#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 2.95 -0.19 8.31 0.00 -1.26 -4.61 107.32 112.53 1pkt s GLY 5 Ca 0.00 1.29 -0.23 0.00 0.00 0.00 0.00 44.72 45.78 1pkt s GLY 5 CO 0.00 1.91 0.75 -0.19 0.00 0.00 0.00 173.10 175.57 1pkt s TYR 6 N -1.20 3.39 -0.02 1.90 1.51 0.15 -4.73 117.35 118.36 1pkt s TYR 6 Ca 0.54 1.11 0.05 0.00 -1.01 0.00 0.00 57.07 57.75 1pkt s TYR 6 Cb -0.40 -2.93 -0.01 0.00 -0.11 0.00 0.00 41.96 38.52 1pkt s TYR 6 CO 0.52 -0.22 -0.16 -0.65 -1.11 0.00 0.00 175.55 173.93 1pkt s GLN 7 N 2.10 1.36 0.36 -0.62 1.11 -0.95 0.42 119.66 123.44 1pkt s GLN 7 Ca 0.34 -0.56 0.07 0.00 0.01 0.00 0.00 55.36 55.22 1pkt s GLN 7 Cb -0.16 -1.28 -0.03 0.00 -1.01 0.00 0.00 33.01 30.53 1pkt s GLN 7 CO 0.11 0.31 0.25 0.71 0.01 0.00 0.00 175.29 176.68 1pkt s TYR 8 N -0.26 1.78 0.29 0.91 2.02 -0.80 -0.98 117.35 120.32 1pkt s TYR 8 Ca 0.04 -1.59 0.09 0.00 -0.37 0.00 0.00 57.07 55.24 1pkt s TYR 8 Cb -0.07 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 1pkt s TYR 8 CO -0.00 -0.73 0.08 1.03 -1.57 0.00 0.00 175.55 174.35 1pkt s ARG 9 N -3.48 2.42 -0.59 -0.62 0.52 -1.02 -1.48 118.95 114.69 1pkt s ARG 9 Ca 0.36 -1.41 -0.21 0.00 -0.52 0.00 0.00 55.73 53.94 1pkt s ARG 9 Cb 0.02 -2.23 0.07 0.00 0.52 0.00 0.00 34.95 33.33 1pkt s ARG 9 CO 0.25 0.28 0.83 0.00 0.02 0.00 0.00 175.30 176.67 1pkt s ALA 10 N -2.33 3.25 0.09 2.13 0.00 0.13 -1.65 121.76 123.38 1pkt s ALA 10 Ca 0.34 -1.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.37 1pkt s ALA 10 Cb -0.05 -3.65 -0.19 0.00 0.00 0.00 0.00 23.12 19.23 1pkt s ALA 10 CO 0.22 -2.44 1.24 -0.07 0.00 0.00 0.00 175.76 174.70 1pkt h LEU 11 N 10.61 0.89 -9.33 0.00 3.38 -1.15 -1.47 115.31 118.24 1pkt h LEU 11 Ca -0.28 -0.67 -0.51 0.00 0.09 0.00 0.00 57.88 56.51 1pkt h LEU 11 Cb 1.08 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.43 1pkt h LEU 11 CO 1.10 1.47 -0.58 -0.31 0.09 0.00 0.00 178.44 180.21 1pkt s TYR 12 N -3.45 1.92 0.01 1.13 1.51 -1.08 -4.64 117.35 112.75 1pkt s TYR 12 Ca -0.09 -1.04 -0.03 0.00 -1.01 0.00 0.00 57.07 54.90 1pkt s TYR 12 Cb 0.08 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1pkt s TYR 12 CO 0.91 -0.05 0.20 0.16 -1.11 0.00 0.00 175.55 175.66 1pkt s ASP 13 N -3.54 6.39 0.30 2.29 -4.77 -1.26 -3.81 116.67 112.27 1pkt s ASP 13 Ca 0.32 0.37 0.06 0.00 -3.30 0.00 0.00 52.55 50.00 1pkt s ASP 13 Cb 0.07 -2.01 -0.06 0.00 -1.09 0.00 0.00 42.92 39.83 1pkt s ASP 13 CO 0.15 0.24 -0.03 -0.47 0.70 0.00 0.00 175.17 175.76 1pkt s TYR 14 N -1.36 2.04 -0.08 2.11 5.04 -0.42 -4.85 117.35 119.82 1pkt s TYR 14 Ca 0.29 -0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 54.18 1pkt s TYR 14 Cb -0.13 -1.22 -0.03 0.00 0.35 0.00 0.00 41.96 40.93 1pkt s TYR 14 CO 0.20 0.27 -0.02 0.15 -1.34 0.00 0.00 175.55 174.80 1pkt s LYS 15 N -3.75 2.95 -1.36 4.97 -0.14 -1.26 -2.06 119.74 119.09 1pkt s LYS 15 Ca 0.31 -0.46 -0.14 0.00 -1.36 0.00 0.00 55.97 54.33 1pkt s LYS 15 Cb 0.05 -2.73 0.09 0.00 -1.68 0.00 0.00 37.83 33.56 1pkt s LYS 15 CO 0.13 0.66 1.97 1.17 -0.76 0.00 0.00 175.35 178.53 1pkt n LYS 16 N 2.26 3.16 0.00 1.68 4.81 -1.26 -4.67 118.16 124.15 1pkt n LYS 16 Ca -0.18 -3.08 0.00 0.00 -0.87 0.00 0.00 58.31 54.18 1pkt n LYS 16 Cb 0.53 -3.21 0.00 0.00 0.02 0.00 0.00 35.03 32.37 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 5.92 0.00 -3.22 1.64 1.02 -1.26 -4.69 120.64 120.05 1pkt n GLU 17 Ca 0.47 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.31 1pkt n GLU 17 Cb 0.40 -0.50 -0.04 0.00 -0.02 0.00 0.00 31.44 31.28 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pkt s ARG 18 N -0.01 3.71 0.59 3.49 1.81 -1.26 -4.91 118.95 122.38 1pkt s ARG 18 Ca 0.00 0.19 0.31 0.00 -1.72 0.00 0.00 55.73 54.51 1pkt s ARG 18 Cb 0.00 -2.57 1.20 0.00 -0.45 0.00 0.00 34.95 33.13 1pkt s ARG 18 CO 0.00 0.17 1.51 1.49 -0.68 0.00 0.00 175.30 177.78 1pkt h GLU 19 N 1.74 0.00 0.38 3.54 4.81 -2.02 0.06 114.58 123.10 1pkt h GLU 19 Ca -0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1pkt h GLU 19 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1pkt h GLU 19 CO 0.66 0.00 -0.51 0.93 -0.73 0.00 0.00 179.01 179.36 1pkt h GLU 20 N 0.00 -0.89 -7.53 1.92 5.08 -1.95 -3.42 114.58 107.78 1pkt h GLU 20 Ca 0.49 0.06 -0.47 0.00 -1.00 0.00 0.00 59.36 58.45 1pkt h GLU 20 Cb 2.60 0.20 0.12 0.00 0.50 0.00 0.00 28.75 32.17 1pkt h GLU 20 CO -0.01 -0.59 0.35 0.16 -1.00 0.00 0.00 179.01 177.92 1pkt s ASP 21 N -4.47 4.02 0.22 1.42 1.47 0.01 -1.76 116.67 117.57 1pkt s ASP 21 Ca -0.17 0.92 0.06 0.00 1.18 0.00 0.00 52.55 54.54 1pkt s ASP 21 Cb 0.05 -1.48 -0.05 0.00 -0.34 0.00 0.00 42.92 41.10 1pkt s ASP 21 CO 0.61 -2.23 -0.10 0.27 0.68 0.00 0.00 175.17 174.40 1pkt s ILE 22 N -3.39 1.53 -0.01 2.11 -5.25 -0.75 -4.70 121.20 110.74 1pkt s ILE 22 Ca 0.63 -2.15 -0.30 0.00 -0.99 0.00 0.00 60.65 57.84 1pkt s ILE 22 Cb -0.13 -2.14 -0.04 0.00 2.95 0.00 0.00 42.46 43.09 1pkt s ILE 22 CO 0.52 -0.52 1.24 -1.81 -1.79 0.00 0.00 174.94 172.58 1pkt s ASP 23 N -3.32 7.02 0.28 4.36 1.11 -1.26 -4.01 116.67 120.85 1pkt s ASP 23 Ca 0.24 1.92 0.10 0.00 0.18 0.00 0.00 52.55 55.00 1pkt s ASP 23 Cb 0.02 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 1pkt s ASP 23 CO 0.07 -0.58 -0.06 -0.76 1.18 0.00 0.00 175.17 175.02 1pkt s LEU 24 N 1.95 2.99 -0.04 1.23 1.43 -0.87 -4.88 118.68 120.49 1pkt s LEU 24 Ca 0.58 -0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 1pkt s LEU 24 Cb -0.27 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.51 1pkt s LEU 24 CO 0.25 -0.01 0.56 -1.00 0.23 0.00 0.00 176.35 176.37 1pkt s HIS 25 N -2.40 -0.50 0.31 0.29 3.76 -1.25 -1.31 115.29 114.19 1pkt s HIS 25 Ca 0.31 0.85 -0.29 0.00 -0.15 0.00 0.00 55.06 55.78 1pkt s HIS 25 Cb -0.05 0.31 -0.12 0.00 1.11 0.00 0.00 32.58 33.82 1pkt s HIS 25 CO 0.18 -0.54 1.45 -0.11 -0.85 0.00 0.00 174.74 174.87 1pkt n LEU 26 N 1.04 3.96 0.00 0.89 7.94 -1.25 -1.12 117.00 128.45 1pkt n LEU 26 Ca -0.20 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 1pkt n LEU 26 Cb 0.57 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.98 1pkt n LEU 26 CO 0.23 -0.16 0.00 0.61 -1.11 0.00 0.00 177.39 176.96 1pkt n GLY 27 N 1.38 2.67 3.72 -3.96 0.00 -0.55 -4.99 105.19 103.47 1pkt n GLY 27 Ca 0.06 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.61 3.90 -4.84 1.61 2.03 -0.28 -4.59 116.55 114.99 1pkt n ASP 28 Ca 0.00 1.09 -0.38 0.00 0.52 0.00 0.00 54.79 56.02 1pkt n ASP 28 Cb 0.00 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 38.77 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 0.80 5.03 -0.11 5.18 -1.09 -1.26 0.20 121.20 129.95 1pkt s ILE 29 Ca 0.72 0.82 -0.01 0.00 -2.23 0.00 0.00 60.65 59.94 1pkt s ILE 29 Cb -0.51 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1pkt s ILE 29 CO 0.37 0.55 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.82 1pkt s LEU 30 N -1.16 3.16 -0.72 2.97 1.02 -0.55 -3.19 118.68 120.21 1pkt s LEU 30 Ca 0.25 -0.09 -0.03 0.00 0.02 0.00 0.00 54.13 54.27 1pkt s LEU 30 Cb -0.16 -1.72 0.18 0.00 0.02 0.00 0.00 46.19 44.51 1pkt s LEU 30 CO 0.14 0.27 0.56 -0.89 0.02 0.00 0.00 176.35 176.44 1pkt s THR 31 N -0.22 3.98 -0.82 5.49 2.01 -0.36 -1.90 115.64 123.82 1pkt s THR 31 Ca 0.03 -3.25 -0.24 0.00 0.31 0.00 0.00 61.69 58.54 1pkt s THR 31 Cb -0.13 -3.55 0.06 0.00 0.01 0.00 0.00 72.50 68.89 1pkt s THR 31 CO 0.03 -0.95 1.24 -0.69 -0.69 0.00 0.00 174.62 173.56 1pkt s VAL 32 N -0.49 4.02 1.05 3.82 1.01 0.17 -1.24 120.40 128.74 1pkt s VAL 32 Ca 0.20 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1pkt s VAL 32 Cb -0.16 -4.89 0.16 0.00 0.00 0.00 0.00 36.38 31.49 1pkt s VAL 32 CO -0.07 -1.76 0.23 0.59 0.00 0.00 0.00 175.10 174.10 1pkt n ASN 33 N 8.55 -2.94 -4.88 3.32 3.02 -1.26 0.35 115.26 121.43 1pkt n ASN 33 Ca 0.12 -0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 54.02 1pkt n ASN 33 Cb 0.49 -0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 1pkt n ASN 33 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1pkt s LYS 34 N -3.50 3.79 0.00 3.52 2.36 -1.26 -3.84 119.74 120.81 1pkt s LYS 34 Ca 0.41 0.44 0.00 0.00 -2.55 0.00 0.00 55.97 54.27 1pkt s LYS 34 Cb -0.07 -2.43 0.00 0.00 -1.05 0.00 0.00 37.83 34.28 1pkt s LYS 34 CO 0.42 0.02 0.00 0.41 1.55 0.00 0.00 175.35 177.75 1pkt n GLY 35 N -1.12 2.08 0.31 5.54 0.00 -1.26 -4.67 105.19 106.07 1pkt n GLY 35 Ca 0.02 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.88 1pkt n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pkt h SER 36 N 0.00 0.00 0.28 1.61 0.02 -1.92 0.63 113.55 114.17 1pkt h SER 36 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1pkt h SER 36 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1pkt h SER 36 CO 0.00 0.00 -1.88 -0.11 -1.14 0.00 0.00 176.83 173.70 1pkt n LEU 37 N -3.94 1.93 -0.36 5.07 0.00 -1.26 -3.90 117.00 114.54 1pkt n LEU 37 Ca -0.01 0.30 0.14 0.00 0.00 0.00 0.00 56.01 56.44 1pkt n LEU 37 Cb 0.19 -0.60 0.62 0.00 0.00 0.00 0.00 43.42 43.63 1pkt n LEU 37 CO 0.29 0.67 0.92 0.52 0.00 0.00 0.00 177.39 179.79 1pkt n VAL 38 N -3.31 0.01 0.14 1.96 0.31 -0.74 -3.86 118.33 112.84 1pkt n VAL 38 Ca -0.26 -0.19 0.09 0.00 -0.01 0.00 0.00 64.34 63.98 1pkt n VAL 38 Cb 1.05 0.23 0.49 0.00 -0.91 0.00 0.00 33.84 34.70 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 -0.13 1.05 -1.34 3.52 0.00 0.21 -1.06 120.51 122.77 1pkt n ALA 39 Ca 0.20 0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 1pkt n ALA 39 Cb 0.29 -1.27 0.16 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 -2.13 6.20 -3.62 0.00 4.77 -1.25 -4.91 117.00 116.06 1pkt n LEU 40 Ca -0.01 -3.83 -0.21 0.00 -0.03 0.00 0.00 56.01 51.93 1pkt n LEU 40 Cb 0.03 -0.79 0.05 0.00 -2.33 0.00 0.00 43.42 40.38 1pkt n LEU 40 CO 0.08 1.23 -0.03 0.61 -1.33 0.00 0.00 177.39 177.95 1pkt n GLY 41 N -1.09 -0.40 2.41 -0.72 0.00 -0.22 -4.97 105.19 100.20 1pkt n GLY 41 Ca 0.53 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.17 -3.65 -4.37 1.61 3.01 -1.23 -5.06 117.46 103.60 1pkt n PHE 42 Ca -0.27 -0.69 -0.24 0.00 1.01 0.00 0.00 57.45 57.26 1pkt n PHE 42 Cb 0.67 -0.77 -0.09 0.00 -0.01 0.00 0.00 39.48 39.28 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 -3.59 4.02 -1.15 4.37 0.01 -1.26 -5.03 113.70 111.07 1pkt s SER 43 Ca 0.49 -0.80 -0.22 0.00 1.31 0.00 0.00 55.95 56.73 1pkt s SER 43 Cb -0.04 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 1pkt s SER 43 CO 0.37 0.05 1.83 -0.62 0.41 0.00 0.00 173.24 175.28 1pkt s ASP 44 N -3.36 5.67 0.00 2.44 2.15 -1.26 -2.85 116.67 119.46 1pkt s ASP 44 Ca 0.29 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.59 1pkt s ASP 44 Cb -0.06 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1pkt s ASP 44 CO 0.16 -2.36 0.00 0.61 -0.17 0.00 0.00 175.17 173.41 1pkt n GLY 45 N 6.00 2.01 1.59 2.66 0.00 -1.26 -4.96 105.19 111.24 1pkt n GLY 45 Ca 0.44 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 1.73 -0.02 1.61 3.00 -1.13 -4.05 117.38 118.51 1pkt n GLN 46 Ca 0.00 -1.53 -0.10 0.00 -0.01 0.00 0.00 57.00 55.36 1pkt n GLN 46 Cb 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 30.24 28.48 1pkt n GLN 46 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1pkt n GLU 47 N -0.29 0.65 -1.69 -1.09 0.00 -1.26 -4.15 120.64 112.81 1pkt n GLU 47 Ca 0.29 0.30 -0.32 0.00 0.00 0.00 0.00 57.16 57.43 1pkt n GLU 47 Cb 1.07 -1.79 0.05 0.00 0.00 0.00 0.00 31.44 30.78 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 -2.61 5.89 -3.28 -1.84 0.00 -1.26 -4.72 120.51 112.69 1pkt n ALA 48 Ca -0.19 -3.72 -0.25 0.00 0.00 0.00 0.00 53.44 49.28 1pkt n ALA 48 Cb 1.05 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 1pkt n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1pkt n ARG 49 N -0.78 0.67 -0.08 0.00 3.00 -1.26 -4.64 116.66 113.57 1pkt n ARG 49 Ca 0.55 -3.32 -0.07 0.00 -0.00 0.00 0.00 57.85 55.01 1pkt n ARG 49 Cb 0.69 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.72 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1pkt h PRO 50 N 4.56 0.18 0.00 -0.14 0.11 -1.84 0.91 132.00 135.78 1pkt h PRO 50 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1pkt h PRO 50 Cb 0.87 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1pkt h PRO 50 CO 0.46 0.12 0.14 1.05 -0.21 0.00 0.00 178.00 179.56 1pkt h GLU 51 N 0.19 0.00 0.00 1.05 -0.00 -1.84 -0.46 114.58 113.52 1pkt h GLU 51 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 1pkt h GLU 51 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.89 1pkt h GLU 51 CO -0.17 0.00 0.00 -1.91 -0.00 0.00 0.00 179.01 176.93 1pkt n GLU 52 N -2.40 3.30 0.07 1.06 2.13 -0.22 -4.67 120.64 119.91 1pkt n GLU 52 Ca -0.02 -0.23 -0.21 0.00 0.66 0.00 0.00 57.16 57.37 1pkt n GLU 52 Cb 0.17 -0.73 -0.15 0.00 0.27 0.00 0.00 31.44 31.01 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 0.00 1.46 0.00 6.31 2.04 0.25 -3.49 117.51 124.08 1pkt h ILE 53 Ca 0.00 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.30 1pkt h ILE 53 Cb 0.00 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1pkt h ILE 53 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.50 1pkt n GLY 54 N 1.66 2.31 2.95 5.37 0.00 -1.10 -4.98 105.19 111.42 1pkt n GLY 54 Ca -0.14 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 0.26 1.61 0.52 -1.26 -2.45 118.94 117.45 1pkt s TRP 55 Ca 0.00 0.47 0.12 0.00 0.02 0.00 0.00 56.10 56.70 1pkt s TRP 55 Cb 0.00 -0.04 -0.05 0.00 -1.15 0.00 0.00 33.47 32.23 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 0.88 2.56 -0.25 2.99 1.02 -0.61 -4.87 118.68 120.40 1pkt s LEU 56 Ca -0.07 -0.98 0.02 0.00 0.02 0.00 0.00 54.13 53.12 1pkt s LEU 56 Cb -0.09 -1.13 0.05 0.00 0.02 0.00 0.00 46.19 45.05 1pkt s LEU 56 CO -0.04 0.06 -0.11 0.21 0.02 0.00 0.00 176.35 176.49 1pkt s ASN 57 N -3.31 4.33 0.00 2.29 3.84 -1.26 -1.03 114.94 119.80 1pkt s ASN 57 Ca 0.28 -1.28 0.00 0.00 0.21 0.00 0.00 52.86 52.07 1pkt s ASN 57 Cb -0.06 -1.56 0.00 0.00 -0.55 0.00 0.00 41.25 39.08 1pkt s ASN 57 CO 0.14 -0.17 0.00 0.61 -2.79 0.00 0.00 177.10 174.89 1pkt n GLY 58 N 4.48 5.43 2.84 1.21 0.00 -0.70 -4.36 105.19 114.09 1pkt n GLY 58 Ca -0.15 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 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 0.94 1.52 -1.24 1.61 5.04 -0.37 -2.56 117.35 122.29 1pkt s TYR 59 Ca 0.00 -1.04 -0.19 0.00 -2.44 0.00 0.00 57.07 53.41 1pkt s TYR 59 Cb 0.00 -1.23 0.07 0.00 0.35 0.00 0.00 41.96 41.16 1pkt s TYR 59 CO 0.00 -0.61 1.66 -0.80 -1.34 0.00 0.00 175.55 174.45 1pkt s ASN 60 N 1.69 6.79 0.38 4.32 0.01 -0.47 -1.23 114.94 126.43 1pkt s ASN 60 Ca -0.00 -2.29 0.16 0.00 -0.71 0.00 0.00 52.86 50.02 1pkt s ASN 60 Cb -0.16 -2.56 1.03 0.00 0.41 0.00 0.00 41.25 39.97 1pkt s ASN 60 CO -0.07 -1.21 1.77 -0.33 -1.51 0.00 0.00 177.10 175.75 1pkt h GLU 61 N 7.99 0.45 -0.72 -0.60 5.08 -1.80 0.97 114.58 125.95 1pkt h GLU 61 Ca 0.39 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.84 1pkt h GLU 61 Cb 0.90 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.96 1pkt h GLU 61 CO 1.44 0.30 0.31 1.15 -1.00 0.00 0.00 179.01 181.21 1pkt h THR 62 N 0.46 0.74 -0.31 1.13 2.02 -1.87 -1.55 112.91 113.53 1pkt h THR 62 Ca 0.59 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.59 1pkt h THR 62 Cb 1.36 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1pkt h THR 62 CO -0.32 0.09 0.00 0.35 0.37 0.00 0.00 175.52 176.01 1pkt n THR 63 N -4.95 1.77 -4.29 3.16 -2.24 0.50 -4.95 114.28 103.29 1pkt n THR 63 Ca 0.12 -1.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.03 1pkt n THR 63 Cb 0.34 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.04 -0.40 3.89 3.38 0.00 0.31 -4.92 105.19 107.42 1pkt n GLY 64 Ca 0.18 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 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 -7.01 2.46 -0.24 1.61 2.56 -0.87 -4.93 118.70 112.28 1pkt s GLU 65 Ca 0.66 -1.64 -0.14 0.00 0.00 0.00 0.00 54.97 53.86 1pkt s GLU 65 Cb -0.37 -2.34 0.07 0.00 2.00 0.00 0.00 34.13 33.49 1pkt s GLU 65 CO 0.96 -0.33 0.59 0.50 -0.56 0.00 0.00 175.26 176.42 1pkt s ARG 66 N -4.20 0.60 0.00 4.30 3.52 -1.26 -1.37 118.95 120.54 1pkt s ARG 66 Ca 0.46 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.12 1pkt s ARG 66 Cb -0.03 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1pkt s ARG 66 CO 0.27 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.02 1pkt n GLY 67 N 4.25 -0.75 3.99 8.12 0.00 -1.06 -4.81 105.19 114.93 1pkt n GLY 67 Ca -0.21 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 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 4.76 0.00 1.61 -1.08 -0.72 -1.72 116.67 115.52 1pkt s ASP 68 Ca 0.00 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 1pkt s ASP 68 Cb 0.00 -0.33 0.00 0.00 -1.46 0.00 0.00 42.92 41.13 1pkt s ASP 68 CO 0.00 -1.55 0.00 2.22 0.52 0.00 0.00 175.17 176.36 1pkt n PHE 69 N -2.61 0.00 -1.72 -5.34 -1.74 -0.20 -1.82 117.46 104.04 1pkt n PHE 69 Ca 0.12 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.59 1pkt n PHE 69 Cb 0.60 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.57 1pkt n PHE 69 CO 0.00 0.00 0.00 -2.14 -0.56 0.00 0.00 176.76 174.06 1pkt s PRO 70 N -2.00 3.71 0.36 3.97 0.02 -1.26 -1.57 135.00 138.23 1pkt s PRO 70 Ca 0.00 2.24 0.12 0.00 0.02 0.00 0.00 61.00 63.39 1pkt s PRO 70 Cb 0.00 -4.22 0.69 0.00 0.02 0.00 0.00 34.50 30.99 1pkt s PRO 70 CO 0.00 -1.44 1.81 0.78 -0.33 0.00 0.00 177.00 177.82 1pkt h GLY 71 N 12.46 0.00 0.88 0.52 0.00 -1.70 -2.71 103.07 112.53 1pkt h GLY 71 Ca -0.44 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.91 1pkt h GLY 71 CO 0.96 0.00 0.54 -0.91 0.00 0.00 0.00 176.54 177.13 1pkt h THR 72 N 0.00 0.03 -0.88 4.70 1.35 -1.77 0.23 112.91 116.57 1pkt h THR 72 Ca -0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.35 1pkt h THR 72 Cb 0.69 0.47 -0.27 0.00 -1.73 0.00 0.00 68.15 67.32 1pkt h THR 72 CO 0.05 0.00 0.65 -1.22 -0.25 0.00 0.00 175.52 174.75 1pkt n TYR 73 N -2.87 2.75 -4.13 4.73 4.01 -1.02 -4.75 117.16 115.89 1pkt n TYR 73 Ca 0.00 -2.10 -0.13 0.00 -0.16 0.00 0.00 57.90 55.51 1pkt n TYR 73 Cb 0.60 -1.04 -0.07 0.00 -0.31 0.00 0.00 39.34 38.52 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 -3.40 0.00 -0.35 -0.72 -7.23 0.80 -0.62 120.40 108.89 1pkt s VAL 74 Ca 0.53 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1pkt s VAL 74 Cb 0.43 -2.47 0.15 0.00 0.56 0.00 0.00 36.38 35.05 1pkt s VAL 74 CO 0.06 0.00 0.37 -1.83 -0.31 0.00 0.00 175.10 173.39 1pkt s GLU 75 N -3.67 0.57 -0.43 4.82 -1.05 -0.66 -4.70 118.70 113.57 1pkt s GLU 75 Ca 0.33 -0.62 -0.41 0.00 -0.15 0.00 0.00 54.97 54.12 1pkt s GLU 75 Cb 0.02 -0.65 -0.17 0.00 -0.44 0.00 0.00 34.13 32.89 1pkt s GLU 75 CO 0.16 -1.15 1.41 0.98 0.95 0.00 0.00 175.26 177.61 1pkt n TYR 76 N 4.55 1.50 -1.68 4.83 4.19 -1.26 -2.42 117.16 126.86 1pkt n TYR 76 Ca 0.08 0.98 0.00 0.00 3.31 0.00 0.00 57.90 62.27 1pkt n TYR 76 Cb 0.46 -1.94 0.00 0.00 0.49 0.00 0.00 39.34 38.36 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 3.56 0.00 -3.75 2.97 2.08 -0.91 -4.87 119.36 118.44 1pkt n ILE 77 Ca 0.28 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.29 1pkt n ILE 77 Cb -0.05 0.53 -0.15 0.00 -0.75 0.00 0.00 39.64 39.22 1pkt n ILE 77 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1pkt s GLY 78 N -0.43 1.10 0.00 7.39 0.00 -0.15 -4.94 107.32 110.29 1pkt s GLY 78 Ca 0.00 -1.66 0.30 0.00 0.00 0.00 0.00 44.72 43.35 1pkt s GLY 78 CO 0.00 1.56 2.10 0.54 0.00 0.00 0.00 173.10 177.29