#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkt s GLY 5 N 0.00 2.23 -0.26 -1.84 0.00 -1.26 -3.92 107.32 102.27 1pkt s GLY 5 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 44.72 44.15 1pkt s GLY 5 CO 0.00 -0.14 1.06 -0.19 0.00 0.00 0.00 173.10 173.83 1pkt s TYR 6 N -1.87 3.26 -0.29 1.90 1.51 0.24 -4.80 117.35 117.30 1pkt s TYR 6 Ca 0.48 1.37 -0.10 0.00 -1.01 0.00 0.00 57.07 57.80 1pkt s TYR 6 Cb -0.11 -3.42 -0.03 0.00 -0.11 0.00 0.00 41.96 38.29 1pkt s TYR 6 CO 0.22 -0.62 0.17 -0.65 -1.11 0.00 0.00 175.55 173.57 1pkt s GLN 7 N 3.36 3.67 0.48 -0.62 1.11 -0.67 -1.14 119.66 125.85 1pkt s GLN 7 Ca 0.45 -0.50 0.08 0.00 0.01 0.00 0.00 55.36 55.40 1pkt s GLN 7 Cb -0.14 -3.61 0.04 0.00 -1.01 0.00 0.00 33.01 28.29 1pkt s GLN 7 CO 0.09 -0.29 0.66 0.71 0.01 0.00 0.00 175.29 176.48 1pkt s TYR 8 N 1.69 2.32 -0.22 0.91 2.02 -0.77 -1.78 117.35 121.52 1pkt s TYR 8 Ca 0.06 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1pkt s TYR 8 Cb -0.16 -2.35 0.03 0.00 -0.40 0.00 0.00 41.96 39.08 1pkt s TYR 8 CO 0.08 -0.71 -0.13 1.03 -1.57 0.00 0.00 175.55 174.26 1pkt s ARG 9 N -4.49 2.82 -0.40 -0.62 0.52 -0.87 -2.45 118.95 113.46 1pkt s ARG 9 Ca 0.58 -0.96 -0.38 0.00 -0.52 0.00 0.00 55.73 54.44 1pkt s ARG 9 Cb -0.08 -2.80 -0.14 0.00 0.52 0.00 0.00 34.95 32.45 1pkt s ARG 9 CO 0.35 -0.34 2.18 0.00 0.02 0.00 0.00 175.30 177.51 1pkt n ALA 10 N 4.61 0.81 -0.01 2.13 0.00 -0.50 -1.39 120.51 126.17 1pkt n ALA 10 Ca -0.18 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 1pkt n ALA 10 Cb 0.48 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.38 1pkt n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pkt n LEU 11 N 9.14 2.37 0.00 0.00 4.77 -0.43 -1.93 117.00 130.92 1pkt n LEU 11 Ca 0.46 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1pkt n LEU 11 Cb 0.15 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1pkt n LEU 11 CO 0.80 0.79 0.00 -1.22 -1.33 0.00 0.00 177.39 176.43 1pkt n TYR 12 N -3.40 0.00 -4.37 -1.77 4.02 -1.06 -4.51 117.16 106.08 1pkt n TYR 12 Ca -0.30 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.42 1pkt n TYR 12 Cb 1.05 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.33 1pkt n TYR 12 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pkt n ASP 13 N -0.17 2.19 0.00 7.72 5.68 -1.26 -1.14 116.55 129.57 1pkt n ASP 13 Ca 0.00 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1pkt n ASP 13 Cb 0.00 0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1pkt n ASP 13 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pkt n TYR 14 N -0.63 0.00 -2.19 2.11 9.36 -0.65 -4.81 117.16 120.34 1pkt n TYR 14 Ca -0.09 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.82 1pkt n TYR 14 Cb 0.35 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.04 1pkt n TYR 14 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1pkt s LYS 15 N 0.00 3.78 -0.94 2.98 -0.14 -1.26 -1.54 119.74 122.61 1pkt s LYS 15 Ca 0.00 0.91 -0.24 0.00 -1.36 0.00 0.00 55.97 55.28 1pkt s LYS 15 Cb 0.00 -2.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.99 1pkt s LYS 15 CO 0.00 -0.42 1.93 0.15 -0.76 0.00 0.00 175.35 176.25 1pkt s LYS 16 N -4.43 2.58 0.00 1.68 1.02 -1.26 -4.81 119.74 114.53 1pkt s LYS 16 Ca 0.58 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1pkt s LYS 16 Cb -0.11 -5.09 0.00 0.00 -0.52 0.00 0.00 37.83 32.11 1pkt s LYS 16 CO 0.39 -3.42 0.37 -1.91 -0.92 0.00 0.00 175.35 169.86 1pkt n GLU 17 N 8.78 0.00 -1.61 1.68 2.13 -1.26 -4.81 120.64 125.55 1pkt n GLU 17 Ca 0.41 0.39 -0.32 0.00 0.66 0.00 0.00 57.16 58.29 1pkt n GLU 17 Cb 0.47 -1.10 0.06 0.00 0.27 0.00 0.00 31.44 31.14 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pkt s ARG 18 N -1.52 2.64 -1.28 5.31 0.52 -1.26 -4.87 118.95 118.49 1pkt s ARG 18 Ca 0.00 1.32 -0.16 0.00 -0.52 0.00 0.00 55.73 56.37 1pkt s ARG 18 Cb 0.00 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.53 1pkt s ARG 18 CO 0.00 -1.36 2.14 -1.91 0.02 0.00 0.00 175.30 174.18 1pkt n GLU 19 N -2.75 2.52 0.00 3.54 2.13 -1.26 -2.71 120.64 122.10 1pkt n GLU 19 Ca 0.10 -2.43 0.00 0.00 0.66 0.00 0.00 57.16 55.49 1pkt n GLU 19 Cb 0.52 -3.21 0.00 0.00 0.27 0.00 0.00 31.44 29.02 1pkt n GLU 19 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pkt n GLU 20 N 6.41 0.00 -1.28 5.31 1.02 -1.26 -5.12 120.64 125.72 1pkt n GLU 20 Ca 0.51 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.37 1pkt n GLU 20 Cb 0.40 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 31.99 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1pkt s ASP 21 N 0.00 2.76 0.37 1.62 1.47 -1.10 -1.78 116.67 120.01 1pkt s ASP 21 Ca 0.00 1.06 0.08 0.00 1.18 0.00 0.00 52.55 54.87 1pkt s ASP 21 Cb 0.00 -1.68 -0.07 0.00 -0.34 0.00 0.00 42.92 40.83 1pkt s ASP 21 CO 0.00 -3.03 -0.03 0.27 0.68 0.00 0.00 175.17 173.06 1pkt s ILE 22 N -3.08 2.01 -0.36 2.11 -4.36 -0.78 -4.63 121.20 112.11 1pkt s ILE 22 Ca 0.65 -2.09 -0.29 0.00 -0.26 0.00 0.00 60.65 58.67 1pkt s ILE 22 Cb -0.17 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.74 1pkt s ILE 22 CO 0.56 -0.10 1.47 -1.81 0.24 0.00 0.00 174.94 175.30 1pkt s ASP 23 N -3.63 6.33 -0.00 4.36 1.11 -1.26 -4.26 116.67 119.31 1pkt s ASP 23 Ca 0.34 1.04 -0.06 0.00 0.18 0.00 0.00 52.55 54.05 1pkt s ASP 23 Cb 0.07 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 1pkt s ASP 23 CO 0.17 -1.40 0.25 -0.76 1.18 0.00 0.00 175.17 174.61 1pkt s LEU 24 N 5.44 4.37 -0.27 1.23 2.01 -0.59 -4.96 118.68 125.91 1pkt s LEU 24 Ca 0.64 0.53 -0.23 0.00 0.01 0.00 0.00 54.13 55.08 1pkt s LEU 24 Cb -0.17 -2.63 0.07 0.00 0.01 0.00 0.00 46.19 43.48 1pkt s LEU 24 CO 0.31 0.26 0.71 -1.38 1.01 0.00 0.00 176.35 177.27 1pkt s HIS 25 N -1.28 -0.84 0.25 0.29 0.00 -1.17 -1.63 115.29 110.90 1pkt s HIS 25 Ca 0.27 1.97 -0.31 0.00 -3.00 0.00 0.00 55.06 53.98 1pkt s HIS 25 Cb -0.13 0.34 -0.13 0.00 -4.00 0.00 0.00 32.58 28.66 1pkt s HIS 25 CO 0.16 -0.41 1.55 -0.11 -1.00 0.00 0.00 174.74 174.93 1pkt n LEU 26 N 2.99 3.73 0.00 5.38 7.94 -0.29 -1.62 117.00 135.13 1pkt n LEU 26 Ca -0.15 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1pkt n LEU 26 Cb 0.56 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1pkt n LEU 26 CO 0.02 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 176.80 1pkt n GLY 27 N 2.59 2.81 3.77 -3.96 0.00 -0.81 -4.99 105.19 104.59 1pkt n GLY 27 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.10 3.13 0.18 1.61 1.11 -0.64 -4.82 116.67 117.13 1pkt s ASP 28 Ca 0.00 0.88 0.09 0.00 0.18 0.00 0.00 52.55 53.70 1pkt s ASP 28 Cb 0.00 -1.37 -0.04 0.00 1.07 0.00 0.00 42.92 42.57 1pkt s ASP 28 CO 0.00 -2.78 -0.20 -0.63 1.18 0.00 0.00 175.17 172.74 1pkt s ILE 29 N -3.28 1.98 -0.11 0.77 -1.09 -1.26 -1.41 121.20 116.80 1pkt s ILE 29 Ca 0.66 -1.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.12 1pkt s ILE 29 Cb -0.13 -1.94 0.02 0.00 -1.58 0.00 0.00 42.46 38.83 1pkt s ILE 29 CO 0.54 -0.27 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.10 1pkt s LEU 30 N -2.70 1.53 -0.73 2.97 1.02 -1.03 -3.47 118.68 116.27 1pkt s LEU 30 Ca 0.18 -0.37 -0.13 0.00 0.02 0.00 0.00 54.13 53.82 1pkt s LEU 30 Cb -0.06 -0.98 0.19 0.00 0.02 0.00 0.00 46.19 45.36 1pkt s LEU 30 CO 0.08 -0.04 0.65 -0.89 0.02 0.00 0.00 176.35 176.17 1pkt s THR 31 N 1.25 5.25 -0.28 5.49 2.01 -0.77 -1.85 115.64 126.74 1pkt s THR 31 Ca -0.02 -2.29 -0.20 0.00 0.31 0.00 0.00 61.69 59.50 1pkt s THR 31 Cb -0.14 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 1pkt s THR 31 CO -0.04 -0.97 0.60 -0.69 -0.69 0.00 0.00 174.62 172.83 1pkt s VAL 32 N 0.50 4.98 0.97 3.82 1.01 -0.29 -1.73 120.40 129.66 1pkt s VAL 32 Ca 0.14 0.90 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 1pkt s VAL 32 Cb -0.16 -3.94 0.10 0.00 0.00 0.00 0.00 36.38 32.38 1pkt s VAL 32 CO -0.05 -0.05 0.03 0.59 0.00 0.00 0.00 175.10 175.61 1pkt n ASN 33 N 5.75 -2.79 0.00 3.32 3.02 -1.26 0.83 115.26 124.14 1pkt n ASN 33 Ca -0.02 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1pkt n ASN 33 Cb 0.49 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 1pkt n ASN 33 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1pkt n LYS 34 N -0.94 0.00 0.30 3.52 0.00 -1.25 -3.56 118.16 116.24 1pkt n LYS 34 Ca 0.03 0.32 0.17 0.00 0.00 0.00 0.00 58.31 58.83 1pkt n LYS 34 Cb 0.40 -0.80 0.97 0.00 0.00 0.00 0.00 35.03 35.61 1pkt n LYS 34 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1pkt h GLY 35 N 0.00 0.00 1.82 3.14 0.00 -1.93 -1.66 103.07 104.45 1pkt h GLY 35 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1pkt h GLY 35 CO 0.00 0.00 0.06 0.23 0.00 0.00 0.00 176.54 176.83 1pkt h SER 36 N 0.00 0.00 0.03 0.19 0.87 -1.93 1.01 113.55 113.71 1pkt h SER 36 Ca -0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 1pkt h SER 36 Cb 0.10 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1pkt h SER 36 CO 0.00 0.00 -1.52 -0.11 -0.53 0.00 0.00 176.83 174.67 1pkt n LEU 37 N -4.37 2.05 0.00 2.23 0.00 -0.63 -4.01 117.00 112.26 1pkt n LEU 37 Ca -0.01 0.36 0.09 0.00 0.00 0.00 0.00 56.01 56.45 1pkt n LEU 37 Cb 0.17 -0.99 0.53 0.00 0.00 0.00 0.00 43.42 43.13 1pkt n LEU 37 CO 0.33 0.43 0.84 0.52 0.00 0.00 0.00 177.39 179.51 1pkt n VAL 38 N -4.21 0.00 0.23 1.96 0.31 -1.11 -3.65 118.33 111.87 1pkt n VAL 38 Ca -0.34 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.02 1pkt n VAL 38 Cb 0.78 -0.28 0.14 0.00 -0.91 0.00 0.00 33.84 33.57 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 -0.78 1.33 0.64 3.52 0.00 0.35 -1.37 120.51 124.20 1pkt n ALA 39 Ca 0.13 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1pkt n ALA 39 Cb 0.06 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.45 0.64 0.00 0.00 4.77 -1.24 -4.97 117.00 114.75 1pkt n LEU 40 Ca 0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1pkt n LEU 40 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1pkt n LEU 40 CO 0.06 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1pkt n GLY 41 N 1.41 1.94 1.77 -0.72 0.00 -0.47 -5.10 105.19 104.03 1pkt n GLY 41 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.76 -2.03 -4.01 1.61 3.01 -1.26 -5.03 117.46 108.99 1pkt n PHE 42 Ca 0.00 -0.09 -0.08 0.00 1.01 0.00 0.00 57.45 58.29 1pkt n PHE 42 Cb 0.00 -0.78 -0.10 0.00 -0.01 0.00 0.00 39.48 38.60 1pkt n PHE 42 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pkt s SER 43 N -1.91 0.34 0.03 4.37 0.15 -1.26 -5.04 113.70 110.38 1pkt s SER 43 Ca 0.22 -0.79 -0.33 0.00 0.70 0.00 0.00 55.95 55.75 1pkt s SER 43 Cb -0.04 0.21 -0.12 0.00 -1.71 0.00 0.00 66.02 64.37 1pkt s SER 43 CO 0.18 -0.55 1.82 -0.67 1.20 0.00 0.00 173.24 175.22 1pkt n ASP 44 N 0.44 3.63 0.00 5.45 2.03 -1.26 -1.46 116.55 125.38 1pkt n ASP 44 Ca -0.17 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.13 1pkt n ASP 44 Cb 0.60 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 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 4.19 2.33 0.08 0.27 0.00 -1.26 -4.87 105.19 105.94 1pkt n GLY 45 Ca 0.20 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 0.13 0.00 1.61 4.20 -1.58 -2.91 115.11 116.55 1pkt h GLN 46 Ca 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1pkt h GLN 46 Cb 0.00 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1pkt h GLN 46 CO 0.00 1.06 0.00 1.05 -0.67 0.00 0.00 178.83 180.27 1pkt h GLU 47 N 0.03 0.00 0.00 1.46 4.11 -1.89 -1.82 114.58 116.47 1pkt h GLU 47 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1pkt h GLU 47 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1pkt h GLU 47 CO 0.16 0.00 -1.07 0.00 0.07 0.00 0.00 179.01 178.17 1pkt n ALA 48 N -1.84 3.35 -3.73 1.06 0.00 -1.20 -4.72 120.51 113.43 1pkt n ALA 48 Ca -0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.72 1pkt n ALA 48 Cb 0.13 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 1pkt n ALA 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pkt s ARG 49 N -2.62 3.01 0.45 0.00 1.81 -0.68 -4.33 118.95 116.59 1pkt s ARG 49 Ca 0.01 -3.32 0.12 0.00 -1.72 0.00 0.00 55.73 50.81 1pkt s ARG 49 Cb 0.10 -3.78 1.02 0.00 -0.45 0.00 0.00 34.95 31.85 1pkt s ARG 49 CO 0.60 -1.27 2.07 -1.00 -0.68 0.00 0.00 175.30 175.01 1pkt h PRO 50 N 5.77 0.22 0.00 3.54 0.13 -1.81 -0.83 132.00 139.02 1pkt h PRO 50 Ca 0.16 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1pkt h PRO 50 Cb 0.79 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1pkt h PRO 50 CO 0.81 0.20 -0.00 1.05 -0.23 0.00 0.00 178.00 179.83 1pkt h GLU 51 N 0.23 0.00 -0.01 0.86 4.11 -1.86 -0.54 114.58 117.37 1pkt h GLU 51 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1pkt h GLU 51 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pkt h GLU 51 CO -0.00 0.00 -0.41 -1.91 0.07 0.00 0.00 179.01 176.75 1pkt n GLU 52 N -3.93 1.61 0.08 1.06 2.13 -0.40 -4.33 120.64 116.86 1pkt n GLU 52 Ca -0.03 -0.72 -0.05 0.00 0.66 0.00 0.00 57.16 57.02 1pkt n GLU 52 Cb 0.08 -1.30 -0.07 0.00 0.27 0.00 0.00 31.44 30.43 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1pkt h ILE 53 N 1.62 1.52 0.00 6.31 2.04 -0.20 -3.48 117.51 125.33 1pkt h ILE 53 Ca 0.00 -3.09 0.00 0.00 1.00 0.00 0.00 64.86 62.77 1pkt h ILE 53 Cb 0.55 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1pkt h ILE 53 CO 0.00 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.61 1pkt n GLY 54 N 1.25 1.94 3.05 5.37 0.00 -1.11 -4.91 105.19 110.78 1pkt n GLY 54 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.09 0.15 1.61 0.52 -1.26 -2.41 118.94 117.47 1pkt s TRP 55 Ca 0.00 0.21 0.06 0.00 0.02 0.00 0.00 56.10 56.38 1pkt s TRP 55 Cb 0.00 0.02 -0.04 0.00 -1.15 0.00 0.00 33.47 32.29 1pkt s TRP 55 CO 0.00 -0.15 -0.12 -0.51 0.02 0.00 0.00 176.95 176.19 1pkt s LEU 56 N -0.42 2.50 -0.29 2.99 1.02 -0.66 -4.85 118.68 118.97 1pkt s LEU 56 Ca -0.05 -0.95 -0.03 0.00 0.02 0.00 0.00 54.13 53.12 1pkt s LEU 56 Cb -0.03 -0.49 0.04 0.00 0.02 0.00 0.00 46.19 45.72 1pkt s LEU 56 CO 0.01 -0.23 0.01 0.21 0.02 0.00 0.00 176.35 176.36 1pkt s ASN 57 N -2.98 4.82 0.06 2.29 2.47 -1.26 -1.23 114.94 119.10 1pkt s ASN 57 Ca 0.16 -1.06 0.01 0.00 0.42 0.00 0.00 52.86 52.38 1pkt s ASN 57 Cb -0.01 -1.74 -0.00 0.00 -1.45 0.00 0.00 41.25 38.05 1pkt s ASN 57 CO 0.03 -0.22 0.03 0.61 -3.72 0.00 0.00 177.10 173.83 1pkt n GLY 58 N 4.70 3.93 3.05 1.21 0.00 -0.88 -4.42 105.19 112.78 1pkt n GLY 58 Ca -0.14 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.95 3.20 -0.79 1.61 5.04 -0.70 -2.43 117.35 121.32 1pkt s TYR 59 Ca 0.04 -2.29 -0.26 0.00 -2.44 0.00 0.00 57.07 52.12 1pkt s TYR 59 Cb 0.00 -1.93 0.03 0.00 0.35 0.00 0.00 41.96 40.41 1pkt s TYR 59 CO 0.03 -0.87 1.35 -0.80 -1.34 0.00 0.00 175.55 173.92 1pkt s ASN 60 N 1.12 6.16 0.32 4.32 0.01 0.40 -1.85 114.94 125.43 1pkt s ASN 60 Ca -0.08 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.48 1pkt s ASN 60 Cb -0.20 -2.56 0.53 0.00 0.41 0.00 0.00 41.25 39.43 1pkt s ASN 60 CO -0.05 -1.82 1.90 -0.33 -1.51 0.00 0.00 177.10 175.29 1pkt h GLU 61 N 10.27 0.77 -0.18 -0.60 5.08 -1.82 0.47 114.58 128.56 1pkt h GLU 61 Ca -0.18 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1pkt h GLU 61 Cb 1.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1pkt h GLU 61 CO 1.30 0.63 0.54 1.15 -1.00 0.00 0.00 179.01 181.63 1pkt h THR 62 N 0.76 0.09 0.00 1.13 2.02 -1.88 0.07 112.91 115.10 1pkt h THR 62 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1pkt h THR 62 Cb 0.16 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1pkt h THR 62 CO -0.02 0.00 0.00 1.07 0.37 0.00 0.00 175.52 176.94 1pkt n THR 63 N -3.05 0.00 -3.52 3.16 5.66 -0.56 -5.02 114.28 110.95 1pkt n THR 63 Ca 0.03 -0.31 -0.20 0.00 -3.05 0.00 0.00 64.05 60.52 1pkt n THR 63 Cb 0.63 1.26 0.08 0.00 -1.55 0.00 0.00 70.33 70.75 1pkt n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pkt n GLY 64 N 0.20 -0.42 3.17 1.09 0.00 0.15 -5.00 105.19 104.38 1pkt n GLY 64 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.75 0.84 0.09 1.61 0.41 -0.95 -4.99 118.70 109.96 1pkt s GLU 65 Ca 0.21 -1.35 0.04 0.00 -0.41 0.00 0.00 54.97 53.46 1pkt s GLU 65 Cb -0.10 -0.12 -0.03 0.00 -1.78 0.00 0.00 34.13 32.10 1pkt s GLU 65 CO 0.74 -0.07 -0.11 0.50 -0.49 0.00 0.00 175.26 175.83 1pkt s ARG 66 N -3.87 0.83 0.00 1.61 3.52 -1.26 -0.45 118.95 119.32 1pkt s ARG 66 Ca 0.14 -1.09 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 1pkt s ARG 66 Cb 0.06 -0.60 0.00 0.00 -1.56 0.00 0.00 34.95 32.85 1pkt s ARG 66 CO -0.04 0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 1pkt n GLY 67 N 0.77 -1.53 3.96 8.12 0.00 -1.02 -4.71 105.19 110.78 1pkt n GLY 67 Ca -0.18 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 1pkt n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pkt s ASP 68 N -3.52 5.20 -0.27 1.61 1.47 -0.73 -2.08 116.67 118.35 1pkt s ASP 68 Ca 0.00 0.14 -0.27 0.00 1.18 0.00 0.00 52.55 53.60 1pkt s ASP 68 Cb 0.00 -0.98 0.16 0.00 -0.34 0.00 0.00 42.92 41.76 1pkt s ASP 68 CO 0.00 -1.23 1.25 0.72 0.68 0.00 0.00 175.17 176.59 1pkt s PHE 69 N -2.88 -0.21 -0.12 2.11 -0.71 -0.37 -1.86 117.98 113.95 1pkt s PHE 69 Ca 0.57 0.46 -0.33 0.00 -1.04 0.00 0.00 56.93 56.59 1pkt s PHE 69 Cb -0.10 0.45 -0.11 0.00 -1.21 0.00 0.00 43.02 42.05 1pkt s PHE 69 CO 0.40 -0.13 1.95 -2.30 -1.34 0.00 0.00 175.22 173.80 1pkt n PRO 70 N 1.37 2.10 0.28 1.99 -0.02 -1.26 -1.66 135.00 137.80 1pkt n PRO 70 Ca -0.09 0.74 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 1pkt n PRO 70 Cb 0.57 -2.71 0.85 0.00 -0.02 0.00 0.00 33.50 32.20 1pkt n PRO 70 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1pkt h GLY 71 N 10.15 0.00 1.86 -1.23 0.00 -1.61 -1.85 103.07 110.39 1pkt h GLY 71 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1pkt h GLY 71 CO 0.96 0.00 0.07 -0.91 0.00 0.00 0.00 176.54 176.66 1pkt h THR 72 N 0.00 0.00 -0.84 4.70 1.35 -1.79 -0.51 112.91 115.81 1pkt h THR 72 Ca -0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.45 1pkt h THR 72 Cb 0.21 0.89 -0.25 0.00 -1.73 0.00 0.00 68.15 67.27 1pkt h THR 72 CO 0.01 0.00 0.47 -1.22 -0.25 0.00 0.00 175.52 174.52 1pkt n TYR 73 N -2.97 2.61 -4.15 4.73 4.01 -0.69 -4.82 117.16 115.87 1pkt n TYR 73 Ca -0.03 -1.71 -0.11 0.00 -0.16 0.00 0.00 57.90 55.89 1pkt n TYR 73 Cb 0.13 -0.83 -0.09 0.00 -0.31 0.00 0.00 39.34 38.24 1pkt n TYR 73 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1pkt s VAL 74 N -3.25 0.04 -0.37 -0.72 -7.23 -0.20 -1.31 120.40 107.36 1pkt s VAL 74 Ca 0.54 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1pkt s VAL 74 Cb 0.46 -2.28 0.14 0.00 0.56 0.00 0.00 36.38 35.27 1pkt s VAL 74 CO 0.09 -0.18 0.23 -1.83 -0.31 0.00 0.00 175.10 173.10 1pkt s GLU 75 N -4.10 0.67 -0.23 4.82 -1.05 -0.49 -4.69 118.70 113.63 1pkt s GLU 75 Ca 0.31 -1.50 -0.40 0.00 -0.15 0.00 0.00 54.97 53.23 1pkt s GLU 75 Cb 0.06 -1.42 -0.19 0.00 -0.44 0.00 0.00 34.13 32.15 1pkt s GLU 75 CO 0.07 -1.23 1.24 0.98 0.95 0.00 0.00 175.26 177.27 1pkt n TYR 76 N 3.84 1.11 -0.13 4.83 9.36 -1.26 -2.06 117.16 132.85 1pkt n TYR 76 Ca 0.14 1.02 0.00 0.00 3.32 0.00 0.00 57.90 62.38 1pkt n TYR 76 Cb 0.38 -2.00 0.00 0.00 -0.63 0.00 0.00 39.34 37.09 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 2.55 0.52 0.00 2.97 -0.00 -0.74 -4.86 119.36 119.81 1pkt n ILE 77 Ca 0.24 -0.69 0.00 0.00 -0.00 0.00 0.00 62.75 62.29 1pkt n ILE 77 Cb 0.01 0.79 0.00 0.00 -0.00 0.00 0.00 39.64 40.44 1pkt n ILE 77 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1pkt n GLY 78 N -0.26 1.92 0.64 7.39 0.00 -1.20 -4.96 105.19 108.72 1pkt n GLY 78 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1pkt n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19