#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 0.93 2.88 0.62 0.00 -1.26 -4.69 105.19 103.67 1pkt n GLY 5 Ca 0.00 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.76 -0.55 -0.28 1.61 2.02 -0.21 -4.72 117.35 113.46 1pkt s TYR 6 Ca 0.00 0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 57.24 1pkt s TYR 6 Cb 0.00 -0.12 -0.05 0.00 -0.40 0.00 0.00 41.96 41.39 1pkt s TYR 6 CO 0.00 -0.61 0.20 -0.65 -1.57 0.00 0.00 175.55 172.92 1pkt s GLN 7 N 2.45 3.96 0.55 -0.62 -0.21 -0.53 -2.10 119.66 123.15 1pkt s GLN 7 Ca 0.08 -0.30 0.07 0.00 0.02 0.00 0.00 55.36 55.22 1pkt s GLN 7 Cb -0.15 -3.65 0.05 0.00 1.00 0.00 0.00 33.01 30.26 1pkt s GLN 7 CO -0.13 -0.17 0.51 0.71 -2.12 0.00 0.00 175.29 174.09 1pkt s TYR 8 N 1.74 1.56 0.07 0.91 2.02 -0.80 -2.54 117.35 120.31 1pkt s TYR 8 Ca 0.07 -0.81 0.06 0.00 -0.37 0.00 0.00 57.07 56.03 1pkt s TYR 8 Cb -0.16 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1pkt s TYR 8 CO 0.11 -0.67 -0.10 0.50 -1.57 0.00 0.00 175.55 173.82 1pkt s ARG 9 N -4.39 2.21 -0.51 -0.62 3.52 -0.92 -2.17 118.95 116.08 1pkt s ARG 9 Ca 0.42 -0.95 -0.28 0.00 -0.13 0.00 0.00 55.73 54.78 1pkt s ARG 9 Cb -0.03 -2.33 0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1pkt s ARG 9 CO 0.26 0.53 1.44 0.00 -0.81 0.00 0.00 175.30 176.72 1pkt s ALA 10 N -1.12 2.86 -0.10 6.12 0.00 -0.85 -1.01 121.76 127.66 1pkt s ALA 10 Ca 0.19 -0.49 0.14 0.00 0.00 0.00 0.00 51.96 51.81 1pkt s ALA 10 Cb -0.11 -4.05 -0.08 0.00 0.00 0.00 0.00 23.12 18.88 1pkt s ALA 10 CO 0.11 -2.79 1.11 -0.07 0.00 0.00 0.00 175.76 174.12 1pkt h LEU 11 N 12.93 0.00 0.00 0.00 3.38 -1.32 -2.83 115.31 127.48 1pkt h LEU 11 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1pkt h LEU 11 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1pkt h LEU 11 CO 1.15 0.63 0.00 -1.22 0.09 0.00 0.00 178.44 179.09 1pkt n TYR 12 N -3.09 0.00 -4.15 1.13 4.02 -0.99 -4.71 117.16 109.37 1pkt n TYR 12 Ca -0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.69 1pkt n TYR 12 Cb 0.83 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 40.01 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 0.86 0.74 0.33 7.72 -4.77 -1.26 -0.97 116.67 119.31 1pkt s ASP 13 Ca 0.00 -0.25 0.09 0.00 -3.30 0.00 0.00 52.55 49.09 1pkt s ASP 13 Cb 0.00 -0.04 -0.05 0.00 -1.09 0.00 0.00 42.92 41.74 1pkt s ASP 13 CO 0.00 -0.02 -0.02 -0.47 0.70 0.00 0.00 175.17 175.36 1pkt s TYR 14 N -0.54 2.52 -0.05 2.11 5.04 0.01 -4.74 117.35 121.69 1pkt s TYR 14 Ca -0.02 -0.41 0.17 0.00 -2.44 0.00 0.00 57.07 54.37 1pkt s TYR 14 Cb -0.05 -1.40 -0.26 0.00 0.35 0.00 0.00 41.96 40.61 1pkt s TYR 14 CO 0.00 0.53 0.38 1.63 -1.34 0.00 0.00 175.55 176.75 1pkt n LYS 15 N -0.89 0.55 -1.82 4.97 4.76 -1.26 -1.71 118.16 122.76 1pkt n LYS 15 Ca -0.05 -0.15 -0.02 0.00 -2.87 0.00 0.00 58.31 55.23 1pkt n LYS 15 Cb 0.62 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 1pkt n LYS 15 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1pkt n LYS 16 N -2.06 -0.60 -0.07 1.97 0.00 -1.26 -4.50 118.16 111.64 1pkt n LYS 16 Ca -0.03 0.90 -0.10 0.00 0.00 0.00 0.00 58.31 59.09 1pkt n LYS 16 Cb 0.43 -2.45 -0.07 0.00 0.00 0.00 0.00 35.03 32.94 1pkt n LYS 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1pkt h GLU 17 N 0.50 0.00 -6.95 1.64 5.08 -1.95 -3.47 114.58 109.43 1pkt h GLU 17 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1pkt h GLU 17 Cb 0.21 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.50 1pkt h GLU 17 CO 0.05 0.50 0.10 0.50 -1.00 0.00 0.00 179.01 179.15 1pkt s ARG 18 N -2.07 3.25 0.00 2.33 6.06 -1.26 -4.94 118.95 122.32 1pkt s ARG 18 Ca -0.15 0.01 0.17 0.00 -2.50 0.00 0.00 55.73 53.26 1pkt s ARG 18 Cb 0.01 -2.37 0.89 0.00 0.06 0.00 0.00 34.95 33.54 1pkt s ARG 18 CO 0.37 -0.38 1.45 -1.91 -2.50 0.00 0.00 175.30 172.33 1pkt n GLU 19 N -2.34 0.34 -0.62 5.12 4.07 -1.26 -2.17 120.64 123.78 1pkt n GLU 19 Ca 0.02 0.08 0.09 0.00 -0.06 0.00 0.00 57.16 57.30 1pkt n GLU 19 Cb 0.56 -1.50 0.36 0.00 -0.06 0.00 0.00 31.44 30.81 1pkt n GLU 19 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1pkt n GLU 20 N -1.18 3.74 -4.37 5.31 0.28 -1.26 -4.94 120.64 118.23 1pkt n GLU 20 Ca 0.10 -2.87 -0.19 0.00 -0.16 0.00 0.00 57.16 54.04 1pkt n GLU 20 Cb 0.10 -1.90 -0.10 0.00 1.43 0.00 0.00 31.44 30.97 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 -0.89 2.42 0.03 -1.84 -4.77 -0.92 -1.15 116.67 109.54 1pkt s ASP 21 Ca 0.51 -1.14 0.05 0.00 -3.30 0.00 0.00 52.55 48.68 1pkt s ASP 21 Cb 0.33 -0.11 -0.02 0.00 -1.09 0.00 0.00 42.92 42.04 1pkt s ASP 21 CO 0.25 -0.34 -0.16 0.27 0.70 0.00 0.00 175.17 175.89 1pkt s ILE 22 N -3.13 1.27 -0.00 2.11 -0.00 -0.76 -4.70 121.20 115.99 1pkt s ILE 22 Ca 0.26 -0.96 -0.31 0.00 -0.00 0.00 0.00 60.65 59.65 1pkt s ILE 22 Cb 0.03 -1.11 -0.09 0.00 -0.00 0.00 0.00 42.46 41.29 1pkt s ILE 22 CO 0.09 0.14 1.98 0.47 -0.00 0.00 0.00 174.94 177.61 1pkt n ASP 23 N 2.09 3.99 -4.95 4.36 9.92 -1.26 -4.37 116.55 126.32 1pkt n ASP 23 Ca -0.17 0.88 -0.23 0.00 -0.53 0.00 0.00 54.79 54.74 1pkt n ASP 23 Cb 0.54 -1.50 -0.02 0.00 -0.64 0.00 0.00 41.12 39.51 1pkt n ASP 23 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1pkt s LEU 24 N 4.62 4.18 -0.28 0.64 2.01 -0.69 -4.72 118.68 124.43 1pkt s LEU 24 Ca 0.90 0.27 -0.13 0.00 0.01 0.00 0.00 54.13 55.18 1pkt s LEU 24 Cb -0.48 -3.08 0.10 0.00 0.01 0.00 0.00 46.19 42.74 1pkt s LEU 24 CO 0.44 -0.16 0.65 -1.00 1.01 0.00 0.00 176.35 177.29 1pkt s HIS 25 N -2.11 -1.16 0.06 0.29 3.76 -1.16 -0.81 115.29 114.15 1pkt s HIS 25 Ca 0.37 2.17 -0.36 0.00 -0.15 0.00 0.00 55.06 57.09 1pkt s HIS 25 Cb -0.09 0.69 -0.15 0.00 1.11 0.00 0.00 32.58 34.13 1pkt s HIS 25 CO 0.32 -0.58 1.49 -0.11 -0.85 0.00 0.00 174.74 175.00 1pkt n LEU 26 N 4.84 2.25 0.00 0.89 7.94 -0.15 -1.80 117.00 130.97 1pkt n LEU 26 Ca -0.16 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1pkt n LEU 26 Cb 0.54 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1pkt n LEU 26 CO -0.02 -0.70 0.00 0.61 -1.11 0.00 0.00 177.39 176.16 1pkt n GLY 27 N 3.07 1.38 3.95 -3.96 0.00 -1.07 -4.99 105.19 103.58 1pkt n GLY 27 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1pkt n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pkt n ASP 28 N 0.00 1.13 -4.23 1.61 5.68 -0.74 -4.87 116.55 115.13 1pkt n ASP 28 Ca 0.00 -2.03 -0.22 0.00 -0.50 0.00 0.00 54.79 52.04 1pkt n ASP 28 Cb 0.00 -0.73 -0.12 0.00 -1.14 0.00 0.00 41.12 39.12 1pkt n ASP 28 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1pkt s ILE 29 N -3.31 1.44 -0.13 2.12 -1.09 -1.26 -2.00 121.20 116.96 1pkt s ILE 29 Ca 0.69 -1.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.75 1pkt s ILE 29 Cb -0.03 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.54 1pkt s ILE 29 CO 0.47 -0.09 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.16 1pkt s LEU 30 N -1.72 1.80 -0.93 2.97 1.02 -0.92 -2.85 118.68 118.05 1pkt s LEU 30 Ca 0.03 -0.49 -0.12 0.00 0.02 0.00 0.00 54.13 53.57 1pkt s LEU 30 Cb -0.10 -1.20 0.24 0.00 0.02 0.00 0.00 46.19 45.15 1pkt s LEU 30 CO 0.03 0.00 0.90 -0.89 0.02 0.00 0.00 176.35 176.41 1pkt s THR 31 N 1.13 5.73 -0.33 5.49 2.01 -0.85 -1.90 115.64 126.92 1pkt s THR 31 Ca -0.02 -2.78 -0.15 0.00 0.31 0.00 0.00 61.69 59.04 1pkt s THR 31 Cb -0.14 -4.53 -0.02 0.00 0.01 0.00 0.00 72.50 67.82 1pkt s THR 31 CO -0.05 -1.10 0.38 -0.69 -0.69 0.00 0.00 174.62 172.47 1pkt s VAL 32 N -0.27 5.16 1.00 3.82 1.01 -0.89 -1.51 120.40 128.71 1pkt s VAL 32 Ca 0.23 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1pkt s VAL 32 Cb -0.10 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.61 1pkt s VAL 32 CO -0.09 -0.05 0.74 0.59 0.00 0.00 0.00 175.10 176.30 1pkt n ASN 33 N 5.40 -1.16 0.03 3.32 3.02 -1.26 -1.04 115.26 123.58 1pkt n ASN 33 Ca -0.09 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1pkt n ASN 33 Cb 0.50 -1.29 -0.08 0.00 -0.61 0.00 0.00 39.78 38.30 1pkt n ASN 33 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1pkt n LYS 34 N -3.29 0.62 0.12 3.52 2.85 -1.26 -3.93 118.16 116.80 1pkt n LYS 34 Ca 0.07 0.21 -0.07 0.00 -1.05 0.00 0.00 58.31 57.47 1pkt n LYS 34 Cb 0.54 -1.80 -0.04 0.00 -0.65 0.00 0.00 35.03 33.08 1pkt n LYS 34 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1pkt h GLY 35 N 3.73 -0.40 0.73 2.58 0.00 -1.96 -1.06 103.07 106.69 1pkt h GLY 35 Ca -0.16 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1pkt h GLY 35 CO 0.04 -0.15 0.55 1.76 0.00 0.00 0.00 176.54 178.75 1pkt h SER 36 N -1.07 0.00 0.39 0.19 0.02 -1.97 0.38 113.55 111.49 1pkt h SER 36 Ca -0.04 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.60 1pkt h SER 36 Cb 0.37 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1pkt h SER 36 CO 0.06 0.00 -1.79 -0.11 -1.14 0.00 0.00 176.83 173.85 1pkt n LEU 37 N -3.23 1.35 -0.11 5.07 0.00 -1.19 -3.82 117.00 115.08 1pkt n LEU 37 Ca 0.05 0.36 0.15 0.00 0.00 0.00 0.00 56.01 56.57 1pkt n LEU 37 Cb 0.68 -0.18 0.84 0.00 0.00 0.00 0.00 43.42 44.76 1pkt n LEU 37 CO 0.19 0.52 1.05 0.52 0.00 0.00 0.00 177.39 179.66 1pkt n VAL 38 N -3.16 0.00 0.28 1.96 0.31 0.12 -3.79 118.33 114.05 1pkt n VAL 38 Ca -0.21 -0.06 0.15 0.00 -0.01 0.00 0.00 64.34 64.22 1pkt n VAL 38 Cb 1.05 -0.27 0.75 0.00 -0.91 0.00 0.00 33.84 34.46 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 4.04 1.55 -0.98 3.52 0.00 -1.25 0.30 119.26 126.45 1pkt h ALA 39 Ca 0.00 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1pkt h ALA 39 Cb 0.13 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.63 1pkt h ALA 39 CO 0.00 -0.46 0.74 1.28 0.00 0.00 0.00 179.25 180.81 1pkt n LEU 40 N -3.02 7.34 -4.02 0.00 4.77 -1.25 -4.88 117.00 115.93 1pkt n LEU 40 Ca 0.00 -4.17 -0.27 0.00 -0.03 0.00 0.00 56.01 51.55 1pkt n LEU 40 Cb 0.48 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 1pkt n LEU 40 CO 0.15 1.41 -0.26 0.61 -1.33 0.00 0.00 177.39 177.97 1pkt n GLY 41 N -0.96 -0.21 0.16 -0.72 0.00 0.11 -4.91 105.19 98.64 1pkt n GLY 41 Ca 0.61 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.77 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 -4.43 -2.03 -4.22 1.61 3.01 -1.22 -5.04 117.46 105.15 1pkt n PHE 42 Ca -0.30 -0.04 -0.20 0.00 1.01 0.00 0.00 57.45 57.92 1pkt n PHE 42 Cb 0.68 -0.06 -0.12 0.00 -0.01 0.00 0.00 39.48 39.97 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 -2.02 2.02 0.04 4.37 0.01 -1.26 -5.06 113.70 111.80 1pkt s SER 43 Ca 0.03 -0.67 -0.31 0.00 1.31 0.00 0.00 55.95 56.31 1pkt s SER 43 Cb -0.01 -0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.05 1pkt s SER 43 CO 0.03 -0.04 1.95 -0.67 0.41 0.00 0.00 173.24 174.92 1pkt n ASP 44 N 1.09 4.11 0.00 2.44 2.03 -1.26 -1.33 116.55 123.62 1pkt n ASP 44 Ca -0.20 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.03 1pkt n ASP 44 Cb 0.54 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 4.50 2.34 0.06 0.27 0.00 -1.26 -4.86 105.19 106.23 1pkt n GLY 45 Ca 0.20 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.07 0.17 1.61 6.02 -0.44 -1.53 117.38 123.28 1pkt n GLN 46 Ca 0.00 0.42 0.07 0.00 -0.01 0.00 0.00 57.00 57.48 1pkt n GLN 46 Cb 0.00 -1.67 0.09 0.00 1.02 0.00 0.00 30.24 29.68 1pkt n GLN 46 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1pkt h GLU 47 N 0.00 0.00 -0.01 -1.09 4.39 -1.90 -3.15 114.58 112.83 1pkt h GLU 47 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1pkt h GLU 47 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1pkt h GLU 47 CO 0.00 0.22 -0.20 0.00 -1.16 0.00 0.00 179.01 177.87 1pkt n ALA 48 N -2.17 2.96 -3.55 3.43 0.00 -0.58 -4.36 120.51 116.24 1pkt n ALA 48 Ca 0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 1pkt n ALA 48 Cb 0.63 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.76 2.52 -0.07 0.00 5.12 -1.19 -4.42 116.66 117.85 1pkt n ARG 49 Ca 0.13 -4.59 0.17 0.00 -1.93 0.00 0.00 57.85 51.62 1pkt n ARG 49 Cb 0.32 -2.31 0.59 0.00 -1.16 0.00 0.00 32.46 29.90 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 4.85 0.22 -0.52 5.56 0.11 -1.78 0.45 132.00 140.88 1pkt h PRO 50 Ca 0.18 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1pkt h PRO 50 Cb 0.70 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1pkt h PRO 50 CO 0.85 0.14 0.21 1.05 -0.21 0.00 0.00 178.00 180.04 1pkt h GLU 51 N 0.22 0.74 -0.01 1.05 4.11 -1.87 -1.93 114.58 116.90 1pkt h GLU 51 Ca 0.29 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1pkt h GLU 51 Cb 0.84 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1pkt h GLU 51 CO -0.06 0.61 -0.29 0.39 0.07 0.00 0.00 179.01 179.73 1pkt n GLU 52 N -4.35 1.27 0.12 1.06 1.02 0.00 -4.14 120.64 115.63 1pkt n GLU 52 Ca 0.04 -0.94 -0.19 0.00 -0.02 0.00 0.00 57.16 56.05 1pkt n GLU 52 Cb 0.15 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1pkt h ILE 53 N 2.30 1.41 0.00 -3.67 2.04 -0.35 -3.49 117.51 115.75 1pkt h ILE 53 Ca 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1pkt h ILE 53 Cb 0.67 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 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 1.54 2.13 2.96 5.37 0.00 -1.13 -4.94 105.19 111.12 1pkt n GLY 54 Ca -0.11 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.17 0.00 1.61 0.52 -1.26 -1.74 118.94 117.90 1pkt s TRP 55 Ca 0.00 0.47 0.07 0.00 0.02 0.00 0.00 56.10 56.66 1pkt s TRP 55 Cb 0.00 -0.04 -0.03 0.00 -1.15 0.00 0.00 33.47 32.25 1pkt s TRP 55 CO 0.00 -0.14 -0.21 -0.51 0.02 0.00 0.00 176.95 176.11 1pkt s LEU 56 N 0.87 2.40 -0.34 2.99 1.02 -0.88 -4.88 118.68 119.86 1pkt s LEU 56 Ca -0.07 -0.41 -0.09 0.00 0.02 0.00 0.00 54.13 53.58 1pkt s LEU 56 Cb -0.09 -1.44 0.02 0.00 0.02 0.00 0.00 46.19 44.71 1pkt s LEU 56 CO -0.04 0.30 0.16 0.21 0.02 0.00 0.00 176.35 176.99 1pkt s ASN 57 N -1.00 5.53 0.00 2.29 3.04 -1.26 -1.85 114.94 121.70 1pkt s ASN 57 Ca 0.12 -0.90 0.00 0.00 0.04 0.00 0.00 52.86 52.12 1pkt s ASN 57 Cb -0.10 -1.97 0.00 0.00 -1.54 0.00 0.00 41.25 37.64 1pkt s ASN 57 CO 0.02 -0.31 0.00 0.61 -3.04 0.00 0.00 177.10 174.38 1pkt n GLY 58 N 4.94 5.09 3.19 1.21 0.00 -0.46 -3.99 105.19 115.17 1pkt n GLY 58 Ca -0.13 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.08 3.10 -1.28 1.61 5.04 -0.57 -2.13 117.35 122.03 1pkt s TYR 59 Ca 0.00 -1.65 -0.19 0.00 -2.44 0.00 0.00 57.07 52.80 1pkt s TYR 59 Cb 0.00 -2.06 0.04 0.00 0.35 0.00 0.00 41.96 40.29 1pkt s TYR 59 CO 0.00 -0.75 1.81 0.09 -1.34 0.00 0.00 175.55 175.36 1pkt n ASN 60 N 4.65 4.50 -0.32 4.32 4.13 0.59 -2.01 115.26 131.11 1pkt n ASN 60 Ca -0.16 -2.87 0.16 0.00 1.68 0.00 0.00 54.58 53.39 1pkt n ASN 60 Cb 0.46 -1.73 0.33 0.00 -1.54 0.00 0.00 39.78 37.30 1pkt n ASN 60 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1pkt h GLU 61 N 7.81 0.09 -0.01 3.52 4.22 -1.76 0.65 114.58 129.10 1pkt h GLU 61 Ca 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.86 1pkt h GLU 61 Cb 0.86 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1pkt h GLU 61 CO 1.46 0.06 -0.01 1.15 -2.18 0.00 0.00 179.01 179.50 1pkt h THR 62 N 0.10 0.00 -0.02 0.32 2.02 -1.87 0.16 112.91 113.62 1pkt h THR 62 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.79 1pkt h THR 62 Cb 1.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1pkt h THR 62 CO -0.78 0.00 0.00 1.07 0.37 0.00 0.00 175.52 176.18 1pkt n THR 63 N -2.72 0.03 -3.75 3.16 5.66 -0.75 -4.89 114.28 111.02 1pkt n THR 63 Ca -0.00 -0.04 -0.23 0.00 -3.05 0.00 0.00 64.05 60.73 1pkt n THR 63 Cb 0.01 -0.14 0.03 0.00 -1.55 0.00 0.00 70.33 68.67 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 0.74 -0.32 3.64 1.09 0.00 0.22 -4.99 105.19 105.59 1pkt n GLY 64 Ca 0.10 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -6.12 2.01 -0.18 1.61 2.02 -0.95 -4.94 118.70 112.14 1pkt s GLU 65 Ca 0.11 -2.19 -0.05 0.00 0.02 0.00 0.00 54.97 52.85 1pkt s GLU 65 Cb -0.05 -1.48 0.09 0.00 0.10 0.00 0.00 34.13 32.78 1pkt s GLU 65 CO 0.82 -0.18 0.34 0.50 0.02 0.00 0.00 175.26 176.76 1pkt s ARG 66 N -3.78 0.25 0.00 1.61 3.52 -1.26 -0.30 118.95 118.99 1pkt s ARG 66 Ca 0.25 0.81 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1pkt s ARG 66 Cb 0.07 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1pkt s ARG 66 CO 0.13 -0.34 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 1pkt n GLY 67 N 5.37 1.37 3.80 8.12 0.00 -0.91 -4.96 105.19 117.98 1pkt n GLY 67 Ca -0.07 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 2.00 4.99 0.05 1.61 1.11 -0.30 -1.35 116.67 124.78 1pkt s ASP 68 Ca 0.00 -0.64 -0.27 0.00 0.18 0.00 0.00 52.55 51.82 1pkt s ASP 68 Cb 0.00 -0.84 0.09 0.00 1.07 0.00 0.00 42.92 43.23 1pkt s ASP 68 CO 0.00 -0.34 0.85 0.72 1.18 0.00 0.00 175.17 177.59 1pkt s PHE 69 N -2.37 -0.34 0.13 4.23 -0.12 -0.77 -1.84 117.98 116.90 1pkt s PHE 69 Ca 0.40 0.16 -0.33 0.00 -0.05 0.00 0.00 56.93 57.11 1pkt s PHE 69 Cb -0.04 0.56 -0.12 0.00 -0.63 0.00 0.00 43.02 42.79 1pkt s PHE 69 CO 0.25 -0.65 1.75 -2.30 -0.05 0.00 0.00 175.22 174.21 1pkt n PRO 70 N -0.31 2.53 0.06 1.99 -0.02 -1.26 -2.07 135.00 135.93 1pkt n PRO 70 Ca -0.09 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.24 1pkt n PRO 70 Cb 0.62 -2.76 0.09 0.00 -0.02 0.00 0.00 33.50 31.43 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 7.53 0.38 1.90 -1.23 0.00 -1.51 -2.53 103.07 107.61 1pkt h GLY 71 Ca -0.46 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1pkt h GLY 71 CO 0.93 0.42 0.00 -1.30 0.00 0.00 0.00 176.54 176.59 1pkt n THR 72 N -3.89 1.31 -0.54 4.70 -2.24 -1.23 -1.32 114.28 111.07 1pkt n THR 72 Ca -0.03 0.33 0.08 0.00 -2.27 0.00 0.00 64.05 62.16 1pkt n THR 72 Cb 0.63 -1.19 0.35 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.45 1.57 -4.21 4.78 4.02 -0.95 -4.85 117.16 116.07 1pkt n TYR 73 Ca 0.02 -0.59 -0.12 0.00 -0.01 0.00 0.00 57.90 57.20 1pkt n TYR 73 Cb 0.09 -0.31 -0.04 0.00 -0.02 0.00 0.00 39.34 39.05 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 0.91 0.00 -3.15 -0.72 0.24 -0.43 -0.99 118.33 114.19 1pkt n VAL 74 Ca 0.25 -1.36 -0.05 0.00 -2.04 0.00 0.00 64.34 61.13 1pkt n VAL 74 Cb 0.93 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 -2.81 0.85 0.18 7.34 -1.05 -0.18 -4.61 118.70 118.41 1pkt s GLU 75 Ca 0.18 -0.66 -0.32 0.00 -0.15 0.00 0.00 54.97 54.02 1pkt s GLU 75 Cb 0.01 -0.18 -0.16 0.00 -0.44 0.00 0.00 34.13 33.36 1pkt s GLU 75 CO 0.13 -1.23 1.01 0.98 0.95 0.00 0.00 175.26 177.10 1pkt n TYR 76 N 3.96 0.89 -1.58 4.83 9.36 -1.26 -2.17 117.16 131.20 1pkt n TYR 76 Ca 0.14 0.78 0.02 0.00 3.32 0.00 0.00 57.90 62.15 1pkt n TYR 76 Cb 0.54 -2.20 0.03 0.00 -0.63 0.00 0.00 39.34 37.08 1pkt n TYR 76 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 1pkt n ILE 77 N 1.03 0.39 0.00 2.97 -6.64 -1.05 -4.88 119.36 111.18 1pkt n ILE 77 Ca 0.15 -0.46 0.00 0.00 -1.77 0.00 0.00 62.75 60.67 1pkt n ILE 77 Cb 0.24 0.44 0.00 0.00 -1.44 0.00 0.00 39.64 38.88 1pkt n ILE 77 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1pkt n GLY 78 N -0.29 0.21 0.00 3.28 0.00 -1.25 -5.03 105.19 102.11 1pkt n GLY 78 Ca 0.03 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36