#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 2.47 3.62 0.62 0.00 -1.24 -4.63 105.19 106.03 1pkt n GLY 5 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.58 2.82 -0.21 1.61 2.02 0.15 -4.49 117.35 115.68 1pkt s TYR 6 Ca 0.00 0.90 -0.05 0.00 -0.37 0.00 0.00 57.07 57.55 1pkt s TYR 6 Cb 0.00 -4.03 -0.02 0.00 -0.40 0.00 0.00 41.96 37.50 1pkt s TYR 6 CO 0.00 -1.34 -0.00 -0.65 -1.57 0.00 0.00 175.55 171.98 1pkt s GLN 7 N 4.18 3.58 0.57 -0.62 -0.21 -1.08 -0.84 119.66 125.24 1pkt s GLN 7 Ca 0.51 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 55.43 1pkt s GLN 7 Cb -0.12 -3.08 0.06 0.00 1.00 0.00 0.00 33.01 30.88 1pkt s GLN 7 CO 0.24 -0.03 0.58 0.71 -2.12 0.00 0.00 175.29 174.67 1pkt s TYR 8 N 1.10 1.44 -0.10 0.91 2.02 -0.74 -0.99 117.35 120.99 1pkt s TYR 8 Ca 0.02 -0.82 0.04 0.00 -0.37 0.00 0.00 57.07 55.95 1pkt s TYR 8 Cb -0.14 -2.03 -0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1pkt s TYR 8 CO 0.01 -0.81 -0.24 1.03 -1.57 0.00 0.00 175.55 173.98 1pkt s ARG 9 N -4.47 3.01 0.05 -0.62 0.52 -0.86 -1.78 118.95 114.81 1pkt s ARG 9 Ca 0.45 -0.87 -0.32 0.00 -0.52 0.00 0.00 55.73 54.47 1pkt s ARG 9 Cb -0.04 -2.30 -0.11 0.00 0.52 0.00 0.00 34.95 33.02 1pkt s ARG 9 CO 0.29 0.21 1.87 0.00 0.02 0.00 0.00 175.30 177.68 1pkt n ALA 10 N 3.45 1.64 -0.11 2.13 0.00 -0.63 -0.90 120.51 126.09 1pkt n ALA 10 Ca -0.19 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1pkt n ALA 10 Cb 0.53 -2.58 -0.14 0.00 0.00 0.00 0.00 19.45 17.26 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 6.25 1.24 0.00 0.00 4.77 -0.46 -1.49 117.00 127.30 1pkt n LEU 11 Ca 0.20 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1pkt n LEU 11 Cb 0.36 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1pkt n LEU 11 CO 0.68 0.67 0.00 -1.22 -1.33 0.00 0.00 177.39 176.19 1pkt n TYR 12 N -2.98 0.00 -3.91 -1.77 4.02 -1.07 -4.51 117.16 106.94 1pkt n TYR 12 Ca -0.37 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.30 1pkt n TYR 12 Cb 1.09 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.36 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 -0.34 5.03 -0.30 7.72 1.47 -1.26 -0.73 116.67 128.26 1pkt s ASP 13 Ca 0.00 -0.62 -0.12 0.00 1.18 0.00 0.00 52.55 52.98 1pkt s ASP 13 Cb 0.00 -0.85 0.18 0.00 -0.34 0.00 0.00 42.92 41.91 1pkt s ASP 13 CO 0.00 -0.35 1.05 -0.47 0.68 0.00 0.00 175.17 176.07 1pkt s TYR 14 N -2.36 -0.52 -1.82 2.11 5.04 -0.08 -4.89 117.35 114.82 1pkt s TYR 14 Ca 0.40 0.47 0.04 0.00 -2.44 0.00 0.00 57.07 55.54 1pkt s TYR 14 Cb -0.04 0.15 0.12 0.00 0.35 0.00 0.00 41.96 42.54 1pkt s TYR 14 CO 0.25 -0.29 1.04 0.36 -1.34 0.00 0.00 175.55 175.57 1pkt n LYS 15 N 5.37 1.37 -1.50 4.97 2.85 -1.26 0.36 118.16 130.33 1pkt n LYS 15 Ca -0.02 -0.49 0.00 0.00 -1.05 0.00 0.00 58.31 56.74 1pkt n LYS 15 Cb 0.55 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.74 1pkt n LYS 15 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1pkt n LYS 16 N -0.07 -2.89 -0.04 -1.58 2.85 -1.15 -4.47 118.16 110.80 1pkt n LYS 16 Ca 0.05 2.30 -0.03 0.00 -1.05 0.00 0.00 58.31 59.58 1pkt n LYS 16 Cb 0.16 -2.47 -0.01 0.00 -0.65 0.00 0.00 35.03 32.06 1pkt n LYS 16 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1pkt n GLU 17 N 1.00 0.27 -2.84 -1.58 -0.58 -1.26 -4.94 120.64 110.71 1pkt n GLU 17 Ca 0.00 0.40 -0.25 0.00 -0.42 0.00 0.00 57.16 56.89 1pkt n GLU 17 Cb 0.00 -1.30 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1pkt s ARG 18 N -1.76 3.29 0.05 3.49 0.52 -1.26 -4.93 118.95 118.35 1pkt s ARG 18 Ca -0.09 -0.13 0.09 0.00 -0.52 0.00 0.00 55.73 55.07 1pkt s ARG 18 Cb 0.01 -2.46 0.39 0.00 0.52 0.00 0.00 34.95 33.41 1pkt s ARG 18 CO 0.14 -0.24 1.27 -0.85 0.02 0.00 0.00 175.30 175.63 1pkt n GLU 19 N -2.17 0.03 0.15 3.54 0.28 -1.26 -1.43 120.64 119.77 1pkt n GLU 19 Ca 0.00 0.43 0.03 0.00 -0.16 0.00 0.00 57.16 57.46 1pkt n GLU 19 Cb 0.56 -1.58 0.10 0.00 1.43 0.00 0.00 31.44 31.95 1pkt n GLU 19 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1pkt h GLU 20 N 0.00 0.00 -6.20 3.44 4.81 -1.97 -3.45 114.58 111.21 1pkt h GLU 20 Ca 0.00 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 1pkt h GLU 20 Cb 0.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1pkt h GLU 20 CO 0.00 0.50 -0.49 0.16 -0.73 0.00 0.00 179.01 178.46 1pkt s ASP 21 N -6.46 5.57 0.34 1.04 1.47 -0.52 -2.07 116.67 116.03 1pkt s ASP 21 Ca 0.03 -0.28 0.00 0.00 1.18 0.00 0.00 52.55 53.48 1pkt s ASP 21 Cb 0.09 -1.33 0.00 0.00 -0.34 0.00 0.00 42.92 41.34 1pkt s ASP 21 CO 0.73 -0.14 0.03 2.30 0.68 0.00 0.00 175.17 178.77 1pkt n ILE 22 N -1.28 0.00 -1.40 2.11 -6.64 -0.96 -4.68 119.36 106.51 1pkt n ILE 22 Ca -0.06 -1.57 -0.30 0.00 -1.77 0.00 0.00 62.75 59.05 1pkt n ILE 22 Cb 0.58 0.26 0.23 0.00 -1.44 0.00 0.00 39.64 39.28 1pkt n ILE 22 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1pkt n ASP 23 N -1.28 -1.21 0.00 7.28 9.92 -1.26 -2.96 116.55 127.04 1pkt n ASP 23 Ca -0.13 -1.30 0.00 0.00 -0.53 0.00 0.00 54.79 52.84 1pkt n ASP 23 Cb 0.42 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 1pkt n ASP 23 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1pkt n LEU 24 N 0.00 0.00 -3.62 0.64 0.00 0.16 -4.83 117.00 109.35 1pkt n LEU 24 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 56.02 1pkt n LEU 24 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.93 1pkt n LEU 24 CO 0.41 0.00 0.33 -1.00 0.00 0.00 0.00 177.39 177.13 1pkt s HIS 25 N -2.00 -0.63 0.52 1.96 3.76 -1.25 -0.90 115.29 116.74 1pkt s HIS 25 Ca 0.00 1.36 -0.20 0.00 -0.15 0.00 0.00 55.06 56.07 1pkt s HIS 25 Cb 0.00 0.28 -0.10 0.00 1.11 0.00 0.00 32.58 33.87 1pkt s HIS 25 CO 0.00 -0.43 0.59 -0.11 -0.85 0.00 0.00 174.74 173.94 1pkt n LEU 26 N 1.98 0.83 0.00 0.89 0.00 0.09 -1.01 117.00 119.78 1pkt n LEU 26 Ca -0.16 0.81 0.00 0.00 0.00 0.00 0.00 56.01 56.66 1pkt n LEU 26 Cb 0.56 -1.18 0.00 0.00 0.00 0.00 0.00 43.42 42.80 1pkt n LEU 26 CO 0.14 -2.82 0.00 0.61 0.00 0.00 0.00 177.39 175.32 1pkt n GLY 27 N 1.71 2.05 2.09 -3.96 0.00 -0.56 -4.93 105.19 101.59 1pkt n GLY 27 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 0.49 -4.00 1.61 9.92 -0.18 -4.85 116.55 119.55 1pkt n ASP 28 Ca 0.00 -1.49 -0.12 0.00 -0.53 0.00 0.00 54.79 52.65 1pkt n ASP 28 Cb 0.00 -0.42 -0.12 0.00 -0.64 0.00 0.00 41.12 39.94 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 -1.91 0.34 -0.16 0.53 1.09 -1.26 -1.61 121.20 118.22 1pkt s ILE 29 Ca 0.37 -0.72 0.01 0.00 -1.10 0.00 0.00 60.65 59.22 1pkt s ILE 29 Cb -0.02 -0.39 0.02 0.00 -1.06 0.00 0.00 42.46 41.01 1pkt s ILE 29 CO 0.25 -0.26 -0.17 -0.76 -0.10 0.00 0.00 174.94 173.90 1pkt s LEU 30 N -1.04 1.90 -0.86 2.97 1.02 -0.73 -3.48 118.68 118.45 1pkt s LEU 30 Ca -0.08 -0.56 -0.18 0.00 0.02 0.00 0.00 54.13 53.34 1pkt s LEU 30 Cb -0.07 -1.31 0.14 0.00 0.02 0.00 0.00 46.19 44.97 1pkt s LEU 30 CO -0.00 -0.02 1.01 -0.89 0.02 0.00 0.00 176.35 176.47 1pkt s THR 31 N 1.31 4.89 -0.40 5.49 2.01 -0.57 -1.79 115.64 126.57 1pkt s THR 31 Ca 0.03 -1.63 -0.15 0.00 0.31 0.00 0.00 61.69 60.25 1pkt s THR 31 Cb -0.13 -4.69 0.02 0.00 0.01 0.00 0.00 72.50 67.70 1pkt s THR 31 CO -0.10 -1.38 0.30 -0.69 -0.69 0.00 0.00 174.62 172.06 1pkt s VAL 32 N 2.27 5.26 0.56 3.82 1.01 -0.02 -1.28 120.40 132.01 1pkt s VAL 32 Ca 0.27 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 1pkt s VAL 32 Cb -0.08 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1pkt s VAL 32 CO -0.07 -0.28 1.28 0.20 0.00 0.00 0.00 175.10 176.23 1pkt s ASN 33 N 1.69 5.32 0.70 3.32 0.01 -1.26 0.29 114.94 125.01 1pkt s ASN 33 Ca 0.05 2.57 -0.11 0.00 -0.71 0.00 0.00 52.86 54.66 1pkt s ASN 33 Cb -0.19 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 38.86 1pkt s ASN 33 CO 0.10 -1.52 1.07 -1.59 -1.51 0.00 0.00 177.10 173.65 1pkt s LYS 34 N -3.04 2.92 0.00 -0.60 -2.85 -1.26 -3.98 119.74 110.93 1pkt s LYS 34 Ca 0.73 0.76 0.00 0.00 -1.00 0.00 0.00 55.97 56.46 1pkt s LYS 34 Cb -0.35 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 1pkt s LYS 34 CO 0.41 -1.06 0.00 0.41 0.10 0.00 0.00 175.35 175.21 1pkt n GLY 35 N -2.37 1.99 0.38 0.59 0.00 -1.26 -4.61 105.19 99.92 1pkt n GLY 35 Ca 0.07 -0.27 0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 0.52 1.61 0.02 -1.98 0.42 113.55 114.14 1pkt h SER 36 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1pkt h SER 36 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1pkt h SER 36 CO 0.00 0.00 -1.67 -0.11 -1.14 0.00 0.00 176.83 173.91 1pkt n LEU 37 N -3.59 0.86 -0.45 5.07 0.00 -1.26 -3.83 117.00 113.80 1pkt n LEU 37 Ca 0.06 0.41 0.14 0.00 0.00 0.00 0.00 56.01 56.62 1pkt n LEU 37 Cb 0.61 0.16 0.54 0.00 0.00 0.00 0.00 43.42 44.72 1pkt n LEU 37 CO 0.25 0.35 0.87 0.52 0.00 0.00 0.00 177.39 179.39 1pkt n VAL 38 N -3.02 0.03 0.37 1.96 0.31 0.11 -3.90 118.33 114.19 1pkt n VAL 38 Ca -0.16 -0.24 0.05 0.00 -0.01 0.00 0.00 64.34 63.97 1pkt n VAL 38 Cb 1.02 0.41 0.21 0.00 -0.91 0.00 0.00 33.84 34.57 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 0.11 1.50 0.35 3.52 0.00 0.81 -1.48 120.51 125.32 1pkt n ALA 39 Ca 0.19 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.71 1pkt n ALA 39 Cb 0.33 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.42 0.66 0.00 0.00 4.77 -1.25 -4.93 117.00 114.84 1pkt n LEU 40 Ca 0.03 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1pkt n LEU 40 Cb 0.10 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1pkt n LEU 40 CO 0.08 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1pkt n GLY 41 N 1.29 1.91 0.53 -0.72 0.00 -0.55 -5.12 105.19 102.52 1pkt n GLY 41 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.22 -2.03 -4.03 1.61 3.01 -1.23 -5.05 117.46 109.52 1pkt n PHE 42 Ca 0.00 -0.11 -0.11 0.00 1.01 0.00 0.00 57.45 58.24 1pkt n PHE 42 Cb 0.00 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.24 1pkt n PHE 42 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pkt n SER 43 N -2.96 2.18 -4.49 4.37 2.88 -1.26 -5.04 113.62 109.30 1pkt n SER 43 Ca 0.02 -1.80 -0.43 0.00 -1.33 0.00 0.00 58.87 55.33 1pkt n SER 43 Cb 0.09 0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.60 1pkt n SER 43 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pkt s ASP 44 N -2.13 6.69 0.00 -3.46 2.15 -1.26 -3.67 116.67 114.99 1pkt s ASP 44 Ca 0.05 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 50.92 1pkt s ASP 44 Cb -0.00 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1pkt s ASP 44 CO 0.03 -1.13 0.00 0.61 -0.17 0.00 0.00 175.17 174.51 1pkt n GLY 45 N 5.58 1.92 0.34 2.66 0.00 -1.26 -4.95 105.19 109.48 1pkt n GLY 45 Ca 0.31 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.34 1pkt n GLY 45 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pkt h GLN 46 N 0.00 0.00 -0.27 1.61 5.75 -1.97 -2.13 115.11 118.10 1pkt h GLN 46 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1pkt h GLN 46 Cb 0.00 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.47 1pkt h GLN 46 CO 0.00 0.00 -0.31 0.93 -2.65 0.00 0.00 178.83 176.80 1pkt h GLU 47 N 0.00 -0.29 -2.75 1.69 3.07 -1.93 -2.11 114.58 112.26 1pkt h GLU 47 Ca 0.01 0.02 -0.68 0.00 -0.50 0.00 0.00 59.36 58.21 1pkt h GLU 47 Cb 0.64 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.56 1pkt h GLU 47 CO -0.00 -0.20 2.90 0.00 -1.40 0.00 0.00 179.01 180.32 1pkt n ALA 48 N -2.91 7.14 -2.84 3.43 0.00 -0.80 -4.33 120.51 120.20 1pkt n ALA 48 Ca -0.01 -3.72 -0.11 0.00 0.00 0.00 0.00 53.44 49.60 1pkt n ALA 48 Cb 0.33 -3.01 0.06 0.00 0.00 0.00 0.00 19.45 16.83 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 2.55 1.05 -0.22 0.00 3.00 -0.80 -4.96 116.66 117.28 1pkt n ARG 49 Ca 0.69 -2.40 0.03 0.00 -0.00 0.00 0.00 57.85 56.16 1pkt n ARG 49 Cb 0.27 -1.06 0.14 0.00 0.00 0.00 0.00 32.46 31.80 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 2.84 0.20 -0.37 -0.14 0.11 -1.81 1.48 132.00 134.32 1pkt h PRO 50 Ca -0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1pkt h PRO 50 Cb 1.11 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1pkt h PRO 50 CO 0.23 0.13 0.23 1.05 -0.21 0.00 0.00 178.00 179.43 1pkt h GLU 51 N 0.21 0.49 -0.16 1.05 4.11 -1.91 -0.91 114.58 117.46 1pkt h GLU 51 Ca 0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.76 1pkt h GLU 51 Cb 0.59 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1pkt h GLU 51 CO -0.49 0.33 0.00 0.39 0.07 0.00 0.00 179.01 179.31 1pkt n GLU 52 N -4.47 2.40 -0.05 1.06 1.02 0.84 -4.24 120.64 117.19 1pkt n GLU 52 Ca 0.02 -2.06 -0.14 0.00 -0.02 0.00 0.00 57.16 54.97 1pkt n GLU 52 Cb 0.07 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pkt n ILE 53 N 1.40 1.58 0.00 -3.67 5.41 0.47 -5.03 119.36 119.52 1pkt n ILE 53 Ca 0.16 -0.74 0.00 0.00 1.00 0.00 0.00 62.75 63.17 1pkt n ILE 53 Cb 0.60 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1pkt n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pkt n GLY 54 N 1.84 2.03 2.94 7.39 0.00 -0.76 -4.93 105.19 113.70 1pkt n GLY 54 Ca -0.30 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 0.10 0.18 1.61 0.52 -1.26 -2.00 118.94 118.09 1pkt s TRP 55 Ca 0.00 -0.20 0.06 0.00 0.02 0.00 0.00 56.10 55.98 1pkt s TRP 55 Cb 0.00 -0.08 -0.05 0.00 -1.15 0.00 0.00 33.47 32.20 1pkt s TRP 55 CO 0.00 -0.10 -0.13 -0.51 0.02 0.00 0.00 176.95 176.23 1pkt s LEU 56 N -0.69 2.54 -0.23 2.99 1.02 -0.69 -4.87 118.68 118.75 1pkt s LEU 56 Ca -0.08 -1.01 0.01 0.00 0.02 0.00 0.00 54.13 53.07 1pkt s LEU 56 Cb -0.05 -0.53 0.04 0.00 0.02 0.00 0.00 46.19 45.67 1pkt s LEU 56 CO -0.00 -0.24 -0.12 0.21 0.02 0.00 0.00 176.35 176.22 1pkt s ASN 57 N -3.23 4.04 0.00 2.29 3.84 -1.26 -0.51 114.94 120.11 1pkt s ASN 57 Ca 0.20 -1.02 0.00 0.00 0.21 0.00 0.00 52.86 52.25 1pkt s ASN 57 Cb 0.01 -1.57 0.00 0.00 -0.55 0.00 0.00 41.25 39.14 1pkt s ASN 57 CO 0.04 -0.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.84 1pkt n GLY 58 N 4.56 5.73 2.93 1.21 0.00 -0.66 -4.45 105.19 114.51 1pkt n GLY 58 Ca -0.17 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.59 2.32 -1.14 1.61 5.04 -0.41 -2.51 117.35 121.67 1pkt s TYR 59 Ca 0.00 -1.71 -0.21 0.00 -2.44 0.00 0.00 57.07 52.72 1pkt s TYR 59 Cb 0.00 -1.55 0.05 0.00 0.35 0.00 0.00 41.96 40.81 1pkt s TYR 59 CO 0.00 -0.77 1.61 -0.80 -1.34 0.00 0.00 175.55 174.25 1pkt s ASN 60 N 1.42 6.55 0.40 4.32 -0.87 0.36 -1.51 114.94 125.60 1pkt s ASN 60 Ca -0.06 -1.85 0.09 0.00 -1.57 0.00 0.00 52.86 49.48 1pkt s ASN 60 Cb -0.19 -2.57 0.87 0.00 -0.02 0.00 0.00 41.25 39.34 1pkt s ASN 60 CO -0.06 -1.46 1.98 -0.33 -2.57 0.00 0.00 177.10 174.66 1pkt h GLU 61 N 8.92 0.57 -0.93 -0.60 5.08 -1.80 0.83 114.58 126.65 1pkt h GLU 61 Ca 0.30 -0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.86 1pkt h GLU 61 Cb 0.95 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 1pkt h GLU 61 CO 1.43 0.38 0.63 1.15 -1.00 0.00 0.00 179.01 181.60 1pkt h THR 62 N 0.59 0.61 0.00 1.13 2.02 -1.87 -1.35 112.91 114.05 1pkt h THR 62 Ca 0.27 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1pkt h THR 62 Cb 0.31 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1pkt h THR 62 CO -0.08 0.05 0.00 1.07 0.37 0.00 0.00 175.52 176.93 1pkt n THR 63 N -4.46 0.65 -3.63 3.16 5.66 -0.29 -5.00 114.28 110.36 1pkt n THR 63 Ca 0.20 -0.78 -0.22 0.00 -3.05 0.00 0.00 64.05 60.21 1pkt n THR 63 Cb 0.81 0.70 0.06 0.00 -1.55 0.00 0.00 70.33 70.35 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 -0.32 -0.38 3.56 1.09 0.00 0.27 -4.99 105.19 104.42 1pkt n GLY 64 Ca 0.00 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.93 1.90 -0.13 1.61 0.41 -0.63 -4.95 118.70 110.96 1pkt s GLU 65 Ca 0.19 -1.80 -0.06 0.00 -0.41 0.00 0.00 54.97 52.89 1pkt s GLU 65 Cb -0.09 -1.83 0.06 0.00 -1.78 0.00 0.00 34.13 30.49 1pkt s GLU 65 CO 0.78 0.21 0.31 0.50 -0.49 0.00 0.00 175.26 176.56 1pkt s ARG 66 N -3.62 0.26 0.00 1.61 3.52 -1.26 -0.49 118.95 118.97 1pkt s ARG 66 Ca 0.32 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 56.60 1pkt s ARG 66 Cb -0.01 -0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 1pkt s ARG 66 CO 0.17 -0.19 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1pkt n GLY 67 N 4.50 -0.52 3.98 8.12 0.00 -1.04 -4.74 105.19 115.48 1pkt n GLY 67 Ca -0.21 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 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 5.66 0.03 1.61 1.11 -0.88 -1.65 116.67 118.54 1pkt s ASP 68 Ca 0.00 -0.05 -0.28 0.00 0.18 0.00 0.00 52.55 52.41 1pkt s ASP 68 Cb 0.00 -1.09 0.10 0.00 1.07 0.00 0.00 42.92 42.99 1pkt s ASP 68 CO 0.00 -0.79 0.82 0.72 1.18 0.00 0.00 175.17 177.11 1pkt s PHE 69 N -2.49 -0.39 0.06 4.23 -0.71 0.33 -2.26 117.98 116.75 1pkt s PHE 69 Ca 0.52 0.25 -0.30 0.00 -1.04 0.00 0.00 56.93 56.36 1pkt s PHE 69 Cb -0.10 0.54 -0.09 0.00 -1.21 0.00 0.00 43.02 42.16 1pkt s PHE 69 CO 0.36 -0.61 1.84 -2.14 -1.34 0.00 0.00 175.22 173.33 1pkt s PRO 70 N -3.20 4.15 0.11 1.99 0.02 -1.26 -1.70 135.00 135.11 1pkt s PRO 70 Ca 0.04 2.53 -0.14 0.00 0.02 0.00 0.00 61.00 63.45 1pkt s PRO 70 Cb -0.01 -3.87 -0.07 0.00 0.02 0.00 0.00 34.50 30.57 1pkt s PRO 70 CO -0.10 -0.87 1.44 0.78 -0.33 0.00 0.00 177.00 177.92 1pkt h GLY 71 N 9.59 0.85 2.00 0.52 0.00 -1.59 -2.39 103.07 112.04 1pkt h GLY 71 Ca -0.46 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.01 1pkt h GLY 71 CO 0.94 0.78 0.00 -1.30 0.00 0.00 0.00 176.54 176.96 1pkt n THR 72 N -4.21 1.53 -0.83 4.70 -2.24 -1.23 -0.97 114.28 111.03 1pkt n THR 72 Ca -0.03 0.59 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1pkt n THR 72 Cb 0.49 -1.58 0.34 0.00 -2.10 0.00 0.00 70.33 67.47 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 -1.85 2.15 -4.08 4.78 4.02 -0.90 -4.90 117.16 116.38 1pkt n TYR 73 Ca -0.00 -0.90 -0.05 0.00 -0.01 0.00 0.00 57.90 56.93 1pkt n TYR 73 Cb 0.02 -0.58 -0.02 0.00 -0.02 0.00 0.00 39.34 38.75 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 0.24 0.00 -3.22 -0.72 0.24 -0.14 -1.36 118.33 113.38 1pkt n VAL 74 Ca 0.32 -0.64 -0.17 0.00 -2.04 0.00 0.00 64.34 61.82 1pkt n VAL 74 Cb 1.24 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.85 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 -2.36 0.85 0.34 7.34 -1.05 -0.07 -4.65 118.70 119.09 1pkt s GLU 75 Ca 0.10 -1.34 -0.11 0.00 -0.15 0.00 0.00 54.97 53.46 1pkt s GLU 75 Cb 0.00 -0.77 -0.09 0.00 -0.44 0.00 0.00 34.13 32.83 1pkt s GLU 75 CO 0.07 -1.30 -0.12 0.98 0.95 0.00 0.00 175.26 175.84 1pkt n TYR 76 N 3.42 -1.95 -0.01 4.83 9.36 -1.26 -2.02 117.16 129.53 1pkt n TYR 76 Ca 0.19 0.26 0.00 0.00 3.32 0.00 0.00 57.90 61.67 1pkt n TYR 76 Cb 0.49 -1.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.16 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 -1.00 0.00 -3.61 2.97 2.08 -0.16 -4.70 119.36 114.93 1pkt n ILE 77 Ca 0.04 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1pkt n ILE 77 Cb 0.30 1.01 0.00 0.00 -0.75 0.00 0.00 39.64 40.21 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 0.50 -0.59 1.20 7.39 0.00 -1.24 -4.90 105.19 107.55 1pkt n GLY 78 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36