#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 0.32 3.56 8.31 0.00 -1.26 -4.09 105.19 112.02 1pkt n GLY 5 Ca 0.00 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.09 2.42 -0.10 1.61 2.02 0.48 -4.35 117.35 119.34 1pkt s TYR 6 Ca 0.00 -0.52 -0.20 0.00 -0.37 0.00 0.00 57.07 55.98 1pkt s TYR 6 Cb 0.00 -4.65 -0.04 0.00 -0.40 0.00 0.00 41.96 36.87 1pkt s TYR 6 CO 0.00 -1.98 0.57 -0.65 -1.57 0.00 0.00 175.55 171.91 1pkt s GLN 7 N 5.31 4.38 0.58 -0.62 -0.21 -0.42 -2.02 119.66 126.66 1pkt s GLN 7 Ca 0.43 0.63 0.09 0.00 0.02 0.00 0.00 55.36 56.53 1pkt s GLN 7 Cb -0.03 -3.44 0.08 0.00 1.00 0.00 0.00 33.01 30.62 1pkt s GLN 7 CO -0.01 0.12 0.71 0.71 -2.12 0.00 0.00 175.29 174.70 1pkt s TYR 8 N 0.70 1.38 -0.06 0.91 2.02 -0.50 -2.28 117.35 119.52 1pkt s TYR 8 Ca 0.31 -0.77 0.05 0.00 -0.37 0.00 0.00 57.07 56.28 1pkt s TYR 8 Cb -0.16 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.25 1pkt s TYR 8 CO 0.13 -1.03 -0.20 0.50 -1.57 0.00 0.00 175.55 173.38 1pkt s ARG 9 N -4.59 2.62 0.21 -0.62 3.00 -0.80 -1.74 118.95 117.04 1pkt s ARG 9 Ca 0.55 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.73 54.17 1pkt s ARG 9 Cb -0.05 -2.28 -0.08 0.00 0.00 0.00 0.00 34.95 32.53 1pkt s ARG 9 CO 0.35 0.44 1.06 0.00 0.00 0.00 0.00 175.30 177.15 1pkt s ALA 10 N -0.30 3.37 0.00 6.12 0.00 0.07 -0.57 121.76 130.46 1pkt s ALA 10 Ca 0.01 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1pkt s ALA 10 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1pkt s ALA 10 CO 0.03 -0.10 0.00 1.47 0.00 0.00 0.00 175.76 177.15 1pkt n LEU 11 N 1.88 0.68 0.00 0.00 -0.00 -0.59 -1.70 117.00 117.27 1pkt n LEU 11 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1pkt n LEU 11 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1pkt n LEU 11 CO 0.53 0.11 0.00 -1.22 -0.00 0.00 0.00 177.39 176.81 1pkt n TYR 12 N -1.93 -0.34 -3.68 1.47 4.02 -1.10 -4.39 117.16 111.21 1pkt n TYR 12 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1pkt n TYR 12 Cb 0.43 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.58 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 -0.12 2.29 0.21 7.72 1.47 -1.26 0.16 116.67 127.13 1pkt s ASP 13 Ca 0.00 -0.53 0.04 0.00 1.18 0.00 0.00 52.55 53.25 1pkt s ASP 13 Cb 0.00 -0.38 -0.03 0.00 -0.34 0.00 0.00 42.92 42.17 1pkt s ASP 13 CO 0.00 -0.30 0.32 -0.47 0.68 0.00 0.00 175.17 175.40 1pkt s TYR 14 N 2.02 3.44 0.09 2.11 5.04 0.80 -4.89 117.35 125.96 1pkt s TYR 14 Ca 0.02 0.02 0.06 0.00 -2.44 0.00 0.00 57.07 54.72 1pkt s TYR 14 Cb -0.15 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.53 1pkt s TYR 14 CO -0.07 0.47 -0.05 -1.59 -1.34 0.00 0.00 175.55 172.97 1pkt s LYS 15 N -3.72 2.36 -1.41 4.97 0.00 -1.26 -1.95 119.74 118.72 1pkt s LYS 15 Ca 0.34 -0.92 -0.13 0.00 0.00 0.00 0.00 55.97 55.26 1pkt s LYS 15 Cb -0.10 -2.43 0.07 0.00 0.00 0.00 0.00 37.83 35.37 1pkt s LYS 15 CO 0.29 0.53 2.11 1.17 0.00 0.00 0.00 175.35 179.45 1pkt n LYS 16 N 0.69 3.05 -0.08 1.78 4.81 -1.26 -4.62 118.16 122.52 1pkt n LYS 16 Ca -0.12 -2.86 -0.11 0.00 -0.87 0.00 0.00 58.31 54.35 1pkt n LYS 16 Cb 0.52 -3.22 -0.06 0.00 0.02 0.00 0.00 35.03 32.30 1pkt n LYS 16 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1pkt h GLU 17 N 6.05 0.00 -6.82 1.64 4.22 -1.93 -3.46 114.58 114.28 1pkt h GLU 17 Ca 0.52 0.00 -0.48 0.00 0.08 0.00 0.00 59.36 59.48 1pkt h GLU 17 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1pkt h GLU 17 CO 1.80 0.41 0.35 1.03 -2.18 0.00 0.00 179.01 180.41 1pkt s ARG 18 N -2.21 4.70 0.00 1.92 3.00 -1.26 -4.90 118.95 120.20 1pkt s ARG 18 Ca -0.18 1.42 0.06 0.00 0.00 0.00 0.00 55.73 57.02 1pkt s ARG 18 Cb 0.03 -3.03 0.26 0.00 0.00 0.00 0.00 34.95 32.21 1pkt s ARG 18 CO 0.35 0.38 1.18 -0.85 0.00 0.00 0.00 175.30 176.36 1pkt n GLU 19 N 0.99 0.01 -0.74 3.54 0.28 -1.26 -1.34 120.64 122.12 1pkt n GLU 19 Ca 0.00 0.39 0.08 0.00 -0.16 0.00 0.00 57.16 57.47 1pkt n GLU 19 Cb 0.49 -1.50 0.36 0.00 1.43 0.00 0.00 31.44 32.21 1pkt n GLU 19 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1pkt n GLU 20 N -1.49 4.20 -4.56 3.44 -0.58 -1.26 -4.96 120.64 115.44 1pkt n GLU 20 Ca 0.02 -3.05 -0.26 0.00 -0.42 0.00 0.00 57.16 53.45 1pkt n GLU 20 Cb 0.07 -2.11 -0.10 0.00 -0.57 0.00 0.00 31.44 28.73 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1pkt s ASP 21 N -1.18 3.16 0.11 1.62 -4.77 -0.45 -1.96 116.67 113.21 1pkt s ASP 21 Ca 0.50 -1.46 0.05 0.00 -3.30 0.00 0.00 52.55 48.34 1pkt s ASP 21 Cb 0.39 0.01 -0.04 0.00 -1.09 0.00 0.00 42.92 42.19 1pkt s ASP 21 CO 0.14 -0.65 -0.12 0.27 0.70 0.00 0.00 175.17 175.51 1pkt s ILE 22 N -3.04 1.17 -0.33 2.11 -4.36 -0.32 -4.46 121.20 111.96 1pkt s ILE 22 Ca 0.29 -1.68 -0.28 0.00 -0.26 0.00 0.00 60.65 58.72 1pkt s ILE 22 Cb 0.07 -1.45 -0.02 0.00 1.25 0.00 0.00 42.46 42.31 1pkt s ILE 22 CO 0.14 -0.47 1.74 -1.81 0.24 0.00 0.00 174.94 174.77 1pkt s ASP 23 N -2.44 5.99 0.06 4.36 1.11 -1.26 -4.45 116.67 120.04 1pkt s ASP 23 Ca 0.07 1.28 0.02 0.00 0.18 0.00 0.00 52.55 54.10 1pkt s ASP 23 Cb -0.04 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 1pkt s ASP 23 CO 0.02 -1.63 0.10 -0.22 1.18 0.00 0.00 175.17 174.61 1pkt s LEU 24 N 6.55 3.89 -0.28 1.23 2.96 -0.82 -4.84 118.68 127.36 1pkt s LEU 24 Ca 0.77 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 54.58 1pkt s LEU 24 Cb -0.22 -2.49 0.08 0.00 0.50 0.00 0.00 46.19 44.06 1pkt s LEU 24 CO 0.33 0.20 0.70 -1.00 -1.32 0.00 0.00 176.35 175.26 1pkt s HIS 25 N -1.36 -1.05 0.17 5.38 3.76 -1.22 -0.14 115.29 120.83 1pkt s HIS 25 Ca 0.28 2.11 -0.31 0.00 -0.15 0.00 0.00 55.06 57.00 1pkt s HIS 25 Cb -0.12 0.62 -0.17 0.00 1.11 0.00 0.00 32.58 34.02 1pkt s HIS 25 CO 0.21 -0.52 0.81 -0.11 -0.85 0.00 0.00 174.74 174.28 1pkt n LEU 26 N 4.23 -0.09 0.00 0.89 7.94 0.42 -0.26 117.00 130.13 1pkt n LEU 26 Ca -0.20 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1pkt n LEU 26 Cb 0.59 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.50 1pkt n LEU 26 CO -0.02 -2.26 0.00 0.61 -1.11 0.00 0.00 177.39 174.61 1pkt n GLY 27 N 1.80 0.85 3.74 -3.96 0.00 -0.69 -4.90 105.19 102.02 1pkt n GLY 27 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1pkt n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkt s ASP 28 N -3.00 6.78 -0.03 1.61 -1.08 0.64 -4.83 116.67 116.76 1pkt s ASP 28 Ca 0.00 0.94 -0.22 0.00 -0.52 0.00 0.00 52.55 52.75 1pkt s ASP 28 Cb 0.00 -2.31 -0.05 0.00 -1.46 0.00 0.00 42.92 39.10 1pkt s ASP 28 CO 0.00 0.03 0.63 -0.63 0.52 0.00 0.00 175.17 175.72 1pkt s ILE 29 N 0.38 4.96 -0.08 4.11 -1.09 -1.26 -0.75 121.20 127.46 1pkt s ILE 29 Ca 0.28 1.32 -0.01 0.00 -2.23 0.00 0.00 60.65 60.01 1pkt s ILE 29 Cb -0.16 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1pkt s ILE 29 CO 0.13 0.35 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.42 1pkt s LEU 30 N 0.20 3.49 -0.39 2.97 1.02 -0.71 -1.86 118.68 123.40 1pkt s LEU 30 Ca 0.33 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.59 1pkt s LEU 30 Cb -0.18 -1.79 0.11 0.00 0.02 0.00 0.00 46.19 44.35 1pkt s LEU 30 CO 0.17 0.37 0.15 -0.89 0.02 0.00 0.00 176.35 176.18 1pkt s THR 31 N -0.85 2.85 -0.58 5.49 2.01 -0.24 -1.40 115.64 122.92 1pkt s THR 31 Ca 0.13 -2.27 -0.08 0.00 0.31 0.00 0.00 61.69 59.79 1pkt s THR 31 Cb -0.11 -3.00 0.15 0.00 0.01 0.00 0.00 72.50 69.54 1pkt s THR 31 CO 0.02 -0.66 0.44 -0.69 -0.69 0.00 0.00 174.62 173.03 1pkt s VAL 32 N 0.94 4.24 0.17 3.82 1.01 -0.86 -1.31 120.40 128.42 1pkt s VAL 32 Ca 0.10 -2.28 -0.32 0.00 0.00 0.00 0.00 61.98 59.49 1pkt s VAL 32 Cb -0.21 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.25 1pkt s VAL 32 CO -0.06 -0.85 0.97 0.59 0.00 0.00 0.00 175.10 175.75 1pkt n ASN 33 N 4.30 0.51 -4.76 3.32 3.02 -1.26 -0.39 115.26 120.00 1pkt n ASN 33 Ca 0.01 1.15 -0.31 0.00 -0.03 0.00 0.00 54.58 55.40 1pkt n ASN 33 Cb 0.41 -1.12 0.10 0.00 -0.61 0.00 0.00 39.78 38.56 1pkt n ASN 33 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1pkt s LYS 34 N -0.67 2.15 0.00 3.52 -2.85 -1.26 -3.65 119.74 116.97 1pkt s LYS 34 Ca 0.71 1.10 0.00 0.00 -1.00 0.00 0.00 55.97 56.78 1pkt s LYS 34 Cb -0.91 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 1pkt s LYS 34 CO 0.55 -1.70 0.00 0.41 0.10 0.00 0.00 175.35 174.71 1pkt n GLY 35 N -1.25 1.92 0.34 0.59 0.00 -1.26 -4.52 105.19 101.00 1pkt n GLY 35 Ca 0.09 -0.22 0.21 0.00 0.00 0.00 0.00 46.02 46.10 1pkt n GLY 35 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pkt h SER 36 N 0.00 0.00 0.77 1.61 0.87 -1.95 0.19 113.55 115.04 1pkt h SER 36 Ca 0.00 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.32 1pkt h SER 36 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1pkt h SER 36 CO 0.00 0.00 -1.34 0.25 -0.53 0.00 0.00 176.83 175.21 1pkt h LEU 37 N 0.00 0.00 -0.40 2.23 5.85 -1.79 -3.25 115.31 117.94 1pkt h LEU 37 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pkt h LEU 37 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1pkt h LEU 37 CO -0.00 0.93 -0.03 0.52 -0.34 0.00 0.00 178.44 179.52 1pkt n VAL 38 N -3.16 0.00 1.34 1.05 0.31 0.58 -3.63 118.33 114.83 1pkt n VAL 38 Ca -0.09 -0.10 0.11 0.00 -0.01 0.00 0.00 64.34 64.25 1pkt n VAL 38 Cb 0.97 -0.04 0.64 0.00 -0.91 0.00 0.00 33.84 34.51 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 -0.57 2.30 -0.48 3.52 0.00 -0.69 -2.43 120.51 122.16 1pkt n ALA 39 Ca 0.20 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1pkt n ALA 39 Cb 0.24 -1.36 0.29 0.00 0.00 0.00 0.00 19.45 18.63 1pkt n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pkt n LEU 40 N -1.02 4.02 -0.49 0.00 7.99 -1.24 -4.92 117.00 121.34 1pkt n LEU 40 Ca 0.16 -2.27 0.00 0.00 -0.01 0.00 0.00 56.01 53.89 1pkt n LEU 40 Cb 0.08 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1pkt n LEU 40 CO 0.13 0.83 0.00 0.61 -1.51 0.00 0.00 177.39 177.45 1pkt n GLY 41 N 0.97 0.95 0.00 -0.72 0.00 -1.02 -5.05 105.19 100.31 1pkt n GLY 41 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.53 -2.93 -4.45 1.61 3.01 -1.25 -5.08 117.46 105.84 1pkt n PHE 42 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 1pkt n PHE 42 Cb 0.50 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.86 1pkt n PHE 42 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1pkt s SER 43 N -1.38 2.81 -0.68 4.37 1.04 -1.26 -5.04 113.70 113.55 1pkt s SER 43 Ca 0.00 -1.24 -0.26 0.00 0.48 0.00 0.00 55.95 54.93 1pkt s SER 43 Cb 0.00 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1pkt s SER 43 CO 0.00 -0.39 1.74 -0.62 0.98 0.00 0.00 173.24 174.94 1pkt s ASP 44 N -3.47 5.48 0.00 7.02 -1.08 -1.26 -2.16 116.67 121.20 1pkt s ASP 44 Ca 0.31 0.00 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 1pkt s ASP 44 Cb 0.05 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1pkt s ASP 44 CO 0.13 -2.28 0.00 0.61 0.52 0.00 0.00 175.17 174.15 1pkt n GLY 45 N 5.80 1.06 0.11 2.66 0.00 -1.26 -4.97 105.19 108.58 1pkt n GLY 45 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1pkt n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pkt h GLN 46 N 0.00 0.00 0.00 1.61 4.20 -1.82 -3.32 115.11 115.79 1pkt h GLN 46 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pkt h GLN 46 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1pkt h GLN 46 CO 0.00 0.10 0.00 -0.85 -0.67 0.00 0.00 178.83 177.41 1pkt n GLU 47 N -2.75 0.05 0.00 1.46 0.28 -1.26 -1.57 120.64 116.84 1pkt n GLU 47 Ca -0.03 0.30 0.07 0.00 -0.16 0.00 0.00 57.16 57.33 1pkt n GLU 47 Cb 0.65 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 32.01 1pkt n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pkt n ALA 48 N -1.41 3.06 -3.49 -1.84 0.00 -1.25 -4.69 120.51 110.90 1pkt n ALA 48 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 1pkt n ALA 48 Cb 0.09 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 1pkt n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pkt n ARG 49 N -0.24 2.57 -0.13 0.00 5.12 -0.61 -4.42 116.66 118.95 1pkt n ARG 49 Ca 0.05 -4.63 0.17 0.00 -1.93 0.00 0.00 57.85 51.52 1pkt n ARG 49 Cb 0.28 -2.29 0.55 0.00 -1.16 0.00 0.00 32.46 29.84 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1pkt h PRO 50 N 4.58 0.30 -0.73 5.56 0.11 -1.82 0.28 132.00 140.28 1pkt h PRO 50 Ca 0.19 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1pkt h PRO 50 Cb 0.68 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 1pkt h PRO 50 CO 0.86 0.20 0.21 1.05 -0.21 0.00 0.00 178.00 180.11 1pkt h GLU 51 N 0.31 1.15 -0.10 1.05 4.11 -1.90 -1.28 114.58 117.92 1pkt h GLU 51 Ca 0.35 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1pkt h GLU 51 Cb 0.93 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1pkt h GLU 51 CO -0.09 0.99 0.00 0.39 0.07 0.00 0.00 179.01 180.37 1pkt n GLU 52 N -4.25 1.41 -0.11 1.06 1.02 0.02 -3.96 120.64 115.82 1pkt n GLU 52 Ca 0.06 -0.61 -0.20 0.00 -0.02 0.00 0.00 57.16 56.38 1pkt n GLU 52 Cb 0.24 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 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 -0.16 1.51 0.00 -3.67 5.41 -0.51 -5.05 119.36 116.89 1pkt n ILE 53 Ca 0.14 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1pkt n ILE 53 Cb 0.21 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 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 1.41 2.42 3.07 7.39 0.00 -1.02 -5.01 105.19 113.44 1pkt n GLY 54 Ca -0.33 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 0.82 0.05 1.61 0.52 -1.26 -2.15 118.94 118.52 1pkt s TRP 55 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.72 1pkt s TRP 55 Cb 0.00 -0.49 -0.03 0.00 -1.15 0.00 0.00 33.47 31.80 1pkt s TRP 55 CO 0.00 -0.03 -0.02 -0.51 0.02 0.00 0.00 176.95 176.41 1pkt s LEU 56 N -1.23 2.39 -0.31 2.99 1.02 -0.66 -4.86 118.68 118.03 1pkt s LEU 56 Ca -0.04 -0.89 -0.02 0.00 0.02 0.00 0.00 54.13 53.19 1pkt s LEU 56 Cb -0.08 0.23 0.05 0.00 0.02 0.00 0.00 46.19 46.41 1pkt s LEU 56 CO 0.01 -0.55 0.03 0.21 0.02 0.00 0.00 176.35 176.06 1pkt s ASN 57 N -2.66 4.97 0.00 2.29 3.84 -1.26 -1.04 114.94 121.08 1pkt s ASN 57 Ca 0.03 -1.30 0.00 0.00 0.21 0.00 0.00 52.86 51.80 1pkt s ASN 57 Cb 0.05 -1.74 0.00 0.00 -0.55 0.00 0.00 41.25 39.01 1pkt s ASN 57 CO -0.08 -0.29 0.00 0.61 -2.79 0.00 0.00 177.10 174.55 1pkt n GLY 58 N 4.65 5.89 2.93 1.21 0.00 -0.77 -4.69 105.19 114.40 1pkt n GLY 58 Ca -0.12 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1pkt n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pkt s TYR 59 N -0.45 2.01 -0.84 1.61 5.04 -0.43 -2.50 117.35 121.80 1pkt s TYR 59 Ca 0.00 -1.34 -0.26 0.00 -2.44 0.00 0.00 57.07 53.04 1pkt s TYR 59 Cb 0.00 -1.45 0.04 0.00 0.35 0.00 0.00 41.96 40.89 1pkt s TYR 59 CO 0.00 -0.68 1.36 -0.80 -1.34 0.00 0.00 175.55 174.09 1pkt s ASN 60 N 1.53 6.26 0.23 4.32 -0.87 -0.49 -1.07 114.94 124.85 1pkt s ASN 60 Ca -0.01 -0.80 -0.08 0.00 -1.57 0.00 0.00 52.86 50.41 1pkt s ASN 60 Cb -0.16 -2.56 0.21 0.00 -0.02 0.00 0.00 41.25 38.72 1pkt s ASN 60 CO -0.08 -1.74 1.90 -0.33 -2.57 0.00 0.00 177.10 174.28 1pkt h GLU 61 N 10.04 1.20 -0.02 -0.60 5.08 -1.64 1.31 114.58 129.96 1pkt h GLU 61 Ca -0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1pkt h GLU 61 Cb 1.04 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1pkt h GLU 61 CO 1.33 0.81 0.04 1.15 -1.00 0.00 0.00 179.01 181.35 1pkt h THR 62 N 1.23 0.20 0.00 1.13 2.02 -1.89 -1.44 112.91 114.17 1pkt h THR 62 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1pkt h THR 62 Cb -0.11 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1pkt h THR 62 CO -0.07 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.17 1pkt n THR 63 N -3.37 0.59 -3.88 3.16 -2.24 -0.22 -4.98 114.28 103.34 1pkt n THR 63 Ca -0.03 -0.78 -0.31 0.00 -2.27 0.00 0.00 64.05 60.67 1pkt n THR 63 Cb 0.12 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.30 -0.45 3.77 3.38 0.00 0.43 -4.91 105.19 107.12 1pkt n GLY 64 Ca 0.00 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1pkt n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pkt s GLU 65 N -6.55 2.21 -0.19 1.61 2.56 -0.82 -4.95 118.70 112.57 1pkt s GLU 65 Ca 0.60 -2.03 -0.11 0.00 0.00 0.00 0.00 54.97 53.43 1pkt s GLU 65 Cb -0.33 -1.88 0.06 0.00 2.00 0.00 0.00 34.13 33.98 1pkt s GLU 65 CO 0.73 -0.28 0.47 0.50 -0.56 0.00 0.00 175.26 176.12 1pkt s ARG 66 N -3.97 0.47 0.00 4.30 3.52 -1.26 -1.40 118.95 120.61 1pkt s ARG 66 Ca 0.31 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1pkt s ARG 66 Cb 0.02 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1pkt s ARG 66 CO 0.18 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.93 1pkt n GLY 67 N 4.15 -0.55 3.95 8.12 0.00 -1.04 -4.83 105.19 115.00 1pkt n GLY 67 Ca -0.22 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 5.72 -0.17 1.61 1.01 -0.83 -1.84 116.67 118.17 1pkt s ASP 68 Ca 0.00 0.26 -0.31 0.00 0.71 0.00 0.00 52.55 53.21 1pkt s ASP 68 Cb 0.00 -1.43 0.14 0.00 1.01 0.00 0.00 42.92 42.64 1pkt s ASP 68 CO 0.00 -0.80 1.09 0.72 0.21 0.00 0.00 175.17 176.39 1pkt s PHE 69 N -2.62 -0.26 0.09 4.23 -0.71 -0.21 -1.17 117.98 117.33 1pkt s PHE 69 Ca 0.50 0.36 -0.31 0.00 -1.04 0.00 0.00 56.93 56.45 1pkt s PHE 69 Cb -0.10 0.48 -0.10 0.00 -1.21 0.00 0.00 43.02 42.10 1pkt s PHE 69 CO 0.38 -0.28 1.85 -2.14 -1.34 0.00 0.00 175.22 173.70 1pkt s PRO 70 N -1.59 4.14 0.27 1.99 0.02 -1.26 -1.65 135.00 136.92 1pkt s PRO 70 Ca 0.03 2.57 0.10 0.00 0.02 0.00 0.00 61.00 63.72 1pkt s PRO 70 Cb -0.01 -3.79 0.35 0.00 0.02 0.00 0.00 34.50 31.08 1pkt s PRO 70 CO -0.03 -0.87 1.61 0.78 -0.33 0.00 0.00 177.00 178.16 1pkt h GLY 71 N 9.31 0.03 1.79 0.52 0.00 -1.59 -2.61 103.07 110.52 1pkt h GLY 71 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1pkt h GLY 71 CO 0.94 0.03 0.00 -1.30 0.00 0.00 0.00 176.54 176.22 1pkt n THR 72 N -3.82 1.02 -0.27 4.70 -2.24 -1.23 -1.52 114.28 110.92 1pkt n THR 72 Ca -0.01 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1pkt n THR 72 Cb 0.61 -1.08 0.31 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.39 1.03 -3.60 4.78 4.02 -0.98 -4.89 117.16 116.12 1pkt n TYR 73 Ca 0.04 -0.49 0.00 0.00 -0.01 0.00 0.00 57.90 57.44 1pkt n TYR 73 Cb 0.10 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 1pkt n TYR 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1pkt n VAL 74 N 1.46 0.00 -3.20 -0.72 0.24 -0.58 -1.54 118.33 113.99 1pkt n VAL 74 Ca 0.24 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.55 1pkt n VAL 74 Cb 0.64 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.00 1pkt n VAL 74 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1pkt s GLU 75 N -0.79 0.80 -0.43 7.34 -1.05 0.27 -4.77 118.70 120.06 1pkt s GLU 75 Ca 0.00 -0.19 -0.42 0.00 -0.15 0.00 0.00 54.97 54.21 1pkt s GLU 75 Cb 0.00 0.11 -0.18 0.00 -0.44 0.00 0.00 34.13 33.62 1pkt s GLU 75 CO 0.00 -1.18 1.42 0.98 0.95 0.00 0.00 175.26 177.44 1pkt n TYR 76 N 4.50 1.54 0.03 4.83 9.36 -1.26 -1.90 117.16 134.27 1pkt n TYR 76 Ca 0.10 1.04 0.07 0.00 3.32 0.00 0.00 57.90 62.44 1pkt n TYR 76 Cb 0.57 -2.02 -0.11 0.00 -0.63 0.00 0.00 39.34 37.15 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 3.50 0.00 0.00 2.97 2.08 -0.97 -4.84 119.36 122.09 1pkt n ILE 77 Ca 0.28 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.26 1pkt n ILE 77 Cb -0.05 0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 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 1.65 0.31 0.05 7.39 0.00 -1.19 -5.04 105.19 108.37 1pkt n GLY 78 Ca -0.02 -1.29 0.16 0.00 0.00 0.00 0.00 46.02 44.86 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86