#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 -0.87 3.04 -1.84 0.00 -1.26 -4.59 105.19 99.67 1pkt n GLY 5 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.00 0.94 -0.05 1.61 2.02 0.38 -4.42 117.35 113.83 1pkt s TYR 6 Ca 0.00 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1pkt s TYR 6 Cb 0.00 -0.62 0.03 0.00 -0.40 0.00 0.00 41.96 40.97 1pkt s TYR 6 CO 0.00 -0.04 0.03 -1.14 -1.57 0.00 0.00 175.55 172.83 1pkt s GLN 7 N -0.14 0.21 0.50 -0.62 0.74 -0.50 -0.35 119.66 119.50 1pkt s GLN 7 Ca 0.02 0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.68 1pkt s GLN 7 Cb -0.05 -0.63 -0.02 0.00 1.10 0.00 0.00 33.01 33.41 1pkt s GLN 7 CO -0.00 -0.27 0.06 0.71 -0.55 0.00 0.00 175.29 175.23 1pkt s TYR 8 N 1.82 1.94 -0.17 1.67 2.02 -0.92 -2.54 117.35 121.17 1pkt s TYR 8 Ca 0.01 -0.89 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 1pkt s TYR 8 Cb -0.12 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 1pkt s TYR 8 CO -0.03 0.17 -0.16 0.50 -1.57 0.00 0.00 175.55 174.46 1pkt s ARG 9 N -3.91 3.16 -0.52 -0.62 3.52 -0.98 -2.17 118.95 117.43 1pkt s ARG 9 Ca 0.14 -0.76 -0.34 0.00 -0.13 0.00 0.00 55.73 54.64 1pkt s ARG 9 Cb 0.02 -2.65 -0.14 0.00 -1.56 0.00 0.00 34.95 30.63 1pkt s ARG 9 CO 0.08 -0.08 2.33 0.00 -0.81 0.00 0.00 175.30 176.81 1pkt n ALA 10 N 4.32 0.77 0.04 6.12 0.00 -0.48 -1.25 120.51 130.04 1pkt n ALA 10 Ca -0.20 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 1pkt n ALA 10 Cb 0.51 -2.55 -0.12 0.00 0.00 0.00 0.00 19.45 17.29 1pkt n ALA 10 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pkt h LEU 11 N 13.18 0.00 0.00 0.00 3.38 -1.11 -2.59 115.31 128.18 1pkt h LEU 11 Ca -0.20 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.43 1pkt h LEU 11 Cb 1.32 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 1pkt h LEU 11 CO 1.13 0.95 -0.27 -1.22 0.09 0.00 0.00 178.44 179.12 1pkt n TYR 12 N -3.23 0.26 -3.76 1.13 4.02 -1.05 -4.68 117.16 109.86 1pkt n TYR 12 Ca -0.05 -1.48 -0.26 0.00 -0.01 0.00 0.00 57.90 56.10 1pkt n TYR 12 Cb 0.96 -0.06 0.01 0.00 -0.02 0.00 0.00 39.34 40.22 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 -2.49 4.68 -0.30 7.72 -4.77 -1.26 -3.13 116.67 117.12 1pkt s ASP 13 Ca 0.08 -1.23 -0.15 0.00 -3.30 0.00 0.00 52.55 47.95 1pkt s ASP 13 Cb 0.00 0.50 0.18 0.00 -1.09 0.00 0.00 42.92 42.51 1pkt s ASP 13 CO 0.06 -1.20 1.12 -0.47 0.70 0.00 0.00 175.17 175.38 1pkt s TYR 14 N -2.78 -0.38 0.35 2.11 5.04 -0.25 -4.84 117.35 116.60 1pkt s TYR 14 Ca 0.37 0.48 -0.23 0.00 -2.44 0.00 0.00 57.07 55.25 1pkt s TYR 14 Cb -0.03 0.16 -0.10 0.00 0.35 0.00 0.00 41.96 42.34 1pkt s TYR 14 CO 0.24 -0.20 0.92 0.21 -1.34 0.00 0.00 175.55 175.37 1pkt s LYS 15 N 2.74 4.40 -0.27 4.97 2.20 -1.26 -0.72 119.74 131.79 1pkt s LYS 15 Ca -0.03 1.18 -0.34 0.00 -0.36 0.00 0.00 55.97 56.42 1pkt s LYS 15 Cb -0.08 -2.56 -0.11 0.00 -1.51 0.00 0.00 37.83 33.58 1pkt s LYS 15 CO -0.12 0.17 2.11 1.17 -0.36 0.00 0.00 175.35 178.32 1pkt n LYS 16 N 0.09 1.44 0.00 4.03 4.81 -1.26 -4.81 118.16 122.45 1pkt n LYS 16 Ca 0.04 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1pkt n LYS 16 Cb 0.52 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1pkt n LYS 16 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pkt n GLU 17 N 7.85 0.00 -1.52 1.64 2.13 -1.26 -5.04 120.64 124.43 1pkt n GLU 17 Ca 0.35 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.86 1pkt n GLU 17 Cb 0.27 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.04 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 0.00 2.78 0.00 5.31 0.52 -1.26 -4.90 118.95 121.41 1pkt s ARG 18 Ca 0.00 1.03 0.22 0.00 -0.52 0.00 0.00 55.73 56.46 1pkt s ARG 18 Cb 0.00 -1.97 1.29 0.00 0.52 0.00 0.00 34.95 34.79 1pkt s ARG 18 CO 0.00 -1.22 1.68 -1.91 0.02 0.00 0.00 175.30 173.86 1pkt n GLU 19 N -3.16 0.66 0.00 3.54 2.13 -1.26 -2.36 120.64 120.19 1pkt n GLU 19 Ca 0.08 0.01 0.08 0.00 0.66 0.00 0.00 57.16 57.99 1pkt n GLU 19 Cb 0.53 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.74 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 -1.02 1.69 -4.06 5.31 1.02 -1.26 -4.98 120.64 117.34 1pkt n GLU 20 Ca 0.16 -0.77 -0.23 0.00 -0.02 0.00 0.00 57.16 56.30 1pkt n GLU 20 Cb 0.08 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.92 4.60 0.42 1.62 -4.77 -1.00 -1.13 116.67 114.49 1pkt s ASP 21 Ca 0.13 -0.90 0.03 0.00 -3.30 0.00 0.00 52.55 48.51 1pkt s ASP 21 Cb 0.13 -0.60 -0.02 0.00 -1.09 0.00 0.00 42.92 41.33 1pkt s ASP 21 CO 0.42 -0.44 0.10 0.27 0.70 0.00 0.00 175.17 176.22 1pkt s ILE 22 N -2.50 0.74 0.87 2.11 -4.36 -0.52 -4.72 121.20 112.83 1pkt s ILE 22 Ca 0.40 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.68 1pkt s ILE 22 Cb 0.00 -2.34 0.12 0.00 1.25 0.00 0.00 42.46 41.48 1pkt s ILE 22 CO 0.23 0.00 1.09 -1.81 0.24 0.00 0.00 174.94 174.69 1pkt s ASP 23 N -3.65 3.63 -0.11 4.36 1.11 -1.26 -4.43 116.67 116.32 1pkt s ASP 23 Ca 0.21 1.58 -0.30 0.00 0.18 0.00 0.00 52.55 54.23 1pkt s ASP 23 Cb 0.03 -2.26 0.08 0.00 1.07 0.00 0.00 42.92 41.83 1pkt s ASP 23 CO 0.13 -2.55 0.73 -0.22 1.18 0.00 0.00 175.17 174.44 1pkt s LEU 24 N -6.19 -0.64 -0.11 1.23 0.20 0.10 -4.89 118.68 108.37 1pkt s LEU 24 Ca 0.63 0.84 -0.24 0.00 0.69 0.00 0.00 54.13 56.04 1pkt s LEU 24 Cb -0.18 2.44 0.06 0.00 -0.43 0.00 0.00 46.19 48.07 1pkt s LEU 24 CO 0.57 -0.50 0.58 -1.00 -0.29 0.00 0.00 176.35 175.72 1pkt s HIS 25 N -0.83 -0.57 0.41 5.38 3.76 -1.25 -1.09 115.29 121.09 1pkt s HIS 25 Ca -0.07 1.16 -0.25 0.00 -0.15 0.00 0.00 55.06 55.75 1pkt s HIS 25 Cb -0.01 0.28 -0.11 0.00 1.11 0.00 0.00 32.58 33.85 1pkt s HIS 25 CO 0.07 -0.46 1.05 -0.11 -0.85 0.00 0.00 174.74 174.44 1pkt n LEU 26 N 1.69 2.73 0.00 0.89 7.94 -1.18 -1.35 117.00 127.71 1pkt n LEU 26 Ca -0.17 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 1pkt n LEU 26 Cb 0.56 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1pkt n LEU 26 CO 0.17 -1.35 0.00 0.61 -1.11 0.00 0.00 177.39 175.70 1pkt n GLY 27 N 1.13 2.70 3.63 -3.96 0.00 -0.97 -4.98 105.19 102.74 1pkt n GLY 27 Ca 0.09 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1pkt n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pkt n ASP 28 N 0.58 0.09 -4.41 1.61 2.03 -0.46 -4.74 116.55 111.25 1pkt n ASP 28 Ca 0.00 0.45 -0.32 0.00 0.52 0.00 0.00 54.79 55.44 1pkt n ASP 28 Cb 0.00 -1.44 -0.14 0.00 -0.72 0.00 0.00 41.12 38.82 1pkt n ASP 28 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1pkt s ILE 29 N -2.45 2.80 -0.14 5.18 1.09 -1.26 -1.38 121.20 125.04 1pkt s ILE 29 Ca 0.67 -0.81 0.01 0.00 -1.10 0.00 0.00 60.65 59.43 1pkt s ILE 29 Cb -0.25 -2.09 0.00 0.00 -1.06 0.00 0.00 42.46 39.06 1pkt s ILE 29 CO 0.58 0.58 -0.18 -0.76 -0.10 0.00 0.00 174.94 175.06 1pkt s LEU 30 N -0.44 2.36 -0.71 2.97 1.02 -0.92 -2.77 118.68 120.19 1pkt s LEU 30 Ca 0.05 -0.50 -0.12 0.00 0.02 0.00 0.00 54.13 53.58 1pkt s LEU 30 Cb -0.12 -1.52 0.18 0.00 0.02 0.00 0.00 46.19 44.75 1pkt s LEU 30 CO 0.02 0.09 0.63 -0.89 0.02 0.00 0.00 176.35 176.22 1pkt s THR 31 N 0.75 5.13 -0.37 5.49 2.01 -0.79 -2.17 115.64 125.69 1pkt s THR 31 Ca -0.07 -2.30 -0.13 0.00 0.31 0.00 0.00 61.69 59.50 1pkt s THR 31 Cb -0.16 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.13 1pkt s THR 31 CO 0.01 -0.95 0.24 -0.69 -0.69 0.00 0.00 174.62 172.53 1pkt s VAL 32 N 0.51 5.03 0.83 3.82 1.01 0.53 -1.27 120.40 130.86 1pkt s VAL 32 Ca 0.14 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1pkt s VAL 32 Cb -0.17 -3.70 0.17 0.00 0.00 0.00 0.00 36.38 32.68 1pkt s VAL 32 CO -0.05 -0.15 0.39 -0.46 0.00 0.00 0.00 175.10 174.83 1pkt n ASN 33 N 5.08 -2.81 0.02 3.32 6.94 -1.26 -0.47 115.26 126.09 1pkt n ASN 33 Ca -0.12 -0.40 -0.05 0.00 -0.02 0.00 0.00 54.58 53.99 1pkt n ASN 33 Cb 0.48 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 37.18 1pkt n ASN 33 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1pkt h LYS 34 N 0.00 0.00 0.42 -3.83 5.09 -1.85 -3.35 116.57 113.06 1pkt h LYS 34 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.54 1pkt h LYS 34 Cb 0.60 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.93 1pkt h LYS 34 CO 0.11 0.56 -0.20 0.78 -2.09 0.00 0.00 179.45 178.60 1pkt h GLY 35 N 3.44 -0.59 -0.47 0.07 0.00 -1.96 -1.78 103.07 101.78 1pkt h GLY 35 Ca -0.17 0.22 0.25 0.00 0.00 0.00 0.00 47.33 47.63 1pkt h GLY 35 CO 0.08 -0.22 0.99 0.23 0.00 0.00 0.00 176.54 177.63 1pkt h SER 36 N -0.95 0.00 0.16 0.19 0.87 -1.89 0.82 113.55 112.74 1pkt h SER 36 Ca -0.06 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.14 1pkt h SER 36 Cb 0.56 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1pkt h SER 36 CO 0.10 0.00 -1.87 0.25 -0.53 0.00 0.00 176.83 174.78 1pkt h LEU 37 N 0.00 0.52 0.00 2.23 5.85 -1.65 -3.30 115.31 118.96 1pkt h LEU 37 Ca 0.41 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1pkt h LEU 37 Cb 2.39 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 43.25 1pkt h LEU 37 CO -0.00 1.82 0.00 0.52 -0.34 0.00 0.00 178.44 180.44 1pkt n VAL 38 N -3.55 0.05 -0.31 1.05 0.31 0.25 -3.54 118.33 112.60 1pkt n VAL 38 Ca -0.28 0.01 0.25 0.00 -0.01 0.00 0.00 64.34 64.31 1pkt n VAL 38 Cb 1.06 -0.57 0.57 0.00 -0.91 0.00 0.00 33.84 33.99 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 3.56 2.44 0.11 3.52 0.00 -0.66 0.14 119.26 128.37 1pkt h ALA 39 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1pkt h ALA 39 Cb 0.11 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pkt h ALA 39 CO 0.00 -0.82 -0.78 1.25 0.00 0.00 0.00 179.25 178.91 1pkt h LEU 40 N 0.29 0.37 0.00 0.00 5.85 -1.83 -3.49 115.31 116.50 1pkt h LEU 40 Ca 0.57 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1pkt h LEU 40 Cb 1.64 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1pkt h LEU 40 CO -0.22 1.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.86 1pkt n GLY 41 N 1.66 1.92 0.00 3.75 0.00 0.47 -5.05 105.19 107.95 1pkt n GLY 41 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.02 0.00 -3.47 1.61 3.72 -1.26 -4.95 117.46 112.09 1pkt n PHE 42 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1pkt n PHE 42 Cb 0.00 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1pkt n PHE 42 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pkt s SER 43 N -2.16 -0.55 -1.39 4.37 0.15 -1.26 -5.05 113.70 107.80 1pkt s SER 43 Ca 0.00 0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 1pkt s SER 43 Cb 0.00 0.54 0.09 0.00 -1.71 0.00 0.00 66.02 64.93 1pkt s SER 43 CO 0.00 -0.80 2.15 -0.67 1.20 0.00 0.00 173.24 175.13 1pkt n ASP 44 N 0.01 4.95 0.00 5.45 2.03 -1.26 -3.49 116.55 124.24 1pkt n ASP 44 Ca -0.16 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.21 1pkt n ASP 44 Cb 0.62 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 3.40 0.10 1.80 0.27 0.00 -1.26 -4.98 105.19 104.53 1pkt n GLY 45 Ca 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 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 1.58 -0.04 1.61 6.02 -1.23 -4.19 117.38 121.13 1pkt n GLN 46 Ca 0.00 -1.06 0.12 0.00 -0.01 0.00 0.00 57.00 56.06 1pkt n GLN 46 Cb 0.00 -1.45 0.45 0.00 1.02 0.00 0.00 30.24 30.26 1pkt n GLN 46 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1pkt n GLU 47 N 0.87 1.71 -1.76 -1.09 0.00 -1.26 -3.97 120.64 115.13 1pkt n GLU 47 Ca 0.22 -1.05 -0.27 0.00 0.00 0.00 0.00 57.16 56.06 1pkt n GLU 47 Cb 0.56 -1.44 0.04 0.00 0.00 0.00 0.00 31.44 30.60 1pkt n GLU 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pkt n ALA 48 N 0.27 5.45 -2.73 -1.84 0.00 -1.26 -4.70 120.51 115.69 1pkt n ALA 48 Ca 0.18 -3.67 -0.09 0.00 0.00 0.00 0.00 53.44 49.86 1pkt n ALA 48 Cb 0.35 -0.82 0.08 0.00 0.00 0.00 0.00 19.45 19.06 1pkt n ALA 48 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1pkt n ARG 49 N -0.79 0.94 0.27 0.00 1.85 -1.25 -4.68 116.66 113.00 1pkt n ARG 49 Ca 0.50 -1.86 0.18 0.00 -1.00 0.00 0.00 57.85 55.67 1pkt n ARG 49 Cb 0.87 -1.14 0.93 0.00 -1.05 0.00 0.00 32.46 32.06 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1pkt h PRO 50 N 3.27 0.00 -0.72 2.89 0.13 -1.84 -2.48 132.00 133.25 1pkt h PRO 50 Ca -0.12 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.10 1pkt h PRO 50 Cb 1.08 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 1pkt h PRO 50 CO 0.18 0.00 0.47 1.05 -0.23 0.00 0.00 178.00 179.48 1pkt h GLU 51 N 0.00 0.65 -0.03 0.86 4.11 -1.87 -0.65 114.58 117.65 1pkt h GLU 51 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1pkt h GLU 51 Cb 0.09 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1pkt h GLU 51 CO 0.00 0.43 -0.08 -1.91 0.07 0.00 0.00 179.01 177.52 1pkt n GLU 52 N -4.49 1.95 0.09 1.06 0.00 -0.94 -4.28 120.64 114.03 1pkt n GLU 52 Ca 0.11 -1.67 -0.14 0.00 0.00 0.00 0.00 57.16 55.47 1pkt n GLU 52 Cb 0.29 -1.43 -0.13 0.00 0.00 0.00 0.00 31.44 30.17 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1pkt h ILE 53 N 3.99 1.55 0.00 6.31 2.04 -1.09 -3.49 117.51 126.82 1pkt h ILE 53 Ca 0.00 -3.13 0.00 0.00 1.00 0.00 0.00 64.86 62.73 1pkt h ILE 53 Cb 0.89 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1pkt h ILE 53 CO 0.00 0.91 0.00 0.61 0.00 0.00 0.00 178.15 179.67 1pkt n GLY 54 N 1.47 2.07 3.12 5.37 0.00 -1.10 -4.96 105.19 111.16 1pkt n GLY 54 Ca -0.06 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 0.73 0.04 1.61 0.52 -1.26 -2.26 118.94 118.31 1pkt s TRP 55 Ca 0.00 -0.84 -0.05 0.00 0.02 0.00 0.00 56.10 55.23 1pkt s TRP 55 Cb 0.00 -0.44 -0.01 0.00 -1.15 0.00 0.00 33.47 31.86 1pkt s TRP 55 CO 0.00 -0.19 0.08 -0.51 0.02 0.00 0.00 176.95 176.36 1pkt s LEU 56 N -2.61 1.85 -0.31 2.99 1.02 -0.84 -4.81 118.68 115.98 1pkt s LEU 56 Ca 0.04 -0.55 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 1pkt s LEU 56 Cb 0.02 0.56 0.05 0.00 0.02 0.00 0.00 46.19 46.84 1pkt s LEU 56 CO -0.05 -0.50 0.01 0.21 0.02 0.00 0.00 176.35 176.05 1pkt s ASN 57 N -2.12 4.93 0.00 2.29 3.84 -1.26 -1.26 114.94 121.36 1pkt s ASN 57 Ca -0.05 -1.29 0.00 0.00 0.21 0.00 0.00 52.86 51.73 1pkt s ASN 57 Cb -0.01 -1.72 0.00 0.00 -0.55 0.00 0.00 41.25 38.96 1pkt s ASN 57 CO -0.05 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.60 1pkt n GLY 58 N 4.63 5.78 3.06 1.21 0.00 -0.79 -4.30 105.19 114.78 1pkt n GLY 58 Ca -0.13 -1.64 -0.32 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 -0.53 3.01 -1.29 1.61 5.04 -0.40 -2.40 117.35 122.39 1pkt s TYR 59 Ca 0.00 -2.06 -0.18 0.00 -2.44 0.00 0.00 57.07 52.39 1pkt s TYR 59 Cb 0.00 -1.87 0.07 0.00 0.35 0.00 0.00 41.96 40.51 1pkt s TYR 59 CO 0.00 -0.84 1.73 -0.80 -1.34 0.00 0.00 175.55 174.30 1pkt s ASN 60 N 1.19 6.79 0.30 4.32 0.01 0.30 -1.88 114.94 125.98 1pkt s ASN 60 Ca -0.05 -2.40 0.06 0.00 -0.71 0.00 0.00 52.86 49.76 1pkt s ASN 60 Cb -0.18 -2.58 0.76 0.00 0.41 0.00 0.00 41.25 39.66 1pkt s ASN 60 CO -0.07 -1.22 1.74 -0.08 -1.51 0.00 0.00 177.10 175.96 1pkt h GLU 61 N 7.70 0.60 -0.74 -0.60 4.57 -1.74 0.74 114.58 125.10 1pkt h GLU 61 Ca 0.44 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.63 1pkt h GLU 61 Cb 0.88 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.28 1pkt h GLU 61 CO 1.45 0.40 0.45 1.15 -1.18 0.00 0.00 179.01 181.28 1pkt h THR 62 N 0.62 1.03 -0.07 0.32 2.02 -1.87 -0.82 112.91 114.14 1pkt h THR 62 Ca 0.58 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.48 1pkt h THR 62 Cb 1.01 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1pkt h THR 62 CO -0.44 0.15 0.00 0.35 0.37 0.00 0.00 175.52 175.95 1pkt n THR 63 N -4.70 0.06 -3.83 3.16 -2.24 0.34 -4.94 114.28 102.14 1pkt n THR 63 Ca 0.10 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 1pkt n THR 63 Cb 0.15 0.79 0.03 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.24 -0.41 3.31 3.38 0.00 0.23 -4.96 105.19 107.99 1pkt n GLY 64 Ca 0.17 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 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 -6.36 1.77 -0.08 1.61 2.02 -1.02 -5.00 118.70 111.64 1pkt s GLU 65 Ca 0.38 -1.98 -0.18 0.00 0.02 0.00 0.00 54.97 53.21 1pkt s GLU 65 Cb -0.19 0.34 0.04 0.00 0.10 0.00 0.00 34.13 34.42 1pkt s GLU 65 CO 0.82 -0.67 0.43 -0.98 0.02 0.00 0.00 175.26 174.88 1pkt s ARG 66 N -3.39 0.68 0.00 1.61 1.70 -1.26 -0.54 118.95 117.75 1pkt s ARG 66 Ca 0.39 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.85 1pkt s ARG 66 Cb 0.02 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1pkt s ARG 66 CO 0.27 -0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.73 1pkt n GLY 67 N 1.81 -0.50 3.95 3.88 0.00 -1.01 -4.88 105.19 108.44 1pkt n GLY 67 Ca -0.18 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1pkt n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkt s ASP 68 N -4.00 5.63 -0.10 1.61 -1.08 -0.29 -1.89 116.67 116.55 1pkt s ASP 68 Ca 0.00 0.25 -0.32 0.00 -0.52 0.00 0.00 52.55 51.96 1pkt s ASP 68 Cb 0.00 -1.35 0.12 0.00 -1.46 0.00 0.00 42.92 40.23 1pkt s ASP 68 CO 0.00 -0.88 1.05 0.72 0.52 0.00 0.00 175.17 176.58 1pkt s PHE 69 N -2.67 -0.24 -0.01 -5.34 -0.71 -0.39 -1.44 117.98 107.18 1pkt s PHE 69 Ca 0.52 0.16 -0.32 0.00 -1.04 0.00 0.00 56.93 56.25 1pkt s PHE 69 Cb -0.10 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 42.13 1pkt s PHE 69 CO 0.39 -0.37 1.93 -2.30 -1.34 0.00 0.00 175.22 173.53 1pkt n PRO 70 N -0.13 2.58 0.11 1.99 -0.02 -1.26 -1.98 135.00 136.29 1pkt n PRO 70 Ca -0.04 0.95 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 1pkt n PRO 70 Cb 0.60 -2.85 0.21 0.00 -0.02 0.00 0.00 33.50 31.44 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 9.94 0.21 2.00 -1.23 0.00 -1.66 -2.46 103.07 109.87 1pkt h GLY 71 Ca -0.49 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1pkt h GLY 71 CO 0.94 0.19 0.00 -0.91 0.00 0.00 0.00 176.54 176.76 1pkt h THR 72 N 0.16 0.00 -0.63 4.70 1.35 -1.79 -1.76 112.91 114.93 1pkt h THR 72 Ca 0.01 -0.14 -0.33 0.00 -0.55 0.00 0.00 66.41 65.40 1pkt h THR 72 Cb 0.88 1.06 -0.19 0.00 -1.73 0.00 0.00 68.15 68.16 1pkt h THR 72 CO 0.07 0.00 0.42 -1.22 -0.25 0.00 0.00 175.52 174.54 1pkt n TYR 73 N -2.92 1.94 -4.09 4.73 4.01 -0.92 -4.75 117.16 115.15 1pkt n TYR 73 Ca -0.02 -1.37 -0.10 0.00 -0.16 0.00 0.00 57.90 56.25 1pkt n TYR 73 Cb 0.13 -0.70 -0.08 0.00 -0.31 0.00 0.00 39.34 38.38 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 -2.09 0.05 -0.37 -0.72 -7.23 -0.66 -0.61 120.40 108.77 1pkt s VAL 74 Ca 0.36 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1pkt s VAL 74 Cb 0.30 -2.14 0.15 0.00 0.56 0.00 0.00 36.38 35.25 1pkt s VAL 74 CO 0.07 -0.22 0.25 -1.83 -0.31 0.00 0.00 175.10 173.06 1pkt s GLU 75 N -4.05 0.64 0.23 4.82 -1.05 -0.38 -4.60 118.70 114.30 1pkt s GLU 75 Ca 0.26 -1.49 -0.30 0.00 -0.15 0.00 0.00 54.97 53.29 1pkt s GLU 75 Cb 0.05 -1.29 -0.15 0.00 -0.44 0.00 0.00 34.13 32.30 1pkt s GLU 75 CO 0.05 -1.25 1.01 0.98 0.95 0.00 0.00 175.26 176.99 1pkt n TYR 76 N 3.76 1.04 -1.21 4.83 4.19 -1.26 -2.32 117.16 126.18 1pkt n TYR 76 Ca 0.16 0.74 0.00 0.00 3.31 0.00 0.00 57.90 62.11 1pkt n TYR 76 Cb 0.40 -2.22 0.00 0.00 0.49 0.00 0.00 39.34 38.01 1pkt n TYR 76 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 1pkt n ILE 77 N 0.71 0.00 -2.93 2.97 5.41 -1.05 -4.89 119.36 119.58 1pkt n ILE 77 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 1pkt n ILE 77 Cb 0.28 0.86 0.00 0.00 -0.71 0.00 0.00 39.64 40.07 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 0.00 -1.67 0.05 7.39 0.00 -1.23 -5.06 105.19 104.67 1pkt n GLY 78 Ca 0.00 -1.28 0.16 0.00 0.00 0.00 0.00 46.02 44.90 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86