#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcu s ASP 4 N 0.00 5.54 0.00 9.51 -4.77 -1.26 -4.93 116.67 120.75 2dcu s ASP 4 Ca 0.00 2.30 0.13 0.00 -3.30 0.00 0.00 52.55 51.68 2dcu s ASP 4 Cb 0.00 -2.59 0.75 0.00 -1.09 0.00 0.00 42.92 39.99 2dcu s ASP 4 CO 0.00 -1.35 1.27 -1.22 0.70 0.00 0.00 175.17 174.56 2dcu n TYR 5 N -1.32 0.00 0.85 2.11 4.02 -1.26 -2.86 117.16 118.70 2dcu n TYR 5 Ca 0.12 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.11 2dcu n TYR 5 Cb 0.50 -0.10 0.04 0.00 -0.02 0.00 0.00 39.34 39.76 2dcu n TYR 5 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2dcu n TYR 6 N -1.10 0.00 -2.84 -0.72 4.01 -1.26 -4.61 117.16 110.64 2dcu n TYR 6 Ca 0.09 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.40 2dcu n TYR 6 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 2dcu n TYR 6 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2dcu n ASP 7 N 0.51 6.46 -0.33 7.72 2.03 -1.13 -4.86 116.55 126.95 2dcu n ASP 7 Ca 0.10 -3.41 0.27 0.00 0.52 0.00 0.00 54.79 52.26 2dcu n ASP 7 Cb 0.45 -1.28 0.51 0.00 -0.72 0.00 0.00 41.12 40.08 2dcu n ASP 7 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2dcu h TYR 8 N 5.26 0.61 0.09 -0.67 5.03 -1.86 -2.26 116.97 123.18 2dcu h TYR 8 Ca 0.28 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.64 2dcu h TYR 8 Cb 0.56 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 2dcu h TYR 8 CO 1.11 -0.45 -0.16 0.93 -1.32 0.00 0.00 178.16 178.27 2dcu h GLU 9 N 0.02 -0.26 -0.67 1.82 4.39 -1.99 0.56 114.58 118.45 2dcu h GLU 9 Ca 0.78 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.63 2dcu h GLU 9 Cb 1.96 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 30.57 2dcu h GLU 9 CO -0.80 -0.17 0.17 0.87 -1.16 0.00 0.00 179.01 177.92 2dcu h LYS 10 N -0.26 0.28 -0.86 2.33 1.57 -1.84 0.51 116.57 118.30 2dcu h LYS 10 Ca -0.01 -0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.93 2dcu h LYS 10 Cb 0.25 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 2dcu h LYS 10 CO -0.05 0.19 0.57 -0.07 -0.57 0.00 0.00 179.45 179.51 2dcu h LEU 11 N 0.29 0.46 -0.10 2.94 3.38 -0.95 0.45 115.31 121.78 2dcu h LEU 11 Ca 0.37 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 2dcu h LEU 11 Cb 0.58 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dcu h LEU 11 CO -0.44 0.21 -0.09 0.25 0.09 0.00 0.00 178.44 178.45 2dcu h LEU 12 N 0.47 0.25 -1.11 1.67 5.85 0.52 -1.65 115.31 121.31 2dcu h LEU 12 Ca 0.44 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 2dcu h LEU 12 Cb 0.99 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2dcu h LEU 12 CO -0.17 0.67 -0.37 -0.08 -0.34 0.00 0.00 178.44 178.15 2dcu h GLU 13 N -0.17 0.00 -0.08 1.25 4.81 -0.37 -1.20 114.58 118.82 2dcu h GLU 13 Ca 0.02 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2dcu h GLU 13 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2dcu h GLU 13 CO 0.02 0.37 -0.39 -0.22 -0.73 0.00 0.00 179.01 178.06 2dcu h LYS 14 N 0.00 0.17 0.00 1.92 3.64 -0.05 -2.88 116.57 119.36 2dcu h LYS 14 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2dcu h LYS 14 Cb 0.80 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2dcu h LYS 14 CO 0.05 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 2dcu n ALA 15 N -2.47 2.05 0.63 5.00 0.00 -0.48 -3.38 120.51 121.85 2dcu n ALA 15 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.44 2dcu n ALA 15 Cb 0.45 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.52 2dcu n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dcu n TYR 16 N -1.70 0.00 0.00 0.00 4.01 -1.05 -3.44 117.16 114.98 2dcu n TYR 16 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 2dcu n TYR 16 Cb 0.29 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.18 2dcu n TYR 16 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2dcu h GLN 17 N 1.80 0.08 -0.01 -0.72 4.15 -1.56 -3.18 115.11 115.67 2dcu h GLN 17 Ca 0.00 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 2dcu h GLN 17 Cb 0.51 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2dcu h GLN 17 CO 0.00 0.75 -0.76 0.93 -1.93 0.00 0.00 178.83 177.81 2dcu h GLU 18 N 0.02 0.11 -6.40 1.69 5.08 -1.74 -3.42 114.58 109.91 2dcu h GLU 18 Ca -0.28 -0.10 -0.58 0.00 -1.00 0.00 0.00 59.36 57.39 2dcu h GLU 18 Cb 2.00 0.03 0.04 0.00 0.50 0.00 0.00 28.75 31.31 2dcu h GLU 18 CO 0.10 0.82 1.01 1.28 -1.00 0.00 0.00 179.01 181.21 2dcu n LEU 19 N -3.70 3.49 -3.38 1.33 7.99 -1.20 -4.90 117.00 116.64 2dcu n LEU 19 Ca -0.02 1.01 -0.13 0.00 -0.01 0.00 0.00 56.01 56.86 2dcu n LEU 19 Cb 0.73 -1.43 0.01 0.00 -0.11 0.00 0.00 43.42 42.62 2dcu n LEU 19 CO 0.45 -0.07 -0.72 -2.65 -1.51 0.00 0.00 177.39 172.89 2dcu n PRO 20 N 5.45 0.00 0.00 3.23 -0.02 -1.26 -4.42 135.00 137.98 2dcu n PRO 20 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2dcu n PRO 20 Cb 0.31 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 2dcu n PRO 20 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2dcu n GLU 21 N 1.92 0.00 -0.34 -0.52 -0.58 -1.26 -0.43 120.64 119.44 2dcu n GLU 21 Ca -0.01 0.36 0.27 0.00 -0.42 0.00 0.00 57.16 57.37 2dcu n GLU 21 Cb 0.25 -0.85 0.43 0.00 -0.57 0.00 0.00 31.44 30.70 2dcu n GLU 21 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2dcu n ASN 22 N -1.82 0.07 -0.09 1.62 6.94 -1.26 0.37 115.26 121.09 2dcu n ASN 22 Ca 0.00 0.72 -0.12 0.00 -0.02 0.00 0.00 54.58 55.16 2dcu n ASN 22 Cb 0.00 -0.36 -0.11 0.00 -2.36 0.00 0.00 39.78 36.96 2dcu n ASN 22 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 2dcu n VAL 23 N -3.56 1.15 0.42 3.53 3.14 -1.26 -3.64 118.33 118.11 2dcu n VAL 23 Ca 0.25 -0.53 -0.19 0.00 -2.96 0.00 0.00 64.34 60.91 2dcu n VAL 23 Cb 1.03 -0.99 -0.09 0.00 -1.06 0.00 0.00 33.84 32.73 2dcu n VAL 23 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 2dcu h LYS 24 N 0.00 -1.12 -5.69 1.45 3.64 0.27 -3.47 116.57 111.65 2dcu h LYS 24 Ca -0.45 0.08 -0.61 0.00 -1.27 0.00 0.00 60.65 58.39 2dcu h LYS 24 Cb 1.81 0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 33.80 2dcu h LYS 24 CO -0.04 -0.74 -0.39 -3.38 -2.27 0.00 0.00 179.45 172.63 2dcu s HIS 25 N -5.74 1.79 0.00 1.91 -3.43 -1.06 -5.06 115.29 103.70 2dcu s HIS 25 Ca -0.18 -0.86 0.00 0.00 -0.80 0.00 0.00 55.06 53.22 2dcu s HIS 25 Cb 0.03 -1.82 0.00 0.00 -1.43 0.00 0.00 32.58 29.36 2dcu s HIS 25 CO 0.56 -0.19 0.10 0.72 -2.00 0.00 0.00 174.74 173.93 2dcu n HIS 26 N -1.56 0.00 -2.18 0.38 8.25 -1.26 -3.96 115.22 114.88 2dcu n HIS 26 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 2dcu n HIS 26 Cb 0.65 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.70 2dcu n HIS 26 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2dcu s LYS 27 N -1.96 3.68 -0.30 -0.41 2.47 -1.26 -4.97 119.74 116.99 2dcu s LYS 27 Ca 0.00 1.41 0.02 0.00 -1.56 0.00 0.00 55.97 55.84 2dcu s LYS 27 Cb 0.00 -4.04 0.07 0.00 -1.46 0.00 0.00 37.83 32.40 2dcu s LYS 27 CO 0.00 -1.43 -0.02 -1.12 0.16 0.00 0.00 175.35 172.94 2dcu s SER 28 N 4.31 4.67 0.11 1.43 0.01 -1.25 -4.58 113.70 118.40 2dcu s SER 28 Ca 0.69 -1.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.00 2dcu s SER 28 Cb -0.21 -1.62 -0.06 0.00 0.21 0.00 0.00 66.02 64.34 2dcu s SER 28 CO 0.30 -0.28 1.06 -0.60 0.41 0.00 0.00 173.24 174.13 2dcu s ARG 29 N 1.07 4.59 0.00 12.44 3.52 -1.24 -4.86 118.95 134.47 2dcu s ARG 29 Ca -0.01 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 2dcu s ARG 29 Cb -0.20 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 2dcu s ARG 29 CO -0.05 0.03 0.06 1.97 -0.81 0.00 0.00 175.30 176.50 2dcu n PHE 30 N 2.97 0.00 1.57 5.12 1.16 -1.26 -4.22 117.46 122.80 2dcu n PHE 30 Ca 0.04 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.65 2dcu n PHE 30 Cb 0.48 0.00 0.17 0.00 -1.61 0.00 0.00 39.48 38.52 2dcu n PHE 30 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2dcu n GLU 31 N -0.84 0.79 -2.57 3.97 1.02 -1.26 -4.79 120.64 116.95 2dcu n GLU 31 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2dcu n GLU 31 Cb 0.00 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2dcu n GLU 31 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2dcu s VAL 32 N -2.00 4.08 0.14 2.62 -7.23 -1.26 -4.88 120.40 111.87 2dcu s VAL 32 Ca 0.09 1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 60.99 2dcu s VAL 32 Cb 0.04 -4.64 -0.07 0.00 0.56 0.00 0.00 36.38 32.27 2dcu s VAL 32 CO 0.07 -1.17 0.97 -2.16 -0.31 0.00 0.00 175.10 172.49 2dcu s PRO 33 N 4.77 4.72 1.03 4.82 0.04 -1.26 -5.01 135.00 144.11 2dcu s PRO 33 Ca 0.46 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 2dcu s PRO 33 Cb -0.08 -3.35 0.11 0.00 0.04 0.00 0.00 34.50 31.22 2dcu s PRO 33 CO 0.29 0.26 0.49 0.41 0.04 0.00 0.00 177.00 178.48 2dcu n GLY 34 N 2.09 -1.91 3.77 0.56 0.00 -1.26 -4.78 105.19 103.67 2dcu n GLY 34 Ca 0.02 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2dcu n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcu s ALA 35 N -2.39 3.56 -0.32 4.61 0.00 -1.26 -5.00 121.76 120.96 2dcu s ALA 35 Ca 0.60 1.47 0.03 0.00 0.00 0.00 0.00 51.96 54.06 2dcu s ALA 35 Cb -0.19 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.45 2dcu s ALA 35 CO 0.65 -0.91 0.02 -1.17 0.00 0.00 0.00 175.76 174.35 2dcu s LEU 36 N -1.89 4.47 -0.11 0.00 0.20 -1.26 -5.10 118.68 114.99 2dcu s LEU 36 Ca 0.52 -1.95 -0.00 0.00 0.69 0.00 0.00 54.13 53.39 2dcu s LEU 36 Cb -0.44 -1.63 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 2dcu s LEU 36 CO 0.59 -0.34 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.52 2dcu s VAL 37 N 0.97 3.37 -0.19 1.68 1.01 -1.26 -3.29 120.40 122.70 2dcu s VAL 37 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2dcu s VAL 37 Cb -0.19 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.82 2dcu s VAL 37 CO -0.07 0.54 -0.08 -0.89 0.00 0.00 0.00 175.10 174.60 2dcu s THR 38 N -0.04 1.42 -0.51 3.92 2.01 0.12 -4.97 115.64 117.59 2dcu s THR 38 Ca -0.01 -0.85 -0.16 0.00 0.31 0.00 0.00 61.69 60.97 2dcu s THR 38 Cb -0.14 -1.54 0.10 0.00 0.01 0.00 0.00 72.50 70.93 2dcu s THR 38 CO 0.03 0.15 0.45 -0.63 -0.69 0.00 0.00 174.62 173.93 2dcu s ILE 39 N 1.49 5.21 -0.15 1.82 1.01 -1.26 0.19 121.20 129.51 2dcu s ILE 39 Ca -0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 60.65 59.30 2dcu s ILE 39 Cb -0.16 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2dcu s ILE 39 CO -0.08 -0.73 0.03 -0.70 0.00 0.00 0.00 174.94 173.47 2dcu s GLU 40 N 1.62 3.64 3.78 2.79 2.12 0.13 -4.92 118.70 127.86 2dcu s GLU 40 Ca 0.04 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.99 2dcu s GLU 40 Cb -0.27 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2dcu s GLU 40 CO 0.05 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 2dcu n GLY 41 N 3.07 2.05 2.21 -1.50 0.00 -1.26 -0.44 105.19 109.33 2dcu n GLY 41 Ca -0.17 0.42 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2dcu n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dcu n ASN 42 N 7.92 4.46 -3.79 1.61 5.03 -1.26 -5.02 115.26 124.21 2dcu n ASN 42 Ca 0.00 -3.55 -0.13 0.00 0.87 0.00 0.00 54.58 51.78 2dcu n ASN 42 Cb 0.00 -0.38 -0.11 0.00 -1.02 0.00 0.00 39.78 38.27 2dcu n ASN 42 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2dcu s LYS 43 N -3.59 0.38 -0.17 3.52 -2.85 0.42 -4.00 119.74 113.44 2dcu s LYS 43 Ca 0.47 0.19 -0.09 0.00 -1.00 0.00 0.00 55.97 55.54 2dcu s LYS 43 Cb 0.40 0.18 -0.05 0.00 -2.06 0.00 0.00 37.83 36.30 2dcu s LYS 43 CO -0.01 -0.07 0.14 0.99 0.10 0.00 0.00 175.35 176.49 2dcu s THR 44 N -0.26 5.44 -0.10 3.79 2.01 0.70 -0.69 115.64 126.53 2dcu s THR 44 Ca -0.04 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 2dcu s THR 44 Cb -0.03 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 69.06 2dcu s THR 44 CO 0.01 0.50 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.89 2dcu s ILE 45 N -0.10 0.74 -0.54 1.82 2.07 0.13 0.88 121.20 126.21 2dcu s ILE 45 Ca 0.10 -0.15 -0.13 0.00 -1.41 0.00 0.00 60.65 59.06 2dcu s ILE 45 Cb -0.11 -0.85 0.13 0.00 0.13 0.00 0.00 42.46 41.76 2dcu s ILE 45 CO 0.00 0.28 0.46 0.27 -1.91 0.00 0.00 174.94 174.05 2dcu s ILE 46 N 1.82 4.88 -0.89 2.00 -4.36 -0.94 -0.71 121.20 123.01 2dcu s ILE 46 Ca 0.04 -1.67 0.09 0.00 -0.26 0.00 0.00 60.65 58.85 2dcu s ILE 46 Cb -0.13 -4.15 0.45 0.00 1.25 0.00 0.00 42.46 39.88 2dcu s ILE 46 CO -0.07 -0.85 1.23 -1.84 0.24 0.00 0.00 174.94 173.65 2dcu n GLU 47 N 5.04 2.95 0.00 0.37 0.28 -1.21 -1.57 120.64 126.49 2dcu n GLU 47 Ca -0.10 -1.73 0.04 0.00 -0.16 0.00 0.00 57.16 55.20 2dcu n GLU 47 Cb 0.41 -1.80 0.03 0.00 1.43 0.00 0.00 31.44 31.50 2dcu n GLU 47 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2dcu n ASN 48 N 0.44 1.55 -0.10 -1.84 5.15 -1.26 -4.60 115.26 114.60 2dcu n ASN 48 Ca 0.15 -1.28 -0.03 0.00 -0.60 0.00 0.00 54.58 52.83 2dcu n ASN 48 Cb 0.69 0.03 -0.02 0.00 -0.53 0.00 0.00 39.78 39.95 2dcu n ASN 48 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2dcu n PHE 49 N 0.35 -0.11 -0.36 1.20 7.35 -1.23 -1.31 117.46 123.35 2dcu n PHE 49 Ca 0.04 0.31 0.05 0.00 -0.76 0.00 0.00 57.45 57.09 2dcu n PHE 49 Cb 0.17 -0.49 0.13 0.00 0.35 0.00 0.00 39.48 39.64 2dcu n PHE 49 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2dcu n LYS 50 N -3.51 -0.11 -0.18 -4.13 2.85 -1.23 0.97 118.16 112.81 2dcu n LYS 50 Ca 0.00 1.55 -0.00 0.00 -1.05 0.00 0.00 58.31 58.81 2dcu n LYS 50 Cb 0.06 -2.31 0.09 0.00 -0.65 0.00 0.00 35.03 32.22 2dcu n LYS 50 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2dcu h ASP 51 N 0.00 -0.20 0.47 -5.58 5.19 -1.51 0.40 116.42 115.20 2dcu h ASP 51 Ca 0.46 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.98 2dcu h ASP 51 Cb 0.71 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.45 2dcu h ASP 51 CO -1.02 -0.08 -0.25 0.40 -3.12 0.00 0.00 179.24 175.17 2dcu h ILE 52 N 0.14 0.00 -0.19 0.35 5.03 0.91 -0.66 117.51 123.08 2dcu h ILE 52 Ca 0.29 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 65.09 2dcu h ILE 52 Cb 0.46 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.18 2dcu h ILE 52 CO -0.46 0.00 -0.38 0.00 -0.68 0.00 0.00 178.15 176.63 2dcu h ALA 53 N -1.62 -0.45 0.00 1.87 0.00 -1.04 0.18 119.26 118.21 2dcu h ALA 53 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dcu h ALA 53 Cb 0.52 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dcu h ALA 53 CO 0.09 -0.85 0.05 -0.44 0.00 0.00 0.00 179.25 178.11 2dcu h ASP 54 N -0.41 0.00 0.43 0.00 5.19 -0.23 0.58 116.42 121.98 2dcu h ASP 54 Ca 0.10 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.21 2dcu h ASP 54 Cb 0.58 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.04 2dcu h ASP 54 CO -0.42 0.00 -1.79 0.00 -3.12 0.00 0.00 179.24 173.91 2dcu n ALA 55 N -1.90 1.51 1.30 3.45 0.00 0.22 -3.74 120.51 121.34 2dcu n ALA 55 Ca -0.02 -0.83 0.13 0.00 0.00 0.00 0.00 53.44 52.72 2dcu n ALA 55 Cb 0.10 -0.77 0.46 0.00 0.00 0.00 0.00 19.45 19.25 2dcu n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dcu n LEU 56 N -3.00 0.84 -3.74 0.00 4.77 0.45 -4.82 117.00 111.50 2dcu n LEU 56 Ca -0.19 -0.17 -0.28 0.00 -0.03 0.00 0.00 56.01 55.34 2dcu n LEU 56 Cb 1.06 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 42.04 2dcu n LEU 56 CO 0.45 0.16 0.13 -3.20 -1.33 0.00 0.00 177.39 173.59 2dcu n ASN 57 N -0.74 -5.26 -4.47 -1.43 5.15 0.17 -4.98 115.26 103.70 2dcu n ASN 57 Ca 0.13 -0.66 -0.24 0.00 -0.60 0.00 0.00 54.58 53.21 2dcu n ASN 57 Cb 0.32 -4.19 -0.10 0.00 -0.53 0.00 0.00 39.78 35.28 2dcu n ASN 57 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2dcu s ARG 58 N -6.45 1.70 1.13 1.20 3.00 -0.87 -4.95 118.95 113.72 2dcu s ARG 58 Ca 0.61 -1.73 -0.15 0.00 0.00 0.00 0.00 55.73 54.45 2dcu s ARG 58 Cb -0.29 -1.80 0.19 0.00 0.00 0.00 0.00 34.95 33.05 2dcu s ARG 58 CO 0.75 0.34 0.56 -0.25 0.00 0.00 0.00 175.30 176.70 2dcu n ASP 59 N -0.56 -1.94 -0.04 0.23 9.92 -1.26 -4.37 116.55 118.53 2dcu n ASP 59 Ca -0.06 -0.09 -0.18 0.00 -0.53 0.00 0.00 54.79 53.93 2dcu n ASP 59 Cb 0.60 -1.14 -0.13 0.00 -0.64 0.00 0.00 41.12 39.80 2dcu n ASP 59 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 2dcu h PRO 60 N -2.34 0.10 0.00 -0.24 0.11 -1.99 -3.36 132.00 124.29 2dcu h PRO 60 Ca -0.57 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.37 2dcu h PRO 60 Cb 1.34 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2dcu h PRO 60 CO 0.43 1.08 0.00 1.04 -0.21 0.00 0.00 178.00 180.34 2dcu n GLN 61 N -4.35 0.14 0.19 1.05 6.02 -1.26 -2.70 117.38 116.47 2dcu n GLN 61 Ca -0.19 0.13 0.06 0.00 -0.01 0.00 0.00 57.00 56.99 2dcu n GLN 61 Cb 0.67 -1.67 0.35 0.00 1.02 0.00 0.00 30.24 30.61 2dcu n GLN 61 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2dcu h HIS 62 N 0.00 0.00 0.11 1.08 2.76 -1.95 -2.74 115.15 114.42 2dcu h HIS 62 Ca 0.00 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.81 2dcu h HIS 62 Cb 0.60 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 2dcu h HIS 62 CO 0.00 0.37 -2.00 -0.11 -1.30 0.00 0.00 177.93 174.89 2dcu n LEU 63 N -3.58 2.55 -0.34 0.26 0.00 -1.15 -2.98 117.00 111.75 2dcu n LEU 63 Ca -0.00 0.21 0.14 0.00 0.00 0.00 0.00 56.01 56.36 2dcu n LEU 63 Cb 0.49 -1.04 0.34 0.00 0.00 0.00 0.00 43.42 43.21 2dcu n LEU 63 CO 0.37 0.83 1.15 0.25 0.00 0.00 0.00 177.39 179.99 2dcu h LEU 64 N 0.07 0.66 0.28 -1.96 7.12 -1.48 -1.83 115.31 118.17 2dcu h LEU 64 Ca -0.42 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.69 2dcu h LEU 64 Cb 2.03 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 42.18 2dcu h LEU 64 CO 0.08 0.17 -0.13 0.11 -0.13 0.00 0.00 178.44 178.53 2dcu h LYS 65 N 0.63 -0.36 -1.26 1.25 1.79 -1.60 -2.65 116.57 114.37 2dcu h LYS 65 Ca 0.59 0.02 0.36 0.00 -2.18 0.00 0.00 60.65 59.45 2dcu h LYS 65 Cb 1.02 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.69 2dcu h LYS 65 CO -0.44 -0.01 0.88 0.35 -1.08 0.00 0.00 179.45 179.15 2dcu h PHE 66 N -0.85 0.17 0.07 -1.35 3.57 -1.26 -0.46 116.94 116.84 2dcu h PHE 66 Ca -0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2dcu h PHE 66 Cb 0.51 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2dcu h PHE 66 CO 0.04 -0.01 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.01 2dcu h LEU 67 N 0.08 -0.08 -0.38 0.59 3.38 -1.33 -2.19 115.31 115.37 2dcu h LEU 67 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2dcu h LEU 67 Cb 2.32 0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.10 2dcu h LEU 67 CO -0.10 0.01 0.46 0.18 0.09 0.00 0.00 178.44 179.09 2dcu n LEU 68 N -2.68 0.15 -0.03 1.67 4.77 -0.81 0.13 117.00 120.20 2dcu n LEU 68 Ca -0.01 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.32 2dcu n LEU 68 Cb 0.04 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2dcu n LEU 68 CO 0.03 -0.41 -0.06 -0.09 -1.33 0.00 0.00 177.39 175.52 2dcu h ARG 69 N 0.00 0.00 0.00 3.23 2.43 -1.08 -3.35 114.38 115.61 2dcu h ARG 69 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2dcu h ARG 69 Cb 0.92 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2dcu h ARG 69 CO 0.00 0.00 -0.00 0.93 -1.51 0.00 0.00 179.97 179.39 2dcu h GLU 70 N -0.52 0.00 -6.03 0.20 4.39 0.14 -3.41 114.58 109.35 2dcu h GLU 70 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 2dcu h GLU 70 Cb 0.09 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.62 2dcu h GLU 70 CO 0.00 0.00 -0.66 0.42 -1.16 0.00 0.00 179.01 177.61 2dcu s ILE 71 N -4.28 2.54 -0.62 3.13 1.01 0.34 -5.08 121.20 118.23 2dcu s ILE 71 Ca -0.05 -2.10 0.05 0.00 0.00 0.00 0.00 60.65 58.55 2dcu s ILE 71 Cb 0.14 -2.68 0.29 0.00 0.01 0.00 0.00 42.46 40.22 2dcu s ILE 71 CO 0.45 -0.24 0.87 0.00 0.00 0.00 0.00 174.94 176.02 2dcu n ALA 72 N -0.85 4.41 -3.93 9.38 0.00 -1.26 -4.39 120.51 123.87 2dcu n ALA 72 Ca -0.05 -4.75 -0.16 0.00 0.00 0.00 0.00 53.44 48.49 2dcu n ALA 72 Cb 0.62 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 2dcu n ALA 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dcu n THR 73 N 0.32 0.00 -4.76 0.00 -2.24 -1.26 -5.04 114.28 101.30 2dcu n THR 73 Ca 0.31 -1.58 -0.24 0.00 -2.27 0.00 0.00 64.05 60.27 2dcu n THR 73 Cb 0.40 0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 69.19 2dcu n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dcu s ALA 74 N -2.83 1.37 0.08 6.98 0.00 -1.26 -4.78 121.76 121.32 2dcu s ALA 74 Ca 0.22 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2dcu s ALA 74 Cb 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2dcu s ALA 74 CO 0.15 0.30 0.26 0.20 0.00 0.00 0.00 175.76 176.68 2dcu s GLY 75 N -0.23 -0.04 0.05 0.00 0.00 -1.24 -1.45 107.32 104.41 2dcu s GLY 75 Ca 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 44.72 44.49 2dcu s GLY 75 CO 0.00 -0.53 -0.17 -1.08 0.00 0.00 0.00 173.10 171.32 2dcu s THR 76 N -3.43 1.37 0.36 0.90 -1.32 -1.15 -4.94 115.64 107.44 2dcu s THR 76 Ca 0.01 -1.12 -0.01 0.00 -1.21 0.00 0.00 61.69 59.36 2dcu s THR 76 Cb 0.02 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 2dcu s THR 76 CO -0.09 0.07 0.59 -1.48 -2.21 0.00 0.00 174.62 171.50 2dcu s LEU 77 N -1.22 3.96 -0.22 9.08 0.05 -1.26 -2.23 118.68 126.82 2dcu s LEU 77 Ca 0.04 0.56 -0.28 0.00 0.05 0.00 0.00 54.13 54.50 2dcu s LEU 77 Cb -0.08 -3.43 0.14 0.00 -2.05 0.00 0.00 46.19 40.77 2dcu s LEU 77 CO 0.02 -0.33 1.09 -0.70 -0.55 0.00 0.00 176.35 175.88 2dcu s GLU 78 N -4.30 0.45 0.00 1.48 2.56 -0.73 -4.99 118.70 113.17 2dcu s GLU 78 Ca 0.42 0.25 0.00 0.00 0.00 0.00 0.00 54.97 55.64 2dcu s GLU 78 Cb -0.10 0.22 0.00 0.00 2.00 0.00 0.00 34.13 36.25 2dcu s GLU 78 CO 0.37 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.37 2dcu n GLY 79 N 1.22 0.00 2.34 -1.50 0.00 -1.26 0.17 105.19 106.16 2dcu n GLY 79 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2dcu n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dcu n ARG 80 N -0.65 -0.87 -4.33 1.61 5.12 -1.26 -5.01 116.66 111.26 2dcu n ARG 80 Ca 0.00 0.88 -0.18 0.00 -1.93 0.00 0.00 57.85 56.62 2dcu n ARG 80 Cb 0.00 -4.92 -0.10 0.00 -1.16 0.00 0.00 32.46 26.28 2dcu n ARG 80 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2dcu s ARG 81 N -3.30 1.53 -0.09 5.56 1.70 0.45 -3.52 118.95 121.28 2dcu s ARG 81 Ca 0.00 -1.86 -0.06 0.00 -0.47 0.00 0.00 55.73 53.35 2dcu s ARG 81 Cb 0.00 -0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.26 2dcu s ARG 81 CO 0.00 -0.40 0.21 0.08 -1.08 0.00 0.00 175.30 174.12 2dcu s VAL 82 N -3.67 -0.03 -0.25 4.99 1.01 -0.61 -1.77 120.40 120.08 2dcu s VAL 82 Ca 0.36 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 2dcu s VAL 82 Cb 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2dcu s VAL 82 CO 0.16 0.04 0.13 -0.69 0.00 0.00 0.00 175.10 174.74 2dcu s VAL 83 N 0.79 4.99 -0.12 2.92 1.01 -0.95 -2.21 120.40 126.82 2dcu s VAL 83 Ca -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2dcu s VAL 83 Cb -0.07 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2dcu s VAL 83 CO -0.05 0.32 -0.03 -0.76 0.00 0.00 0.00 175.10 174.59 2dcu s LEU 84 N 1.36 3.33 0.00 3.92 1.02 0.25 -2.91 118.68 125.65 2dcu s LEU 84 Ca 0.06 -0.04 0.08 0.00 0.02 0.00 0.00 54.13 54.25 2dcu s LEU 84 Cb -0.15 -1.78 0.39 0.00 0.02 0.00 0.00 46.19 44.67 2dcu s LEU 84 CO 0.06 0.26 1.15 0.00 0.02 0.00 0.00 176.35 177.83 2dcu n GLN 85 N 2.95 0.09 0.00 1.70 1.13 -0.53 -1.10 117.38 121.63 2dcu n GLN 85 Ca -0.18 0.24 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2dcu n GLN 85 Cb 0.53 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.38 2dcu n GLN 85 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dcu n GLY 86 N -0.63 5.35 3.27 1.08 0.00 -1.26 -4.65 105.19 108.36 2dcu n GLY 86 Ca 0.03 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 2dcu n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dcu s ARG 87 N 2.57 3.19 -0.08 1.61 0.52 -1.26 -0.21 118.95 125.29 2dcu s ARG 87 Ca 0.00 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 54.39 2dcu s ARG 87 Cb 0.00 -2.50 0.04 0.00 0.52 0.00 0.00 34.95 33.02 2dcu s ARG 87 CO 0.00 0.13 0.16 -0.06 0.02 0.00 0.00 175.30 175.55 2dcu s PHE 88 N 0.52 -0.19 0.41 -0.53 0.08 -1.26 -5.01 117.98 112.00 2dcu s PHE 88 Ca -0.12 0.59 -0.26 0.00 0.12 0.00 0.00 56.93 57.26 2dcu s PHE 88 Cb -0.16 -0.18 -0.09 0.00 -0.57 0.00 0.00 43.02 42.02 2dcu s PHE 88 CO 0.05 -0.24 1.27 0.95 -0.10 0.00 0.00 175.22 177.15 2dcu s THR 89 N 1.89 2.73 0.57 0.64 -4.23 -1.26 -4.87 115.64 111.11 2dcu s THR 89 Ca -0.01 0.65 0.40 0.00 -1.18 0.00 0.00 61.69 61.54 2dcu s THR 89 Cb -0.12 -3.38 0.59 0.00 1.34 0.00 0.00 72.50 70.94 2dcu s THR 89 CO -0.06 0.09 1.60 -0.65 -0.54 0.00 0.00 174.62 175.06 2dcu h PRO 90 N 2.65 0.00 0.09 3.99 0.11 -1.99 0.24 132.00 137.09 2dcu h PRO 90 Ca -0.49 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.34 2dcu h PRO 90 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2dcu h PRO 90 CO 0.62 0.00 -1.34 1.88 -0.21 0.00 0.00 178.00 178.96 2dcu h TYR 91 N 0.00 0.33 0.25 0.65 0.05 -1.96 0.58 116.97 116.87 2dcu h TYR 91 Ca 0.69 -0.24 0.01 0.00 0.05 0.00 0.00 58.73 59.24 2dcu h TYR 91 Cb 3.01 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 40.71 2dcu h TYR 91 CO 0.00 1.23 -0.31 1.25 -1.05 0.00 0.00 178.16 179.29 2dcu h LEU 92 N 0.05 -0.85 -0.39 3.88 6.46 -0.88 0.70 115.31 124.28 2dcu h LEU 92 Ca -0.16 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 2dcu h LEU 92 Cb 1.95 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 42.16 2dcu h LEU 92 CO 0.16 -0.43 0.20 0.40 -0.62 0.00 0.00 178.44 178.16 2dcu h ILE 93 N -0.61 1.16 -0.86 4.05 2.04 -1.61 -2.03 117.51 119.65 2dcu h ILE 93 Ca -0.00 -0.42 0.21 0.00 1.00 0.00 0.00 64.86 65.65 2dcu h ILE 93 Cb 0.58 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 2dcu h ILE 93 CO -0.10 0.16 0.59 0.00 0.00 0.00 0.00 178.15 178.80 2dcu h ALA 94 N 1.06 2.43 0.00 1.87 0.00 0.08 0.50 119.26 125.19 2dcu h ALA 94 Ca 0.14 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2dcu h ALA 94 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2dcu h ALA 94 CO -0.02 -0.69 -0.73 -0.97 0.00 0.00 0.00 179.25 176.84 2dcu h ASN 95 N 0.24 0.00 0.52 0.00 -1.24 0.11 -3.16 115.58 112.05 2dcu h ASN 95 Ca 0.43 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 57.16 2dcu h ASN 95 Cb 1.31 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.37 2dcu h ASN 95 CO -0.11 0.73 -1.27 0.11 -1.29 0.00 0.00 177.43 175.61 2dcu h LYS 96 N 0.00 0.35 -0.71 6.67 1.79 -0.59 -3.08 116.57 121.01 2dcu h LYS 96 Ca -0.01 -0.57 -0.07 0.00 -2.18 0.00 0.00 60.65 57.83 2dcu h LYS 96 Cb 1.51 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 32.34 2dcu h LYS 96 CO 0.10 1.26 0.17 -0.07 -1.08 0.00 0.00 179.45 179.83 2dcu h LEU 97 N 0.11 1.07 -0.71 2.94 3.38 -1.46 -1.76 115.31 118.88 2dcu h LEU 97 Ca -0.16 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 57.71 2dcu h LEU 97 Cb 1.98 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 42.36 2dcu h LEU 97 CO 0.22 1.02 0.28 0.50 0.09 0.00 0.00 178.44 180.55 2dcu h LYS 98 N 1.07 0.43 -0.31 1.13 3.64 -1.55 -1.02 116.57 119.96 2dcu h LYS 98 Ca 0.22 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 2dcu h LYS 98 Cb 0.37 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2dcu h LYS 98 CO 0.00 0.29 -0.37 0.87 -2.27 0.00 0.00 179.45 177.97 2dcu h LYS 99 N 0.45 0.71 0.63 1.90 1.57 -1.33 -2.77 116.57 117.72 2dcu h LYS 99 Ca 0.38 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2dcu h LYS 99 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2dcu h LYS 99 CO -0.37 0.96 -0.38 -0.92 -0.57 0.00 0.00 179.45 178.17 2dcu h TYR 100 N 0.59 -1.01 -1.02 -1.35 3.20 -0.37 -0.47 116.97 116.54 2dcu h TYR 100 Ca 0.05 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.17 2dcu h TYR 100 Cb 0.90 0.36 -0.08 0.00 1.54 0.00 0.00 36.73 39.45 2dcu h TYR 100 CO 0.04 -0.58 0.67 0.82 -1.64 0.00 0.00 178.16 177.47 2dcu h ILE 101 N -0.96 0.55 -0.19 1.81 2.04 -1.28 0.23 117.51 119.71 2dcu h ILE 101 Ca -0.08 -0.12 -0.21 0.00 1.00 0.00 0.00 64.86 65.45 2dcu h ILE 101 Cb 0.77 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2dcu h ILE 101 CO 0.08 0.06 -0.71 0.50 0.00 0.00 0.00 178.15 178.08 2dcu h LYS 102 N 0.34 0.81 -0.18 2.37 3.64 -1.00 -2.03 116.57 120.52 2dcu h LYS 102 Ca 0.55 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2dcu h LYS 102 Cb 1.51 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 2dcu h LYS 102 CO -0.22 1.23 0.00 -0.85 -2.27 0.00 0.00 179.45 177.34 2dcu n GLU 103 N -3.95 2.58 0.00 1.90 0.28 -0.28 -4.44 120.64 116.73 2dcu n GLU 103 Ca -0.06 -2.34 0.00 0.00 -0.16 0.00 0.00 57.16 54.59 2dcu n GLU 103 Cb 0.71 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 32.11 2dcu n GLU 103 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2dcu n TYR 104 N -0.43 0.00 -0.72 -1.84 4.01 0.71 -4.69 117.16 114.20 2dcu n TYR 104 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2dcu n TYR 104 Cb 0.60 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2dcu n TYR 104 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2dcu n VAL 105 N 0.00 0.00 -4.53 -0.72 0.31 -1.01 -4.89 118.33 107.48 2dcu n VAL 105 Ca 0.00 -0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.01 2dcu n VAL 105 Cb 0.10 1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 34.62 2dcu n VAL 105 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2dcu s ILE 106 N -0.02 1.26 -0.30 2.52 1.01 -0.79 -4.27 121.20 120.61 2dcu s ILE 106 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 2dcu s ILE 106 Cb 0.00 -1.10 -0.00 0.00 0.01 0.00 0.00 42.46 41.37 2dcu s ILE 106 CO 0.00 0.16 0.76 0.00 0.00 0.00 0.00 174.94 175.86 2dcu h PRO 108 N 8.07 0.00 0.00 0.00 0.13 -1.96 -1.12 132.00 137.13 2dcu h PRO 108 Ca -0.25 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.58 2dcu h PRO 108 Cb 1.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 2dcu h PRO 108 CO 0.86 0.00 -1.65 1.33 -0.23 0.00 0.00 178.00 178.31 2dcu n VAL 109 N -2.56 1.53 -3.74 1.56 0.24 -1.26 -4.76 118.33 109.34 2dcu n VAL 109 Ca 0.01 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 2dcu n VAL 109 Cb 0.22 -2.00 -0.14 0.00 -1.47 0.00 0.00 33.84 30.45 2dcu n VAL 109 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dcu n GLY 111 N 4.10 0.49 3.40 0.00 0.00 -0.43 -4.37 105.19 108.38 2dcu n GLY 111 Ca 0.04 0.98 -0.07 0.00 0.00 0.00 0.00 46.02 46.98 2dcu n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dcu s SER 112 N 3.70 -0.60 0.05 1.61 0.01 -1.26 -4.85 113.70 112.37 2dcu s SER 112 Ca 1.03 1.18 0.08 0.00 1.31 0.00 0.00 55.95 59.55 2dcu s SER 112 Cb -1.28 1.51 0.36 0.00 0.21 0.00 0.00 66.02 66.83 2dcu s SER 112 CO 0.72 -0.22 1.25 -2.65 0.41 0.00 0.00 173.24 172.74 2dcu n PRO 113 N 5.12 0.03 0.00 12.44 -0.02 -1.26 -2.19 135.00 149.11 2dcu n PRO 113 Ca -0.13 0.45 0.04 0.00 -2.02 0.00 0.00 63.50 61.84 2dcu n PRO 113 Cb 0.51 -1.58 0.25 0.00 -0.02 0.00 0.00 33.50 32.66 2dcu n PRO 113 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dcu n ASP 114 N -1.64 0.00 -4.75 2.55 8.00 -1.26 -4.83 116.55 114.62 2dcu n ASP 114 Ca 0.01 -1.26 -0.34 0.00 0.71 0.00 0.00 54.79 53.90 2dcu n ASP 114 Cb 0.06 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.22 2dcu n ASP 114 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2dcu s THR 115 N -2.00 2.86 0.00 -3.53 -1.32 -0.93 -3.39 115.64 107.33 2dcu s THR 115 Ca 0.13 0.43 -0.05 0.00 -1.21 0.00 0.00 61.69 60.99 2dcu s THR 115 Cb 0.06 -3.00 -0.00 0.00 -1.51 0.00 0.00 72.50 68.04 2dcu s THR 115 CO 0.10 -0.21 0.08 -0.75 -2.21 0.00 0.00 174.62 171.63 2dcu s LYS 116 N -3.86 0.39 -0.21 7.08 2.20 -1.26 -4.82 119.74 119.26 2dcu s LYS 116 Ca 0.71 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 2dcu s LYS 116 Cb -0.25 0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 2dcu s LYS 116 CO 0.40 -0.08 1.27 -1.50 -0.36 0.00 0.00 175.35 175.08 2dcu s ILE 117 N -1.26 4.24 0.36 5.43 2.07 -1.26 0.13 121.20 130.91 2dcu s ILE 117 Ca -0.14 1.48 0.09 0.00 -1.41 0.00 0.00 60.65 60.67 2dcu s ILE 117 Cb -0.08 -4.05 -0.07 0.00 0.13 0.00 0.00 42.46 38.39 2dcu s ILE 117 CO 0.01 -0.24 -0.05 -0.51 -1.91 0.00 0.00 174.94 172.23 2dcu s ILE 118 N 3.78 2.25 -0.23 2.00 2.07 -1.24 -4.87 121.20 124.97 2dcu s ILE 118 Ca 0.55 -2.12 -0.04 0.00 -1.41 0.00 0.00 60.65 57.63 2dcu s ILE 118 Cb -0.20 -2.75 0.10 0.00 0.13 0.00 0.00 42.46 39.74 2dcu s ILE 118 CO 0.17 -0.16 0.20 -0.54 -1.91 0.00 0.00 174.94 172.70 2dcu s LYS 119 N -3.65 0.19 0.00 3.50 -0.14 -1.25 -3.73 119.74 114.66 2dcu s LYS 119 Ca 0.34 -0.03 0.07 0.00 -1.36 0.00 0.00 55.97 54.99 2dcu s LYS 119 Cb 0.04 -1.21 0.18 0.00 -1.68 0.00 0.00 37.83 35.16 2dcu s LYS 119 CO 0.17 -0.78 1.14 2.89 -0.76 0.00 0.00 175.35 178.01 2dcu n ARG 120 N 5.30 2.77 -3.43 1.68 1.85 -1.25 -5.02 116.66 118.55 2dcu n ARG 120 Ca -0.05 -1.79 -0.00 0.00 -1.00 0.00 0.00 57.85 55.00 2dcu n ARG 120 Cb 0.48 -1.17 0.01 0.00 -1.05 0.00 0.00 32.46 30.73 2dcu n ARG 120 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2dcu n ASP 121 N 0.15 -1.18 0.00 2.89 2.03 -1.26 -4.94 116.55 114.24 2dcu n ASP 121 Ca 0.07 -1.48 0.03 0.00 0.52 0.00 0.00 54.79 53.93 2dcu n ASP 121 Cb 0.35 1.88 0.18 0.00 -0.72 0.00 0.00 41.12 42.81 2dcu n ASP 121 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dcu n ARG 122 N -0.64 0.10 -3.18 -0.67 1.74 -1.26 -4.53 116.66 108.22 2dcu n ARG 122 Ca 0.01 0.21 -0.39 0.00 -0.77 0.00 0.00 57.85 56.91 2dcu n ARG 122 Cb 0.46 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 2dcu n ARG 122 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2dcu s PHE 123 N -2.56 3.66 -1.10 -1.55 0.08 -1.26 -5.02 117.98 110.23 2dcu s PHE 123 Ca 0.07 1.19 -0.16 0.00 0.12 0.00 0.00 56.93 58.15 2dcu s PHE 123 Cb 0.05 -2.64 0.14 0.00 -0.57 0.00 0.00 43.02 40.00 2dcu s PHE 123 CO 0.11 0.31 1.35 -1.01 -0.10 0.00 0.00 175.22 175.87 2dcu s HIS 124 N -0.01 3.25 -0.22 0.36 3.76 -1.26 -3.94 115.29 117.23 2dcu s HIS 124 Ca 0.32 -1.76 -0.15 0.00 -0.15 0.00 0.00 55.06 53.32 2dcu s HIS 124 Cb -0.18 -4.36 -0.04 0.00 1.11 0.00 0.00 32.58 29.11 2dcu s HIS 124 CO 0.17 -1.49 0.39 -0.06 -0.85 0.00 0.00 174.74 172.89 2dcu s PHE 125 N 2.38 3.34 0.11 1.40 0.08 -1.24 -1.85 117.98 122.19 2dcu s PHE 125 Ca 0.40 0.55 0.08 0.00 0.12 0.00 0.00 56.93 58.08 2dcu s PHE 125 Cb -0.03 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.85 2dcu s PHE 125 CO -0.03 -0.07 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.32 2dcu s LEU 126 N 1.52 2.33 0.00 -0.37 1.02 -0.71 -3.59 118.68 118.88 2dcu s LEU 126 Ca 0.18 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.61 2dcu s LEU 126 Cb -0.15 -0.80 0.00 0.00 0.02 0.00 0.00 46.19 45.26 2dcu s LEU 126 CO 0.08 0.01 0.00 0.29 0.02 0.00 0.00 176.35 176.75 2dcu n LYS 127 N 0.94 0.00 0.00 1.70 4.01 0.34 -3.48 118.16 121.68 2dcu n LYS 127 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 2dcu n LYS 127 Cb 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.06 2dcu n LYS 127 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dcu n GLU 129 N 0.03 1.00 -0.13 0.00 -0.58 -1.22 -3.13 120.64 116.62 2dcu n GLU 129 Ca 0.00 -0.80 -0.26 0.00 -0.42 0.00 0.00 57.16 55.68 2dcu n GLU 129 Cb 0.00 -1.48 -0.09 0.00 -0.57 0.00 0.00 31.44 29.30 2dcu n GLU 129 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dcu n ALA 130 N -0.30 1.24 -0.05 0.62 0.00 -1.26 -4.76 120.51 115.99 2dcu n ALA 130 Ca 0.09 -1.03 -0.17 0.00 0.00 0.00 0.00 53.44 52.33 2dcu n ALA 130 Cb 0.43 0.14 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 2dcu n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dcu n GLY 132 N 1.98 0.44 3.74 0.00 0.00 -1.18 -5.06 105.19 105.10 2dcu n GLY 132 Ca -0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2dcu n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcu s ALA 133 N -2.00 3.68 -0.76 4.61 0.00 -1.26 -4.90 121.76 121.13 2dcu s ALA 133 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.35 2dcu s ALA 133 Cb 0.00 -3.58 0.23 0.00 0.00 0.00 0.00 23.12 19.77 2dcu s ALA 133 CO 0.00 -0.78 0.79 0.39 0.00 0.00 0.00 175.76 176.16 2dcu n GLU 134 N 2.74 2.63 -1.79 0.00 1.02 -1.26 -3.32 120.64 120.66 2dcu n GLU 134 Ca 0.09 -4.58 -0.38 0.00 -0.02 0.00 0.00 57.16 52.26 2dcu n GLU 134 Cb 0.39 -2.33 0.04 0.00 -0.02 0.00 0.00 31.44 29.53 2dcu n GLU 134 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dcu s THR 135 N -2.07 2.10 -0.82 2.62 -4.23 -1.23 -4.73 115.64 107.28 2dcu s THR 135 Ca 0.33 0.07 -0.22 0.00 -1.18 0.00 0.00 61.69 60.69 2dcu s THR 135 Cb 0.05 -3.04 0.08 0.00 1.34 0.00 0.00 72.50 70.93 2dcu s THR 135 CO -0.06 -0.00 1.14 -2.16 -0.54 0.00 0.00 174.62 173.00 2dcu s PRO 136 N -2.99 3.36 -0.33 3.99 0.04 -1.26 -1.74 135.00 136.07 2dcu s PRO 136 Ca 0.73 -1.12 -0.10 0.00 0.04 0.00 0.00 61.00 60.56 2dcu s PRO 136 Cb -0.40 -4.65 0.01 0.00 0.04 0.00 0.00 34.50 29.50 2dcu s PRO 136 CO 0.46 -1.91 0.16 0.96 0.04 0.00 0.00 177.00 176.71 2dcu s ILE 137 N 3.98 4.51 0.00 0.56 -4.36 -0.77 -4.42 121.20 120.69 2dcu s ILE 137 Ca 0.31 -0.61 0.00 0.00 -0.26 0.00 0.00 60.65 60.09 2dcu s ILE 137 Cb -0.09 -3.38 0.00 0.00 1.25 0.00 0.00 42.46 40.24 2dcu s ILE 137 CO 0.01 -0.04 0.24 0.00 0.24 0.00 0.00 174.94 175.39 2dcu n GLN 138 N 4.97 0.00 0.00 0.37 1.13 -1.26 -4.72 117.38 117.87 2dcu n GLN 138 Ca -0.13 -0.24 0.00 0.00 -1.94 0.00 0.00 57.00 54.69 2dcu n GLN 138 Cb 0.48 -0.25 0.00 0.00 0.11 0.00 0.00 30.24 30.58 2dcu n GLN 138 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20