174.62 173.71 3hcu s PHE 52 N 1.35 3.51 -0.14 4.92 0.40 -0.58 -4.72 117.98 122.72 3hcu s PHE 52 Ca -0.02 0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 56.72 3hcu s PHE 52 Cb -0.19 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 3hcu s PHE 52 CO 0.00 0.49 0.06 0.15 0.70 0.00 0.00 175.22 176.62 3hcu s LYS 53 N -0.27 3.57 0.10 0.44 1.02 -1.26 -0.70 119.74 122.63 3hcu s LYS 53 Ca 0.12 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 55.83 3hcu s LYS 53 Cb -0.12 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 3hcu s LYS 53 CO 0.02 0.51 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.36 3hcu s LEU 54 N -0.31 2.41 -0.16 3.17 1.02 0.51 0.10 118.68 125.43 3hcu s LEU 54 Ca 0.09 -0.83 0.02 0.00 0.02 0.00 0.00 54.13 53.43 3hcu s LEU 54 Cb -0.12 -0.26 0.01 0.00 0.02 0.00 0.00 46.19 45.84 3hcu s LEU 54 CO 0.02 -0.29 -0.21 -0.70 0.02 0.00 0.00 176.35 175.19 3hcu s GLU 55 N -2.89 3.00 -0.13 1.70 2.12 0.72 -1.24 118.70 121.98 3hcu s GLU 55 Ca 0.06 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.54 3hcu s GLU 55 Cb -0.02 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 3hcu s GLU 55 CO -0.01 -0.10 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.34 3hcu s LEU 56 N 1.02 2.84 -0.04 2.70 0.20 -0.91 -1.44 118.68 123.05 3hcu s LEU 56 Ca -0.02 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.57 3hcu s LEU 56 Cb -0.14 -1.64 -0.00 0.00 -0.43 0.00 0.00 46.19 43.97 3hcu s LEU 56 CO -0.07 0.18 -0.16 0.12 -0.29 0.00 0.00 176.35 176.14 3hcu s PHE 57 N 0.25 1.61 -0.44 5.38 5.36 0.45 0.22 117.98 130.82 3hcu s PHE 57 Ca -0.08 -0.44 -0.14 0.00 -0.96 0.00 0.00 56.93 55.31 3hcu s PHE 57 Cb -0.15 -1.08 0.05 0.00 -0.34 0.00 0.00 43.02 41.50 3hcu s PHE 57 CO 0.05 -0.15 0.34 -0.51 -1.46 0.00 0.00 175.22 173.49 3hcu s LEU 58 N 0.02 5.35 1.12 6.12 1.43 0.10 -0.78 118.68 132.04 3hcu s LEU 58 Ca -0.03 -1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 51.73 3hcu s LEU 58 Cb -0.11 -2.14 0.18 0.00 0.03 0.00 0.00 46.19 44.15 3hcu s LEU 58 CO 0.02 -0.55 0.53 -2.65 0.23 0.00 0.00 176.35 173.92 3hcu n PRO 59 N 5.15 -1.79 0.17 1.29 -0.02 -1.26 -4.86 135.00 133.67 3hcu n PRO 59 Ca -0.12 -0.49 0.01 0.00 -2.02 0.00 0.00 63.50 60.88 3hcu n PRO 59 Cb 0.45 -1.95 0.30 0.00 -0.02 0.00 0.00 33.50 32.28 3hcu n PRO 59 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hcu h GLU 60 N -2.28 0.00 0.00 -0.52 5.08 -1.98 -2.63 114.58 112.26 3hcu h GLU 60 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 3hcu h GLU 60 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3hcu h GLU 60 CO 0.43 0.46 0.00 0.39 -1.00 0.00 0.00 179.01 179.28 3hcu n GLU 61 N -3.96 0.69 -1.88 2.33 -0.58 -1.26 -4.84 120.64 111.14 3hcu n GLU 61 Ca -0.02 0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.34 3hcu n GLU 61 Cb 0.48 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.87 3hcu n GLU 61 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3hcu s TYR 62 N -2.26 2.54 -2.01 -0.32 5.04 -0.99 0.14 117.35 119.48 3hcu s TYR 62 Ca 0.37 1.32 0.06 0.00 -2.44 0.00 0.00 57.07 56.38 3hcu s TYR 62 Cb 0.20 -3.82 0.21 0.00 0.35 0.00 0.00 41.96 38.89 3hcu s TYR 62 CO 0.38 -2.67 1.16 -0.35 -1.34 0.00 0.00 175.55 172.73 3hcu n PRO 63 N -0.24 1.30 0.05 4.97 -0.04 -1.26 -4.82 135.00 134.96 3hcu n PRO 63 Ca 0.06 -0.46 -0.17 0.00 -0.04 0.00 0.00 63.50 62.89 3hcu n PRO 63 Cb 0.43 -1.13 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 3hcu n PRO 63 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3hcu h MET 64 N 0.76 0.59 -5.89 0.54 2.86 -0.65 -3.20 114.93 109.95 3hcu h MET 64 Ca 0.00 -0.62 -0.64 0.00 -2.06 0.00 0.00 59.70 56.38 3hcu h MET 64 Cb 0.17 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.94 3hcu h MET 64 CO 0.00 1.23 -0.52 0.00 1.06 0.00 0.00 176.91 178.67 3hcu s ALA 65 N -3.35 3.82 0.68 6.32 0.00 -0.66 -4.67 121.76 123.90 3hcu s ALA 65 Ca -0.08 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 3hcu s ALA 65 Cb 0.08 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.44 3hcu s ALA 65 CO 0.90 0.73 1.11 0.00 0.00 0.00 0.00 175.76 178.50 3hcu s ALA 66 N -1.28 2.43 0.11 0.00 0.00 -1.26 -4.02 121.76 117.74 3hcu s ALA 66 Ca 0.26 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 3hcu s ALA 66 Cb -0.12 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3hcu s ALA 66 CO 0.17 -1.36 1.19 -2.14 0.00 0.00 0.00 175.76 173.63 3hcu s PRO 67 N -4.19 4.46 -0.07 0.00 0.02 -1.26 -4.57 135.00 129.39 3hcu s PRO 67 Ca 0.66 1.81 -0.23 0.00 0.02 0.00 0.00 61.00 63.26 3hcu s PRO 67 Cb -0.20 -3.30 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 3hcu s PRO 67 CO 0.43 -0.18 0.70 0.15 -0.33 0.00 0.00 177.00 177.78 3hcu s LYS 68 N 0.52 4.44 0.04 5.54 1.02 0.04 -4.89 119.74 126.44 3hcu s LYS 68 Ca 0.56 0.88 0.05 0.00 0.02 0.00 0.00 55.97 57.49 3hcu s LYS 68 Cb -0.31 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 3hcu s LYS 68 CO 0.32 0.06 -0.16 0.08 -0.92 0.00 0.00 175.35 174.74 3hcu s VAL 69 N 0.80 1.25 -0.05 3.17 1.01 -1.26 -0.41 120.40 124.92 3hcu s VAL 69 Ca 0.38 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3hcu s VAL 69 Cb -0.18 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.11 3hcu s VAL 69 CO 0.18 0.06 0.30 0.00 0.00 0.00 0.00 175.10 175.64 3hcu s ARG 70 N -1.13 0.56 0.27 2.72 1.70 -0.52 -3.98 118.95 118.59 3hcu s ARG 70 Ca 0.03 -0.01 -0.29 0.00 -0.47 0.00 0.00 55.73 54.99 3hcu s ARG 70 Cb -0.08 0.25 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 3hcu s ARG 70 CO 0.01 -0.14 1.00 -0.06 -1.08 0.00 0.00 175.30 175.04 3hcu s PHE 71 N -0.87 3.77 -0.16 5.89 0.40 0.17 -0.20 117.98 126.98 3hcu s PHE 71 Ca -0.10 1.81 0.13 0.00 -0.60 0.00 0.00 56.93 58.18 3hcu s PHE 71 Cb -0.04 -3.08 -0.19 0.00 0.51 0.00 0.00 43.02 40.21 3hcu s PHE 71 CO 0.03 0.03 0.04 -1.33 0.70 0.00 0.00 175.22 174.69 3hcu n MET 72 N 1.16 1.35 -3.01 0.44 2.81 0.29 -4.40 117.12 115.76 3hcu n MET 72 Ca -0.01 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.48 3hcu n MET 72 Cb 0.47 -1.41 -0.05 0.00 -0.71 0.00 0.00 33.22 31.53 3hcu n MET 72 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hcu s THR 73 N -2.39 4.99 0.59 2.03 2.01 -1.06 -4.95 115.64 116.86 3hcu s THR 73 Ca -0.09 1.53 -0.19 0.00 0.31 0.00 0.00 61.69 63.24 3hcu s THR 73 Cb 0.05 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3hcu s THR 73 CO 0.64 0.26 1.10 0.29 -0.69 0.00 0.00 174.62 176.21 3hcu n LYS 74 N 3.67 1.09 -3.64 4.92 4.76 -1.26 -4.86 118.16 122.85 3hcu n LYS 74 Ca -0.01 0.42 -0.14 0.00 -2.87 0.00 0.00 58.31 55.71 3hcu n LYS 74 Cb 0.51 -2.30 -0.07 0.00 -1.84 0.00 0.00 35.03 31.33 3hcu n LYS 74 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3hcu s ILE 75 N -1.44 0.00 -0.63 -0.18 2.07 -1.26 -4.81 121.20 114.95 3hcu s ILE 75 Ca 0.76 -0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.83 3hcu s ILE 75 Cb -0.42 -0.95 0.15 0.00 0.13 0.00 0.00 42.46 41.37 3hcu s ILE 75 CO 0.46 -0.00 0.63 -0.47 -1.91 0.00 0.00 174.94 173.65 3hcu s TYR 76 N 0.27 3.31 -0.22 3.50 5.04 -1.26 -4.95 117.35 123.04 3hcu s TYR 76 Ca -0.01 -1.39 -0.15 0.00 -2.44 0.00 0.00 57.07 53.08 3hcu s TYR 76 Cb -0.04 -3.87 0.06 0.00 0.35 0.00 0.00 41.96 38.46 3hcu s TYR 76 CO 0.01 -1.09 0.55 -1.58 -1.34 0.00 0.00 175.55 172.10 3hcu s HIS 77 N 1.54 -0.74 -0.62 4.97 2.46 -1.26 -4.68 115.29 116.96 3hcu s HIS 77 Ca 0.09 1.61 0.01 0.00 0.47 0.00 0.00 55.06 57.25 3hcu s HIS 77 Cb -0.23 0.35 0.08 0.00 -0.13 0.00 0.00 32.58 32.64 3hcu s HIS 77 CO 0.00 -0.37 0.89 -0.35 -2.47 0.00 0.00 174.74 172.44 3hcu n PRO 78 N 3.67 0.01 -0.24 2.88 -0.04 -1.26 -2.06 135.00 137.95 3hcu n PRO 78 Ca -0.18 0.36 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 3hcu n PRO 78 Cb 0.57 -1.70 0.19 0.00 -0.04 0.00 0.00 33.50 32.52 3hcu n PRO 78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hcu n ASN 79 N -1.41 3.06 -3.88 3.54 5.03 -1.26 -1.86 115.26 118.48 3hcu n ASN 79 Ca -0.00 -2.95 -0.16 0.00 0.87 0.00 0.00 54.58 52.34 3hcu n ASN 79 Cb 0.17 -0.45 -0.15 0.00 -1.02 0.00 0.00 39.78 38.33 3hcu n ASN 79 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hcu s VAL 80 N -2.67 0.25 0.29 2.41 1.01 -0.87 0.13 120.40 120.95 3hcu s VAL 80 Ca 0.35 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3hcu s VAL 80 Cb 0.29 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.46 3hcu s VAL 80 CO 0.06 0.11 0.40 -0.90 0.00 0.00 0.00 175.10 174.77 3hcu n ASP 81 N 3.48 0.61 0.14 3.32 3.85 -0.52 -4.66 116.55 122.77 3hcu n ASP 81 Ca -0.19 -1.50 0.02 0.00 -0.71 0.00 0.00 54.79 52.42 3hcu n ASP 81 Cb 0.55 -0.25 0.39 0.00 -1.35 0.00 0.00 41.12 40.46 3hcu n ASP 81 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3hcu h LYS 82 N 0.00 0.17 0.00 0.11 1.57 -1.93 -1.77 116.57 114.72 3hcu h LYS 82 Ca -0.13 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3hcu h LYS 82 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3hcu h LYS 82 CO 0.15 0.37 0.00 1.28 -0.57 0.00 0.00 179.45 180.68 3hcu n LEU 83 N -4.24 0.00 0.00 2.94 4.77 -1.26 -4.89 117.00 114.32 3hcu n LEU 83 Ca -0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3hcu n LEU 83 Cb 0.30 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3hcu n LEU 83 CO 0.38 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3hcu n GLY 84 N 1.04 0.70 3.76 -0.72 0.00 -0.66 -4.77 105.19 104.54 3hcu n GLY 84 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3hcu n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcu s ARG 85 N -0.69 4.53 -0.19 1.61 1.81 -1.26 0.45 118.95 125.21 3hcu s ARG 85 Ca 0.00 1.96 -0.12 0.00 -1.72 0.00 0.00 55.73 55.84 3hcu s ARG 85 Cb 0.00 -3.15 -0.05 0.00 -0.45 0.00 0.00 34.95 31.30 3hcu s ARG 85 CO 0.00 0.05 0.24 0.42 -0.68 0.00 0.00 175.30 175.32 3hcu s ILE 86 N -1.06 5.33 -0.59 1.52 1.01 -1.26 -1.44 121.20 124.72 3hcu s ILE 86 Ca 0.47 0.41 -0.17 0.00 0.00 0.00 0.00 60.65 61.36 3hcu s ILE 86 Cb -0.35 -3.58 0.13 0.00 0.01 0.00 0.00 42.46 38.67 3hcu s ILE 86 CO 0.45 0.39 0.60 0.00 0.00 0.00 0.00 174.94 176.38 3hcu s LEU 88 N 1.91 2.03 0.07 0.00 2.96 -1.26 -4.80 118.68 119.59 3hcu s LEU 88 Ca 0.08 -0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 53.58 3hcu s LEU 88 Cb -0.26 -0.26 -0.13 0.00 0.50 0.00 0.00 46.19 46.04 3hcu s LEU 88 CO 0.03 0.04 1.42 -2.24 -1.32 0.00 0.00 176.35 174.28 3hcu h ASP 89 N 5.87 -1.11 0.00 3.68 -0.00 -1.96 -2.43 116.42 120.48 3hcu h ASP 89 Ca -0.29 0.10 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 3hcu h ASP 89 Cb 1.19 0.38 0.00 0.00 -0.00 0.00 0.00 39.33 40.90 3hcu h ASP 89 CO 0.49 -0.49 0.07 2.30 -0.00 0.00 0.00 179.24 181.61 3hcu n ILE 90 N -4.75 1.31 0.86 4.15 -5.35 -1.26 0.30 119.36 114.63 3hcu n ILE 90 Ca -0.08 0.39 0.09 0.00 -0.27 0.00 0.00 62.75 62.88 3hcu n ILE 90 Cb 0.34 -1.39 -0.07 0.00 -1.74 0.00 0.00 39.64 36.77 3hcu n ILE 90 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3hcu n LEU 91 N -1.31 1.16 0.00 7.28 4.77 -0.93 -3.57 117.00 124.39 3hcu n LEU 91 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3hcu n LEU 91 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3hcu n LEU 91 CO 0.00 0.25 0.00 0.29 -1.33 0.00 0.00 177.39 176.60 3hcu n LYS 92 N -1.02 0.00 -0.00 3.23 5.02 0.15 -4.77 118.16 120.77 3hcu n LYS 92 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 3hcu n LYS 92 Cb 0.32 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.19 3hcu n LYS 92 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3hcu h ASP 93 N 0.00 0.18 0.00 4.39 3.32 -1.87 -3.35 116.42 119.10 3hcu h ASP 93 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3hcu h ASP 93 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3hcu h ASP 93 CO 0.00 1.36 0.00 0.29 -1.72 0.00 0.00 179.24 179.17 3hcu n LYS 94 N -3.24 0.88 -2.43 3.56 5.02 -1.10 -4.86 118.16 115.99 3hcu n LYS 94 Ca -0.22 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.77 3hcu n LYS 94 Cb 1.05 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 34.68 3hcu n LYS 94 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3hcu s TRP 95 N -1.16 3.55 -0.12 2.13 -0.11 -1.23 -4.47 118.94 117.52 3hcu s TRP 95 Ca 0.00 1.09 -0.13 0.00 1.22 0.00 0.00 56.10 58.29 3hcu s TRP 95 Cb 0.00 -2.52 0.03 0.00 -1.50 0.00 0.00 33.47 29.48 3hcu s TRP 95 CO 0.00 -0.37 0.35 0.45 -4.62 0.00 0.00 176.95 172.76 3hcu s SER 96 N -3.77 -0.35 0.00 5.86 0.15 -1.26 -5.02 113.70 109.31 3hcu s SER 96 Ca 0.52 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.81 3hcu s SER 96 Cb -0.10 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 3hcu s SER 96 CO 0.43 -0.16 0.63 -0.81 1.20 0.00 0.00 173.24 174.53 3hcu n PRO 97 N 2.72 0.00 0.08 5.44 -0.04 -1.21 -0.41 135.00 141.58 3hcu n PRO 97 Ca -0.14 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 3hcu n PRO 97 Cb 0.57 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 3hcu n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hcu n ALA 98 N -1.13 2.40 -1.56 0.55 0.00 -1.26 -4.89 120.51 114.62 3hcu n ALA 98 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 3hcu n ALA 98 Cb 0.01 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.49 3hcu n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hcu s LEU 99 N -5.39 2.91 0.00 0.00 1.43 0.45 -5.07 118.68 113.01 3hcu s LEU 99 Ca -0.02 1.49 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 3hcu s LEU 99 Cb 0.10 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 3hcu s LEU 99 CO 0.80 -1.67 0.14 0.00 0.23 0.00 0.00 176.35 175.86 3hcu n GLN 100 N -3.26 0.59 -0.20 1.70 6.02 -1.26 -4.98 117.38 115.99 3hcu n GLN 100 Ca 0.07 -3.33 -0.09 0.00 -0.01 0.00 0.00 57.00 53.64 3hcu n GLN 100 Cb 0.55 1.82 0.02 0.00 1.02 0.00 0.00 30.24 33.65 3hcu n GLN 100 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3hcu h ILE 101 N 1.66 1.25 -0.57 5.09 2.04 -1.97 -1.49 117.51 123.52 3hcu h ILE 101 Ca -0.31 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.60 3hcu h ILE 101 Cb 1.17 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3hcu h ILE 101 CO 0.49 0.35 0.38 -0.09 0.00 0.00 0.00 178.15 179.28 3hcu h ARG 102 N 0.84 0.73 -0.70 2.37 2.43 -1.96 0.92 114.38 119.02 3hcu h ARG 102 Ca 0.17 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3hcu h ARG 102 Cb 0.41 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3hcu h ARG 102 CO 0.01 0.48 0.28 1.15 -1.51 0.00 0.00 179.97 180.38 3hcu h THR 103 N 0.75 1.25 -0.03 0.20 2.02 -1.68 -0.13 112.91 115.29 3hcu h THR 103 Ca 0.21 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3hcu h THR 103 Cb -0.06 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3hcu h THR 103 CO -0.05 0.31 -0.03 0.58 0.37 0.00 0.00 175.52 176.70 3hcu h VAL 104 N 0.99 1.38 -0.54 3.16 2.07 -0.75 -1.75 116.25 120.81 3hcu h VAL 104 Ca 0.23 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 66.67 3hcu h VAL 104 Cb 0.21 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 3hcu h VAL 104 CO -0.02 0.31 0.15 -0.07 0.02 0.00 0.00 177.57 177.96 3hcu h LEU 105 N -0.39 0.09 -0.71 2.57 -0.00 -0.72 -1.10 115.31 115.05 3hcu h LEU 105 Ca 0.00 0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.90 3hcu h LEU 105 Cb 0.52 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.24 3hcu h LEU 105 CO 0.01 0.07 0.18 -0.07 -0.00 0.00 0.00 178.44 178.63 3hcu h LEU 106 N 0.30 1.07 0.20 1.67 3.38 -1.01 -2.37 115.31 118.56 3hcu h LEU 106 Ca 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hcu h LEU 106 Cb 0.34 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hcu h LEU 106 CO -0.31 1.03 -0.10 -1.28 0.09 0.00 0.00 178.44 177.87 3hcu h SER 107 N 1.07 -0.23 -0.70 -0.43 0.87 -0.47 -1.68 113.55 111.98 3hcu h SER 107 Ca 0.22 -0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.84 3hcu h SER 107 Cb 0.37 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 3hcu h SER 107 CO 0.00 -0.13 0.35 0.40 -0.53 0.00 0.00 176.83 176.93 3hcu h ILE 108 N -0.31 0.87 -0.49 2.23 2.04 -1.20 -0.97 117.51 119.68 3hcu h ILE 108 Ca -0.03 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3hcu h ILE 108 Cb 0.24 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3hcu h ILE 108 CO 0.05 0.11 0.06 -0.61 0.00 0.00 0.00 178.15 177.75 3hcu h GLN 109 N 0.61 0.78 -0.19 2.37 4.15 -1.20 -2.03 115.11 119.61 3hcu h GLN 109 Ca 0.34 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 3hcu h GLN 109 Cb 0.33 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3hcu h GLN 109 CO -0.25 0.75 -0.39 0.00 -1.93 0.00 0.00 178.83 177.01 3hcu h ALA 110 N 1.32 0.98 0.00 3.38 0.00 -0.66 -2.25 119.26 122.03 3hcu h ALA 110 Ca 0.15 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hcu h ALA 110 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hcu h ALA 110 CO 0.01 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 181.11 3hcu h LEU 111 N 0.35 0.00 0.06 0.00 5.85 -0.46 -0.68 115.31 120.43 3hcu h LEU 111 Ca 0.03 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.55 3hcu h LEU 111 Cb 0.84 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3hcu h LEU 111 CO 0.07 0.01 -1.07 -0.07 -0.34 0.00 0.00 178.44 177.04 3hcu h LEU 112 N 0.00 0.20 -2.63 2.25 3.38 -1.14 -2.98 115.31 114.40 3hcu h LEU 112 Ca -0.00 -0.79 0.01 0.00 0.09 0.00 0.00 57.88 57.19 3hcu h LEU 112 Cb 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hcu h LEU 112 CO 0.00 1.45 0.06 0.28 0.09 0.00 0.00 178.44 180.32 3hcu h SER 113 N -0.65 0.00 -0.69 -0.43 0.02 -1.14 -3.38 113.55 107.28 3hcu h SER 113 Ca -0.25 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.77 3hcu h SER 113 Cb 1.47 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.82 3hcu h SER 113 CO -0.03 0.00 -0.26 0.00 -1.14 0.00 0.00 176.83 175.40 3hcu s ALA 114 N -4.38 -3.13 0.45 3.77 0.00 -0.31 -4.81 121.76 113.36 3hcu s ALA 114 Ca -0.05 0.97 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 3hcu s ALA 114 Cb 0.14 -2.74 -0.10 0.00 0.00 0.00 0.00 23.12 20.42 3hcu s ALA 114 CO 0.46 -2.09 0.96 -2.30 0.00 0.00 0.00 175.76 172.80 3hcu n PRO 115 N 4.84 1.22 -3.76 0.00 -0.02 -1.12 -4.51 135.00 131.65 3hcu n PRO 115 Ca 0.08 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 3hcu n PRO 115 Cb 0.57 -2.02 -0.09 0.00 -0.02 0.00 0.00 33.50 31.93 3hcu n PRO 115 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3hcu s ASN 116 N -0.83 5.38 0.00 2.55 0.01 -1.26 -5.00 114.94 115.79 3hcu s ASN 116 Ca 0.65 -3.60 0.00 0.00 -0.71 0.00 0.00 52.86 49.20 3hcu s ASN 116 Cb -0.53 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 39.34 3hcu s ASN 116 CO 0.55 -0.18 0.09 -2.65 -1.51 0.00 0.00 177.10 173.41 3hcu n PRO 117 N 2.42 0.00 0.00 -0.60 -0.02 -1.26 -4.26 135.00 131.28 3hcu n PRO 117 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3hcu n PRO 117 Cb 0.36 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3hcu n PRO 117 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hcu n ASP 118 N 1.99 0.00 -0.30 2.55 10.43 -1.26 -4.92 116.55 125.04 3hcu n ASP 118 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3hcu n ASP 118 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3hcu n ASP 118 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3hcu n ASP 119 N 0.00 0.00 0.00 -2.24 5.75 -1.26 -4.91 116.55 113.89 3hcu n ASP 119 Ca 0.00 -0.75 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 3hcu n ASP 119 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3hcu n ASP 119 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3hcu n PRO 120 N 0.00 3.23 -3.52 0.11 -0.02 -1.26 -4.10 135.00 129.44 3hcu n PRO 120 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 3hcu n PRO 120 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.80 3hcu n PRO 120 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3hcu s LEU 121 N 0.00 -0.65 -0.53 2.45 0.05 -1.26 -4.94 118.68 113.80 3hcu s LEU 121 Ca 0.00 0.68 -0.27 0.00 0.05 0.00 0.00 54.13 54.59 3hcu s LEU 121 Cb 0.00 2.53 -0.02 0.00 -2.05 0.00 0.00 46.19 46.65 3hcu s LEU 121 CO 0.00 -0.63 1.86 0.00 -0.55 0.00 0.00 176.35 177.04 3hcu s ALA 122 N -1.33 2.33 0.00 1.48 0.00 -0.78 -4.91 121.76 118.56 3hcu s ALA 122 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3hcu s ALA 122 Cb -0.00 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.89 3hcu s ALA 122 CO 0.09 -3.58 0.00 0.09 0.00 0.00 0.00 175.76 172.36 3hcu n ASN 123 N 12.23 0.00 0.00 0.00 4.13 -1.26 -2.62 115.26 127.73 3hcu n ASN 123 Ca 0.22 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.48 3hcu n ASN 123 Cb 0.51 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 3hcu n ASN 123 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3hcu n ASP 124 N 0.00 0.00 -0.15 6.41 4.64 -1.26 -1.92 116.55 124.26 3hcu n ASP 124 Ca 0.00 0.00 0.08 0.00 -1.38 0.00 0.00 54.79 53.49 3hcu n ASP 124 Cb 0.00 0.00 0.15 0.00 -1.04 0.00 0.00 41.12 40.23 3hcu n ASP 124 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3hcu n VAL 125 N 0.00 -0.19 -0.33 5.18 0.31 -1.25 -0.90 118.33 121.15 3hcu n VAL 125 Ca 0.00 0.97 -0.01 0.00 -0.01 0.00 0.00 64.34 65.29 3hcu n VAL 125 Cb 0.00 -1.44 0.03 0.00 -0.91 0.00 0.00 33.84 31.52 3hcu n VAL 125 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hcu n ALA 126 N -3.32 -0.12 0.11 3.52 0.00 -0.81 -0.50 120.51 119.39 3hcu n ALA 126 Ca 0.12 0.86 -0.19 0.00 0.00 0.00 0.00 53.44 54.22 3hcu n ALA 126 Cb 0.38 -0.38 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3hcu n ALA 126 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hcu h GLU 127 N 0.00 0.36 -0.04 0.00 4.81 -1.00 -3.27 114.58 115.45 3hcu h GLU 127 Ca 0.30 -0.62 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3hcu h GLU 127 Cb 0.51 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3hcu h GLU 127 CO -0.86 1.28 0.03 1.96 -0.73 0.00 0.00 179.01 180.69 3hcu h GLN 128 N 0.10 0.00 0.00 1.92 1.08 -1.08 0.68 115.11 117.81 3hcu h GLN 128 Ca -0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 3hcu h GLN 128 Cb 2.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.48 3hcu h GLN 128 CO 0.22 0.00 0.00 2.35 -0.95 0.00 0.00 178.83 180.45 3hcu h TRP 129 N 0.00 0.00 0.00 2.96 2.91 -0.84 -2.70 115.95 118.28 3hcu h TRP 129 Ca 0.02 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 3hcu h TRP 129 Cb 0.07 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 3hcu h TRP 129 CO 0.00 0.00 -0.53 0.87 -1.03 0.00 0.00 178.44 177.75 3hcu h LYS 130 N 0.00 0.00 0.00 2.65 1.57 0.27 -3.33 116.57 117.73 3hcu h LYS 130 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hcu h LYS 130 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3hcu h LYS 130 CO 0.00 0.60 0.00 0.25 -0.57 0.00 0.00 179.45 179.73 3hcu n THR 131 N -4.58 0.00 -2.29 -0.16 -2.24 -0.53 -4.33 114.28 100.15 3hcu n THR 131 Ca -0.15 0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 61.89 3hcu n THR 131 Cb 0.41 -1.46 0.01 0.00 -2.10 0.00 0.00 70.33 67.18 3hcu n THR 131 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hcu n ASN 132 N -1.57 7.52 0.08 3.42 5.03 -1.02 -4.77 115.26 123.95 3hcu n ASN 132 Ca 0.00 -3.34 0.20 0.00 0.87 0.00 0.00 54.58 52.31 3hcu n ASN 132 Cb 0.00 -1.30 0.74 0.00 -1.02 0.00 0.00 39.78 38.20 3hcu n ASN 132 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 3hcu h GLU 133 N 4.60 0.00 -0.18 3.52 4.81 -1.67 0.20 114.58 125.86 3hcu h GLU 133 Ca 0.60 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.72 3hcu h GLU 133 Cb 0.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hcu h GLU 133 CO 1.38 0.00 -0.31 0.00 -0.73 0.00 0.00 179.01 179.35 3hcu h ALA 134 N 1.64 0.28 -0.29 2.92 0.00 -1.90 -2.36 119.26 119.55 3hcu h ALA 134 Ca 0.20 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3hcu h ALA 134 Cb 0.95 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3hcu h ALA 134 CO -0.00 0.31 0.03 0.37 0.00 0.00 0.00 179.25 179.96 3hcu h GLN 135 N 0.18 0.49 -0.76 0.00 4.15 -1.24 -2.33 115.11 115.61 3hcu h GLN 135 Ca 0.01 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.35 3hcu h GLN 135 Cb 0.90 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.48 3hcu h GLN 135 CO 0.07 0.61 0.46 0.00 -1.93 0.00 0.00 178.83 178.04 3hcu h ALA 136 N 0.86 1.02 -0.49 3.38 0.00 -0.74 -1.89 119.26 121.39 3hcu h ALA 136 Ca 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hcu h ALA 136 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hcu h ALA 136 CO 0.01 0.18 0.06 0.82 0.00 0.00 0.00 179.25 180.32 3hcu h ILE 137 N 0.85 1.25 -0.40 0.00 2.04 -1.27 -1.61 117.51 118.37 3hcu h ILE 137 Ca 0.33 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 3hcu h ILE 137 Cb 0.14 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3hcu h ILE 137 CO -0.16 0.34 -0.07 -0.08 0.00 0.00 0.00 178.15 178.18 3hcu h GLU 138 N 0.70 0.68 -0.48 2.37 4.81 -1.10 -0.72 114.58 120.83 3hcu h GLU 138 Ca 0.15 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 3hcu h GLU 138 Cb 0.42 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3hcu h GLU 138 CO 0.01 0.75 0.06 1.15 -0.73 0.00 0.00 179.01 180.26 3hcu h THR 139 N 0.63 1.23 -0.20 0.32 2.02 -1.14 -0.03 112.91 115.75 3hcu h THR 139 Ca 0.12 -0.87 -0.17 0.00 0.77 0.00 0.00 66.41 66.26 3hcu h THR 139 Cb 0.50 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3hcu h THR 139 CO 0.03 0.31 -0.56 0.00 0.37 0.00 0.00 175.52 175.67 3hcu h ALA 140 N 1.34 0.64 -0.49 6.16 0.00 -0.57 -0.57 119.26 125.78 3hcu h ALA 140 Ca 0.15 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3hcu h ALA 140 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hcu h ALA 140 CO 0.01 0.69 -0.07 0.00 0.00 0.00 0.00 179.25 179.88 3hcu h ARG 141 N 0.46 0.91 -0.22 0.00 3.08 -0.86 -0.47 114.38 117.28 3hcu h ARG 141 Ca 0.01 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 3hcu h ARG 141 Cb 1.12 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3hcu h ARG 141 CO 0.11 0.98 0.13 0.00 -1.07 0.00 0.00 179.97 180.12 3hcu h ALA 142 N 0.91 0.29 -0.21 0.04 0.00 -0.79 -1.63 119.26 117.87 3hcu h ALA 142 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hcu h ALA 142 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hcu h ALA 142 CO 0.04 -0.20 -0.11 -1.49 0.00 0.00 0.00 179.25 177.49 3hcu h TRP 143 N 0.27 0.36 -0.58 0.00 4.06 -0.89 -0.25 115.95 118.92 3hcu h TRP 143 Ca 0.08 -0.04 -0.09 0.00 2.06 0.00 0.00 58.89 60.90 3hcu h TRP 143 Cb 0.04 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 3hcu h TRP 143 CO -0.04 0.45 0.02 1.15 -3.56 0.00 0.00 178.44 176.46 3hcu h THR 144 N 0.32 1.26 -0.18 1.49 2.02 -0.58 0.14 112.91 117.39 3hcu h THR 144 Ca 0.06 -1.10 -0.15 0.00 0.77 0.00 0.00 66.41 66.00 3hcu h THR 144 Cb 0.40 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3hcu h THR 144 CO 0.02 0.40 -0.50 0.03 0.37 0.00 0.00 175.52 175.83 3hcu h ARG 145 N 0.89 0.48 -0.02 6.66 3.08 -0.80 -1.18 114.38 123.49 3hcu h ARG 145 Ca 0.17 -0.28 -0.24 0.00 0.07 0.00 0.00 59.98 59.70 3hcu h ARG 145 Cb 0.52 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.60 3hcu h ARG 145 CO 0.03 0.88 -0.94 1.25 -1.07 0.00 0.00 179.97 180.11 3hcu h LEU 146 N 0.38 0.71 0.00 3.04 6.46 -0.80 -3.38 115.31 121.71 3hcu h LEU 146 Ca 0.02 -0.54 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 3hcu h LEU 146 Cb 1.02 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3hcu h LEU 146 CO 0.09 1.34 -1.01 -1.22 -0.62 0.00 0.00 178.44 177.02 3hcu n TYR 147 N -3.81 0.00 -2.21 1.25 4.01 0.46 -4.79 117.16 112.07 3hcu n TYR 147 Ca -0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.57 3hcu n TYR 147 Cb 0.83 -0.10 0.06 0.00 -0.31 0.00 0.00 39.34 39.82 3hcu n TYR 147 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hcu n ALA 148 N -1.56 3.86 -0.41 -0.72 0.00 -0.45 -4.72 120.51 116.50 3hcu n ALA 148 Ca -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.16 3hcu n ALA 148 Cb 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3hcu n ALA 148 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hcu n MET 149 N -0.63 1.06 -0.42 0.00 2.81 -1.22 -0.17 117.12 118.55 3hcu n MET 149 Ca 0.26 -0.85 0.07 0.00 -1.81 0.00 0.00 57.70 55.37 3hcu n MET 149 Cb 0.89 -0.79 0.16 0.00 -0.71 0.00 0.00 33.22 32.77 3hcu n MET 149 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3hcu n ASN 150 N -0.21 1.87 -2.31 7.83 6.94 -1.26 -5.01 115.26 123.12 3hcu n ASN 150 Ca 0.00 -3.42 0.00 0.00 -0.02 0.00 0.00 54.58 51.14 3hcu n ASN 150 Cb 0.28 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 3hcu n ASN 150 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3hcu n ASN 151 N -1.13 0.00 0.00 0.53 6.94 -1.26 -5.16 115.26 115.17 3hcu n ASN 151 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 3hcu n ASN 151 Cb 0.69 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.11 3hcu n ASN 151 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85