#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkt n GLY 5 N 0.00 5.31 3.60 0.62 0.00 -1.26 -4.20 105.19 109.26 1pkt n GLY 5 Ca 0.00 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1pkt n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pkt s TYR 6 N -0.69 2.84 -0.17 1.61 2.02 0.59 -4.59 117.35 118.95 1pkt s TYR 6 Ca 0.00 0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 57.19 1pkt s TYR 6 Cb 0.00 -4.37 -0.02 0.00 -0.40 0.00 0.00 41.96 37.17 1pkt s TYR 6 CO 0.00 -1.24 0.70 -0.65 -1.57 0.00 0.00 175.55 172.79 1pkt s GLN 7 N 4.37 4.27 0.42 -0.62 -0.21 -0.07 -2.43 119.66 125.37 1pkt s GLN 7 Ca 0.47 0.77 0.05 0.00 0.02 0.00 0.00 55.36 56.67 1pkt s GLN 7 Cb -0.08 -3.56 0.05 0.00 1.00 0.00 0.00 33.01 30.43 1pkt s GLN 7 CO 0.31 -0.22 0.46 0.66 -2.12 0.00 0.00 175.29 174.37 1pkt n TYR 8 N 4.93 -1.71 -4.77 0.91 4.01 -0.79 -2.18 117.16 117.55 1pkt n TYR 8 Ca 0.00 -1.63 -0.26 0.00 -0.16 0.00 0.00 57.90 55.85 1pkt n TYR 8 Cb 0.50 -0.37 -0.17 0.00 -0.31 0.00 0.00 39.34 38.99 1pkt n TYR 8 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1pkt s ARG 9 N -3.80 2.01 0.03 -0.72 3.52 -0.87 -1.65 118.95 117.47 1pkt s ARG 9 Ca 0.35 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 1pkt s ARG 9 Cb -0.03 -1.63 -0.07 0.00 -1.56 0.00 0.00 34.95 31.66 1pkt s ARG 9 CO 0.22 0.10 1.65 0.00 -0.81 0.00 0.00 175.30 176.46 1pkt s ALA 10 N 0.48 3.65 -0.26 6.12 0.00 -0.92 -1.42 121.76 129.41 1pkt s ALA 10 Ca -0.14 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1pkt s ALA 10 Cb -0.15 -3.71 -0.16 0.00 0.00 0.00 0.00 23.12 19.10 1pkt s ALA 10 CO 0.05 -1.19 -0.25 1.28 0.00 0.00 0.00 175.76 175.65 1pkt n LEU 11 N 6.08 2.73 0.00 0.00 4.77 -0.26 -2.92 117.00 127.40 1pkt n LEU 11 Ca 0.16 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1pkt n LEU 11 Cb 0.41 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1pkt n LEU 11 CO 0.63 0.85 0.00 -1.22 -1.33 0.00 0.00 177.39 176.32 1pkt n TYR 12 N -3.50 0.00 -4.58 -1.77 4.02 -0.99 -4.46 117.16 105.87 1pkt n TYR 12 Ca -0.48 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.15 1pkt n TYR 12 Cb 0.97 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.18 1pkt n TYR 12 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1pkt s ASP 13 N 1.00 3.36 -0.30 7.72 -4.77 -1.26 -1.07 116.67 121.35 1pkt s ASP 13 Ca 0.00 -1.44 -0.10 0.00 -3.30 0.00 0.00 52.55 47.71 1pkt s ASP 13 Cb 0.00 -0.08 0.17 0.00 -1.09 0.00 0.00 42.92 41.92 1pkt s ASP 13 CO 0.00 -0.60 0.88 -0.47 0.70 0.00 0.00 175.17 175.68 1pkt s TYR 14 N -2.96 -0.93 0.06 2.11 5.04 0.21 -4.83 117.35 116.05 1pkt s TYR 14 Ca 0.30 1.19 -0.30 0.00 -2.44 0.00 0.00 57.07 55.82 1pkt s TYR 14 Cb 0.08 0.40 -0.05 0.00 0.35 0.00 0.00 41.96 42.74 1pkt s TYR 14 CO 0.15 -0.49 0.96 0.15 -1.34 0.00 0.00 175.55 174.97 1pkt s LYS 15 N 2.79 4.64 -0.63 4.97 -0.14 -1.26 -1.62 119.74 128.48 1pkt s LYS 15 Ca 0.04 1.42 -0.39 0.00 -1.36 0.00 0.00 55.97 55.69 1pkt s LYS 15 Cb -0.11 -3.41 -0.19 0.00 -1.68 0.00 0.00 37.83 32.45 1pkt s LYS 15 CO -0.16 0.11 2.32 1.63 -0.76 0.00 0.00 175.35 178.49 1pkt n LYS 16 N 3.22 0.16 0.00 1.68 5.02 -1.26 -4.62 118.16 122.36 1pkt n LYS 16 Ca 0.04 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1pkt n LYS 16 Cb 0.50 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1pkt n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1pkt n GLU 17 N 7.92 0.82 -2.56 1.97 0.00 -1.26 -5.06 120.64 122.47 1pkt n GLU 17 Ca 0.56 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 57.35 1pkt n GLU 17 Cb 0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 31.44 30.76 1pkt n GLU 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1pkt s ARG 18 N -1.34 4.22 0.48 5.31 6.06 -1.26 -4.88 118.95 127.54 1pkt s ARG 18 Ca 0.00 1.51 0.37 0.00 -2.50 0.00 0.00 55.73 55.11 1pkt s ARG 18 Cb 0.00 -2.59 1.54 0.00 0.06 0.00 0.00 34.95 33.96 1pkt s ARG 18 CO 0.00 -0.09 1.62 1.05 -2.50 0.00 0.00 175.30 175.38 1pkt h GLU 19 N 2.61 0.05 -1.85 5.12 4.11 -2.01 -2.21 114.58 120.39 1pkt h GLU 19 Ca -0.48 -0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.47 1pkt h GLU 19 Cb 1.21 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.05 1pkt h GLU 19 CO 0.63 0.03 -1.13 -0.85 0.07 0.00 0.00 179.01 177.76 1pkt n GLU 20 N -4.42 1.31 -4.61 1.06 0.28 -1.26 -5.10 120.64 107.89 1pkt n GLU 20 Ca 0.39 -3.55 -0.30 0.00 -0.16 0.00 0.00 57.16 53.54 1pkt n GLU 20 Cb 1.60 -1.70 -0.09 0.00 1.43 0.00 0.00 31.44 32.68 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1pkt s ASP 21 N -2.69 4.04 0.46 -1.84 -4.77 -0.84 -1.43 116.67 109.61 1pkt s ASP 21 Ca 0.39 -1.45 0.03 0.00 -3.30 0.00 0.00 52.55 48.21 1pkt s ASP 21 Cb 0.36 -0.03 -0.01 0.00 -1.09 0.00 0.00 42.92 42.15 1pkt s ASP 21 CO -0.07 -0.63 0.08 0.27 0.70 0.00 0.00 175.17 175.52 1pkt s ILE 22 N -2.77 0.77 -0.49 2.11 -4.36 -0.65 -4.58 121.20 111.23 1pkt s ILE 22 Ca 0.24 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.39 1pkt s ILE 22 Cb 0.06 -2.22 0.03 0.00 1.25 0.00 0.00 42.46 41.58 1pkt s ILE 22 CO 0.13 0.00 0.91 -1.81 0.24 0.00 0.00 174.94 174.41 1pkt s ASP 23 N -3.73 6.44 0.04 4.36 1.11 -1.26 -4.11 116.67 119.52 1pkt s ASP 23 Ca 0.15 -0.05 -0.10 0.00 0.18 0.00 0.00 52.55 52.73 1pkt s ASP 23 Cb 0.01 -2.44 -0.05 0.00 1.07 0.00 0.00 42.92 41.51 1pkt s ASP 23 CO 0.09 -1.08 0.36 -0.76 1.18 0.00 0.00 175.17 174.96 1pkt s LEU 24 N 3.75 4.37 -0.22 1.23 2.01 -0.64 -4.89 118.68 124.29 1pkt s LEU 24 Ca 0.34 0.75 -0.11 0.00 0.01 0.00 0.00 54.13 55.11 1pkt s LEU 24 Cb -0.11 -2.82 0.07 0.00 0.01 0.00 0.00 46.19 43.34 1pkt s LEU 24 CO 0.24 0.22 0.53 -1.00 1.01 0.00 0.00 176.35 177.35 1pkt s HIS 25 N -1.32 -0.84 0.27 0.29 3.76 -1.20 -0.62 115.29 115.63 1pkt s HIS 25 Ca 0.30 1.69 -0.29 0.00 -0.15 0.00 0.00 55.06 56.60 1pkt s HIS 25 Cb -0.14 0.44 -0.14 0.00 1.11 0.00 0.00 32.58 33.85 1pkt s HIS 25 CO 0.16 -0.44 1.19 -0.11 -0.85 0.00 0.00 174.74 174.69 1pkt n LEU 26 N 4.47 2.46 0.00 0.89 0.00 -0.23 -1.99 117.00 122.59 1pkt n LEU 26 Ca -0.20 1.17 0.00 0.00 0.00 0.00 0.00 56.01 56.98 1pkt n LEU 26 Cb 0.56 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.62 1pkt n LEU 26 CO 0.03 -0.97 0.00 0.61 0.00 0.00 0.00 177.39 177.06 1pkt n GLY 27 N 1.45 2.72 3.96 -3.96 0.00 -1.15 -4.97 105.19 103.25 1pkt n GLY 27 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1pkt n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkt s ASP 28 N -1.41 4.82 0.04 1.61 1.01 -0.84 -4.91 116.67 116.99 1pkt s ASP 28 Ca 0.00 0.03 0.08 0.00 0.71 0.00 0.00 52.55 53.37 1pkt s ASP 28 Cb 0.00 -0.69 -0.03 0.00 1.01 0.00 0.00 42.92 43.21 1pkt s ASP 28 CO 0.00 -1.52 -0.22 -0.63 0.21 0.00 0.00 175.17 173.01 1pkt s ILE 29 N -3.04 2.51 0.04 0.77 -1.09 -1.26 -2.16 121.20 116.96 1pkt s ILE 29 Ca 0.61 -1.27 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1pkt s ILE 29 Cb -0.09 -2.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 1pkt s ILE 29 CO 0.42 0.35 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.72 1pkt s LEU 30 N -1.34 3.46 -0.47 2.97 1.43 -0.66 -2.45 118.68 121.62 1pkt s LEU 30 Ca 0.13 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1pkt s LEU 30 Cb -0.10 -2.07 0.14 0.00 0.03 0.00 0.00 46.19 44.19 1pkt s LEU 30 CO 0.04 0.24 0.29 -0.89 0.23 0.00 0.00 176.35 176.25 1pkt s THR 31 N -1.17 1.44 -0.33 5.49 2.01 -0.36 -1.88 115.64 120.85 1pkt s THR 31 Ca 0.22 -2.79 -0.15 0.00 0.31 0.00 0.00 61.69 59.28 1pkt s THR 31 Cb -0.12 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1pkt s THR 31 CO 0.13 -0.96 0.34 -0.69 -0.69 0.00 0.00 174.62 172.75 1pkt s VAL 32 N 0.07 5.19 0.02 3.82 1.01 -1.02 -1.71 120.40 127.78 1pkt s VAL 32 Ca 0.21 0.09 -0.33 0.00 0.00 0.00 0.00 61.98 61.95 1pkt s VAL 32 Cb -0.18 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 1pkt s VAL 32 CO -0.05 -0.03 1.86 0.59 0.00 0.00 0.00 175.10 177.47 1pkt n ASN 33 N 5.32 3.70 -4.55 3.32 4.13 -1.26 -0.30 115.26 125.62 1pkt n ASN 33 Ca -0.10 0.97 -0.24 0.00 1.68 0.00 0.00 54.58 56.89 1pkt n ASN 33 Cb 0.50 -1.45 -0.06 0.00 -1.54 0.00 0.00 39.78 37.22 1pkt n ASN 33 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1pkt n LYS 34 N 6.25 0.72 0.00 3.52 0.00 -1.26 -2.39 118.16 125.00 1pkt n LYS 34 Ca 0.20 -0.43 0.00 0.00 0.00 0.00 0.00 58.31 58.09 1pkt n LYS 34 Cb 0.34 -3.41 0.00 0.00 0.00 0.00 0.00 35.03 31.96 1pkt n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pkt n GLY 35 N 6.41 2.71 0.26 3.14 0.00 -1.26 -4.96 105.19 111.49 1pkt n GLY 35 Ca 0.44 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1pkt n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pkt h SER 36 N 0.00 -0.70 1.47 1.61 0.02 -1.86 0.35 113.55 114.44 1pkt h SER 36 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1pkt h SER 36 Cb 0.00 0.41 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1pkt h SER 36 CO 0.00 -0.23 -0.11 0.17 -1.14 0.00 0.00 176.83 175.52 1pkt h LEU 37 N -0.07 0.00 -0.03 5.07 8.10 -1.86 -3.01 115.31 123.51 1pkt h LEU 37 Ca 0.25 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.21 1pkt h LEU 37 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1pkt h LEU 37 CO -0.59 0.01 0.00 0.52 -4.11 0.00 0.00 178.44 174.28 1pkt n VAL 38 N -2.39 0.29 0.30 0.15 0.31 0.10 -2.92 118.33 114.17 1pkt n VAL 38 Ca 0.05 0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.43 1pkt n VAL 38 Cb 0.45 -0.62 0.18 0.00 -0.91 0.00 0.00 33.84 32.94 1pkt n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkt n ALA 39 N -1.55 1.41 0.21 3.52 0.00 -0.09 -1.85 120.51 122.15 1pkt n ALA 39 Ca 0.06 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1pkt n ALA 39 Cb 0.32 -1.13 0.45 0.00 0.00 0.00 0.00 19.45 19.09 1pkt n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pkt h LEU 40 N 0.00 0.00 0.00 0.00 3.38 -1.77 -3.45 115.31 113.46 1pkt h LEU 40 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pkt h LEU 40 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pkt h LEU 40 CO 0.00 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1pkt n GLY 41 N -0.35 0.49 3.24 0.83 0.00 -0.77 -5.13 105.19 103.49 1pkt n GLY 41 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1pkt n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pkt n PHE 42 N 0.00 -3.26 -5.24 1.61 3.72 -1.23 -5.01 117.46 108.05 1pkt n PHE 42 Ca 0.00 -0.63 -0.32 0.00 -0.05 0.00 0.00 57.45 56.45 1pkt n PHE 42 Cb 0.00 -1.40 -0.16 0.00 -0.94 0.00 0.00 39.48 36.98 1pkt n PHE 42 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1pkt s SER 43 N -2.85 3.14 -0.59 4.37 0.01 -1.26 -4.99 113.70 111.53 1pkt s SER 43 Ca 0.65 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 57.26 1pkt s SER 43 Cb -0.14 -0.83 -0.15 0.00 0.21 0.00 0.00 66.02 65.12 1pkt s SER 43 CO 0.56 0.25 1.53 -0.67 0.41 0.00 0.00 173.24 175.32 1pkt n ASP 44 N 2.89 -0.06 0.00 2.44 2.03 -1.26 -0.23 116.55 122.36 1pkt n ASP 44 Ca -0.17 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1pkt n ASP 44 Cb 0.52 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1pkt n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pkt n GLY 45 N 3.73 0.41 0.09 0.27 0.00 -1.26 -4.98 105.19 103.44 1pkt n GLY 45 Ca 0.39 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.43 1pkt n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pkt n GLN 46 N 0.00 0.62 -0.06 1.61 6.02 0.69 -4.16 117.38 122.10 1pkt n GLN 46 Ca 0.00 0.18 -0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1pkt n GLN 46 Cb 0.00 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.46 1pkt n GLN 46 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1pkt h GLU 47 N 0.00 0.26 0.00 -1.09 4.81 -1.94 -0.87 114.58 115.75 1pkt h GLU 47 Ca -0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1pkt h GLU 47 Cb 1.52 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1pkt h GLU 47 CO 0.04 0.17 0.15 0.00 -0.73 0.00 0.00 179.01 178.64 1pkt h ALA 48 N 1.12 1.11 -2.94 2.92 0.00 -1.97 -3.19 119.26 116.31 1pkt h ALA 48 Ca 0.10 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.33 1pkt h ALA 48 Cb 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.43 1pkt h ALA 48 CO -0.06 -0.11 -0.27 1.03 0.00 0.00 0.00 179.25 179.83 1pkt s ARG 49 N -3.57 2.97 0.08 0.00 3.00 -0.33 -4.18 118.95 116.92 1pkt s ARG 49 Ca -0.02 -3.30 -0.20 0.00 0.00 0.00 0.00 55.73 52.21 1pkt s ARG 49 Cb 0.06 -3.76 -0.10 0.00 0.00 0.00 0.00 34.95 31.16 1pkt s ARG 49 CO 0.19 -1.27 1.55 -1.00 0.00 0.00 0.00 175.30 174.78 1pkt h PRO 50 N 5.79 0.33 -0.97 3.54 0.13 -1.72 -2.92 132.00 136.19 1pkt h PRO 50 Ca 0.15 -0.09 0.31 0.00 -0.87 0.00 0.00 66.00 65.51 1pkt h PRO 50 Cb 0.79 -0.04 -0.16 0.00 0.13 0.00 0.00 31.00 31.72 1pkt h PRO 50 CO 0.80 0.47 0.39 1.05 -0.23 0.00 0.00 178.00 180.49 1pkt h GLU 51 N 0.13 0.17 -2.04 0.86 4.11 -1.80 0.52 114.58 116.52 1pkt h GLU 51 Ca 0.06 -0.01 -0.77 0.00 0.07 0.00 0.00 59.36 58.71 1pkt h GLU 51 Cb 0.30 -0.04 -0.27 0.00 0.50 0.00 0.00 28.75 29.24 1pkt h GLU 51 CO 0.00 0.11 1.04 0.39 0.07 0.00 0.00 179.01 180.62 1pkt n GLU 52 N -5.21 3.22 0.00 1.06 1.02 -1.10 -4.28 120.64 115.35 1pkt n GLU 52 Ca 0.29 -3.73 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 1pkt n GLU 52 Cb 0.94 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pkt n ILE 53 N -0.46 0.00 0.00 -3.67 5.41 0.18 -4.98 119.36 115.84 1pkt n ILE 53 Ca 0.53 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.28 1pkt n ILE 53 Cb 0.24 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 1pkt n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pkt n GLY 54 N 1.61 2.16 2.99 7.39 0.00 -1.19 -4.96 105.19 113.19 1pkt n GLY 54 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1pkt n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pkt s TRP 55 N 0.00 0.41 -0.01 1.61 0.52 -1.26 -1.80 118.94 118.40 1pkt s TRP 55 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.74 1pkt s TRP 55 Cb 0.00 -0.26 0.01 0.00 -1.15 0.00 0.00 33.47 32.07 1pkt s TRP 55 CO 0.00 -0.10 -0.01 -0.51 0.02 0.00 0.00 176.95 176.35 1pkt s LEU 56 N -1.10 1.76 -0.78 2.99 1.02 -0.55 -4.86 118.68 117.16 1pkt s LEU 56 Ca -0.09 -0.02 -0.21 0.00 0.02 0.00 0.00 54.13 53.83 1pkt s LEU 56 Cb -0.07 -0.10 0.09 0.00 0.02 0.00 0.00 46.19 46.13 1pkt s LEU 56 CO -0.00 -0.02 1.05 0.21 0.02 0.00 0.00 176.35 177.61 1pkt s ASN 57 N 0.26 6.36 0.46 2.29 2.47 -1.26 -1.72 114.94 123.81 1pkt s ASN 57 Ca -0.02 -1.42 0.05 0.00 0.42 0.00 0.00 52.86 51.89 1pkt s ASN 57 Cb -0.04 -2.42 -0.03 0.00 -1.45 0.00 0.00 41.25 37.31 1pkt s ASN 57 CO -0.01 -1.30 0.16 -0.83 -3.72 0.00 0.00 177.10 171.41 1pkt s GLY 58 N 3.73 2.53 -0.31 1.21 0.00 -0.33 -4.57 107.32 109.59 1pkt s GLY 58 Ca 0.27 -1.55 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 1pkt s GLY 58 CO 0.02 -2.01 0.02 -0.47 0.00 0.00 0.00 173.10 170.65 1pkt s TYR 59 N -2.72 3.35 -0.81 1.90 5.04 -0.69 -2.53 117.35 120.89 1pkt s TYR 59 Ca 0.30 -2.11 -0.26 0.00 -2.44 0.00 0.00 57.07 52.57 1pkt s TYR 59 Cb 0.03 -2.30 0.02 0.00 0.35 0.00 0.00 41.96 40.06 1pkt s TYR 59 CO 0.17 -0.85 1.45 -0.80 -1.34 0.00 0.00 175.55 174.18 1pkt s ASN 60 N 1.28 6.06 0.30 4.32 0.01 -0.53 -1.22 114.94 125.16 1pkt s ASN 60 Ca -0.03 -0.62 0.03 0.00 -0.71 0.00 0.00 52.86 51.53 1pkt s ASN 60 Cb -0.20 -2.56 0.62 0.00 0.41 0.00 0.00 41.25 39.52 1pkt s ASN 60 CO -0.03 -1.88 1.84 -0.33 -1.51 0.00 0.00 177.10 175.19 1pkt h GLU 61 N 10.71 0.89 -0.05 -0.60 3.07 -1.78 0.72 114.58 127.55 1pkt h GLU 61 Ca -0.13 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1pkt h GLU 61 Cb 1.05 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 1pkt h GLU 61 CO 1.31 0.59 -0.30 1.15 -1.40 0.00 0.00 179.01 180.36 1pkt h THR 62 N 0.92 0.00 -0.14 1.13 2.02 -1.89 -0.24 112.91 114.72 1pkt h THR 62 Ca 0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.68 1pkt h THR 62 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1pkt h THR 62 CO -0.27 0.00 0.00 0.35 0.37 0.00 0.00 175.52 175.97 1pkt n THR 63 N -4.13 0.19 -4.10 3.16 -2.24 -1.01 -4.91 114.28 101.24 1pkt n THR 63 Ca -0.04 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 1pkt n THR 63 Cb 0.21 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 1pkt n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkt n GLY 64 N 0.91 -0.46 3.07 3.38 0.00 0.25 -4.94 105.19 107.40 1pkt n GLY 64 Ca 0.11 0.25 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 1pkt n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pkt s GLU 65 N -7.09 0.83 -0.09 1.61 0.41 -0.98 -4.98 118.70 108.41 1pkt s GLU 65 Ca 0.21 -0.50 0.01 0.00 -0.41 0.00 0.00 54.97 54.28 1pkt s GLU 65 Cb -0.10 -0.80 -0.02 0.00 -1.78 0.00 0.00 34.13 31.42 1pkt s GLU 65 CO 0.95 0.21 -0.12 0.50 -0.49 0.00 0.00 175.26 176.31 1pkt s ARG 66 N -0.58 2.95 0.00 1.61 3.00 -1.26 -1.46 118.95 123.21 1pkt s ARG 66 Ca 0.02 -0.67 0.00 0.00 -1.00 0.00 0.00 55.73 54.09 1pkt s ARG 66 Cb -0.05 -2.53 0.00 0.00 0.00 0.00 0.00 34.95 32.37 1pkt s ARG 66 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 175.30 176.15 1pkt n GLY 67 N 2.85 -1.13 3.94 8.12 0.00 -1.05 -4.83 105.19 113.09 1pkt n GLY 67 Ca -0.18 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 1pkt n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkt s ASP 68 N -4.00 5.81 0.12 1.61 1.11 -0.51 -1.18 116.67 119.62 1pkt s ASP 68 Ca 0.00 -0.24 -0.25 0.00 0.18 0.00 0.00 52.55 52.25 1pkt s ASP 68 Cb 0.00 -1.27 0.07 0.00 1.07 0.00 0.00 42.92 42.79 1pkt s ASP 68 CO 0.00 -0.32 0.75 0.72 1.18 0.00 0.00 175.17 177.50 1pkt s PHE 69 N -2.18 -0.39 0.08 4.23 -0.12 -0.70 -1.64 117.98 117.27 1pkt s PHE 69 Ca 0.41 0.17 -0.31 0.00 -0.05 0.00 0.00 56.93 57.15 1pkt s PHE 69 Cb -0.08 0.58 -0.09 0.00 -0.63 0.00 0.00 43.02 42.79 1pkt s PHE 69 CO 0.29 -0.79 1.79 -1.25 -0.05 0.00 0.00 175.22 175.21 1pkt s PRO 70 N -3.51 4.16 0.31 1.99 0.05 -1.26 -1.48 135.00 135.26 1pkt s PRO 70 Ca 0.05 2.49 0.06 0.00 0.05 0.00 0.00 61.00 63.65 1pkt s PRO 70 Cb -0.02 -3.72 0.51 0.00 0.05 0.00 0.00 34.50 31.32 1pkt s PRO 70 CO -0.08 -0.83 1.75 0.78 0.05 0.00 0.00 177.00 178.67 1pkt h GLY 71 N 9.07 0.33 1.94 0.56 0.00 -1.56 -1.82 103.07 111.59 1pkt h GLY 71 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1pkt h GLY 71 CO 0.94 0.25 0.00 -1.30 0.00 0.00 0.00 176.54 176.43 1pkt n THR 72 N -4.10 1.23 0.70 4.70 -2.24 -1.26 -1.42 114.28 111.89 1pkt n THR 72 Ca -0.01 0.31 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 1pkt n THR 72 Cb 0.42 -1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 67.51 1pkt n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pkt n TYR 73 N -1.47 0.13 -3.67 4.78 4.02 -0.69 -4.89 117.16 115.38 1pkt n TYR 73 Ca 0.03 0.04 -0.23 0.00 -0.01 0.00 0.00 57.90 57.72 1pkt n TYR 73 Cb 0.11 -0.29 -0.01 0.00 -0.02 0.00 0.00 39.34 39.13 1pkt n TYR 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1pkt s VAL 74 N -3.14 2.11 -0.37 -0.72 -7.23 -0.50 -1.10 120.40 109.44 1pkt s VAL 74 Ca 0.05 -1.38 0.04 0.00 -1.81 0.00 0.00 61.98 58.87 1pkt s VAL 74 Cb 0.15 -2.50 0.16 0.00 0.56 0.00 0.00 36.38 34.75 1pkt s VAL 74 CO 0.82 0.00 0.41 -1.83 -0.31 0.00 0.00 175.10 174.19 1pkt s GLU 75 N -4.26 0.66 -0.28 4.82 -1.05 -0.51 -4.70 118.70 113.38 1pkt s GLU 75 Ca 0.43 -0.74 -0.41 0.00 -0.15 0.00 0.00 54.97 54.09 1pkt s GLU 75 Cb -0.03 -0.59 -0.19 0.00 -0.44 0.00 0.00 34.13 32.88 1pkt s GLU 75 CO 0.26 -1.19 1.30 0.98 0.95 0.00 0.00 175.26 177.56 1pkt n TYR 76 N 4.31 1.23 0.43 4.83 9.36 -1.26 -2.06 117.16 134.00 1pkt n TYR 76 Ca 0.11 1.04 0.05 0.00 3.32 0.00 0.00 57.90 62.41 1pkt n TYR 76 Cb 0.47 -2.03 0.02 0.00 -0.63 0.00 0.00 39.34 37.17 1pkt n TYR 76 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1pkt n ILE 77 N 2.81 0.00 0.00 2.97 2.08 -0.93 -4.83 119.36 121.46 1pkt n ILE 77 Ca 0.25 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1pkt n ILE 77 Cb -0.00 1.16 0.00 0.00 -0.75 0.00 0.00 39.64 40.04 1pkt n ILE 77 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pkt n GLY 78 N 0.75 0.78 0.50 7.39 0.00 -1.17 -5.05 105.19 108.39 1pkt n GLY 78 Ca 0.05 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.17 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86