#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 0.61 3.62 -1.84 0.00 -1.26 -4.31 105.19 102.00 1pkt n GLY 5 Ca 0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.36 2.95 -0.27 1.61 2.02 0.44 -4.66 117.35 117.09 1pkt s TYR 6 Ca 0.00 0.91 -0.12 0.00 -0.37 0.00 0.00 57.07 57.49 1pkt s TYR 6 Cb 0.00 -4.13 -0.05 0.00 -0.40 0.00 0.00 41.96 37.38 1pkt s TYR 6 CO 0.00 -1.07 0.23 -0.65 -1.57 0.00 0.00 175.55 172.49 1pkt s GLN 7 N 4.12 4.00 0.51 -0.62 -0.21 -0.59 -1.78 119.66 125.09 1pkt s GLN 7 Ca 0.47 -0.22 0.08 0.00 0.02 0.00 0.00 55.36 55.71 1pkt s GLN 7 Cb -0.09 -3.63 0.04 0.00 1.00 0.00 0.00 33.01 30.33 1pkt s GLN 7 CO 0.25 -0.14 0.58 0.71 -2.12 0.00 0.00 175.29 174.58 1pkt s TYR 8 N 1.64 1.93 -0.02 0.91 2.02 -0.83 0.07 117.35 123.06 1pkt s TYR 8 Ca 0.09 -0.66 0.05 0.00 -0.37 0.00 0.00 57.07 56.18 1pkt s TYR 8 Cb -0.15 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.22 1pkt s TYR 8 CO 0.09 -0.68 -0.16 0.50 -1.57 0.00 0.00 175.55 173.74 1pkt s ARG 9 N -4.42 2.38 -0.37 -0.62 3.52 -0.94 -2.44 118.95 116.06 1pkt s ARG 9 Ca 0.51 -0.78 -0.28 0.00 -0.13 0.00 0.00 55.73 55.05 1pkt s ARG 9 Cb -0.05 -2.32 -0.02 0.00 -1.56 0.00 0.00 34.95 31.00 1pkt s ARG 9 CO 0.32 0.60 1.82 0.00 -0.81 0.00 0.00 175.30 177.22 1pkt s ALA 10 N -0.79 2.76 0.08 6.12 0.00 -0.89 -1.09 121.76 127.95 1pkt s ALA 10 Ca 0.12 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1pkt s ALA 10 Cb -0.11 -4.06 -0.23 0.00 0.00 0.00 0.00 23.12 18.73 1pkt s ALA 10 CO 0.02 -2.82 1.12 -0.07 0.00 0.00 0.00 175.76 174.01 1pkt h LEU 11 N 14.13 0.10 0.00 0.00 3.38 -1.30 -3.05 115.31 128.57 1pkt h LEU 11 Ca -0.32 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1pkt h LEU 11 Cb 1.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1pkt h LEU 11 CO 1.06 1.09 0.00 -1.22 0.09 0.00 0.00 178.44 179.46 1pkt n TYR 12 N -3.34 0.00 -3.74 1.13 4.02 -1.04 -4.80 117.16 109.39 1pkt n TYR 12 Ca -0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.56 1pkt n TYR 12 Cb 0.98 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 40.13 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 0.97 2.94 -0.18 7.72 1.47 -1.26 -0.62 116.67 127.71 1pkt s ASP 13 Ca 0.00 -0.84 -0.07 0.00 1.18 0.00 0.00 52.55 52.82 1pkt s ASP 13 Cb 0.00 -0.61 -0.04 0.00 -0.34 0.00 0.00 42.92 41.94 1pkt s ASP 13 CO 0.00 -0.31 0.04 -0.47 0.68 0.00 0.00 175.17 175.12 1pkt s TYR 14 N 1.85 3.18 0.59 2.11 5.04 -0.35 -4.96 117.35 124.82 1pkt s TYR 14 Ca -0.01 -0.05 -0.13 0.00 -2.44 0.00 0.00 57.07 54.44 1pkt s TYR 14 Cb -0.17 -2.07 -0.05 0.00 0.35 0.00 0.00 41.96 40.02 1pkt s TYR 14 CO -0.08 0.06 1.02 0.21 -1.34 0.00 0.00 175.55 175.42 1pkt s LYS 15 N 0.50 3.69 -1.40 4.97 2.20 -1.26 -1.87 119.74 126.56 1pkt s LYS 15 Ca 0.02 0.81 -0.15 0.00 -0.36 0.00 0.00 55.97 56.29 1pkt s LYS 15 Cb -0.13 -2.09 0.06 0.00 -1.51 0.00 0.00 37.83 34.15 1pkt s LYS 15 CO 0.01 -0.49 2.07 1.17 -0.36 0.00 0.00 175.35 177.75 1pkt n LYS 16 N -2.43 3.00 0.00 4.03 4.81 -1.21 -4.76 118.16 121.60 1pkt n LYS 16 Ca 0.06 -2.85 0.00 0.00 -0.87 0.00 0.00 58.31 54.65 1pkt n LYS 16 Cb 0.54 -3.31 0.00 0.00 0.02 0.00 0.00 35.03 32.28 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 6.50 0.00 -3.01 1.64 1.02 -1.26 -4.78 120.64 120.74 1pkt n GLU 17 Ca 0.50 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.38 1pkt n GLU 17 Cb 0.41 -0.75 -0.01 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.51 3.54 0.55 3.49 1.81 -1.26 -4.95 118.95 121.62 1pkt s ARG 18 Ca 0.00 -0.01 0.25 0.00 -1.72 0.00 0.00 55.73 54.25 1pkt s ARG 18 Cb 0.00 -2.52 1.44 0.00 -0.45 0.00 0.00 34.95 33.43 1pkt s ARG 18 CO 0.00 -0.01 2.02 1.49 -0.68 0.00 0.00 175.30 178.12 1pkt h GLU 19 N 0.65 0.00 -0.97 3.54 4.57 -2.01 -1.11 114.58 119.25 1pkt h GLU 19 Ca -0.48 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.84 1pkt h GLU 19 Cb 1.21 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.70 1pkt h GLU 19 CO 0.62 0.00 0.58 1.05 -1.18 0.00 0.00 179.01 180.08 1pkt h GLU 20 N 0.00 0.83 -6.26 1.92 4.11 -1.96 -3.41 114.58 109.80 1pkt h GLU 20 Ca 0.20 -0.05 -0.45 0.00 0.07 0.00 0.00 59.36 59.13 1pkt h GLU 20 Cb 0.84 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1pkt h GLU 20 CO -0.00 0.55 -0.38 0.16 0.07 0.00 0.00 179.01 179.40 1pkt s ASP 21 N -5.55 6.15 0.00 3.06 1.47 -0.42 -2.19 116.67 119.19 1pkt s ASP 21 Ca -0.12 -0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.56 1pkt s ASP 21 Cb 0.23 -1.56 0.00 0.00 -0.34 0.00 0.00 42.92 41.25 1pkt s ASP 21 CO 0.80 -0.25 0.00 2.30 0.68 0.00 0.00 175.17 178.70 1pkt n ILE 22 N -1.52 0.00 -3.28 2.11 -5.35 -0.96 -4.68 119.36 105.66 1pkt n ILE 22 Ca -0.05 0.00 -0.46 0.00 -0.27 0.00 0.00 62.75 61.97 1pkt n ILE 22 Cb 0.57 -0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 38.17 1pkt n ILE 22 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1pkt s ASP 23 N -0.74 6.23 0.05 7.28 1.11 -1.26 -3.28 116.67 126.06 1pkt s ASP 23 Ca 0.00 -1.80 0.04 0.00 0.18 0.00 0.00 52.55 50.97 1pkt s ASP 23 Cb 0.00 -2.22 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 1pkt s ASP 23 CO 0.00 -0.88 -0.04 -1.48 1.18 0.00 0.00 175.17 173.95 1pkt s LEU 24 N 1.66 3.29 -0.01 1.23 2.34 -0.78 -4.79 118.68 121.61 1pkt s LEU 24 Ca 0.05 -0.18 -0.09 0.00 0.06 0.00 0.00 54.13 53.97 1pkt s LEU 24 Cb -0.28 -1.97 0.01 0.00 -0.56 0.00 0.00 46.19 43.39 1pkt s LEU 24 CO 0.03 0.23 0.19 -1.00 -1.06 0.00 0.00 176.35 174.73 1pkt s HIS 25 N -1.15 -0.05 0.21 3.48 0.09 -1.26 -1.21 115.29 115.40 1pkt s HIS 25 Ca 0.21 0.07 -0.31 0.00 -0.00 0.00 0.00 55.06 55.03 1pkt s HIS 25 Cb -0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 32.58 32.32 1pkt s HIS 25 CO 0.12 -0.28 1.09 -0.11 -0.00 0.00 0.00 174.74 175.56 1pkt n LEU 26 N 1.67 1.48 0.00 0.89 0.00 0.21 -0.86 117.00 120.39 1pkt n LEU 26 Ca -0.21 1.15 0.00 0.00 0.00 0.00 0.00 56.01 56.95 1pkt n LEU 26 Cb 0.56 -1.22 0.00 0.00 0.00 0.00 0.00 43.42 42.76 1pkt n LEU 26 CO 0.21 -1.41 0.00 0.61 0.00 0.00 0.00 177.39 176.80 1pkt n GLY 27 N 1.78 0.82 3.85 -3.96 0.00 -1.15 -4.93 105.19 101.61 1pkt n GLY 27 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1pkt n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkt s ASP 28 N -2.82 6.79 -0.14 1.61 2.15 -0.04 -4.87 116.67 119.34 1pkt s ASP 28 Ca 0.00 1.05 -0.13 0.00 0.43 0.00 0.00 52.55 53.90 1pkt s ASP 28 Cb 0.00 -2.28 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 1pkt s ASP 28 CO 0.00 0.07 0.28 -0.63 -0.17 0.00 0.00 175.17 174.71 1pkt s ILE 29 N -1.53 5.31 -0.28 4.11 -1.09 -1.26 -2.10 121.20 124.35 1pkt s ILE 29 Ca 0.40 0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 59.28 1pkt s ILE 29 Cb -0.14 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1pkt s ILE 29 CO 0.19 0.43 0.04 -0.76 -1.23 0.00 0.00 174.94 173.62 1pkt s LEU 30 N 0.16 3.70 -0.71 2.97 1.02 -1.02 -2.91 118.68 121.89 1pkt s LEU 30 Ca 0.16 -0.79 -0.19 0.00 0.02 0.00 0.00 54.13 53.33 1pkt s LEU 30 Cb -0.13 -1.82 0.11 0.00 0.02 0.00 0.00 46.19 44.37 1pkt s LEU 30 CO 0.04 -0.18 0.88 -0.89 0.02 0.00 0.00 176.35 176.22 1pkt s THR 31 N 1.44 4.73 -0.41 5.49 2.01 -0.84 -1.97 115.64 126.09 1pkt s THR 31 Ca 0.02 -1.08 -0.13 0.00 0.31 0.00 0.00 61.69 60.80 1pkt s THR 31 Cb -0.17 -4.61 0.04 0.00 0.01 0.00 0.00 72.50 67.77 1pkt s THR 31 CO 0.01 -1.30 0.28 -0.69 -0.69 0.00 0.00 174.62 172.23 1pkt s VAL 32 N 2.85 4.85 1.02 3.82 1.01 -0.73 -1.44 120.40 131.79 1pkt s VAL 32 Ca 0.20 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1pkt s VAL 32 Cb -0.17 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1pkt s VAL 32 CO 0.02 -0.38 -0.32 -3.20 0.00 0.00 0.00 175.10 171.22 1pkt n ASN 33 N 5.08 -3.12 0.14 3.32 5.15 -1.26 -0.42 115.26 124.14 1pkt n ASN 33 Ca -0.11 0.09 -0.06 0.00 -0.60 0.00 0.00 54.58 53.90 1pkt n ASN 33 Cb 0.45 -0.91 -0.03 0.00 -0.53 0.00 0.00 39.78 38.76 1pkt n ASN 33 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1pkt h LYS 34 N -1.51 -0.39 -0.64 1.20 6.56 -1.91 -3.04 116.57 116.83 1pkt h LYS 34 Ca -0.46 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.13 1pkt h LYS 34 Cb 1.33 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 33.05 1pkt h LYS 34 CO 0.31 -0.26 0.31 0.78 -2.06 0.00 0.00 179.45 178.53 1pkt h GLY 35 N -0.83 0.99 1.22 3.86 0.00 -1.95 -1.20 103.07 105.16 1pkt h GLY 35 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1pkt h GLY 35 CO 0.07 0.47 0.39 1.76 0.00 0.00 0.00 176.54 179.22 1pkt h SER 36 N 0.88 0.00 0.30 0.19 0.02 -1.92 0.42 113.55 113.44 1pkt h SER 36 Ca 0.22 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.84 1pkt h SER 36 Cb 0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1pkt h SER 36 CO -0.03 0.00 -1.81 0.25 -1.14 0.00 0.00 176.83 174.10 1pkt h LEU 37 N 0.00 0.29 -1.06 5.07 6.46 -1.10 -3.33 115.31 121.64 1pkt h LEU 37 Ca 0.00 -0.58 0.00 0.00 -0.12 0.00 0.00 57.88 57.18 1pkt h LEU 37 Cb 0.77 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1pkt h LEU 37 CO 0.00 1.51 0.00 0.52 -0.62 0.00 0.00 178.44 179.85 1pkt n VAL 38 N -3.34 0.07 1.87 1.05 0.31 0.76 -3.90 118.33 115.14 1pkt n VAL 38 Ca -0.24 -0.30 0.03 0.00 -0.01 0.00 0.00 64.34 63.82 1pkt n VAL 38 Cb 1.05 0.50 0.15 0.00 -0.91 0.00 0.00 33.84 34.64 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 0.28 2.46 -2.40 3.52 0.00 0.11 -3.65 120.51 120.84 1pkt n ALA 39 Ca 0.18 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 1pkt n ALA 39 Cb 0.36 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.59 4.56 -3.68 0.00 4.77 -1.25 -4.94 117.00 115.88 1pkt n LEU 40 Ca 0.04 -5.03 -0.27 0.00 -0.03 0.00 0.00 56.01 50.72 1pkt n LEU 40 Cb 0.02 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1pkt n LEU 40 CO 0.03 2.17 -0.09 0.61 -1.33 0.00 0.00 177.39 178.78 1pkt n GLY 41 N -0.51 -0.76 0.00 -0.72 0.00 -1.24 -4.98 105.19 96.98 1pkt n GLY 41 Ca 0.38 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -4.14 -2.45 -4.29 1.61 3.01 -1.25 -5.11 117.46 104.85 1pkt n PHE 42 Ca -0.16 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.12 1pkt n PHE 42 Cb 0.62 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.95 1pkt n PHE 42 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pkt s SER 43 N -1.00 1.02 -0.79 4.37 0.15 -1.26 -5.05 113.70 111.13 1pkt s SER 43 Ca 0.00 -0.23 -0.25 0.00 0.70 0.00 0.00 55.95 56.16 1pkt s SER 43 Cb 0.00 -0.09 -0.15 0.00 -1.71 0.00 0.00 66.02 64.08 1pkt s SER 43 CO 0.00 0.05 2.41 -0.67 1.20 0.00 0.00 173.24 176.24 1pkt n ASP 44 N 2.59 1.72 0.00 5.45 -0.08 -1.26 -1.60 116.55 123.37 1pkt n ASP 44 Ca -0.15 -1.46 0.00 0.00 -1.51 0.00 0.00 54.79 51.67 1pkt n ASP 44 Cb 0.57 -1.63 0.00 0.00 2.34 0.00 0.00 41.12 42.39 1pkt n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pkt n GLY 45 N 6.77 1.08 1.65 0.27 0.00 -1.26 -4.98 105.19 108.73 1pkt n GLY 45 Ca 0.48 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 1.59 0.08 1.61 1.13 -0.63 -4.06 117.38 117.10 1pkt n GLN 46 Ca 0.00 -1.29 0.12 0.00 -1.94 0.00 0.00 57.00 53.89 1pkt n GLN 46 Cb 0.00 -1.51 0.06 0.00 0.11 0.00 0.00 30.24 28.91 1pkt n GLN 46 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1pkt n GLU 47 N 0.12 0.45 -0.10 -1.09 0.28 -1.26 -4.08 120.64 114.96 1pkt n GLU 47 Ca 0.25 0.09 0.03 0.00 -0.16 0.00 0.00 57.16 57.37 1pkt n GLU 47 Cb 0.80 -1.74 0.05 0.00 1.43 0.00 0.00 31.44 31.97 1pkt n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pkt n ALA 48 N -2.01 1.92 -3.62 -1.84 0.00 -1.26 -4.86 120.51 108.85 1pkt n ALA 48 Ca 0.01 -1.46 -0.27 0.00 0.00 0.00 0.00 53.44 51.72 1pkt n ALA 48 Cb 0.50 -0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.66 2.06 0.03 0.00 1.74 -1.26 -4.63 116.66 113.95 1pkt n ARG 49 Ca 0.05 -4.48 -0.10 0.00 -0.77 0.00 0.00 57.85 52.55 1pkt n ARG 49 Cb 0.49 -2.20 -0.04 0.00 -1.02 0.00 0.00 32.46 29.68 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 4.75 -0.27 -0.62 5.56 0.11 -1.85 0.70 132.00 140.37 1pkt h PRO 50 Ca 0.18 0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.48 1pkt h PRO 50 Cb 0.72 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 1pkt h PRO 50 CO 0.75 -0.18 0.52 1.05 -0.21 0.00 0.00 178.00 179.93 1pkt h GLU 51 N -0.28 0.00 -1.27 1.05 -0.00 -1.84 0.93 114.58 113.18 1pkt h GLU 51 Ca 0.08 0.00 -0.65 0.00 -0.00 0.00 0.00 59.36 58.79 1pkt h GLU 51 Cb 0.39 0.00 -0.35 0.00 -0.00 0.00 0.00 28.75 28.79 1pkt h GLU 51 CO -0.23 0.00 0.14 0.39 -0.00 0.00 0.00 179.01 179.31 1pkt n GLU 52 N -4.05 3.10 0.00 1.06 1.02 0.20 -4.51 120.64 117.47 1pkt n GLU 52 Ca 0.12 -3.83 0.00 0.00 -0.02 0.00 0.00 57.16 53.44 1pkt n GLU 52 Cb 0.76 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 -0.69 0.00 0.00 -3.67 5.41 0.32 -4.90 119.36 115.83 1pkt n ILE 53 Ca 0.51 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.26 1pkt n ILE 53 Cb 0.65 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 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 2.35 2.24 3.10 7.39 0.00 -1.22 -4.96 105.19 114.09 1pkt n GLY 54 Ca 0.00 -0.70 -0.12 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 -0.36 0.28 1.61 0.52 -1.26 -2.27 118.94 117.46 1pkt s TRP 55 Ca 0.00 0.85 0.11 0.00 0.02 0.00 0.00 56.10 57.08 1pkt s TRP 55 Cb 0.00 0.09 -0.05 0.00 -1.15 0.00 0.00 33.47 32.36 1pkt s TRP 55 CO 0.00 -0.24 -0.13 -0.51 0.02 0.00 0.00 176.95 176.10 1pkt s LEU 56 N 1.13 2.80 -0.30 2.99 1.02 -0.99 -4.88 118.68 120.45 1pkt s LEU 56 Ca -0.08 -0.92 -0.03 0.00 0.02 0.00 0.00 54.13 53.12 1pkt s LEU 56 Cb -0.09 -1.30 0.04 0.00 0.02 0.00 0.00 46.19 44.86 1pkt s LEU 56 CO -0.08 0.00 0.02 0.21 0.02 0.00 0.00 176.35 176.53 1pkt s ASN 57 N -3.57 4.93 0.02 2.29 3.84 -1.26 -1.76 114.94 119.42 1pkt s ASN 57 Ca 0.31 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 52.25 1pkt s ASN 57 Cb -0.05 -1.76 -0.00 0.00 -0.55 0.00 0.00 41.25 38.89 1pkt s ASN 57 CO 0.17 -0.25 0.01 0.61 -2.79 0.00 0.00 177.10 174.85 1pkt n GLY 58 N 4.70 4.03 3.15 1.21 0.00 -0.83 -4.46 105.19 112.99 1pkt n GLY 58 Ca -0.14 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.75 3.13 -1.32 1.61 5.04 -0.52 -2.53 117.35 121.02 1pkt s TYR 59 Ca 0.02 -1.83 -0.18 0.00 -2.44 0.00 0.00 57.07 52.64 1pkt s TYR 59 Cb 0.00 -2.02 0.05 0.00 0.35 0.00 0.00 41.96 40.34 1pkt s TYR 59 CO 0.01 -0.79 1.85 0.09 -1.34 0.00 0.00 175.55 175.36 1pkt n ASN 60 N 4.59 4.60 -0.26 4.32 5.03 0.64 -1.98 115.26 132.21 1pkt n ASN 60 Ca -0.16 -2.89 0.15 0.00 0.87 0.00 0.00 54.58 52.56 1pkt n ASN 60 Cb 0.45 -1.72 0.44 0.00 -1.02 0.00 0.00 39.78 37.93 1pkt n ASN 60 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1pkt h GLU 61 N 7.40 0.54 -0.93 3.52 4.22 -1.74 0.19 114.58 127.78 1pkt h GLU 61 Ca 0.46 -0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.98 1pkt h GLU 61 Cb 0.83 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.88 1pkt h GLU 61 CO 1.53 0.36 0.59 1.15 -2.18 0.00 0.00 179.01 180.47 1pkt h THR 62 N 0.56 0.93 -0.21 0.32 2.02 -1.86 -1.71 112.91 112.96 1pkt h THR 62 Ca 0.46 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1pkt h THR 62 Cb 0.93 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1pkt h THR 62 CO -0.21 0.16 -0.00 0.35 0.37 0.00 0.00 175.52 176.19 1pkt n THR 63 N -4.56 2.22 -4.13 3.16 -2.24 0.05 -4.97 114.28 103.81 1pkt n THR 63 Ca 0.17 -2.01 -0.35 0.00 -2.27 0.00 0.00 64.05 59.59 1pkt n THR 63 Cb 0.35 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.74 -0.43 3.31 3.38 0.00 0.44 -4.93 105.19 106.22 1pkt n GLY 64 Ca 0.21 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 -7.14 1.47 -0.13 1.61 0.41 -0.83 -4.99 118.70 109.10 1pkt s GLU 65 Ca 0.19 -1.82 -0.22 0.00 -0.41 0.00 0.00 54.97 52.71 1pkt s GLU 65 Cb -0.10 -0.12 0.05 0.00 -1.78 0.00 0.00 34.13 32.19 1pkt s GLU 65 CO 0.96 -0.38 0.57 0.50 -0.49 0.00 0.00 175.26 176.42 1pkt s ARG 66 N -3.95 0.79 0.00 1.61 3.52 -1.26 -0.26 118.95 119.40 1pkt s ARG 66 Ca 0.37 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1pkt s ARG 66 Cb 0.06 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.83 1pkt s ARG 66 CO 0.15 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1pkt n GLY 67 N 1.97 -0.48 3.96 8.12 0.00 -1.05 -4.78 105.19 112.94 1pkt n GLY 67 Ca -0.17 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 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 6.08 0.10 1.61 1.01 -0.93 -1.97 116.67 118.56 1pkt s ASP 68 Ca 0.00 -0.09 -0.25 0.00 0.71 0.00 0.00 52.55 52.92 1pkt s ASP 68 Cb 0.00 -1.52 0.08 0.00 1.01 0.00 0.00 42.92 42.49 1pkt s ASP 68 CO 0.00 -0.23 0.69 0.72 0.21 0.00 0.00 175.17 176.55 1pkt s PHE 69 N -2.09 -0.50 0.12 4.23 -0.71 -0.72 -2.27 117.98 116.03 1pkt s PHE 69 Ca 0.39 0.37 -0.32 0.00 -1.04 0.00 0.00 56.93 56.33 1pkt s PHE 69 Cb -0.09 0.54 -0.11 0.00 -1.21 0.00 0.00 43.02 42.15 1pkt s PHE 69 CO 0.30 -0.74 1.81 -2.30 -1.34 0.00 0.00 175.22 172.94 1pkt n PRO 70 N -0.22 2.67 -0.10 1.99 -0.02 -1.26 -2.35 135.00 135.72 1pkt n PRO 70 Ca -0.15 0.97 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1pkt n PRO 70 Cb 0.63 -2.85 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 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 8.17 0.64 2.00 -1.23 0.00 -1.66 -2.35 103.07 108.64 1pkt h GLY 71 Ca -0.46 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1pkt h GLY 71 CO 0.94 0.52 0.00 -1.30 0.00 0.00 0.00 176.54 176.70 1pkt n THR 72 N -4.43 1.47 -0.14 4.70 -2.24 -1.24 -1.06 114.28 111.34 1pkt n THR 72 Ca -0.03 0.54 0.05 0.00 -2.27 0.00 0.00 64.05 62.34 1pkt n THR 72 Cb 0.36 -1.52 0.26 0.00 -2.10 0.00 0.00 70.33 67.33 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 -1.83 1.26 -4.17 4.78 4.02 -0.88 -4.81 117.16 115.52 1pkt n TYR 73 Ca -0.00 -0.45 -0.12 0.00 -0.01 0.00 0.00 57.90 57.32 1pkt n TYR 73 Cb 0.05 -0.32 -0.05 0.00 -0.02 0.00 0.00 39.34 39.00 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 0.48 0.00 -3.25 -0.72 0.24 -0.22 -0.97 118.33 113.90 1pkt n VAL 74 Ca 0.18 -1.51 -0.07 0.00 -2.04 0.00 0.00 64.34 60.90 1pkt n VAL 74 Cb 0.81 0.76 -0.04 0.00 -1.47 0.00 0.00 33.84 33.90 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 -2.84 0.77 -0.31 7.34 -1.05 -0.25 -4.57 118.70 117.79 1pkt s GLU 75 Ca 0.25 -0.58 -0.41 0.00 -0.15 0.00 0.00 54.97 54.08 1pkt s GLU 75 Cb 0.01 -0.25 -0.17 0.00 -0.44 0.00 0.00 34.13 33.28 1pkt s GLU 75 CO 0.18 -1.21 1.69 0.98 0.95 0.00 0.00 175.26 177.85 1pkt n TYR 76 N 4.23 1.95 -2.00 4.83 9.36 -1.26 -2.21 117.16 132.05 1pkt n TYR 76 Ca 0.12 0.68 -0.00 0.00 3.32 0.00 0.00 57.90 62.02 1pkt n TYR 76 Cb 0.52 -2.40 -0.00 0.00 -0.63 0.00 0.00 39.34 36.83 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 4.33 0.00 -3.93 2.97 -0.00 -1.04 -4.91 119.36 116.78 1pkt n ILE 77 Ca 0.27 -0.01 -0.30 0.00 -0.00 0.00 0.00 62.75 62.71 1pkt n ILE 77 Cb 0.09 0.20 -0.16 0.00 -0.00 0.00 0.00 39.64 39.77 1pkt n ILE 77 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1pkt s GLY 78 N -0.40 1.19 0.00 7.39 0.00 0.11 -4.96 107.32 110.65 1pkt s GLY 78 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1pkt s GLY 78 CO -0.00 0.92 0.49 0.54 0.00 0.00 0.00 173.10 175.05