#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 0.04 3.75 0.62 0.00 -1.26 -3.81 105.19 104.53 1pkt n GLY 5 Ca 0.00 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 3.92 -0.12 1.61 2.02 0.12 -3.65 117.35 121.25 1pkt s TYR 6 Ca 0.00 1.89 -0.05 0.00 -0.37 0.00 0.00 57.07 58.53 1pkt s TYR 6 Cb 0.00 -3.01 0.06 0.00 -0.40 0.00 0.00 41.96 38.60 1pkt s TYR 6 CO 0.00 0.32 0.27 -0.65 -1.57 0.00 0.00 175.55 173.93 1pkt s GLN 7 N -1.26 0.20 0.50 -0.62 -0.21 0.02 0.01 119.66 118.29 1pkt s GLN 7 Ca 0.42 0.67 0.02 0.00 0.02 0.00 0.00 55.36 56.48 1pkt s GLN 7 Cb -0.26 -0.06 -0.02 0.00 1.00 0.00 0.00 33.01 33.67 1pkt s GLN 7 CO 0.33 -0.22 0.01 0.71 -2.12 0.00 0.00 175.29 173.99 1pkt s TYR 8 N 1.84 1.89 0.42 0.91 2.02 -0.84 0.17 117.35 123.76 1pkt s TYR 8 Ca -0.04 -0.96 0.07 0.00 -0.37 0.00 0.00 57.07 55.77 1pkt s TYR 8 Cb -0.11 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.81 1pkt s TYR 8 CO -0.09 0.21 0.18 0.50 -1.57 0.00 0.00 175.55 174.78 1pkt s ARG 9 N -3.86 2.21 0.25 -0.62 3.52 -0.33 -1.61 118.95 118.51 1pkt s ARG 9 Ca 0.08 -1.88 -0.17 0.00 -0.13 0.00 0.00 55.73 53.63 1pkt s ARG 9 Cb 0.02 -1.96 -0.08 0.00 -1.56 0.00 0.00 34.95 31.37 1pkt s ARG 9 CO 0.04 -0.14 0.70 0.00 -0.81 0.00 0.00 175.30 175.09 1pkt s ALA 10 N -2.62 3.41 0.00 6.12 0.00 -0.51 -1.08 121.76 127.09 1pkt s ALA 10 Ca 0.40 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1pkt s ALA 10 Cb 0.04 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1pkt s ALA 10 CO 0.22 0.35 0.00 1.28 0.00 0.00 0.00 175.76 177.61 1pkt n LEU 11 N 0.34 1.38 0.00 0.00 4.77 0.51 -2.87 117.00 121.13 1pkt n LEU 11 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1pkt n LEU 11 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1pkt n LEU 11 CO 0.43 0.23 0.00 -1.22 -1.33 0.00 0.00 177.39 175.50 1pkt n TYR 12 N -1.96 -0.08 -4.57 -1.77 4.02 -1.06 -4.34 117.16 107.41 1pkt n TYR 12 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 1pkt n TYR 12 Cb 0.33 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.54 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 0.25 3.39 -0.30 7.72 -4.77 -1.26 -0.60 116.67 121.09 1pkt s ASP 13 Ca 0.00 -1.38 -0.16 0.00 -3.30 0.00 0.00 52.55 47.71 1pkt s ASP 13 Cb 0.00 -0.29 0.18 0.00 -1.09 0.00 0.00 42.92 41.72 1pkt s ASP 13 CO 0.00 -0.51 1.12 -0.47 0.70 0.00 0.00 175.17 176.02 1pkt s TYR 14 N -2.90 -0.39 -0.19 2.11 5.04 0.32 -4.79 117.35 116.54 1pkt s TYR 14 Ca 0.35 0.59 0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1pkt s TYR 14 Cb 0.09 0.20 0.20 0.00 0.35 0.00 0.00 41.96 42.81 1pkt s TYR 14 CO 0.17 -0.20 1.60 1.63 -1.34 0.00 0.00 175.55 177.41 1pkt n LYS 15 N 5.00 1.50 -3.15 4.97 4.01 -1.26 -0.20 118.16 129.02 1pkt n LYS 15 Ca -0.08 -1.08 -0.00 0.00 -0.51 0.00 0.00 58.31 56.64 1pkt n LYS 15 Cb 0.54 -1.42 -0.00 0.00 -0.51 0.00 0.00 35.03 33.64 1pkt n LYS 15 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1pkt n LYS 16 N 0.22 -0.56 -0.13 1.97 4.81 -1.23 -4.82 118.16 118.42 1pkt n LYS 16 Ca 0.21 0.95 -0.27 0.00 -0.87 0.00 0.00 58.31 58.33 1pkt n LYS 16 Cb 0.77 -1.31 -0.11 0.00 0.02 0.00 0.00 35.03 34.40 1pkt n LYS 16 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1pkt n GLU 17 N 1.31 0.59 -2.65 1.64 -0.58 -1.26 -4.91 120.64 114.78 1pkt n GLU 17 Ca -0.00 0.34 -0.34 0.00 -0.42 0.00 0.00 57.16 56.74 1pkt n GLU 17 Cb 0.44 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 1pkt n GLU 17 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1pkt s ARG 18 N -2.47 3.96 0.00 3.49 6.06 -1.26 -4.90 118.95 123.83 1pkt s ARG 18 Ca -0.36 1.27 0.15 0.00 -2.50 0.00 0.00 55.73 54.29 1pkt s ARG 18 Cb 0.12 -2.13 0.78 0.00 0.06 0.00 0.00 34.95 33.78 1pkt s ARG 18 CO 0.52 -0.28 1.37 -1.91 -2.50 0.00 0.00 175.30 172.51 1pkt n GLU 19 N -0.84 0.28 -0.00 5.12 2.13 -1.26 -2.16 120.64 123.92 1pkt n GLU 19 Ca 0.08 0.11 0.07 0.00 0.66 0.00 0.00 57.16 58.08 1pkt n GLU 19 Cb 0.53 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.64 1pkt n GLU 19 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1pkt n GLU 20 N -1.21 1.31 -3.37 5.31 0.00 -1.26 -4.99 120.64 116.44 1pkt n GLU 20 Ca 0.08 -0.07 -0.19 0.00 0.00 0.00 0.00 57.16 56.98 1pkt n GLU 20 Cb 0.10 -1.27 -0.00 0.00 0.00 0.00 0.00 31.44 30.27 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1pkt s ASP 21 N -3.06 5.92 0.48 4.31 1.47 -0.92 -2.50 116.67 122.38 1pkt s ASP 21 Ca -0.00 -0.14 0.02 0.00 1.18 0.00 0.00 52.55 53.61 1pkt s ASP 21 Cb 0.10 -1.22 -0.02 0.00 -0.34 0.00 0.00 42.92 41.44 1pkt s ASP 21 CO 0.61 -0.50 0.02 0.27 0.68 0.00 0.00 175.17 176.25 1pkt s ILE 22 N -2.24 1.21 1.04 2.11 -4.36 -0.88 -4.72 121.20 113.36 1pkt s ILE 22 Ca 0.46 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.72 1pkt s ILE 22 Cb -0.10 -2.31 0.21 0.00 1.25 0.00 0.00 42.46 41.52 1pkt s ILE 22 CO 0.32 0.00 1.10 -1.81 0.24 0.00 0.00 174.94 174.79 1pkt s ASP 23 N -3.82 2.29 -0.19 4.36 1.11 -1.26 -3.51 116.67 115.65 1pkt s ASP 23 Ca 0.12 1.06 -0.28 0.00 0.18 0.00 0.00 52.55 53.64 1pkt s ASP 23 Cb 0.03 -1.65 0.10 0.00 1.07 0.00 0.00 42.92 42.47 1pkt s ASP 23 CO 0.06 -3.33 0.88 -0.76 1.18 0.00 0.00 175.17 173.21 1pkt s LEU 24 N -6.55 -0.54 -0.28 1.23 1.43 0.71 -4.84 118.68 109.86 1pkt s LEU 24 Ca 0.66 0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.47 1pkt s LEU 24 Cb -0.17 2.15 0.10 0.00 0.03 0.00 0.00 46.19 48.30 1pkt s LEU 24 CO 0.57 -0.33 0.64 -1.00 0.23 0.00 0.00 176.35 176.46 1pkt s HIS 25 N -0.42 -1.14 0.07 0.29 3.76 -1.15 -0.53 115.29 116.17 1pkt s HIS 25 Ca -0.02 2.13 -0.37 0.00 -0.15 0.00 0.00 55.06 56.65 1pkt s HIS 25 Cb -0.03 0.67 -0.17 0.00 1.11 0.00 0.00 32.58 34.16 1pkt s HIS 25 CO 0.01 -0.58 1.30 -0.11 -0.85 0.00 0.00 174.74 174.52 1pkt n LEU 26 N 4.88 1.41 0.00 0.89 0.00 0.23 -1.23 117.00 123.18 1pkt n LEU 26 Ca -0.16 1.12 0.00 0.00 0.00 0.00 0.00 56.01 56.97 1pkt n LEU 26 Cb 0.54 -1.15 0.00 0.00 0.00 0.00 0.00 43.42 42.81 1pkt n LEU 26 CO -0.02 -1.17 0.00 0.61 0.00 0.00 0.00 177.39 176.81 1pkt n GLY 27 N 2.38 1.09 0.35 -3.96 0.00 -1.14 -4.91 105.19 99.00 1pkt n GLY 27 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1pkt n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pkt n ASP 28 N 0.00 0.10 -3.81 1.61 9.92 -0.36 -4.81 116.55 119.19 1pkt n ASP 28 Ca 0.00 -1.09 -0.13 0.00 -0.53 0.00 0.00 54.79 53.04 1pkt n ASP 28 Cb 0.00 -0.07 -0.13 0.00 -0.64 0.00 0.00 41.12 40.29 1pkt n ASP 28 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1pkt s ILE 29 N -0.32 -0.01 -0.16 0.53 1.09 -1.26 -1.42 121.20 119.65 1pkt s ILE 29 Ca 0.06 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1pkt s ILE 29 Cb -0.00 -0.21 0.00 0.00 -1.06 0.00 0.00 42.46 41.19 1pkt s ILE 29 CO 0.04 0.01 -0.16 -0.76 -0.10 0.00 0.00 174.94 173.98 1pkt s LEU 30 N 0.27 2.43 -0.53 2.97 1.02 -0.64 -2.96 118.68 121.24 1pkt s LEU 30 Ca -0.02 -0.50 -0.18 0.00 0.02 0.00 0.00 54.13 53.45 1pkt s LEU 30 Cb -0.03 -1.56 0.08 0.00 0.02 0.00 0.00 46.19 44.71 1pkt s LEU 30 CO -0.01 0.06 0.59 -0.89 0.02 0.00 0.00 176.35 176.12 1pkt s THR 31 N 0.93 4.97 -0.40 5.49 2.01 -0.70 -1.98 115.64 125.97 1pkt s THR 31 Ca -0.03 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1pkt s THR 31 Cb -0.15 -4.33 0.11 0.00 0.01 0.00 0.00 72.50 68.14 1pkt s THR 31 CO -0.02 -0.87 0.19 -0.69 -0.69 0.00 0.00 174.62 172.54 1pkt s VAL 32 N 2.32 3.19 0.00 3.82 1.01 0.10 -1.84 120.40 129.00 1pkt s VAL 32 Ca 0.10 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1pkt s VAL 32 Cb -0.23 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1pkt s VAL 32 CO 0.08 -0.68 0.00 -0.46 0.00 0.00 0.00 175.10 174.04 1pkt n ASN 33 N 4.56 -1.14 0.07 3.32 0.23 -1.24 0.12 115.26 121.18 1pkt n ASN 33 Ca -0.02 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.01 1pkt n ASN 33 Cb 0.41 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.05 1pkt n ASN 33 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1pkt h LYS 34 N 0.00 0.00 0.00 -3.83 -0.00 -1.90 -3.29 116.57 107.55 1pkt h LYS 34 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.63 1pkt h LYS 34 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1pkt h LYS 34 CO 0.00 0.57 -0.14 0.78 -0.00 0.00 0.00 179.45 180.67 1pkt h GLY 35 N 3.43 0.00 0.79 0.07 0.00 -1.94 -2.04 103.07 103.39 1pkt h GLY 35 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.31 1pkt h GLY 35 CO 0.08 0.00 0.54 0.23 0.00 0.00 0.00 176.54 177.39 1pkt h SER 36 N -1.00 0.00 0.08 0.19 0.87 -1.90 0.99 113.55 112.78 1pkt h SER 36 Ca -0.03 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.23 1pkt h SER 36 Cb 0.67 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1pkt h SER 36 CO -0.02 0.00 -1.59 0.25 -0.53 0.00 0.00 176.83 174.94 1pkt h LEU 37 N 0.00 0.27 -0.41 2.23 5.85 -1.62 -3.33 115.31 118.29 1pkt h LEU 37 Ca 0.11 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1pkt h LEU 37 Cb 1.19 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1pkt h LEU 37 CO -0.00 1.67 0.00 0.52 -0.34 0.00 0.00 178.44 180.29 1pkt n VAL 38 N -3.92 0.11 -0.32 1.05 0.31 0.45 -4.04 118.33 111.96 1pkt n VAL 38 Ca -0.30 -0.14 0.36 0.00 -0.01 0.00 0.00 64.34 64.25 1pkt n VAL 38 Cb 0.89 -0.01 0.69 0.00 -0.91 0.00 0.00 33.84 34.50 1pkt n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkt h ALA 39 N 3.55 3.11 0.00 3.52 0.00 0.76 0.99 119.26 131.18 1pkt h ALA 39 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 1pkt h ALA 39 Cb 0.17 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1pkt h ALA 39 CO 0.00 -1.65 -2.34 1.28 0.00 0.00 0.00 179.25 176.53 1pkt n LEU 40 N -3.80 0.00 0.00 0.00 4.77 -1.26 -5.01 117.00 111.70 1pkt n LEU 40 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1pkt n LEU 40 Cb 1.41 0.45 0.00 0.00 -2.33 0.00 0.00 43.42 42.95 1pkt n LEU 40 CO 0.35 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1pkt n GLY 41 N 1.71 4.52 6.58 -0.72 0.00 0.34 -5.11 105.19 112.51 1pkt n GLY 41 Ca -0.30 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.29 -3.85 1.61 3.01 -1.26 -4.81 117.46 111.87 1pkt n PHE 42 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1pkt n PHE 42 Cb 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 1pkt n PHE 42 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1pkt s SER 43 N -3.76 -0.06 -0.62 4.37 0.01 -1.26 -5.07 113.70 107.31 1pkt s SER 43 Ca 0.00 0.04 -0.26 0.00 1.31 0.00 0.00 55.95 57.04 1pkt s SER 43 Cb 0.00 0.26 -0.07 0.00 0.21 0.00 0.00 66.02 66.42 1pkt s SER 43 CO 0.00 -0.22 2.26 -0.62 0.41 0.00 0.00 173.24 175.07 1pkt s ASP 44 N -0.68 4.54 0.00 2.44 -1.08 -1.26 -1.70 116.67 118.93 1pkt s ASP 44 Ca -0.08 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.51 1pkt s ASP 44 Cb -0.05 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1pkt s ASP 44 CO 0.01 -2.99 0.00 0.61 0.52 0.00 0.00 175.17 173.32 1pkt n GLY 45 N 6.19 1.31 0.18 2.66 0.00 -1.26 -4.94 105.19 109.33 1pkt n GLY 45 Ca 0.36 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.50 1pkt n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pkt n GLN 46 N 0.00 0.60 -0.27 1.61 7.27 -0.69 -4.34 117.38 121.56 1pkt n GLN 46 Ca 0.00 -0.36 -0.12 0.00 0.07 0.00 0.00 57.00 56.59 1pkt n GLN 46 Cb 0.00 -1.49 -0.10 0.00 2.41 0.00 0.00 30.24 31.06 1pkt n GLN 46 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1pkt h GLU 47 N 0.87 -0.20 -1.92 3.69 3.07 -1.92 0.31 114.58 118.48 1pkt h GLU 47 Ca 0.00 0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.60 1pkt h GLU 47 Cb 0.51 0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 28.36 1pkt h GLU 47 CO 0.00 -0.13 0.05 0.00 -1.40 0.00 0.00 179.01 177.53 1pkt n ALA 48 N -3.16 5.81 -3.18 3.43 0.00 -1.26 -4.33 120.51 117.82 1pkt n ALA 48 Ca -0.01 -1.89 -0.19 0.00 0.00 0.00 0.00 53.44 51.35 1pkt n ALA 48 Cb 0.30 -1.89 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 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 1.47 1.04 -0.10 0.00 1.74 0.11 -4.93 116.66 115.99 1pkt n ARG 49 Ca 0.36 -3.43 -0.06 0.00 -0.77 0.00 0.00 57.85 53.95 1pkt n ARG 49 Cb 0.68 -1.66 0.02 0.00 -1.02 0.00 0.00 32.46 30.47 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1pkt h PRO 50 N 3.15 0.14 -0.23 5.56 0.11 -1.77 1.98 132.00 140.94 1pkt h PRO 50 Ca 0.10 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1pkt h PRO 50 Cb 0.94 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1pkt h PRO 50 CO 0.51 0.09 -0.30 0.93 -0.21 0.00 0.00 178.00 179.02 1pkt h GLU 51 N 0.14 0.47 -0.08 1.05 3.07 -1.81 -2.15 114.58 115.27 1pkt h GLU 51 Ca 0.17 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1pkt h GLU 51 Cb 0.22 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1pkt h GLU 51 CO -0.26 0.72 0.00 -1.91 -1.40 0.00 0.00 179.01 176.16 1pkt n GLU 52 N -4.09 1.79 -0.04 2.33 2.13 -0.60 -4.02 120.64 118.14 1pkt n GLU 52 Ca -0.01 -1.16 -0.22 0.00 0.66 0.00 0.00 57.16 56.43 1pkt n GLU 52 Cb 0.43 -1.45 -0.13 0.00 0.27 0.00 0.00 31.44 30.56 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 2.64 0.86 0.00 6.31 2.04 0.38 -3.50 117.51 126.23 1pkt h ILE 53 Ca 0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1pkt h ILE 53 Cb 0.57 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1pkt h ILE 53 CO 0.00 0.61 0.00 0.61 0.00 0.00 0.00 178.15 179.37 1pkt n GLY 54 N 1.70 2.19 3.16 5.37 0.00 -1.08 -4.98 105.19 111.55 1pkt n GLY 54 Ca -0.30 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.49 -0.01 1.61 0.52 -1.26 -2.22 118.94 117.08 1pkt s TRP 55 Ca 0.00 1.07 0.08 0.00 0.02 0.00 0.00 56.10 57.27 1pkt s TRP 55 Cb 0.00 0.16 -0.02 0.00 -1.15 0.00 0.00 33.47 32.46 1pkt s TRP 55 CO 0.00 -0.31 -0.24 -0.51 0.02 0.00 0.00 176.95 175.91 1pkt s LEU 56 N 1.48 2.17 -0.56 2.99 1.02 -0.76 -4.83 118.68 120.19 1pkt s LEU 56 Ca -0.08 -0.45 -0.19 0.00 0.02 0.00 0.00 54.13 53.43 1pkt s LEU 56 Cb -0.10 -1.37 0.09 0.00 0.02 0.00 0.00 46.19 44.84 1pkt s LEU 56 CO -0.11 0.31 0.67 0.21 0.02 0.00 0.00 176.35 177.46 1pkt s ASN 57 N -0.74 6.19 0.53 2.29 2.47 -1.26 -1.75 114.94 122.67 1pkt s ASN 57 Ca 0.11 -1.28 0.01 0.00 0.42 0.00 0.00 52.86 52.12 1pkt s ASN 57 Cb -0.10 -2.29 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1pkt s ASN 57 CO -0.00 -1.03 0.07 -0.83 -3.72 0.00 0.00 177.10 171.58 1pkt s GLY 58 N 3.32 2.98 -0.28 1.21 0.00 -0.60 -4.64 107.32 109.31 1pkt s GLY 58 Ca 0.12 -0.31 -0.09 0.00 0.00 0.00 0.00 44.72 44.45 1pkt s GLY 58 CO 0.08 -2.17 0.12 -0.47 0.00 0.00 0.00 173.10 170.66 1pkt s TYR 59 N -2.88 3.15 -1.31 1.90 5.04 -0.77 -2.52 117.35 119.96 1pkt s TYR 59 Ca 0.07 -0.46 -0.18 0.00 -2.44 0.00 0.00 57.07 54.07 1pkt s TYR 59 Cb 0.00 -2.31 0.05 0.00 0.35 0.00 0.00 41.96 40.05 1pkt s TYR 59 CO 0.04 -0.39 1.85 0.09 -1.34 0.00 0.00 175.55 175.80 1pkt n ASN 60 N 4.96 4.54 -0.20 4.32 3.02 0.06 -1.72 115.26 130.25 1pkt n ASN 60 Ca -0.15 -2.88 0.10 0.00 -0.03 0.00 0.00 54.58 51.62 1pkt n ASN 60 Cb 0.50 -1.72 0.39 0.00 -0.61 0.00 0.00 39.78 38.34 1pkt n ASN 60 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1pkt h GLU 61 N 7.46 0.65 -0.15 3.52 5.08 -1.78 1.46 114.58 130.82 1pkt h GLU 61 Ca 0.45 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1pkt h GLU 61 Cb 0.83 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1pkt h GLU 61 CO 1.53 0.43 -0.06 1.15 -1.00 0.00 0.00 179.01 181.07 1pkt h THR 62 N 0.67 1.14 -0.03 1.13 2.02 -1.85 -2.73 112.91 113.25 1pkt h THR 62 Ca 0.36 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1pkt h THR 62 Cb 0.50 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1pkt h THR 62 CO -0.13 0.18 0.00 0.35 0.37 0.00 0.00 175.52 176.28 1pkt n THR 63 N -4.35 1.85 -4.18 3.16 -2.24 0.20 -4.99 114.28 103.74 1pkt n THR 63 Ca -0.01 -2.13 -0.38 0.00 -2.27 0.00 0.00 64.05 59.26 1pkt n THR 63 Cb 0.21 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.28 -0.46 3.54 3.38 0.00 0.48 -4.93 105.19 105.91 1pkt n GLY 64 Ca 0.15 0.25 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 -7.33 2.00 -0.29 1.61 0.41 -0.59 -4.95 118.70 109.56 1pkt s GLU 65 Ca 0.23 -2.24 -0.12 0.00 -0.41 0.00 0.00 54.97 52.43 1pkt s GLU 65 Cb -0.12 -0.59 0.12 0.00 -1.78 0.00 0.00 34.13 31.75 1pkt s GLU 65 CO 0.98 -0.53 0.68 0.50 -0.49 0.00 0.00 175.26 176.39 1pkt s ARG 66 N -3.66 0.60 0.00 1.61 3.52 -1.26 -0.76 118.95 119.01 1pkt s ARG 66 Ca 0.21 1.36 0.00 0.00 -0.13 0.00 0.00 55.73 57.17 1pkt s ARG 66 Cb 0.01 0.64 0.00 0.00 -1.56 0.00 0.00 34.95 34.04 1pkt s ARG 66 CO 0.15 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 1pkt n GLY 67 N 5.08 -1.10 3.95 8.12 0.00 -1.05 -4.87 105.19 115.33 1pkt n GLY 67 Ca -0.14 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 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 6.13 0.15 1.61 1.01 -1.04 -1.56 116.67 118.97 1pkt s ASP 68 Ca 0.00 0.29 -0.24 0.00 0.71 0.00 0.00 52.55 53.31 1pkt s ASP 68 Cb 0.00 -1.78 0.07 0.00 1.01 0.00 0.00 42.92 42.21 1pkt s ASP 68 CO 0.00 -0.40 0.73 0.72 0.21 0.00 0.00 175.17 176.42 1pkt s PHE 69 N -2.33 -0.39 -0.13 4.23 -0.12 -0.72 -2.07 117.98 116.45 1pkt s PHE 69 Ca 0.42 0.13 -0.29 0.00 -0.05 0.00 0.00 56.93 57.14 1pkt s PHE 69 Cb -0.10 0.59 -0.07 0.00 -0.63 0.00 0.00 43.02 42.82 1pkt s PHE 69 CO 0.35 -0.86 2.13 -2.30 -0.05 0.00 0.00 175.22 174.50 1pkt n PRO 70 N -0.37 2.26 -0.05 1.99 -0.02 -1.26 -1.83 135.00 135.71 1pkt n PRO 70 Ca -0.11 0.72 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1pkt n PRO 70 Cb 0.63 -3.12 0.29 0.00 -0.02 0.00 0.00 33.50 31.27 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 13.28 0.68 2.00 -1.23 0.00 -1.55 -1.39 103.07 114.86 1pkt h GLY 71 Ca -0.44 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1pkt h GLY 71 CO 0.95 0.34 0.00 -1.30 0.00 0.00 0.00 176.54 176.54 1pkt n THR 72 N -4.32 1.24 -0.43 4.70 -2.24 -1.12 -1.37 114.28 110.73 1pkt n THR 72 Ca 0.03 0.65 0.08 0.00 -2.27 0.00 0.00 64.05 62.54 1pkt n THR 72 Cb 0.19 -1.65 0.33 0.00 -2.10 0.00 0.00 70.33 67.11 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 -2.08 1.44 -4.60 4.78 4.02 -0.52 -4.77 117.16 115.42 1pkt n TYR 73 Ca -0.01 -0.56 -0.28 0.00 -0.01 0.00 0.00 57.90 57.04 1pkt n TYR 73 Cb 0.04 -0.27 -0.07 0.00 -0.02 0.00 0.00 39.34 39.02 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 0.92 0.00 -3.42 -0.72 0.24 -0.47 -0.37 118.33 114.51 1pkt n VAL 74 Ca 0.23 -2.43 -0.23 0.00 -2.04 0.00 0.00 64.34 59.87 1pkt n VAL 74 Cb 0.86 0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 33.87 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 -3.69 0.54 0.58 7.34 -1.05 -0.24 -4.78 118.70 117.40 1pkt s GLU 75 Ca 0.14 -0.99 -0.11 0.00 -0.15 0.00 0.00 54.97 53.85 1pkt s GLU 75 Cb 0.01 -1.01 -0.09 0.00 -0.44 0.00 0.00 34.13 32.59 1pkt s GLU 75 CO 0.10 -1.18 -0.58 0.98 0.95 0.00 0.00 175.26 175.53 1pkt n TYR 76 N 4.31 -2.45 -1.85 4.83 9.36 -1.26 -1.18 117.16 128.91 1pkt n TYR 76 Ca 0.09 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.40 1pkt n TYR 76 Cb 0.41 -0.82 0.00 0.00 -0.63 0.00 0.00 39.34 38.30 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 -1.60 0.00 0.00 2.97 2.08 0.45 -4.58 119.36 118.68 1pkt n ILE 77 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1pkt n ILE 77 Cb 0.35 0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 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 0.00 2.90 0.16 7.39 0.00 -1.21 -4.80 105.19 109.62 1pkt n GLY 78 Ca 0.00 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.01 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86