#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 3.29 2.98 0.62 0.00 -1.26 -4.12 105.19 106.70 1pkt n GLY 5 Ca 0.00 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 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 1.84 0.40 -0.05 1.61 2.02 0.23 -4.32 117.35 119.08 1pkt s TYR 6 Ca 0.00 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1pkt s TYR 6 Cb 0.00 -0.26 0.03 0.00 -0.40 0.00 0.00 41.96 41.33 1pkt s TYR 6 CO 0.00 -0.08 0.03 -0.65 -1.57 0.00 0.00 175.55 173.28 1pkt s GLN 7 N -0.94 0.26 0.44 -0.62 -0.21 -0.50 -0.47 119.66 117.62 1pkt s GLN 7 Ca -0.07 0.23 0.05 0.00 0.02 0.00 0.00 55.36 55.59 1pkt s GLN 7 Cb -0.06 -0.71 -0.05 0.00 1.00 0.00 0.00 33.01 33.19 1pkt s GLN 7 CO -0.00 -0.29 0.04 0.71 -2.12 0.00 0.00 175.29 173.63 1pkt s TYR 8 N 1.95 2.31 -0.04 0.91 2.02 -1.07 -2.30 117.35 121.13 1pkt s TYR 8 Ca 0.03 -0.75 0.06 0.00 -0.37 0.00 0.00 57.07 56.04 1pkt s TYR 8 Cb -0.12 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1pkt s TYR 8 CO -0.04 0.32 -0.21 1.03 -1.57 0.00 0.00 175.55 175.08 1pkt s ARG 9 N -3.80 2.32 -0.58 -0.62 0.52 -1.06 -2.30 118.95 113.43 1pkt s ARG 9 Ca 0.27 -0.83 -0.26 0.00 -0.52 0.00 0.00 55.73 54.39 1pkt s ARG 9 Cb 0.06 -2.19 0.04 0.00 0.52 0.00 0.00 34.95 33.38 1pkt s ARG 9 CO 0.14 0.57 1.08 0.00 0.02 0.00 0.00 175.30 177.10 1pkt s ALA 10 N -0.61 3.06 0.18 2.13 0.00 -0.61 -0.14 121.76 125.77 1pkt s ALA 10 Ca 0.09 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1pkt s ALA 10 Cb -0.11 -3.91 0.08 0.00 0.00 0.00 0.00 23.12 19.18 1pkt s ALA 10 CO 0.00 -2.59 1.48 -0.07 0.00 0.00 0.00 175.76 174.58 1pkt h LEU 11 N 11.56 0.63 0.00 0.00 4.07 -0.89 -1.38 115.31 129.29 1pkt h LEU 11 Ca -0.26 -0.35 -0.43 0.00 0.08 0.00 0.00 57.88 56.91 1pkt h LEU 11 Cb 1.06 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1pkt h LEU 11 CO 1.15 1.08 -0.16 -1.22 -1.08 0.00 0.00 178.44 178.21 1pkt n TYR 12 N -3.94 -1.40 -4.80 1.13 4.02 -1.08 -4.64 117.16 106.45 1pkt n TYR 12 Ca -0.04 -1.80 -0.33 0.00 -0.01 0.00 0.00 57.90 55.72 1pkt n TYR 12 Cb 0.63 -0.39 -0.13 0.00 -0.02 0.00 0.00 39.34 39.43 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 -3.70 4.12 0.13 7.72 -4.77 -1.26 -2.15 116.67 116.75 1pkt s ASP 13 Ca 0.34 -0.20 0.04 0.00 -3.30 0.00 0.00 52.55 49.43 1pkt s ASP 13 Cb -0.03 -0.87 -0.04 0.00 -1.09 0.00 0.00 42.92 40.89 1pkt s ASP 13 CO 0.22 0.33 -0.10 -0.47 0.70 0.00 0.00 175.17 175.85 1pkt s TYR 14 N -0.79 1.19 -0.01 2.11 5.04 -0.35 -4.90 117.35 119.64 1pkt s TYR 14 Ca 0.12 -0.73 -0.05 0.00 -2.44 0.00 0.00 57.07 53.97 1pkt s TYR 14 Cb -0.11 -0.62 -0.02 0.00 0.35 0.00 0.00 41.96 41.56 1pkt s TYR 14 CO 0.02 0.05 -0.10 1.17 -1.34 0.00 0.00 175.55 175.35 1pkt n LYS 15 N 0.06 0.15 0.00 4.97 3.00 -1.26 -0.38 118.16 124.70 1pkt n LYS 15 Ca -0.12 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1pkt n LYS 15 Cb 0.60 -0.66 0.00 0.00 0.00 0.00 0.00 35.03 34.97 1pkt n LYS 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1pkt n LYS 16 N -3.40 0.00 -0.10 1.64 4.81 -1.26 -2.60 118.16 117.24 1pkt n LYS 16 Ca -0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.23 1pkt n LYS 16 Cb 0.15 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.12 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 0.00 0.53 -1.32 1.64 2.13 -1.26 -4.94 120.64 117.42 1pkt n GLU 17 Ca 0.00 0.44 -0.31 0.00 0.66 0.00 0.00 57.16 57.95 1pkt n GLU 17 Cb 0.00 -1.63 0.09 0.00 0.27 0.00 0.00 31.44 30.16 1pkt n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pkt s ARG 18 N -2.44 2.32 0.00 5.31 3.52 -1.26 -4.86 118.95 121.54 1pkt s ARG 18 Ca -0.27 1.20 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 1pkt s ARG 18 Cb 0.06 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.55 1pkt s ARG 18 CO 0.44 -1.60 0.57 -0.85 -0.81 0.00 0.00 175.30 173.06 1pkt n GLU 19 N -3.38 0.72 -0.20 5.12 0.28 -1.26 -2.73 120.64 119.19 1pkt n GLU 19 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1pkt n GLU 19 Cb 0.53 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.17 1pkt n GLU 19 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1pkt n GLU 20 N 0.43 0.00 -2.95 3.44 -0.58 -1.26 -5.11 120.64 114.61 1pkt n GLU 20 Ca 0.00 -0.38 -0.25 0.00 -0.42 0.00 0.00 57.16 56.11 1pkt n GLU 20 Cb 0.28 -0.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.88 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1pkt s ASP 21 N -0.22 6.08 0.03 1.62 -4.77 -1.10 -1.58 116.67 116.72 1pkt s ASP 21 Ca 0.00 0.57 0.07 0.00 -3.30 0.00 0.00 52.55 49.89 1pkt s ASP 21 Cb 0.00 -1.92 -0.03 0.00 -1.09 0.00 0.00 42.92 39.88 1pkt s ASP 21 CO 0.00 -0.57 -0.21 0.27 0.70 0.00 0.00 175.17 175.36 1pkt s ILE 22 N -2.58 2.54 -0.38 2.11 -5.25 -0.92 -4.73 121.20 111.99 1pkt s ILE 22 Ca 0.46 -1.19 -0.36 0.00 -0.99 0.00 0.00 60.65 58.56 1pkt s ILE 22 Cb -0.10 -2.02 -0.13 0.00 2.95 0.00 0.00 42.46 43.17 1pkt s ILE 22 CO 0.40 0.40 2.19 0.47 -1.79 0.00 0.00 174.94 176.61 1pkt n ASP 23 N 1.79 1.88 -4.85 4.36 9.92 -1.07 -4.63 116.55 123.95 1pkt n ASP 23 Ca -0.16 0.44 -0.26 0.00 -0.53 0.00 0.00 54.79 54.27 1pkt n ASP 23 Cb 0.52 -1.20 -0.05 0.00 -0.64 0.00 0.00 41.12 39.75 1pkt n ASP 23 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1pkt s LEU 24 N 7.20 3.99 -0.15 0.64 2.96 0.49 -4.96 118.68 128.85 1pkt s LEU 24 Ca 1.12 -0.02 -0.19 0.00 -0.22 0.00 0.00 54.13 54.82 1pkt s LEU 24 Cb -0.96 -2.59 0.05 0.00 0.50 0.00 0.00 46.19 43.19 1pkt s LEU 24 CO 0.51 0.07 0.50 -1.00 -1.32 0.00 0.00 176.35 175.12 1pkt s HIS 25 N -1.73 -0.52 0.17 5.38 3.76 -1.26 -1.21 115.29 119.87 1pkt s HIS 25 Ca 0.32 1.21 -0.32 0.00 -0.15 0.00 0.00 55.06 56.11 1pkt s HIS 25 Cb -0.10 0.20 -0.16 0.00 1.11 0.00 0.00 32.58 33.63 1pkt s HIS 25 CO 0.25 -0.32 1.09 -0.11 -0.85 0.00 0.00 174.74 174.80 1pkt n LEU 26 N 2.41 1.22 0.00 0.89 0.00 -0.91 -0.55 117.00 120.05 1pkt n LEU 26 Ca -0.15 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.00 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 0.13 -1.49 0.00 0.61 0.00 0.00 0.00 177.39 176.64 1pkt n GLY 27 N 1.91 0.74 3.78 -3.96 0.00 -0.52 -4.99 105.19 102.15 1pkt n GLY 27 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1pkt n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkt s ASP 28 N -2.41 6.91 -0.02 1.61 1.11 0.28 -4.87 116.67 119.29 1pkt s ASP 28 Ca 0.00 1.09 -0.12 0.00 0.18 0.00 0.00 52.55 53.69 1pkt s ASP 28 Cb 0.00 -2.33 -0.05 0.00 1.07 0.00 0.00 42.92 41.61 1pkt s ASP 28 CO 0.00 0.16 0.35 -0.63 1.18 0.00 0.00 175.17 176.23 1pkt s ILE 29 N -0.39 5.14 -0.22 0.77 -1.09 -1.26 -1.57 121.20 122.57 1pkt s ILE 29 Ca 0.28 0.66 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 1pkt s ILE 29 Cb -0.18 -3.64 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 1pkt s ILE 29 CO 0.16 0.56 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.60 1pkt s LEU 30 N -1.16 2.43 -0.87 2.97 1.02 -0.97 -2.89 118.68 119.20 1pkt s LEU 30 Ca 0.23 -1.08 -0.22 0.00 0.02 0.00 0.00 54.13 53.08 1pkt s LEU 30 Cb -0.15 -1.16 0.08 0.00 0.02 0.00 0.00 46.19 44.98 1pkt s LEU 30 CO 0.12 -0.22 1.20 -0.89 0.02 0.00 0.00 176.35 176.58 1pkt s THR 31 N 1.42 4.30 -0.33 5.49 2.01 -0.68 -2.58 115.64 125.27 1pkt s THR 31 Ca -0.04 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 60.97 1pkt s THR 31 Cb -0.18 -4.85 -0.02 0.00 0.01 0.00 0.00 72.50 67.46 1pkt s THR 31 CO -0.07 -1.65 0.24 -0.69 -0.69 0.00 0.00 174.62 171.76 1pkt s VAL 32 N 3.97 5.29 1.11 3.82 1.01 0.38 -1.10 120.40 134.87 1pkt s VAL 32 Ca 0.34 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1pkt s VAL 32 Cb -0.07 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.81 1pkt s VAL 32 CO -0.03 0.02 0.66 0.59 0.00 0.00 0.00 175.10 176.35 1pkt n ASN 33 N 5.11 -1.72 -0.49 3.32 3.02 -1.26 -0.60 115.26 122.64 1pkt n ASN 33 Ca -0.13 -0.03 0.14 0.00 -0.03 0.00 0.00 54.58 54.53 1pkt n ASN 33 Cb 0.50 -1.19 0.50 0.00 -0.61 0.00 0.00 39.78 38.98 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 -3.68 1.68 -0.10 3.52 -0.00 -1.26 -4.19 118.16 114.13 1pkt n LYS 34 Ca 0.04 -0.99 -0.15 0.00 -0.00 0.00 0.00 58.31 57.21 1pkt n LYS 34 Cb 0.56 -1.47 -0.05 0.00 -0.00 0.00 0.00 35.03 34.07 1pkt n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pkt n GLY 35 N 1.17 -0.61 0.56 2.58 0.00 -1.26 -2.80 105.19 104.82 1pkt n GLY 35 Ca 0.19 -0.21 0.39 0.00 0.00 0.00 0.00 46.02 46.38 1pkt n GLY 35 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pkt h SER 36 N -1.00 0.10 0.12 1.61 4.64 -1.94 0.52 113.55 117.60 1pkt h SER 36 Ca -0.22 0.03 -0.37 0.00 -0.47 0.00 0.00 61.79 60.77 1pkt h SER 36 Cb 1.11 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1pkt h SER 36 CO -0.13 -0.02 -2.03 -0.11 -0.87 0.00 0.00 176.83 173.67 1pkt n LEU 37 N -4.26 2.66 0.00 5.97 0.00 -1.26 -3.89 117.00 116.22 1pkt n LEU 37 Ca 0.33 0.19 0.11 0.00 0.00 0.00 0.00 56.01 56.64 1pkt n LEU 37 Cb 1.45 -1.11 0.65 0.00 0.00 0.00 0.00 43.42 44.41 1pkt n LEU 37 CO 0.36 0.86 0.87 0.52 0.00 0.00 0.00 177.39 180.00 1pkt n VAL 38 N -3.47 0.00 0.25 1.96 0.31 0.44 -3.50 118.33 114.32 1pkt n VAL 38 Ca -0.33 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.14 1pkt n VAL 38 Cb 1.04 -0.51 0.72 0.00 -0.91 0.00 0.00 33.84 34.19 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 3.48 1.15 0.00 3.52 0.00 -0.23 0.17 119.26 127.34 1pkt h ALA 39 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1pkt h ALA 39 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1pkt h ALA 39 CO 0.00 -0.15 -2.02 1.28 0.00 0.00 0.00 179.25 178.36 1pkt n LEU 40 N -2.55 0.21 0.00 0.00 7.99 -1.23 -4.97 117.00 116.45 1pkt n LEU 40 Ca -0.02 0.09 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1pkt n LEU 40 Cb 0.22 0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.76 1pkt n LEU 40 CO 0.12 0.25 0.00 0.61 -1.51 0.00 0.00 177.39 176.86 1pkt n GLY 41 N 1.50 1.91 3.38 -0.72 0.00 0.59 -5.09 105.19 106.76 1pkt n GLY 41 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -1.37 -1.86 1.61 3.01 -1.26 -4.92 117.46 112.68 1pkt n PHE 42 Ca 0.00 0.53 -0.30 0.00 1.01 0.00 0.00 57.45 58.69 1pkt n PHE 42 Cb 0.00 -1.88 0.06 0.00 -0.01 0.00 0.00 39.48 37.65 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 -1.03 5.22 -0.09 4.37 0.01 -1.26 -4.93 113.70 115.99 1pkt s SER 43 Ca 0.63 1.09 -0.29 0.00 1.31 0.00 0.00 55.95 58.68 1pkt s SER 43 Cb -0.55 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 1pkt s SER 43 CO 0.60 -1.48 1.68 -0.62 0.41 0.00 0.00 173.24 173.82 1pkt s ASP 44 N -4.35 6.57 0.00 2.44 2.15 -1.26 -1.56 116.67 120.65 1pkt s ASP 44 Ca 0.59 2.13 0.00 0.00 0.43 0.00 0.00 52.55 55.70 1pkt s ASP 44 Cb -0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1pkt s ASP 44 CO 0.52 -1.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 1pkt n GLY 45 N 4.29 2.77 0.25 2.66 0.00 -1.26 -4.90 105.19 109.00 1pkt n GLY 45 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 2.89 0.27 0.00 1.61 5.75 -1.65 -0.92 115.11 123.06 1pkt h GLN 46 Ca 0.00 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1pkt h GLN 46 Cb 0.00 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 1pkt h GLN 46 CO 0.00 0.34 -0.05 1.49 -2.65 0.00 0.00 178.83 177.96 1pkt h GLU 47 N 0.26 0.00 0.00 1.69 4.81 -1.91 -1.62 114.58 117.81 1pkt h GLU 47 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1pkt h GLU 47 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1pkt h GLU 47 CO 0.01 0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.34 1pkt n ALA 48 N -2.13 2.00 -3.68 2.92 0.00 -0.35 -3.92 120.51 115.35 1pkt n ALA 48 Ca -0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 1pkt n ALA 48 Cb 0.27 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.48 2.22 -0.07 0.00 0.63 -0.61 -4.16 116.66 113.19 1pkt n ARG 49 Ca 0.06 -4.57 -0.07 0.00 -0.92 0.00 0.00 57.85 52.34 1pkt n ARG 49 Cb 0.24 -2.29 -0.01 0.00 0.45 0.00 0.00 32.46 30.86 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1pkt h PRO 50 N 4.92 0.13 -0.93 -0.14 0.11 -1.76 -1.06 132.00 133.26 1pkt h PRO 50 Ca 0.17 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.54 1pkt h PRO 50 Cb 0.71 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1pkt h PRO 50 CO 0.79 0.09 1.01 1.05 -0.21 0.00 0.00 178.00 180.73 1pkt h GLU 51 N 0.14 0.00 -1.69 1.05 -0.00 -1.80 0.46 114.58 112.74 1pkt h GLU 51 Ca 0.12 0.00 -0.64 0.00 -0.00 0.00 0.00 59.36 58.84 1pkt h GLU 51 Cb 0.14 0.00 -0.38 0.00 -0.00 0.00 0.00 28.75 28.51 1pkt h GLU 51 CO -0.17 0.00 -0.20 -1.91 -0.00 0.00 0.00 179.01 176.73 1pkt n GLU 52 N -3.44 3.26 0.00 1.06 2.13 -0.40 -4.62 120.64 118.62 1pkt n GLU 52 Ca 0.20 -4.25 0.00 0.00 0.66 0.00 0.00 57.16 53.78 1pkt n GLU 52 Cb 1.31 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 30.76 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1pkt n ILE 53 N -0.48 0.00 0.00 6.31 5.41 0.16 -4.98 119.36 125.78 1pkt n ILE 53 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.18 1pkt n ILE 53 Cb 0.52 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 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 1.94 2.38 2.92 7.39 0.00 -1.24 -5.00 105.19 113.57 1pkt n GLY 54 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 0.14 0.05 1.61 0.52 -1.26 -2.62 118.94 117.38 1pkt s TRP 55 Ca 0.00 -0.21 0.04 0.00 0.02 0.00 0.00 56.10 55.95 1pkt s TRP 55 Cb 0.00 -0.10 -0.02 0.00 -1.15 0.00 0.00 33.47 32.20 1pkt s TRP 55 CO 0.00 -0.07 -0.12 -0.51 0.02 0.00 0.00 176.95 176.27 1pkt s LEU 56 N -0.59 2.22 -0.31 2.99 1.02 -0.67 -4.88 118.68 118.45 1pkt s LEU 56 Ca -0.06 -0.51 -0.02 0.00 0.02 0.00 0.00 54.13 53.55 1pkt s LEU 56 Cb -0.04 -0.45 0.05 0.00 0.02 0.00 0.00 46.19 45.77 1pkt s LEU 56 CO -0.00 -0.06 0.02 0.21 0.02 0.00 0.00 176.35 176.54 1pkt s ASN 57 N -1.39 4.95 0.00 2.29 3.84 -1.26 -1.22 114.94 122.15 1pkt s ASN 57 Ca -0.02 -1.30 0.00 0.00 0.21 0.00 0.00 52.86 51.74 1pkt s ASN 57 Cb -0.09 -1.73 0.00 0.00 -0.55 0.00 0.00 41.25 38.88 1pkt s ASN 57 CO 0.01 -0.28 0.00 0.61 -2.79 0.00 0.00 177.10 174.65 1pkt n GLY 58 N 4.64 6.06 3.10 1.21 0.00 -0.78 -4.17 105.19 115.24 1pkt n GLY 58 Ca -0.12 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 0.09 2.89 -1.34 1.61 5.04 -0.26 -2.29 117.35 123.10 1pkt s TYR 59 Ca 0.00 -1.83 -0.17 0.00 -2.44 0.00 0.00 57.07 52.63 1pkt s TYR 59 Cb 0.00 -1.91 0.05 0.00 0.35 0.00 0.00 41.96 40.46 1pkt s TYR 59 CO 0.00 -0.82 1.90 0.09 -1.34 0.00 0.00 175.55 175.38 1pkt n ASN 60 N 4.57 4.49 -0.33 4.32 3.02 0.96 -1.68 115.26 130.61 1pkt n ASN 60 Ca -0.19 -2.88 0.27 0.00 -0.03 0.00 0.00 54.58 51.75 1pkt n ASN 60 Cb 0.48 -1.71 0.58 0.00 -0.61 0.00 0.00 39.78 38.51 1pkt n ASN 60 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1pkt h GLU 61 N 7.16 0.27 -0.61 3.52 5.08 -1.73 0.27 114.58 128.54 1pkt h GLU 61 Ca 0.48 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.95 1pkt h GLU 61 Cb 0.80 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.88 1pkt h GLU 61 CO 1.60 0.18 -0.02 1.15 -1.00 0.00 0.00 179.01 180.91 1pkt h THR 62 N 0.28 0.47 -0.22 1.13 2.02 -1.86 -0.27 112.91 114.46 1pkt h THR 62 Ca 0.60 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.75 1pkt h THR 62 Cb 1.76 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1pkt h THR 62 CO -0.24 0.02 0.00 1.07 0.37 0.00 0.00 175.52 176.74 1pkt n THR 63 N -5.30 0.29 -3.38 3.16 5.66 0.18 -4.96 114.28 109.93 1pkt n THR 63 Ca 0.09 -0.65 -0.18 0.00 -3.05 0.00 0.00 64.05 60.26 1pkt n THR 63 Cb 0.35 1.18 0.08 0.00 -1.55 0.00 0.00 70.33 70.39 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 1.31 -0.34 1.58 1.09 0.00 0.72 -5.00 105.19 104.55 1pkt n GLY 64 Ca 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1pkt n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pkt n GLU 65 N -4.16 0.28 -3.69 1.61 -0.58 -1.03 -4.98 120.64 108.09 1pkt n GLU 65 Ca -0.15 -1.64 -0.15 0.00 -0.42 0.00 0.00 57.16 54.80 1pkt n GLU 65 Cb 0.61 1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 32.68 1pkt n GLU 65 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1pkt s ARG 66 N -2.68 0.79 0.00 3.49 1.70 -1.26 -0.03 118.95 120.96 1pkt s ARG 66 Ca 0.18 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.38 1pkt s ARG 66 Cb 0.01 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1pkt s ARG 66 CO 0.13 -0.23 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1pkt n GLY 67 N 1.16 -0.90 3.99 3.88 0.00 -0.97 -4.83 105.19 107.51 1pkt n GLY 67 Ca -0.21 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 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 5.86 -0.09 1.61 1.01 -0.62 -1.87 116.67 118.57 1pkt s ASP 68 Ca 0.00 -0.26 -0.30 0.00 0.71 0.00 0.00 52.55 52.70 1pkt s ASP 68 Cb 0.00 -1.09 0.12 0.00 1.01 0.00 0.00 42.92 42.96 1pkt s ASP 68 CO 0.00 -0.50 0.98 0.72 0.21 0.00 0.00 175.17 176.58 1pkt s PHE 69 N -2.22 -0.32 0.14 4.23 -0.71 -0.36 -2.16 117.98 116.59 1pkt s PHE 69 Ca 0.47 0.34 -0.31 0.00 -1.04 0.00 0.00 56.93 56.39 1pkt s PHE 69 Cb -0.09 0.50 -0.11 0.00 -1.21 0.00 0.00 43.02 42.11 1pkt s PHE 69 CO 0.31 -0.42 1.79 -2.14 -1.34 0.00 0.00 175.22 173.42 1pkt s PRO 70 N -2.28 4.14 0.46 1.99 0.02 -1.26 -1.68 135.00 136.38 1pkt s PRO 70 Ca 0.03 2.58 0.26 0.00 0.02 0.00 0.00 61.00 63.89 1pkt s PRO 70 Cb -0.01 -3.45 0.84 0.00 0.02 0.00 0.00 34.50 31.90 1pkt s PRO 70 CO -0.05 -0.81 1.79 0.78 -0.33 0.00 0.00 177.00 178.38 1pkt h GLY 71 N 8.10 0.00 1.49 0.52 0.00 -1.75 -2.67 103.07 108.77 1pkt h GLY 71 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1pkt h GLY 71 CO 0.95 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.19 1pkt n THR 72 N -3.23 0.34 0.90 4.70 -2.24 -1.26 -2.26 114.28 111.24 1pkt n THR 72 Ca 0.01 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 1pkt n THR 72 Cb 0.45 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.25 0.00 -3.90 4.78 4.02 -1.01 -4.89 117.16 114.92 1pkt n TYR 73 Ca 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.96 1pkt n TYR 73 Cb 0.15 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 -0.23 0.00 -3.23 -0.72 0.24 -0.96 -0.25 118.33 113.19 1pkt n VAL 74 Ca 0.08 -0.26 -0.02 0.00 -2.04 0.00 0.00 64.34 62.09 1pkt n VAL 74 Cb 0.41 -0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.23 0.71 0.26 7.34 -1.05 0.80 -4.67 118.70 119.86 1pkt s GLU 75 Ca 0.01 -0.16 -0.28 0.00 -0.15 0.00 0.00 54.97 54.38 1pkt s GLU 75 Cb -0.00 -0.03 -0.15 0.00 -0.44 0.00 0.00 34.13 33.51 1pkt s GLU 75 CO 0.01 -1.15 0.94 0.98 0.95 0.00 0.00 175.26 176.98 1pkt n TYR 76 N 4.66 0.96 -0.62 4.83 4.19 -1.26 -2.56 117.16 127.37 1pkt n TYR 76 Ca 0.09 0.75 0.00 0.00 3.31 0.00 0.00 57.90 62.05 1pkt n TYR 76 Cb 0.54 -2.20 0.00 0.00 0.49 0.00 0.00 39.34 38.17 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 0.30 0.00 0.00 2.97 -0.00 -0.97 -4.89 119.36 116.77 1pkt n ILE 77 Ca 0.12 -0.18 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 1pkt n ILE 77 Cb 0.30 1.62 0.00 0.00 -0.00 0.00 0.00 39.64 41.56 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 0.02 3.26 0.00 7.39 0.00 -1.23 -5.05 105.19 109.58 1pkt n GLY 78 Ca 0.00 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.35 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36