#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pya h GLU 2 N 0.00 0.00 -0.66 4.33 4.22 -2.07 -2.33 114.58 118.07 1pya h GLU 2 Ca 0.00 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.47 1pya h GLU 2 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1pya h GLU 2 CO 0.00 0.04 0.40 1.25 -2.18 0.00 0.00 179.01 178.52 1pya h LEU 3 N 0.00 0.65 -1.55 1.64 6.46 -2.05 -2.49 115.31 117.97 1pya h LEU 3 Ca -0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.72 1pya h LEU 3 Cb 0.10 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1pya h LEU 3 CO 0.00 0.45 -0.23 0.44 -0.62 0.00 0.00 178.44 178.48 1pya h ASP 4 N 0.78 0.00 0.43 1.25 3.32 -1.85 -0.75 116.42 119.60 1pya h ASP 4 Ca 0.27 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 1pya h ASP 4 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1pya h ASP 4 CO -0.11 0.23 -0.48 0.00 -1.72 0.00 0.00 179.24 177.15 1pya h ALA 5 N 1.77 1.14 0.02 3.45 0.00 -1.54 0.14 119.26 124.25 1pya h ALA 5 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1pya h ALA 5 Cb 0.41 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1pya h ALA 5 CO 0.03 0.62 -0.52 0.87 0.00 0.00 0.00 179.25 180.25 1pya h LYS 6 N 0.06 0.32 -0.05 0.00 1.79 -1.16 -3.19 116.57 114.34 1pya h LYS 6 Ca -0.00 -0.37 0.03 0.00 -2.18 0.00 0.00 60.65 58.13 1pya h LYS 6 Cb 0.88 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 1pya h LYS 6 CO 0.07 1.07 -0.11 -0.07 -1.08 0.00 0.00 179.45 179.33 1pya h LEU 7 N -0.28 -0.33 -1.58 2.94 4.07 -1.14 -2.72 115.31 116.26 1pya h LEU 7 Ca -0.07 0.06 0.15 0.00 0.08 0.00 0.00 57.88 58.10 1pya h LEU 7 Cb 1.27 0.15 -0.05 0.00 1.08 0.00 0.00 40.66 43.11 1pya h LEU 7 CO 0.10 -0.15 0.51 0.78 -1.08 0.00 0.00 178.44 178.60 1pya h ASN 8 N -0.17 0.38 0.56 -0.43 2.35 -0.52 0.14 115.58 117.90 1pya h ASN 8 Ca 0.06 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1pya h ASN 8 Cb 0.24 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1pya h ASN 8 CO -0.14 0.20 -0.20 0.11 -1.65 0.00 0.00 177.43 175.74 1pya h LYS 9 N 0.41 0.00 -0.00 0.81 1.57 -1.47 -1.32 116.57 116.57 1pya h LYS 9 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1pya h LYS 9 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1pya h LYS 9 CO -0.12 0.20 -0.07 1.28 -0.57 0.00 0.00 179.45 180.17 1pya n LEU 10 N -3.62 0.50 0.00 2.94 4.32 0.45 -4.91 117.00 116.69 1pya n LEU 10 Ca -0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1pya n LEU 10 Cb 0.33 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1pya n LEU 10 CO 0.33 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1pya n GLY 11 N 1.22 0.73 3.89 -0.72 0.00 -0.50 -5.08 105.19 104.74 1pya n GLY 11 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1pya n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pya s VAL 12 N -2.40 5.30 0.11 1.61 1.01 -0.92 -4.97 120.40 120.14 1pya s VAL 12 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1pya s VAL 12 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1pya s VAL 12 CO 0.00 0.28 0.03 1.51 0.00 0.00 0.00 175.10 176.92 1pya s ASP 13 N -1.93 0.44 -0.16 3.32 1.47 -1.26 -2.73 116.67 115.81 1pya s ASP 13 Ca 0.30 -1.14 0.17 0.00 1.18 0.00 0.00 52.55 53.06 1pya s ASP 13 Cb -0.13 0.25 0.43 0.00 -0.34 0.00 0.00 42.92 43.13 1pya s ASP 13 CO 0.19 -0.68 1.31 -1.14 0.68 0.00 0.00 175.17 175.53 1pya n ARG 14 N -0.05 2.16 -2.86 2.11 0.63 -1.26 -3.44 116.66 113.95 1pya n ARG 14 Ca -0.08 -2.76 -0.41 0.00 -0.92 0.00 0.00 57.85 53.68 1pya n ARG 14 Cb 0.63 -1.70 -0.04 0.00 0.45 0.00 0.00 32.46 31.80 1pya n ARG 14 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pya s ILE 15 N -2.88 4.76 -0.37 5.15 1.01 -1.26 -4.42 121.20 123.18 1pya s ILE 15 Ca 0.38 1.81 0.02 0.00 0.00 0.00 0.00 60.65 62.86 1pya s ILE 15 Cb 0.32 -4.20 0.15 0.00 0.01 0.00 0.00 42.46 38.74 1pya s ILE 15 CO 0.06 0.29 0.31 0.00 0.00 0.00 0.00 174.94 175.59 1pya s ALA 16 N 0.35 0.33 -0.03 9.38 0.00 -1.24 -0.27 121.76 130.27 1pya s ALA 16 Ca 0.44 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.93 1pya s ALA 16 Cb -0.21 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 1pya s ALA 16 CO 0.25 -2.12 -0.24 0.42 0.00 0.00 0.00 175.76 174.07 1pya s ILE 17 N 1.08 1.95 -0.07 0.00 1.09 -0.14 -4.95 121.20 120.16 1pya s ILE 17 Ca 0.20 -1.03 -0.16 0.00 -1.10 0.00 0.00 60.65 58.55 1pya s ILE 17 Cb -0.16 -1.63 -0.05 0.00 -1.06 0.00 0.00 42.46 39.56 1pya s ILE 17 CO -0.03 0.55 0.43 -0.55 -0.10 0.00 0.00 174.94 175.24 1pya s SER 18 N -0.39 6.73 0.00 3.58 0.15 -1.26 -0.48 113.70 122.03 1pya s SER 18 Ca 0.04 0.86 0.27 0.00 0.70 0.00 0.00 55.95 57.82 1pya s SER 18 Cb -0.11 -2.26 1.42 0.00 -1.71 0.00 0.00 66.02 63.36 1pya s SER 18 CO 0.01 0.16 1.93 -0.81 1.20 0.00 0.00 173.24 175.72 1pya n PRO 19 N 2.81 0.50 -3.10 5.44 -0.04 -1.26 -4.91 135.00 134.45 1pya n PRO 19 Ca -0.11 0.03 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 1pya n PRO 19 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1pya n PRO 19 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pya s TYR 20 N -2.42 3.52 0.08 0.54 2.02 -1.26 -5.07 117.35 114.76 1pya s TYR 20 Ca 0.29 0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 57.22 1pya s TYR 20 Cb 0.18 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 1pya s TYR 20 CO 0.38 -0.03 0.97 0.21 -1.57 0.00 0.00 175.55 175.52 1pya s LYS 21 N -4.47 4.65 0.00 -0.62 2.20 -1.26 -4.38 119.74 115.87 1pya s LYS 21 Ca 0.43 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 1pya s LYS 21 Cb -0.10 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1pya s LYS 21 CO 0.39 0.13 0.00 0.94 -0.36 0.00 0.00 175.35 176.45 1pya n GLN 22 N 3.10 0.00 -3.27 4.03 7.27 -1.26 -4.92 117.38 122.33 1pya n GLN 22 Ca 0.03 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.72 1pya n GLN 22 Cb 0.50 -0.31 -0.06 0.00 2.41 0.00 0.00 30.24 32.77 1pya n GLN 22 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1pya s TRP 23 N 0.00 3.79 0.75 3.69 0.51 -1.26 -5.08 118.94 121.33 1pya s TRP 23 Ca 0.00 1.26 -0.10 0.00 -2.12 0.00 0.00 56.10 55.14 1pya s TRP 23 Cb 0.00 -2.51 0.06 0.00 -0.81 0.00 0.00 33.47 30.21 1pya s TRP 23 CO 0.00 0.55 1.10 0.95 -0.51 0.00 0.00 176.95 179.05 1pya s THR 24 N -0.97 2.53 0.16 2.01 -4.23 -1.26 -4.60 115.64 109.28 1pya s THR 24 Ca 0.29 0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1pya s THR 24 Cb -0.19 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1pya s THR 24 CO 0.19 -0.18 0.11 -0.13 -0.54 0.00 0.00 174.62 174.06 1pya s ARG 25 N -5.41 1.05 0.37 3.99 0.52 -1.26 -5.07 118.95 113.13 1pya s ARG 25 Ca 0.60 -1.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.22 1pya s ARG 25 Cb -0.11 0.27 -0.07 0.00 0.52 0.00 0.00 34.95 35.56 1pya s ARG 25 CO 0.48 -0.33 0.72 0.20 0.02 0.00 0.00 175.30 176.40 1pya s GLY 26 N -3.08 1.99 0.24 -3.53 0.00 -1.26 -5.03 107.32 96.64 1pya s GLY 26 Ca 0.29 -0.24 -0.32 0.00 0.00 0.00 0.00 44.72 44.46 1pya s GLY 26 CO 0.05 -0.06 1.59 2.98 0.00 0.00 0.00 173.10 177.67 1pya n TYR 27 N -1.08 2.59 -0.64 1.90 9.36 -1.26 -2.34 117.16 125.70 1pya n TYR 27 Ca 0.02 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.47 1pya n TYR 27 Cb 0.54 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 1pya n TYR 27 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1pya n MET 28 N 2.87 0.00 -2.50 2.98 2.81 -1.26 -5.06 117.12 116.97 1pya n MET 28 Ca 0.13 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.61 1pya n MET 28 Cb 0.34 -1.88 -0.04 0.00 -0.71 0.00 0.00 33.22 30.93 1pya n MET 28 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1pya s GLU 29 N -0.18 4.63 0.20 0.03 2.02 -0.99 -4.94 118.70 119.47 1pya s GLU 29 Ca 0.00 1.76 -0.30 0.00 0.02 0.00 0.00 54.97 56.45 1pya s GLU 29 Cb 0.00 -3.23 -0.09 0.00 0.10 0.00 0.00 34.13 30.91 1pya s GLU 29 CO 0.00 0.16 1.41 -1.25 0.02 0.00 0.00 175.26 175.59 1pya s PRO 30 N -0.95 4.31 0.00 0.39 0.04 -1.26 -3.06 135.00 134.47 1pya s PRO 30 Ca 0.47 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1pya s PRO 30 Cb -0.31 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1pya s PRO 30 CO 0.38 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1pya n GLY 31 N 2.66 0.82 3.79 0.56 0.00 -1.26 -5.07 105.19 106.68 1pya n GLY 31 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1pya n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pya s ASN 32 N -1.94 5.74 -0.15 1.61 0.01 -1.17 -4.33 114.94 114.70 1pya s ASN 32 Ca 0.00 1.95 -0.06 0.00 -0.71 0.00 0.00 52.86 54.04 1pya s ASN 32 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1pya s ASN 32 CO 0.00 -1.20 0.06 -0.63 -1.51 0.00 0.00 177.10 173.82 1pya s ILE 33 N -2.21 4.80 0.00 0.60 1.09 0.37 -4.94 121.20 120.92 1pya s ILE 33 Ca 0.67 -0.04 0.00 0.00 -1.10 0.00 0.00 60.65 60.18 1pya s ILE 33 Cb -0.19 -3.12 0.00 0.00 -1.06 0.00 0.00 42.46 38.10 1pya s ILE 33 CO 0.33 0.52 0.00 0.61 -0.10 0.00 0.00 174.94 176.30 1pya n GLY 34 N 2.95 0.60 0.50 6.18 0.00 -1.26 -0.96 105.19 113.20 1pya n GLY 34 Ca -0.18 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.13 1pya n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pya n ASN 35 N -0.66 3.10 -1.31 1.61 3.02 -1.02 -4.80 115.26 115.21 1pya n ASN 35 Ca 0.00 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 1pya n ASN 35 Cb 0.00 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1pya n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pya n GLY 36 N -0.97 3.03 3.52 7.41 0.00 0.62 -4.81 105.19 113.99 1pya n GLY 36 Ca 0.19 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 1pya n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pya s TYR 37 N 0.83 -0.45 0.05 1.61 -0.85 -1.26 -4.54 117.35 112.74 1pya s TYR 37 Ca 0.00 0.18 0.06 0.00 -0.52 0.00 0.00 57.07 56.79 1pya s TYR 37 Cb 0.00 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 1pya s TYR 37 CO 0.00 -0.94 -0.17 0.08 -1.52 0.00 0.00 175.55 173.00 1pya s VAL 38 N -3.79 1.40 0.39 -3.49 1.01 -1.26 -4.94 120.40 109.71 1pya s VAL 38 Ca 0.03 -1.12 0.06 0.00 0.00 0.00 0.00 61.98 60.95 1pya s VAL 38 Cb -0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1pya s VAL 38 CO -0.08 0.09 0.22 0.28 0.00 0.00 0.00 175.10 175.60 1pya s THR 39 N -0.85 0.24 0.13 3.92 -1.32 -1.26 -5.01 115.64 111.49 1pya s THR 39 Ca 0.04 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.36 1pya s THR 39 Cb -0.08 -2.38 0.06 0.00 -1.51 0.00 0.00 72.50 68.58 1pya s THR 39 CO 0.02 0.00 0.77 0.61 -2.21 0.00 0.00 174.62 173.80 1pya n GLY 40 N -0.81 0.77 3.18 6.08 0.00 -1.26 -5.17 105.19 107.98 1pya n GLY 40 Ca 0.01 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 1pya n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pya s LEU 41 N 0.00 2.24 -0.18 0.99 1.02 -1.26 -5.09 118.68 116.41 1pya s LEU 41 Ca 0.17 -0.58 -0.02 0.00 0.02 0.00 0.00 54.13 53.73 1pya s LEU 41 Cb -0.02 -1.50 0.05 0.00 0.02 0.00 0.00 46.19 44.74 1pya s LEU 41 CO 0.04 0.05 -0.01 -0.75 0.02 0.00 0.00 176.35 175.70 1pya s LYS 42 N 1.02 1.00 -0.13 1.70 2.20 -1.26 -5.09 119.74 119.18 1pya s LYS 42 Ca -0.02 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1pya s LYS 42 Cb -0.15 -2.01 -0.01 0.00 -1.51 0.00 0.00 37.83 34.15 1pya s LYS 42 CO -0.05 -0.54 -0.15 0.14 -0.36 0.00 0.00 175.35 174.39 1pya s VAL 43 N 1.75 2.81 0.14 4.02 -7.23 -1.26 -5.13 120.40 115.50 1pya s VAL 43 Ca -0.00 -0.75 -0.17 0.00 -1.81 0.00 0.00 61.98 59.25 1pya s VAL 43 Cb -0.16 -2.16 0.04 0.00 0.56 0.00 0.00 36.38 34.66 1pya s VAL 43 CO -0.07 0.53 0.45 -1.81 -0.31 0.00 0.00 175.10 173.88 1pya s ASP 44 N 0.41 -0.29 0.14 4.85 1.01 -1.26 -5.08 116.67 116.44 1pya s ASP 44 Ca -0.12 -0.28 0.06 0.00 0.71 0.00 0.00 52.55 52.92 1pya s ASP 44 Cb -0.16 0.51 -0.04 0.00 1.01 0.00 0.00 42.92 44.23 1pya s ASP 44 CO 0.06 -0.90 -0.15 0.00 0.21 0.00 0.00 175.17 174.39 1pya s ALA 45 N -3.80 1.64 0.05 5.23 0.00 -1.26 -4.94 121.76 118.67 1pya s ALA 45 Ca 0.03 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 1pya s ALA 45 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1pya s ALA 45 CO -0.11 0.11 0.15 0.20 0.00 0.00 0.00 175.76 176.11 1pya s GLY 46 N -2.60 0.12 0.19 0.00 0.00 -1.26 -4.44 107.32 99.33 1pya s GLY 46 Ca 0.12 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.39 1pya s GLY 46 CO 0.04 -0.67 -0.09 -1.34 0.00 0.00 0.00 173.10 171.04 1pya s VAL 47 N -2.97 1.35 -0.05 1.40 -7.23 -1.26 -4.84 120.40 106.80 1pya s VAL 47 Ca -0.02 -2.11 -0.08 0.00 -1.81 0.00 0.00 61.98 57.96 1pya s VAL 47 Cb 0.01 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.91 1pya s VAL 47 CO -0.06 -0.58 0.20 -0.60 -0.31 0.00 0.00 175.10 173.75 1pya s ARG 48 N -3.74 0.35 0.47 4.82 6.06 -1.26 -4.61 118.95 121.05 1pya s ARG 48 Ca 0.22 0.07 -0.24 0.00 -2.50 0.00 0.00 55.73 53.28 1pya s ARG 48 Cb 0.02 0.16 -0.07 0.00 0.06 0.00 0.00 34.95 35.12 1pya s ARG 48 CO 0.05 -0.07 1.34 -0.51 -2.50 0.00 0.00 175.30 173.61 1pya s ASP 49 N -0.41 5.81 0.22 -2.12 1.01 -1.26 -4.92 116.67 115.01 1pya s ASP 49 Ca -0.05 2.72 -0.30 0.00 0.71 0.00 0.00 52.55 55.63 1pya s ASP 49 Cb -0.03 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.17 1pya s ASP 49 CO 0.01 -1.20 1.32 -0.75 0.21 0.00 0.00 175.17 174.76 1pya s LYS 50 N -2.59 4.38 0.42 8.23 2.47 -1.26 -4.99 119.74 126.41 1pya s LYS 50 Ca 0.64 2.09 0.00 0.00 -1.56 0.00 0.00 55.97 57.14 1pya s LYS 50 Cb -0.39 -3.17 0.00 0.00 -1.46 0.00 0.00 37.83 32.81 1pya s LYS 50 CO 0.49 -0.25 0.00 -1.13 0.16 0.00 0.00 175.35 174.62 1pya n SER 51 N 2.31 3.17 0.00 1.43 3.41 -1.26 -5.02 113.62 117.66 1pya n SER 51 Ca 0.05 -2.85 0.04 0.00 -0.26 0.00 0.00 58.87 55.85 1pya n SER 51 Cb 0.42 0.29 0.24 0.00 -0.26 0.00 0.00 64.21 64.90 1pya n SER 51 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1pya n ASP 52 N -1.26 0.00 -3.66 4.04 5.75 -1.26 -4.64 116.55 115.52 1pya n ASP 52 Ca -0.17 -0.54 -0.24 0.00 -0.01 0.00 0.00 54.79 53.82 1pya n ASP 52 Cb 0.54 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.45 1pya n ASP 52 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1pya s ASP 53 N -1.85 1.90 0.27 -1.12 -1.08 -1.26 -5.02 116.67 108.51 1pya s ASP 53 Ca 0.12 -0.34 0.03 0.00 -0.52 0.00 0.00 52.55 51.84 1pya s ASP 53 Cb 0.05 -0.25 0.37 0.00 -1.46 0.00 0.00 42.92 41.63 1pya s ASP 53 CO 0.09 -0.30 1.68 0.44 0.52 0.00 0.00 175.17 177.60 1pya h ASP 54 N 8.40 0.43 -0.28 -0.34 3.32 -1.99 -2.33 116.42 123.63 1pya h ASP 54 Ca -0.14 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1pya h ASP 54 Cb 1.13 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1pya h ASP 54 CO 0.24 0.75 0.04 0.58 -1.72 0.00 0.00 179.24 179.13 1pya h VAL 55 N 0.35 1.23 -0.22 -1.35 2.07 -1.99 0.64 116.25 117.00 1pya h VAL 55 Ca 0.04 -0.81 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 1pya h VAL 55 Cb 0.79 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1pya h VAL 55 CO 0.06 0.26 -0.44 -0.07 0.02 0.00 0.00 177.57 177.40 1pya h LEU 56 N 0.28 0.58 -1.21 2.57 3.38 -1.98 -0.52 115.31 118.39 1pya h LEU 56 Ca 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1pya h LEU 56 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1pya h LEU 56 CO 0.01 0.94 0.28 0.44 0.09 0.00 0.00 178.44 180.20 1pya h ASP 57 N 0.43 0.74 -0.04 -0.43 3.32 -1.25 -1.33 116.42 117.87 1pya h ASP 57 Ca 0.03 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1pya h ASP 57 Cb 0.95 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1pya h ASP 57 CO 0.08 0.63 0.01 1.23 -1.72 0.00 0.00 179.24 179.48 1pya h GLY 58 N 0.92 0.07 0.91 2.75 0.00 -0.07 -2.52 103.07 105.13 1pya h GLY 58 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1pya h GLY 58 CO -0.03 0.04 -0.05 -2.22 0.00 0.00 0.00 176.54 174.28 1pya h ILE 59 N -0.12 0.87 -0.02 2.60 2.04 -0.64 -1.83 117.51 120.41 1pya h ILE 59 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1pya h ILE 59 Cb 0.20 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1pya h ILE 59 CO -0.00 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.72 1pya h VAL 60 N -0.11 1.31 0.00 1.67 2.07 -1.34 -0.92 116.25 118.94 1pya h VAL 60 Ca 0.01 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1pya h VAL 60 Cb 0.12 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1pya h VAL 60 CO -0.03 0.25 -0.05 0.77 0.02 0.00 0.00 177.57 178.53 1pya h SER 61 N -0.33 0.00 -0.15 0.57 4.64 -1.44 -0.23 113.55 116.61 1pya h SER 61 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1pya h SER 61 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1pya h SER 61 CO 0.00 0.05 -0.07 0.22 -0.87 0.00 0.00 176.83 176.16 1pya h TYR 62 N 0.00 0.36 -0.61 4.77 3.20 -1.15 -2.57 116.97 120.97 1pya h TYR 62 Ca -0.00 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1pya h TYR 62 Cb 0.09 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1pya h TYR 62 CO 0.00 0.63 0.35 0.22 -1.64 0.00 0.00 178.16 177.73 1pya h ASP 63 N -0.02 0.73 0.05 -2.11 3.58 0.24 -0.44 116.42 118.45 1pya h ASP 63 Ca 0.03 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 1pya h ASP 63 Cb 0.54 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1pya h ASP 63 CO 0.02 0.57 -0.39 0.03 -2.88 0.00 0.00 179.24 176.60 1pya h ARG 64 N 0.84 0.44 -0.26 0.28 3.08 -1.02 -2.38 114.38 115.36 1pya h ARG 64 Ca 0.22 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 1pya h ARG 64 Cb -0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1pya h ARG 64 CO -0.04 0.76 -0.44 0.00 -1.07 0.00 0.00 179.97 179.19 1pya h ALA 65 N 1.22 0.74 -0.15 0.04 0.00 -0.80 -0.72 119.26 119.59 1pya h ALA 65 Ca 0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1pya h ALA 65 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1pya h ALA 65 CO 0.07 0.66 -0.13 0.93 0.00 0.00 0.00 179.25 180.78 1pya h GLU 66 N 0.53 0.24 0.00 0.00 5.08 -0.96 -3.02 114.58 116.44 1pya h GLU 66 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pya h GLU 66 Cb 0.97 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1pya h GLU 66 CO 0.09 0.38 -0.81 2.41 -1.00 0.00 0.00 179.01 180.08 1pya n THR 67 N -4.27 0.13 -2.64 1.13 -1.04 -0.91 -1.40 114.28 105.28 1pya n THR 67 Ca -0.01 -0.15 -0.36 0.00 -2.04 0.00 0.00 64.05 61.48 1pya n THR 67 Cb 0.27 0.24 -0.05 0.00 -1.82 0.00 0.00 70.33 68.97 1pya n THR 67 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1pya s LYS 68 N -3.12 4.33 0.38 -2.82 2.36 -0.30 -4.77 119.74 115.79 1pya s LYS 68 Ca 0.07 1.43 0.00 0.00 -2.55 0.00 0.00 55.97 54.92 1pya s LYS 68 Cb 0.15 -2.62 0.00 0.00 -1.05 0.00 0.00 37.83 34.31 1pya s LYS 68 CO 0.77 0.02 0.00 0.09 1.55 0.00 0.00 175.35 177.77 1pya n ASN 69 N 0.14 0.00 -4.68 1.43 5.03 -1.26 -4.49 115.26 111.43 1pya n ASN 69 Ca 0.04 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.07 1pya n ASN 69 Cb 0.50 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.23 1pya n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pya s ALA 70 N -1.01 3.67 -0.26 5.41 0.00 -1.26 -4.90 121.76 123.42 1pya s ALA 70 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 1pya s ALA 70 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1pya s ALA 70 CO 0.00 -1.32 1.21 -0.47 0.00 0.00 0.00 175.76 175.19 1pya s TYR 71 N 3.38 2.90 -0.28 0.00 5.04 -1.26 -4.73 117.35 122.40 1pya s TYR 71 Ca 0.80 1.04 0.17 0.00 -2.44 0.00 0.00 57.07 56.65 1pya s TYR 71 Cb -0.42 -3.67 0.49 0.00 0.35 0.00 0.00 41.96 38.71 1pya s TYR 71 CO 0.36 -1.38 1.12 0.44 -1.34 0.00 0.00 175.55 174.75 1pya n ILE 72 N 5.80 1.64 -2.52 3.14 -5.35 -0.49 -5.05 119.36 116.54 1pya n ILE 72 Ca 0.14 -3.37 -0.33 0.00 -0.27 0.00 0.00 62.75 58.91 1pya n ILE 72 Cb 0.46 0.48 -0.04 0.00 -1.74 0.00 0.00 39.64 38.81 1pya n ILE 72 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pya s GLY 73 N -3.69 2.39 -1.42 3.28 0.00 -1.24 -3.99 107.32 102.65 1pya s GLY 73 Ca 0.35 0.50 -0.00 0.00 0.00 0.00 0.00 44.72 45.56 1pya s GLY 73 CO -0.02 0.81 0.00 -1.06 0.00 0.00 0.00 173.10 172.83 1pya n GLN 74 N -1.10 -1.34 -4.07 2.90 6.02 -1.26 -5.01 117.38 113.51 1pya n GLN 74 Ca 0.08 0.81 -0.24 0.00 -0.01 0.00 0.00 57.00 57.64 1pya n GLN 74 Cb 0.53 -5.23 -0.04 0.00 1.02 0.00 0.00 30.24 26.51 1pya n GLN 74 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1pya s ILE 75 N -2.83 4.63 -0.43 5.09 -4.36 -1.26 -5.07 121.20 116.96 1pya s ILE 75 Ca 0.00 -1.17 -0.15 0.00 -0.26 0.00 0.00 60.65 59.06 1pya s ILE 75 Cb -0.00 -3.44 0.04 0.00 1.25 0.00 0.00 42.46 40.31 1pya s ILE 75 CO 0.00 -0.23 0.35 0.20 0.24 0.00 0.00 174.94 175.50 1pya s ASN 76 N -3.52 6.13 -0.24 4.36 0.01 -1.26 -5.05 114.94 115.37 1pya s ASN 76 Ca 0.32 -1.03 -0.24 0.00 -0.71 0.00 0.00 52.86 51.21 1pya s ASN 76 Cb -0.09 -2.18 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 1pya s ASN 76 CO 0.25 -0.54 0.79 -0.32 -1.51 0.00 0.00 177.10 175.77 1pya s MET 77 N 1.73 4.17 0.06 -0.60 1.75 -1.26 -5.06 119.30 120.09 1pya s MET 77 Ca 0.06 0.87 -0.02 0.00 -1.25 0.00 0.00 55.69 55.34 1pya s MET 77 Cb -0.21 -3.64 -0.04 0.00 2.84 0.00 0.00 34.83 33.78 1pya s MET 77 CO 0.09 -0.49 0.25 0.99 -0.65 0.00 0.00 175.02 175.21 1pya s THR 78 N 2.75 5.34 -0.16 10.11 2.01 -1.26 -5.11 115.64 129.32 1pya s THR 78 Ca 0.33 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.10 1pya s THR 78 Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1pya s THR 78 CO 0.08 0.19 0.02 -0.89 -0.69 0.00 0.00 174.62 173.33 1pya s THR 79 N -1.47 4.45 -0.08 -0.82 2.01 -1.26 -5.09 115.64 113.38 1pya s THR 79 Ca 0.34 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1pya s THR 79 Cb -0.13 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1pya s THR 79 CO 0.24 0.50 -0.15 0.00 -0.69 0.00 0.00 174.62 174.52 1pya s ALA 80 N 0.13 2.59 0.00 7.40 0.00 -1.26 -5.36 121.76 125.26 1pya s ALA 80 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1pya s ALA 80 Cb -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1pya s ALA 80 CO 0.01 0.41 0.15 -1.13 0.00 0.00 0.00 175.76 175.20