#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua s VAL 2 N 0.00 2.75 0.24 3.17 0.11 -1.26 -2.46 120.40 122.95 2uua s VAL 2 Ca 0.00 0.48 0.03 0.00 -2.93 0.00 0.00 61.98 59.56 2uua s VAL 2 Cb 0.00 -3.20 -0.05 0.00 -1.53 0.00 0.00 36.38 31.60 2uua s VAL 2 CO 0.00 -0.09 0.01 -0.54 -3.33 0.00 0.00 175.10 171.15 2uua s LYS 3 N -3.24 1.35 -0.21 1.54 1.02 0.17 -1.98 119.74 118.39 2uua s LYS 3 Ca 0.75 -1.69 0.02 0.00 0.02 0.00 0.00 55.97 55.07 2uua s LYS 3 Cb -0.29 -0.58 0.04 0.00 -0.52 0.00 0.00 37.83 36.48 2uua s LYS 3 CO 0.33 -0.12 -0.14 0.42 -0.92 0.00 0.00 175.35 174.91 2uua s ILE 4 N -3.46 1.96 0.35 2.17 1.01 -0.76 -0.73 121.20 121.74 2uua s ILE 4 Ca 0.29 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 2uua s ILE 4 Cb 0.06 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.61 2uua s ILE 4 CO 0.09 0.23 0.58 -2.11 0.00 0.00 0.00 174.94 173.74 2uua n ARG 5 N 4.58 0.84 -3.23 2.79 1.85 0.97 -1.58 116.66 122.88 2uua n ARG 5 Ca -0.17 -2.46 -0.39 0.00 -1.00 0.00 0.00 57.85 53.84 2uua n ARG 5 Cb 0.46 2.61 -0.06 0.00 -1.05 0.00 0.00 32.46 34.43 2uua n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2uua s LEU 6 N 0.00 4.35 -0.12 2.89 1.02 -1.26 0.25 118.68 125.80 2uua s LEU 6 Ca 0.23 1.03 -0.00 0.00 0.02 0.00 0.00 54.13 55.40 2uua s LEU 6 Cb -0.02 -2.85 -0.02 0.00 0.02 0.00 0.00 46.19 43.31 2uua s LEU 6 CO 0.16 0.03 -0.11 0.00 0.02 0.00 0.00 176.35 176.46 2uua s ALA 7 N 0.27 2.74 -0.35 4.21 0.00 -0.83 -4.92 121.76 122.88 2uua s ALA 7 Ca 0.30 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 2uua s ALA 7 Cb -0.17 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.71 2uua s ALA 7 CO 0.15 0.31 1.14 0.50 0.00 0.00 0.00 175.76 177.85 2uua s ARG 8 N 0.13 3.95 0.00 0.00 3.00 -1.26 -0.90 118.95 123.87 2uua s ARG 8 Ca -0.05 0.99 0.00 0.00 -1.00 0.00 0.00 55.73 55.67 2uua s ARG 8 Cb -0.15 -3.81 0.00 0.00 0.00 0.00 0.00 34.95 31.00 2uua s ARG 8 CO 0.04 -1.06 0.37 1.19 0.00 0.00 0.00 175.30 175.84 2uua n PHE 9 N 7.27 0.00 0.00 5.12 3.72 0.12 -4.91 117.46 128.78 2uua n PHE 9 Ca 0.13 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2uua n PHE 9 Cb 0.47 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 2uua n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uua n GLY 10 N -0.03 -1.12 3.79 1.37 0.00 -0.51 -4.67 105.19 104.02 2uua n GLY 10 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2uua n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uua s SER 11 N -1.48 -0.14 -0.23 1.61 1.04 -0.06 -4.85 113.70 109.60 2uua s SER 11 Ca 0.00 -0.50 -0.39 0.00 0.48 0.00 0.00 55.95 55.54 2uua s SER 11 Cb 0.00 0.52 -0.15 0.00 0.10 0.00 0.00 66.02 66.49 2uua s SER 11 CO 0.00 -0.98 1.77 1.17 0.98 0.00 0.00 173.24 176.18 2uua n LYS 12 N -0.52 1.40 -1.15 4.02 4.81 -1.26 0.11 118.16 125.58 2uua n LYS 12 Ca -0.05 0.51 -0.05 0.00 -0.87 0.00 0.00 58.31 57.85 2uua n LYS 12 Cb 0.60 -2.23 -0.02 0.00 0.02 0.00 0.00 35.03 33.40 2uua n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2uua n HIS 13 N 5.62 0.00 -3.02 5.64 8.25 -1.26 -4.86 115.22 125.59 2uua n HIS 13 Ca 0.25 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.55 2uua n HIS 13 Cb 0.17 -1.88 -0.02 0.00 1.12 0.00 0.00 29.99 29.39 2uua n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2uua n ASN 14 N -0.65 1.37 -4.76 0.41 5.15 0.31 -5.12 115.26 111.98 2uua n ASN 14 Ca -0.05 -3.01 -0.39 0.00 -0.60 0.00 0.00 54.58 50.53 2uua n ASN 14 Cb 0.41 -0.59 0.03 0.00 -0.53 0.00 0.00 39.78 39.10 2uua n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2uua s PRO 15 N -2.71 3.38 -0.28 1.20 0.04 -1.22 -0.88 135.00 134.54 2uua s PRO 15 Ca 0.38 2.30 -0.01 0.00 0.04 0.00 0.00 61.00 63.71 2uua s PRO 15 Cb 0.37 -2.42 0.17 0.00 0.04 0.00 0.00 34.50 32.66 2uua s PRO 15 CO -0.06 -1.02 0.49 -1.01 0.04 0.00 0.00 177.00 175.44 2uua s HIS 16 N -1.27 -1.27 0.36 0.56 3.76 -1.26 -4.54 115.29 111.63 2uua s HIS 16 Ca 0.67 1.15 0.01 0.00 -0.15 0.00 0.00 55.06 56.74 2uua s HIS 16 Cb -0.41 0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.49 2uua s HIS 16 CO 0.51 -0.85 0.56 0.71 -0.85 0.00 0.00 174.74 174.82 2uua s TYR 17 N 2.70 3.45 -0.21 1.40 1.51 -0.87 0.12 117.35 125.45 2uua s TYR 17 Ca 0.15 0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 56.52 2uua s TYR 17 Cb -0.14 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 2uua s TYR 17 CO -0.21 0.05 -0.13 1.03 -1.11 0.00 0.00 175.55 175.18 2uua s ARG 18 N -4.34 2.98 0.07 -0.62 0.52 -0.08 -1.75 118.95 115.73 2uua s ARG 18 Ca 0.41 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.46 2uua s ARG 18 Cb -0.10 -2.77 -0.08 0.00 0.52 0.00 0.00 34.95 32.52 2uua s ARG 18 CO 0.36 -0.27 1.67 0.42 0.02 0.00 0.00 175.30 177.50 2uua s ILE 19 N 1.32 3.03 0.05 1.52 1.09 -0.80 -1.96 121.20 125.45 2uua s ILE 19 Ca 0.03 0.45 0.02 0.00 -1.10 0.00 0.00 60.65 60.06 2uua s ILE 19 Cb -0.15 -3.29 -0.03 0.00 -1.06 0.00 0.00 42.46 37.94 2uua s ILE 19 CO -0.09 -0.00 -0.07 -0.69 -0.10 0.00 0.00 174.94 173.98 2uua s VAL 20 N 2.76 0.54 -0.22 2.92 1.01 0.14 -1.29 120.40 126.26 2uua s VAL 20 Ca 0.75 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2uua s VAL 20 Cb -0.40 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2uua s VAL 20 CO 0.33 -0.45 0.06 -0.69 0.00 0.00 0.00 175.10 174.35 2uua s VAL 21 N -1.66 4.45 0.22 2.92 1.01 -0.21 -0.02 120.40 127.12 2uua s VAL 21 Ca -0.08 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 2uua s VAL 21 Cb -0.08 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.28 2uua s VAL 21 CO -0.00 0.38 0.60 0.28 0.00 0.00 0.00 175.10 176.36 2uua s THR 22 N 1.15 0.01 0.24 3.92 -1.32 0.09 -0.24 115.64 119.48 2uua s THR 22 Ca 0.04 -0.77 -0.30 0.00 -1.21 0.00 0.00 61.69 59.45 2uua s THR 22 Cb -0.14 -1.68 -0.09 0.00 -1.51 0.00 0.00 72.50 69.08 2uua s THR 22 CO 0.03 -0.04 1.27 -0.62 -2.21 0.00 0.00 174.62 173.04 2uua s ASP 23 N -2.88 6.95 0.32 8.08 -1.08 -1.26 0.44 116.67 127.23 2uua s ASP 23 Ca 0.10 2.42 0.08 0.00 -0.52 0.00 0.00 52.55 54.63 2uua s ASP 23 Cb -0.03 -2.62 0.81 0.00 -1.46 0.00 0.00 42.92 39.62 2uua s ASP 23 CO -0.00 -0.46 1.78 0.00 0.52 0.00 0.00 175.17 177.01 2uua h ALA 24 N 4.73 1.77 0.00 3.66 0.00 -1.79 -1.68 119.26 125.96 2uua h ALA 24 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2uua h ALA 24 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2uua h ALA 24 CO 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2uua h ARG 25 N 0.69 0.00 -7.24 0.00 3.08 -1.90 -3.46 114.38 105.56 2uua h ARG 25 Ca 0.58 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 60.12 2uua h ARG 25 Cb 0.99 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.12 2uua h ARG 25 CO -0.36 0.00 0.37 0.50 -1.07 0.00 0.00 179.97 179.41 2uua s ARG 26 N -3.49 3.05 1.00 0.04 3.52 -0.63 -5.00 118.95 117.44 2uua s ARG 26 Ca 0.02 1.17 -0.11 0.00 -0.13 0.00 0.00 55.73 56.69 2uua s ARG 26 Cb 0.09 -2.00 0.19 0.00 -1.56 0.00 0.00 34.95 31.68 2uua s ARG 26 CO 0.43 -1.02 1.10 -1.59 -0.81 0.00 0.00 175.30 173.41 2uua s LYS 27 N -4.37 0.33 0.08 5.12 -2.85 -1.26 -4.93 119.74 111.86 2uua s LYS 27 Ca 0.63 1.26 -0.15 0.00 -1.00 0.00 0.00 55.97 56.70 2uua s LYS 27 Cb -0.16 -1.67 -0.13 0.00 -2.06 0.00 0.00 37.83 33.81 2uua s LYS 27 CO 0.43 -3.00 1.33 0.07 0.10 0.00 0.00 175.35 174.28 2uua h ARG 28 N -2.13 0.68 -0.65 1.78 0.11 -1.95 -3.09 114.38 109.14 2uua h ARG 28 Ca -0.50 -0.46 0.00 0.00 0.10 0.00 0.00 59.98 59.12 2uua h ARG 28 Cb 1.29 0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2uua h ARG 28 CO 0.45 1.08 0.00 -0.25 0.10 0.00 0.00 179.97 181.35 2uua n ASP 29 N -4.17 3.17 -2.04 0.08 10.43 -1.26 -4.69 116.55 118.08 2uua n ASP 29 Ca -0.06 -2.34 0.00 0.00 2.57 0.00 0.00 54.79 54.96 2uua n ASP 29 Cb 0.58 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 43.05 2uua n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2uua n GLY 30 N 0.63 -0.92 3.56 0.44 0.00 -1.17 -4.93 105.19 102.80 2uua n GLY 30 Ca 0.15 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 2uua n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uua s LYS 31 N -2.80 2.25 0.69 1.61 2.20 -1.26 -4.96 119.74 117.47 2uua s LYS 31 Ca 0.00 1.44 -0.05 0.00 -0.36 0.00 0.00 55.97 56.99 2uua s LYS 31 Cb 0.00 -4.55 0.06 0.00 -1.51 0.00 0.00 37.83 31.83 2uua s LYS 31 CO 0.00 -3.11 0.98 1.52 -0.36 0.00 0.00 175.35 174.39 2uua s TYR 32 N 11.56 2.85 0.03 4.03 1.13 -1.26 -4.86 117.35 130.82 2uua s TYR 32 Ca 0.96 0.35 0.01 0.00 -1.41 0.00 0.00 57.07 56.98 2uua s TYR 32 Cb -0.19 -3.14 -0.26 0.00 -1.10 0.00 0.00 41.96 37.27 2uua s TYR 32 CO 0.27 -1.36 0.94 0.82 -2.51 0.00 0.00 175.55 173.71 2uua h ILE 33 N -0.51 1.26 -1.53 -3.49 2.04 -0.99 -3.48 117.51 110.80 2uua h ILE 33 Ca -0.44 -2.93 0.08 0.00 1.00 0.00 0.00 64.86 62.57 2uua h ILE 33 Cb 1.31 2.75 -0.27 0.00 -0.74 0.00 0.00 36.82 39.88 2uua h ILE 33 CO 0.58 0.82 0.52 -0.70 0.00 0.00 0.00 178.15 179.36 2uua s GLU 34 N -2.64 0.47 -0.15 2.37 2.12 -0.96 -4.99 118.70 114.91 2uua s GLU 34 Ca -0.06 0.48 -0.18 0.00 0.36 0.00 0.00 54.97 55.57 2uua s GLU 34 Cb 0.08 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 2uua s GLU 34 CO 0.85 -0.07 0.46 0.21 -0.54 0.00 0.00 175.26 176.17 2uua s LYS 35 N 0.02 4.28 -0.05 4.30 2.20 -1.26 -1.04 119.74 128.19 2uua s LYS 35 Ca 0.03 0.38 0.07 0.00 -0.36 0.00 0.00 55.97 56.08 2uua s LYS 35 Cb -0.04 -3.48 0.10 0.00 -1.51 0.00 0.00 37.83 32.90 2uua s LYS 35 CO -0.06 0.07 0.98 0.44 -0.36 0.00 0.00 175.35 176.41 2uua n ILE 36 N 3.95 1.00 -2.96 5.43 -5.35 -0.41 -4.97 119.36 116.04 2uua n ILE 36 Ca -0.07 -1.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 2uua n ILE 36 Cb 0.51 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 2uua n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2uua n GLY 37 N -0.67 -1.34 3.54 3.28 0.00 -1.01 -0.98 105.19 108.00 2uua n GLY 37 Ca 0.06 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2uua n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2uua s TYR 38 N -2.89 -0.46 -0.11 1.61 -0.85 -0.83 -1.90 117.35 111.92 2uua s TYR 38 Ca 0.00 0.68 -0.05 0.00 -0.52 0.00 0.00 57.07 57.18 2uua s TYR 38 Cb 0.00 0.46 0.05 0.00 0.38 0.00 0.00 41.96 42.85 2uua s TYR 38 CO 0.00 -0.49 0.25 -0.47 -1.52 0.00 0.00 175.55 173.32 2uua s TYR 39 N -1.68 -0.36 -0.46 -3.49 5.04 -0.71 -2.16 117.35 113.52 2uua s TYR 39 Ca -0.03 0.85 -0.14 0.00 -2.44 0.00 0.00 57.07 55.31 2uua s TYR 39 Cb -0.00 0.01 0.08 0.00 0.35 0.00 0.00 41.96 42.39 2uua s TYR 39 CO 0.01 -0.28 0.37 0.34 -1.34 0.00 0.00 175.55 174.65 2uua s ASP 40 N 1.71 6.00 0.00 4.32 3.68 0.10 -2.05 116.67 130.43 2uua s ASP 40 Ca -0.05 -1.44 0.07 0.00 2.13 0.00 0.00 52.55 53.26 2uua s ASP 40 Cb -0.11 -2.13 0.34 0.00 -1.45 0.00 0.00 42.92 39.57 2uua s ASP 40 CO -0.08 -0.64 1.19 -0.81 0.13 0.00 0.00 175.17 174.96 2uua n PRO 41 N 5.12 0.03 -0.21 4.34 -0.04 -1.26 -1.99 135.00 141.00 2uua n PRO 41 Ca -0.12 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2uua n PRO 41 Cb 0.43 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.54 2uua n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2uua n ARG 42 N -1.43 2.69 -3.89 0.54 1.74 -1.26 -5.00 116.66 110.05 2uua n ARG 42 Ca 0.02 -2.26 -0.23 0.00 -0.77 0.00 0.00 57.85 54.62 2uua n ARG 42 Cb 0.08 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.10 2uua n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2uua n LYS 43 N -0.26 -0.65 -0.01 5.56 4.01 -0.84 -4.72 118.16 121.24 2uua n LYS 43 Ca 0.13 -0.25 0.13 0.00 -0.51 0.00 0.00 58.31 57.82 2uua n LYS 43 Cb 0.56 -0.69 0.55 0.00 -0.51 0.00 0.00 35.03 34.95 2uua n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2uua n THR 44 N -2.92 0.04 -3.96 -0.18 -2.24 -1.26 -4.78 114.28 98.97 2uua n THR 44 Ca -0.06 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 2uua n THR 44 Cb 0.27 0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 2uua n THR 44 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2uua s THR 45 N -1.96 0.10 -1.25 4.28 -1.32 -1.26 -5.01 115.64 109.22 2uua s THR 45 Ca 0.38 -0.71 0.07 0.00 -1.21 0.00 0.00 61.69 60.22 2uua s THR 45 Cb 0.20 -0.22 0.09 0.00 -1.51 0.00 0.00 72.50 71.07 2uua s THR 45 CO 0.32 -0.38 1.14 -0.81 -2.21 0.00 0.00 174.62 172.68 2uua n PRO 46 N 1.94 0.06 -3.16 7.08 -0.04 -1.26 -2.89 135.00 136.73 2uua n PRO 46 Ca -0.21 0.29 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 2uua n PRO 46 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2uua n PRO 46 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2uua n ASP 47 N -1.38 4.56 -1.11 3.54 4.64 -1.26 -4.79 116.55 120.76 2uua n ASP 47 Ca 0.03 -3.55 0.11 0.00 -1.38 0.00 0.00 54.79 50.00 2uua n ASP 47 Cb 0.07 -0.73 0.27 0.00 -1.04 0.00 0.00 41.12 39.69 2uua n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 2uua n TRP 48 N 0.45 0.69 -3.66 -0.67 4.27 -1.14 -4.80 117.44 112.58 2uua n TRP 48 Ca 0.31 -0.34 -0.06 0.00 -3.89 0.00 0.00 57.50 53.51 2uua n TRP 48 Cb 0.38 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.26 2uua n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2uua s LEU 49 N -1.19 -0.76 -0.09 5.67 2.96 -1.26 0.00 118.68 124.01 2uua s LEU 49 Ca 0.40 1.30 -0.09 0.00 -0.22 0.00 0.00 54.13 55.52 2uua s LEU 49 Cb 0.22 1.95 0.02 0.00 0.50 0.00 0.00 46.19 48.88 2uua s LEU 49 CO 0.29 -0.22 0.26 -0.75 -1.32 0.00 0.00 176.35 174.61 2uua s LYS 50 N 2.11 0.34 -0.08 1.98 2.20 -0.92 -5.02 119.74 120.34 2uua s LYS 50 Ca -0.07 0.30 -0.04 0.00 -0.36 0.00 0.00 55.97 55.80 2uua s LYS 50 Cb -0.09 0.16 0.04 0.00 -1.51 0.00 0.00 37.83 36.43 2uua s LYS 50 CO -0.17 -0.05 0.18 0.08 -0.36 0.00 0.00 175.35 175.04 2uua s VAL 51 N -0.02 -0.04 -1.22 4.02 1.01 -1.26 -1.96 120.40 120.93 2uua s VAL 51 Ca -0.02 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 2uua s VAL 51 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2uua s VAL 51 CO 0.01 0.07 2.00 -0.67 0.00 0.00 0.00 175.10 176.50 2uua n ASP 52 N 4.17 3.68 -0.44 3.32 -0.08 -0.15 -4.75 116.55 122.30 2uua n ASP 52 Ca -0.26 -2.80 0.38 0.00 -1.51 0.00 0.00 54.79 50.60 2uua n ASP 52 Cb 0.52 -1.56 0.64 0.00 2.34 0.00 0.00 41.12 43.07 2uua n ASP 52 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2uua n VAL 53 N 6.00 -0.25 0.14 5.18 3.14 -1.26 0.15 118.33 131.41 2uua n VAL 53 Ca 0.50 1.74 -0.11 0.00 -2.96 0.00 0.00 64.34 63.51 2uua n VAL 53 Cb 0.42 -2.85 -0.07 0.00 -1.06 0.00 0.00 33.84 30.28 2uua n VAL 53 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2uua h GLU 54 N 0.00 -0.39 -0.85 1.45 4.57 -1.99 -2.83 114.58 114.54 2uua h GLU 54 Ca 0.84 0.03 0.16 0.00 -1.18 0.00 0.00 59.36 59.21 2uua h GLU 54 Cb 2.68 0.09 -0.10 0.00 -0.16 0.00 0.00 28.75 31.25 2uua h GLU 54 CO -0.47 -0.06 0.42 0.00 -1.18 0.00 0.00 179.01 177.72 2uua h ARG 55 N -0.94 0.55 0.42 1.92 2.47 -0.69 0.10 114.38 118.21 2uua h ARG 55 Ca -0.04 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 2uua h ARG 55 Cb 0.50 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 2uua h ARG 55 CO 0.07 0.36 -0.50 0.00 0.56 0.00 0.00 179.97 180.47 2uua h ALA 56 N 1.59 -1.08 -0.92 0.04 0.00 -0.78 -1.88 119.26 116.23 2uua h ALA 56 Ca 0.48 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.36 2uua h ALA 56 Cb 0.73 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 19.11 2uua h ALA 56 CO -0.40 -1.15 -0.39 0.00 0.00 0.00 0.00 179.25 177.31 2uua h ARG 57 N -0.94 -0.03 -0.60 0.00 3.08 -0.77 -0.54 114.38 114.58 2uua h ARG 57 Ca -0.05 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.06 2uua h ARG 57 Cb 0.84 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.81 2uua h ARG 57 CO -0.11 -0.02 -0.50 -0.92 -1.07 0.00 0.00 179.97 177.35 2uua h TYR 58 N -0.03 -1.57 -0.43 3.04 5.03 -0.40 0.17 116.97 122.78 2uua h TYR 58 Ca 0.32 0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.72 2uua h TYR 58 Cb 0.58 0.76 -0.02 0.00 1.55 0.00 0.00 36.73 39.60 2uua h TYR 58 CO -0.84 -0.38 0.28 -1.49 -1.32 0.00 0.00 178.16 174.41 2uua h TRP 59 N -0.18 0.54 -0.99 -3.82 4.06 -0.75 -1.21 115.95 113.60 2uua h TRP 59 Ca 0.10 0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.20 2uua h TRP 59 Cb 0.44 -0.18 -0.09 0.00 -1.00 0.00 0.00 29.16 28.33 2uua h TRP 59 CO -0.86 0.35 0.62 -0.07 -3.56 0.00 0.00 178.44 174.93 2uua h LEU 60 N 0.58 0.84 -2.15 -4.49 3.38 -0.61 0.32 115.31 113.18 2uua h LEU 60 Ca 0.16 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2uua h LEU 60 Cb -0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2uua h LEU 60 CO -0.03 0.41 -0.02 0.77 0.09 0.00 0.00 178.44 179.66 2uua h SER 61 N 0.88 0.00 -0.48 -0.43 4.64 0.53 -2.78 113.55 115.92 2uua h SER 61 Ca 0.51 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.57 2uua h SER 61 Cb 0.64 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.57 2uua h SER 61 CO -0.28 0.02 -0.01 1.33 -0.87 0.00 0.00 176.83 177.02 2uua n VAL 62 N -4.22 2.68 -0.00 0.95 0.24 0.10 -4.95 118.33 113.13 2uua n VAL 62 Ca -0.03 -2.78 0.00 0.00 -2.04 0.00 0.00 64.34 59.49 2uua n VAL 62 Cb 0.11 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 2uua n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uua n GLY 63 N -1.10 0.27 3.64 7.63 0.00 -1.02 -5.04 105.19 109.58 2uua n GLY 63 Ca 0.38 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.92 2uua n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua n ALA 64 N -1.82 0.42 -3.47 4.61 0.00 -0.49 -4.72 120.51 115.03 2uua n ALA 64 Ca 0.00 0.47 -0.35 0.00 0.00 0.00 0.00 53.44 53.56 2uua n ALA 64 Cb 0.00 -2.23 -0.14 0.00 0.00 0.00 0.00 19.45 17.08 2uua n ALA 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2uua s GLN 65 N 0.60 3.25 0.27 0.00 -1.52 -0.84 -4.53 119.66 116.90 2uua s GLN 65 Ca 0.80 -0.71 -0.19 0.00 -1.95 0.00 0.00 55.36 53.30 2uua s GLN 65 Cb -0.78 -3.07 -0.09 0.00 -0.22 0.00 0.00 33.01 28.85 2uua s GLN 65 CO 0.42 -0.27 0.77 -1.25 -0.25 0.00 0.00 175.29 174.71 2uua s PRO 66 N 1.46 4.23 1.03 2.91 0.04 -1.26 -1.83 135.00 141.59 2uua s PRO 66 Ca 0.04 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 2uua s PRO 66 Cb -0.15 -2.72 0.21 0.00 0.04 0.00 0.00 34.50 31.88 2uua s PRO 66 CO -0.02 0.30 1.09 0.99 0.04 0.00 0.00 177.00 179.39 2uua s THR 67 N -1.69 2.04 0.14 1.26 2.01 -0.61 -4.63 115.64 114.17 2uua s THR 67 Ca 0.48 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.35 2uua s THR 67 Cb -0.15 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.33 2uua s THR 67 CO 0.20 -0.02 1.62 0.44 -0.69 0.00 0.00 174.62 176.17 2uua h ASP 68 N -2.25 0.75 -0.26 3.53 3.32 -1.97 0.29 116.42 119.84 2uua h ASP 68 Ca -0.52 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.19 2uua h ASP 68 Cb 1.30 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 2uua h ASP 68 CO 0.45 0.83 -0.10 0.74 -1.72 0.00 0.00 179.24 179.44 2uua h THR 69 N 0.64 1.25 -0.06 0.35 2.02 -1.98 -1.57 112.91 113.56 2uua h THR 69 Ca 0.14 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 2uua h THR 69 Cb 0.40 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2uua h THR 69 CO 0.01 0.37 -0.00 0.00 0.37 0.00 0.00 175.52 176.26 2uua h ALA 70 N 1.29 0.08 -0.67 6.16 0.00 -1.79 -2.36 119.26 121.97 2uua h ALA 70 Ca 0.11 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2uua h ALA 70 Cb 0.53 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2uua h ALA 70 CO 0.03 -0.24 0.28 -0.09 0.00 0.00 0.00 179.25 179.24 2uua h ARG 71 N -0.20 0.46 -0.06 0.00 2.43 -0.24 0.26 114.38 117.03 2uua h ARG 71 Ca 0.02 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2uua h ARG 71 Cb 0.36 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 2uua h ARG 71 CO 0.00 0.30 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.40 2uua h ARG 72 N 0.47 -0.38 -0.86 0.20 2.43 -1.09 0.89 114.38 116.05 2uua h ARG 72 Ca 0.34 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2uua h ARG 72 Cb 0.43 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 2uua h ARG 72 CO -0.32 -0.25 0.47 -0.07 -1.51 0.00 0.00 179.97 178.29 2uua h LEU 73 N -0.39 1.08 -0.72 3.80 3.38 -0.88 -1.42 115.31 120.17 2uua h LEU 73 Ca 0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2uua h LEU 73 Cb 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2uua h LEU 73 CO -0.28 0.87 0.45 -0.07 0.09 0.00 0.00 178.44 179.50 2uua h LEU 74 N 1.21 0.86 -0.09 1.67 3.38 -0.15 -1.96 115.31 120.23 2uua h LEU 74 Ca 0.30 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2uua h LEU 74 Cb 0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2uua h LEU 74 CO -0.05 0.65 0.05 -0.09 0.09 0.00 0.00 178.44 179.10 2uua h ARG 75 N 0.98 0.12 -0.73 1.13 2.43 -0.24 -0.88 114.38 117.19 2uua h ARG 75 Ca 0.26 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.58 2uua h ARG 75 Cb -0.05 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 2uua h ARG 75 CO -0.05 0.13 0.50 0.37 -1.51 0.00 0.00 179.97 179.41 2uua h GLN 76 N 0.08 0.28 -0.20 0.20 4.15 -0.87 1.34 115.11 120.08 2uua h GLN 76 Ca 0.03 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2uua h GLN 76 Cb 0.04 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2uua h GLN 76 CO -0.01 0.18 0.00 0.00 -1.93 0.00 0.00 178.83 177.08 2uua n ALA 77 N -2.57 2.50 -2.94 3.38 0.00 -0.77 -4.91 120.51 115.20 2uua n ALA 77 Ca 0.14 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 2uua n ALA 77 Cb 0.61 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 19.04 2uua n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uua n GLY 78 N 0.98 0.28 0.11 0.00 0.00 0.46 -4.93 105.19 102.10 2uua n GLY 78 Ca 0.12 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2uua n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2uua h VAL 79 N -1.14 0.00 -0.00 1.61 2.07 -1.26 -3.32 116.25 114.21 2uua h VAL 79 Ca -0.25 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2uua h VAL 79 Cb 1.16 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2uua h VAL 79 CO 0.24 0.00 -0.32 0.49 0.02 0.00 0.00 177.57 178.00 2uua n PHE 80 N -2.36 0.00 -1.68 1.57 3.01 -1.26 -4.91 117.46 111.82 2uua n PHE 80 Ca 0.05 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.13 2uua n PHE 80 Cb 0.45 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.98 2uua n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2uua n ARG 81 N -0.95 1.14 0.00 -1.08 0.63 -1.25 -4.95 116.66 110.20 2uua n ARG 81 Ca 0.02 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2uua n ARG 81 Cb 0.14 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 30.67 2uua n ARG 81 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2uua n GLN 82 N -1.32 0.00 -0.96 -0.14 6.02 -1.26 -5.12 117.38 114.60 2uua n GLN 82 Ca 0.14 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.25 2uua n GLN 82 Cb 0.47 -0.41 -0.05 0.00 1.02 0.00 0.00 30.24 31.27 2uua n GLN 82 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2uua n GLU 83 N -2.77 -2.10 0.00 -1.09 -0.58 -1.26 -5.29 120.64 107.55 2uua n GLU 83 Ca 0.00 1.60 0.00 0.00 -0.42 0.00 0.00 57.16 58.34 2uua n GLU 83 Cb 0.35 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 2uua n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65