#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jya s SER 2 N 0.00 2.57 -0.01 7.83 1.04 -1.26 -3.64 113.70 120.23 2jya s SER 2 Ca 0.00 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 2jya s SER 2 Cb 0.00 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.91 2jya s SER 2 CO 0.00 0.08 0.18 0.00 0.98 0.00 0.00 173.24 174.48 2jya s ALA 3 N 0.66 3.96 -0.19 5.32 0.00 -0.05 -4.04 121.76 127.42 2jya s ALA 3 Ca -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2jya s ALA 3 Cb -0.16 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 2jya s ALA 3 CO 0.03 0.75 -0.03 -1.59 0.00 0.00 0.00 175.76 174.92 2jya s LYS 4 N -1.96 3.54 -0.19 0.00 -2.85 0.43 -1.32 119.74 117.40 2jya s LYS 4 Ca 0.28 -0.57 -0.12 0.00 -1.00 0.00 0.00 55.97 54.56 2jya s LYS 4 Cb -0.13 -2.98 -0.05 0.00 -2.06 0.00 0.00 37.83 32.61 2jya s LYS 4 CO 0.19 0.02 0.20 0.42 0.10 0.00 0.00 175.35 176.28 2jya s ILE 5 N 0.94 5.36 0.37 3.79 1.01 -0.58 -1.64 121.20 130.46 2jya s ILE 5 Ca 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.93 2jya s ILE 5 Cb -0.15 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2jya s ILE 5 CO 0.01 0.41 0.58 0.00 0.00 0.00 0.00 174.94 175.95 2jya n TYR 6 N 3.59 -1.74 -3.43 3.97 4.11 -0.81 -0.15 117.16 122.70 2jya n TYR 6 Ca -0.14 -2.21 -0.22 0.00 -0.00 0.00 0.00 57.90 55.33 2jya n TYR 6 Cb 0.52 0.67 -0.11 0.00 -0.00 0.00 0.00 39.34 40.42 2jya n TYR 6 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2jya s ARG 7 N -2.58 0.42 0.02 -3.48 3.52 -1.26 -0.31 118.95 115.27 2jya s ARG 7 Ca 0.25 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 55.20 2jya s ARG 7 Cb -0.02 -0.92 0.01 0.00 -1.56 0.00 0.00 34.95 32.46 2jya s ARG 7 CO 0.18 -1.11 0.03 -0.35 -0.81 0.00 0.00 175.30 173.24 2jya n PRO 8 N 4.78 -0.20 0.21 5.12 -0.04 -1.26 -3.67 135.00 139.94 2jya n PRO 8 Ca 0.03 -0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2jya n PRO 8 Cb 0.43 -0.03 0.22 0.00 -0.04 0.00 0.00 33.50 34.08 2jya n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jya h ALA 9 N -2.00 0.94 -2.81 0.55 0.00 -2.00 -3.43 119.26 110.51 2jya h ALA 9 Ca -0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2jya h ALA 9 Cb 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.50 2jya h ALA 9 CO 0.01 0.14 -0.46 -1.59 0.00 0.00 0.00 179.25 177.35 2jya s LYS 10 N -3.24 0.23 -0.24 0.00 -2.85 -1.26 -5.06 119.74 107.32 2jya s LYS 10 Ca 0.05 0.75 -0.17 0.00 -1.00 0.00 0.00 55.97 55.61 2jya s LYS 10 Cb 0.06 0.01 -0.14 0.00 -2.06 0.00 0.00 37.83 35.71 2jya s LYS 10 CO 0.67 -0.23 -0.16 0.25 0.10 0.00 0.00 175.35 175.98 2jya n THR 11 N 4.91 1.53 -3.45 3.79 -2.24 -1.26 -4.93 114.28 112.63 2jya n THR 11 Ca -0.14 -0.21 -0.20 0.00 -2.27 0.00 0.00 64.05 61.23 2jya n THR 11 Cb 0.51 -1.98 -0.12 0.00 -2.10 0.00 0.00 70.33 66.64 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jya s ALA 12 N -2.49 -0.20 -0.14 6.98 0.00 -1.26 -5.03 121.76 119.62 2jya s ALA 12 Ca -0.34 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.40 2jya s ALA 12 Cb 0.11 -1.60 -0.23 0.00 0.00 0.00 0.00 23.12 21.40 2jya s ALA 12 CO 0.51 -1.57 0.29 0.00 0.00 0.00 0.00 175.76 174.99 2jya n MET 13 N 5.30 0.67 -3.92 0.00 3.85 -1.26 -2.64 117.12 119.12 2jya n MET 13 Ca -0.04 0.16 -0.35 0.00 -1.00 0.00 0.00 57.70 56.48 2jya n MET 13 Cb 0.46 -1.65 -0.08 0.00 -1.05 0.00 0.00 33.22 30.90 2jya n MET 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2jya s GLN 14 N -2.54 3.85 0.11 3.17 -0.44 -1.26 -4.66 119.66 117.89 2jya s GLN 14 Ca -0.13 -0.26 0.00 0.00 -2.50 0.00 0.00 55.36 52.47 2jya s GLN 14 Cb 0.07 -3.24 0.00 0.00 -1.64 0.00 0.00 33.01 28.20 2jya s GLN 14 CO 0.79 0.43 0.00 0.45 0.50 0.00 0.00 175.29 177.46 2jya n SER 15 N 3.08 0.00 -4.34 6.67 2.88 -1.26 -4.43 113.62 116.21 2jya n SER 15 Ca -0.17 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.94 2jya n SER 15 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2jya n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jya n GLY 16 N 0.00 3.19 3.57 0.46 0.00 -1.26 -4.93 105.19 106.22 2jya n GLY 16 Ca 0.00 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 2jya n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jya s THR 17 N 3.51 3.68 -0.01 2.61 -4.23 -1.26 -4.53 115.64 115.42 2jya s THR 17 Ca 0.50 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.87 2jya s THR 17 Cb 0.06 -4.57 -0.03 0.00 1.34 0.00 0.00 72.50 69.29 2jya s THR 17 CO 0.03 -1.34 1.07 0.00 -0.54 0.00 0.00 174.62 173.84 2jya s ALA 18 N 8.36 3.31 -0.01 3.99 0.00 -1.08 -4.94 121.76 131.38 2jya s ALA 18 Ca 0.62 0.60 0.11 0.00 0.00 0.00 0.00 51.96 53.29 2jya s ALA 18 Cb -0.02 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 2jya s ALA 18 CO 0.03 -0.42 1.20 0.87 0.00 0.00 0.00 175.76 177.43 2jya h LYS 19 N 6.95 0.00 -6.14 0.00 1.79 -1.93 -3.43 116.57 113.81 2jya h LYS 19 Ca -0.38 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.56 2jya h LYS 19 Cb 1.20 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.77 2jya h LYS 19 CO 0.80 0.71 1.21 0.95 -1.08 0.00 0.00 179.45 182.04 2jya s THR 20 N -2.79 3.70 -0.94 -0.16 -4.23 -1.26 -4.94 115.64 105.02 2jya s THR 20 Ca 0.01 -0.10 -0.24 0.00 -1.18 0.00 0.00 61.69 60.18 2jya s THR 20 Cb 0.09 -4.71 0.02 0.00 1.34 0.00 0.00 72.50 69.23 2jya s THR 20 CO 0.80 -1.64 1.59 0.21 -0.54 0.00 0.00 174.62 175.05 2jya s ASN 21 N 5.30 6.01 0.07 3.99 2.47 -1.26 -4.92 114.94 126.60 2jya s ASN 21 Ca 0.48 -1.03 0.00 0.00 0.42 0.00 0.00 52.86 52.72 2jya s ASN 21 Cb -0.06 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2jya s ASN 21 CO 0.06 -1.94 0.00 1.33 -3.72 0.00 0.00 177.10 172.83 2jya n VAL 22 N 7.13 0.00 -3.10 -5.21 0.24 -1.26 -4.98 118.33 111.15 2jya n VAL 22 Ca 0.31 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.22 2jya n VAL 22 Cb 0.50 -1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 31.74 2jya n VAL 22 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2jya s TRP 23 N 0.93 3.77 -0.12 6.34 0.52 -0.20 -4.43 118.94 125.75 2jya s TRP 23 Ca 0.00 1.39 -0.06 0.00 0.02 0.00 0.00 56.10 57.45 2jya s TRP 23 Cb 0.00 -2.69 -0.04 0.00 -1.15 0.00 0.00 33.47 29.59 2jya s TRP 23 CO 0.00 0.40 0.11 0.08 0.02 0.00 0.00 176.95 177.56 2jya s VAL 24 N -0.49 5.23 -0.32 4.03 1.01 0.57 -0.94 120.40 129.48 2jya s VAL 24 Ca 0.34 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2jya s VAL 24 Cb -0.20 -3.27 0.08 0.00 0.00 0.00 0.00 36.38 32.99 2jya s VAL 24 CO 0.21 0.61 0.02 -0.22 0.00 0.00 0.00 175.10 175.72 2jya s LEU 25 N -0.92 4.34 -0.13 3.92 1.98 -0.43 -1.92 118.68 125.52 2jya s LEU 25 Ca 0.14 -1.77 -0.03 0.00 -2.89 0.00 0.00 54.13 49.58 2jya s LEU 25 Cb -0.12 -1.66 -0.03 0.00 0.66 0.00 0.00 46.19 45.04 2jya s LEU 25 CO 0.03 -0.34 -0.01 -0.70 -1.89 0.00 0.00 176.35 173.45 2jya s GLU 26 N 1.06 3.41 0.01 1.98 2.12 -0.65 -0.90 118.70 125.73 2jya s GLU 26 Ca 0.02 -0.45 -0.02 0.00 0.36 0.00 0.00 54.97 54.88 2jya s GLU 26 Cb -0.20 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2jya s GLU 26 CO -0.05 0.45 0.02 -0.59 -0.54 0.00 0.00 175.26 174.55 2jya s PHE 27 N -0.18 0.19 -0.41 5.30 -0.71 -0.43 -0.43 117.98 121.31 2jya s PHE 27 Ca 0.04 -0.40 -0.28 0.00 -1.04 0.00 0.00 56.93 55.26 2jya s PHE 27 Cb -0.13 -0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 2jya s PHE 27 CO 0.02 -0.22 1.90 -0.51 -1.34 0.00 0.00 175.22 175.07 2jya s ASP 28 N -1.44 5.56 -0.03 1.98 1.01 -1.26 -1.36 116.67 121.14 2jya s ASP 28 Ca -0.16 1.07 -0.30 0.00 0.71 0.00 0.00 52.55 53.88 2jya s ASP 28 Cb -0.09 -2.52 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 2jya s ASP 28 CO -0.00 -2.01 1.95 0.00 0.21 0.00 0.00 175.17 175.31 2jya s ALA 29 N 8.07 3.43 -0.15 5.23 0.00 0.09 -4.87 121.76 133.55 2jya s ALA 29 Ca 0.80 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.89 2jya s ALA 29 Cb -0.20 -3.87 0.11 0.00 0.00 0.00 0.00 23.12 19.16 2jya s ALA 29 CO 0.30 -1.77 1.93 -0.85 0.00 0.00 0.00 175.76 175.37 2jya n GLU 30 N 7.69 1.37 -1.65 0.00 0.28 -1.26 -4.33 120.64 122.74 2jya n GLU 30 Ca 0.21 -0.74 -0.47 0.00 -0.16 0.00 0.00 57.16 56.00 2jya n GLU 30 Cb 0.42 -1.29 -0.04 0.00 1.43 0.00 0.00 31.44 31.96 2jya n GLU 30 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2jya n VAL 31 N 0.88 0.29 -0.15 3.84 3.14 -1.26 -4.99 118.33 120.08 2jya n VAL 31 Ca 0.14 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2jya n VAL 31 Cb 0.56 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 2jya n VAL 31 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2jya n PRO 32 N 2.82 0.10 0.25 1.45 -0.04 -1.26 -4.84 135.00 133.47 2jya n PRO 32 Ca 0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 2jya n PRO 32 Cb 0.28 0.00 0.65 0.00 -0.04 0.00 0.00 33.50 34.39 2jya n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jya h ARG 33 N 0.00 0.00 -5.82 0.54 3.08 -2.01 -3.30 114.38 106.86 2jya h ARG 33 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2jya h ARG 33 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 2jya h ARG 33 CO 0.00 0.13 1.48 0.15 -1.07 0.00 0.00 179.97 180.66 2jya s LYS 34 N -4.47 3.67 0.30 0.04 3.01 -1.26 -5.01 119.74 116.02 2jya s LYS 34 Ca -0.04 -1.42 -0.29 0.00 -1.01 0.00 0.00 55.97 53.21 2jya s LYS 34 Cb 0.15 -5.29 -0.10 0.00 -1.01 0.00 0.00 37.83 31.57 2jya s LYS 34 CO 0.63 -2.12 1.24 0.42 0.51 0.00 0.00 175.35 176.03 2jya s ILE 35 N 4.32 3.00 0.15 2.17 -1.09 -1.25 -4.95 121.20 123.56 2jya s ILE 35 Ca 0.45 0.99 -0.33 0.00 -2.23 0.00 0.00 60.65 59.52 2jya s ILE 35 Cb -0.00 -3.63 -0.17 0.00 -1.58 0.00 0.00 42.46 37.08 2jya s ILE 35 CO -0.07 0.23 1.05 0.47 -1.23 0.00 0.00 174.94 175.39 2jya n ASP 36 N 1.08 0.74 -0.26 3.58 9.92 -1.26 -4.35 116.55 126.00 2jya n ASP 36 Ca 0.00 1.14 0.06 0.00 -0.53 0.00 0.00 54.79 55.47 2jya n ASP 36 Cb 0.43 -1.13 0.18 0.00 -0.64 0.00 0.00 41.12 39.95 2jya n ASP 36 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 2jya h PRO 37 N 2.92 0.12 -0.85 -0.24 0.11 -1.93 0.26 132.00 132.40 2jya h PRO 37 Ca -0.42 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 65.89 2jya h PRO 37 Cb 1.37 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.33 2jya h PRO 37 CO 0.67 0.08 0.30 0.82 -0.21 0.00 0.00 178.00 179.66 2jya h ILE 38 N 0.12 0.46 -0.05 4.15 2.04 -2.02 -2.32 117.51 119.89 2jya h ILE 38 Ca 0.43 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 66.17 2jya h ILE 38 Cb 0.78 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2jya h ILE 38 CO -0.66 0.06 -0.08 1.15 0.00 0.00 0.00 178.15 178.62 2jya n MET 39 N -5.11 1.56 -2.70 2.37 0.00 -0.12 -4.75 117.12 108.37 2jya n MET 39 Ca 0.19 -2.76 -0.07 0.00 0.00 0.00 0.00 57.70 55.07 2jya n MET 39 Cb 0.60 -1.58 0.11 0.00 0.00 0.00 0.00 33.22 32.35 2jya n MET 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jya n GLY 40 N -1.26 1.18 0.22 3.17 0.00 0.72 -3.76 105.19 105.47 2jya n GLY 40 Ca 0.18 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2jya n GLY 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jya h TYR 41 N 2.12 0.86 -4.41 1.61 0.05 -1.74 -3.41 116.97 112.03 2jya h TYR 41 Ca -0.26 -0.34 -0.50 0.00 0.05 0.00 0.00 58.73 57.68 2jya h TYR 41 Cb 1.27 -0.15 0.07 0.00 1.01 0.00 0.00 36.73 38.94 2jya h TYR 41 CO 0.15 1.12 0.41 0.95 -1.05 0.00 0.00 178.16 179.75 2jya s THR 42 N -3.90 4.00 -0.04 -2.88 -4.23 -1.26 -5.03 115.64 102.30 2jya s THR 42 Ca -0.08 0.65 -0.22 0.00 -1.18 0.00 0.00 61.69 60.85 2jya s THR 42 Cb 0.10 -3.62 -0.17 0.00 1.34 0.00 0.00 72.50 70.15 2jya s THR 42 CO 0.87 -0.85 0.97 0.28 -0.54 0.00 0.00 174.62 175.35 2jya h SER 43 N -0.54 -0.18 -0.72 3.99 0.02 -2.02 -3.33 113.55 110.77 2jya h SER 43 Ca -0.45 -0.36 -0.69 0.00 -0.84 0.00 0.00 61.79 59.45 2jya h SER 43 Cb 1.23 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.74 2jya h SER 43 CO 0.63 0.35 2.37 -1.20 -1.14 0.00 0.00 176.83 177.84 2jya n SER 44 N -4.93 4.74 -4.62 3.07 7.64 -1.26 -4.96 113.62 113.29 2jya n SER 44 Ca -0.08 -2.91 -0.24 0.00 1.01 0.00 0.00 58.87 56.65 2jya n SER 44 Cb 0.27 -1.73 0.12 0.00 -1.01 0.00 0.00 64.21 61.86 2jya n SER 44 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jya n SER 45 N 7.84 1.39 -4.76 6.43 3.41 -1.25 -5.09 113.62 121.59 2jya n SER 45 Ca 0.49 -2.17 -0.31 0.00 -0.26 0.00 0.00 58.87 56.62 2jya n SER 45 Cb 0.44 -0.67 0.10 0.00 -0.26 0.00 0.00 64.21 63.83 2jya n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jya s ASP 46 N -5.19 4.37 1.04 4.04 2.15 -1.25 -5.06 116.67 116.78 2jya s ASP 46 Ca 0.68 1.77 -0.04 0.00 0.43 0.00 0.00 52.55 55.40 2jya s ASP 46 Cb -0.04 -2.47 0.05 0.00 -0.30 0.00 0.00 42.92 40.17 2jya s ASP 46 CO 0.45 -2.11 0.21 1.15 -0.17 0.00 0.00 175.17 174.70 2jya n MET 47 N -3.57 -1.20 -2.66 4.34 0.00 -1.26 -4.92 117.12 107.85 2jya n MET 47 Ca 0.09 -0.33 -0.42 0.00 0.00 0.00 0.00 57.70 57.04 2jya n MET 47 Cb 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 33.22 33.44 2jya n MET 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2jya s LYS 48 N -3.46 3.54 0.94 3.17 3.01 -1.26 -5.01 119.74 120.67 2jya s LYS 48 Ca 0.13 -1.19 -0.12 0.00 -1.01 0.00 0.00 55.97 53.78 2jya s LYS 48 Cb -0.01 -5.12 0.16 0.00 -1.01 0.00 0.00 37.83 31.85 2jya s LYS 48 CO 0.10 -2.08 1.09 1.14 0.51 0.00 0.00 175.35 176.10 2jya s GLN 49 N 4.45 0.88 -0.04 1.68 -2.07 -1.26 -4.70 119.66 118.59 2jya s GLN 49 Ca 0.41 0.80 -0.22 0.00 -1.82 0.00 0.00 55.36 54.52 2jya s GLN 49 Cb -0.02 -1.77 -0.04 0.00 -1.09 0.00 0.00 33.01 30.08 2jya s GLN 49 CO -0.07 -2.50 0.65 1.14 -1.32 0.00 0.00 175.29 173.19 2jya s GLN 50 N -4.88 4.40 0.36 9.60 1.03 -1.26 -0.73 119.66 128.17 2jya s GLN 50 Ca 0.64 0.81 0.08 0.00 0.04 0.00 0.00 55.36 56.93 2jya s GLN 50 Cb -0.19 -3.40 -0.04 0.00 0.03 0.00 0.00 33.01 29.41 2jya s GLN 50 CO 0.58 0.20 0.18 0.14 -2.54 0.00 0.00 175.29 173.85 2jya s VAL 51 N 0.36 2.85 0.05 3.63 -7.23 -0.46 -4.83 120.40 114.77 2jya s VAL 51 Ca 0.34 -1.64 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 2jya s VAL 51 Cb -0.18 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.76 2jya s VAL 51 CO 0.17 -0.12 0.13 -1.59 -0.31 0.00 0.00 175.10 173.38 2jya s LYS 52 N -3.89 0.66 0.22 4.82 -2.85 -1.26 -1.32 119.74 116.11 2jya s LYS 52 Ca 0.40 -0.77 0.08 0.00 -1.00 0.00 0.00 55.97 54.68 2jya s LYS 52 Cb -0.01 0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 2jya s LYS 52 CO 0.23 -0.18 -0.15 -0.51 0.10 0.00 0.00 175.35 174.85 2jya s LEU 53 N -2.27 2.56 -0.11 2.77 1.43 -0.08 -4.97 118.68 118.01 2jya s LEU 53 Ca -0.03 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.07 2jya s LEU 53 Cb 0.00 -0.74 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 2jya s LEU 53 CO -0.06 -0.15 -0.22 0.42 0.23 0.00 0.00 176.35 176.58 2jya s THR 54 N -2.90 2.25 0.06 5.49 -4.23 -1.26 -1.31 115.64 113.74 2jya s THR 54 Ca 0.24 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 2jya s THR 54 Cb -0.01 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 2jya s THR 54 CO 0.09 0.55 -0.17 -0.36 -0.54 0.00 0.00 174.62 174.19 2jya s PHE 55 N 0.40 1.45 0.35 3.99 0.08 -0.11 -5.00 117.98 119.13 2jya s PHE 55 Ca -0.16 -0.39 0.10 0.00 0.12 0.00 0.00 56.93 56.59 2jya s PHE 55 Cb -0.17 -0.84 0.64 0.00 -0.57 0.00 0.00 43.02 42.08 2jya s PHE 55 CO 0.07 0.08 1.80 0.93 -0.10 0.00 0.00 175.22 178.01 2jya h GLU 56 N 4.61 0.14 -4.99 0.44 5.08 -1.96 -0.51 114.58 117.39 2jya h GLU 56 Ca -0.41 -0.05 -0.31 0.00 -1.00 0.00 0.00 59.36 57.59 2jya h GLU 56 Cb 1.18 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 2jya h GLU 56 CO 0.42 0.46 -0.71 0.95 -1.00 0.00 0.00 179.01 179.14 2jya s THR 57 N -4.30 1.06 0.23 1.13 -4.23 -1.26 -4.45 115.64 103.83 2jya s THR 57 Ca -0.04 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 58.36 2jya s THR 57 Cb 0.14 -1.86 0.21 0.00 1.34 0.00 0.00 72.50 72.34 2jya s THR 57 CO 0.74 -0.74 1.89 -0.61 -0.54 0.00 0.00 174.62 175.37 2jya h GLN 58 N 2.79 1.20 -0.74 3.99 4.15 -1.96 -3.08 115.11 121.46 2jya h GLN 58 Ca -0.36 -0.09 0.17 0.00 0.77 0.00 0.00 58.65 59.13 2jya h GLN 58 Cb 1.19 -0.26 -0.12 0.00 0.21 0.00 0.00 27.48 28.49 2jya h GLN 58 CO 0.64 0.82 0.05 0.93 -1.93 0.00 0.00 178.83 179.33 2jya h GLU 59 N 1.22 0.14 -0.04 1.69 5.08 -1.98 -0.43 114.58 120.26 2jya h GLU 59 Ca 0.32 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.57 2jya h GLU 59 Cb -0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2jya h GLU 59 CO -0.07 0.09 -0.47 1.96 -1.00 0.00 0.00 179.01 179.52 2jya h GLN 60 N 0.14 0.10 0.06 2.33 4.20 -1.95 -1.75 115.11 118.24 2jya h GLN 60 Ca 0.41 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.86 2jya h GLN 60 Cb 0.71 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.52 2jya h GLN 60 CO -0.61 0.55 -0.84 0.00 -0.67 0.00 0.00 178.83 177.25 2jya h ALA 61 N 1.44 0.02 -0.28 3.87 0.00 -1.25 -2.83 119.26 120.22 2jya h ALA 61 Ca 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 2jya h ALA 61 Cb 0.87 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jya h ALA 61 CO 0.07 0.46 -0.29 1.05 0.00 0.00 0.00 179.25 180.54 2jya h GLU 62 N -0.04 0.69 -0.25 0.00 4.11 -1.15 -2.52 114.58 115.41 2jya h GLU 62 Ca -0.12 -0.37 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 2jya h GLU 62 Cb 1.57 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2jya h GLU 62 CO 0.16 0.98 0.13 0.00 0.07 0.00 0.00 179.01 180.36 2jya h ALA 63 N 0.70 1.76 0.78 1.06 0.00 -1.43 -1.11 119.26 121.03 2jya h ALA 63 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2jya h ALA 63 Cb 0.86 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2jya h ALA 63 CO 0.07 0.21 -0.37 -0.92 0.00 0.00 0.00 179.25 178.23 2jya h TYR 64 N 0.35 -0.97 -0.24 0.00 5.03 -1.37 -2.69 116.97 117.07 2jya h TYR 64 Ca 0.09 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.43 2jya h TYR 64 Cb 0.02 0.32 -0.05 0.00 1.55 0.00 0.00 36.73 38.57 2jya h TYR 64 CO 0.00 -0.60 -0.07 0.00 -1.32 0.00 0.00 178.16 176.16 2jya h ALA 65 N -1.28 0.14 -0.79 1.82 0.00 -1.25 -2.32 119.26 115.57 2jya h ALA 65 Ca -0.11 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2jya h ALA 65 Cb 0.80 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2jya h ALA 65 CO 0.18 -0.49 0.52 1.96 0.00 0.00 0.00 179.25 181.42 2jya h GLN 66 N -0.02 1.01 -0.05 0.00 4.20 -1.32 0.36 115.11 119.28 2jya h GLN 66 Ca 0.12 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2jya h GLN 66 Cb 0.20 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2jya h GLN 66 CO -0.26 0.67 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.40 2jya h ARG 67 N 1.04 0.07 0.00 1.46 2.43 -1.14 -1.27 114.38 116.98 2jya h ARG 67 Ca 0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2jya h ARG 67 Cb -0.08 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2jya h ARG 67 CO -0.08 0.16 -0.77 0.87 -1.51 0.00 0.00 179.97 178.64 2jya h LYS 68 N 0.07 0.00 0.00 0.20 1.79 -0.82 -3.48 116.57 114.33 2jya h LYS 68 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jya h LYS 68 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2jya h LYS 68 CO 0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.79 2jya n GLY 69 N 1.18 0.66 3.59 3.86 0.00 0.33 -5.04 105.19 109.77 2jya n GLY 69 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jya n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jya s ILE 70 N -2.42 3.40 0.40 -0.61 1.01 0.98 -4.90 121.20 119.06 2jya s ILE 70 Ca 0.00 0.39 -0.27 0.00 0.00 0.00 0.00 60.65 60.77 2jya s ILE 70 Cb 0.00 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 2jya s ILE 70 CO 0.00 -0.41 1.47 -1.83 0.00 0.00 0.00 174.94 174.18 2jya s GLU 71 N 5.95 3.99 0.02 2.79 -1.05 -1.24 -3.96 118.70 125.19 2jya s GLU 71 Ca 0.81 2.54 -0.04 0.00 -0.15 0.00 0.00 54.97 58.13 2jya s GLU 71 Cb -0.22 -2.88 -0.01 0.00 -0.44 0.00 0.00 34.13 30.57 2jya s GLU 71 CO 0.32 -0.62 0.05 1.52 0.95 0.00 0.00 175.26 177.49 2jya s TYR 72 N -1.14 0.19 -0.21 4.83 1.13 -1.26 -0.88 117.35 120.01 2jya s TYR 72 Ca 0.55 -0.43 0.02 0.00 -1.41 0.00 0.00 57.07 55.80 2jya s TYR 72 Cb -0.46 -0.15 0.04 0.00 -1.10 0.00 0.00 41.96 40.29 2jya s TYR 72 CO 0.61 -0.27 -0.15 0.50 -2.51 0.00 0.00 175.55 173.73 2jya s ARG 73 N -1.83 2.60 0.06 -3.49 3.00 -0.43 -4.95 118.95 113.90 2jya s ARG 73 Ca -0.12 -1.04 -0.28 0.00 -1.00 0.00 0.00 55.73 53.29 2jya s ARG 73 Cb -0.06 -2.68 -0.05 0.00 0.00 0.00 0.00 34.95 32.16 2jya s ARG 73 CO -0.01 -0.37 0.89 0.08 0.00 0.00 0.00 175.30 175.88 2jya s VAL 74 N 1.22 4.67 -0.06 7.11 1.01 -1.26 -1.52 120.40 131.57 2jya s VAL 74 Ca -0.01 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.90 2jya s VAL 74 Cb -0.16 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2jya s VAL 74 CO -0.09 0.30 -0.18 -0.63 0.00 0.00 0.00 175.10 174.50 2jya s ILE 75 N 0.22 2.73 0.47 2.22 1.09 0.79 -4.94 121.20 123.79 2jya s ILE 75 Ca 0.45 -0.83 -0.22 0.00 -1.10 0.00 0.00 60.65 58.95 2jya s ILE 75 Cb -0.22 -2.06 -0.07 0.00 -1.06 0.00 0.00 42.46 39.05 2jya s ILE 75 CO 0.27 0.57 1.12 -0.76 -0.10 0.00 0.00 174.94 176.04 2jya s LEU 76 N -0.37 3.95 1.06 2.97 1.43 -1.26 -4.30 118.68 122.16 2jya s LEU 76 Ca 0.03 2.18 -0.16 0.00 -1.03 0.00 0.00 54.13 55.15 2jya s LEU 76 Cb -0.12 -4.35 0.22 0.00 0.03 0.00 0.00 46.19 41.97 2jya s LEU 76 CO 0.02 -0.90 1.16 -2.16 0.23 0.00 0.00 176.35 174.71 2jya s PRO 77 N -2.87 -0.07 0.44 1.29 0.04 -1.26 -4.72 135.00 127.86 2jya s PRO 77 Ca 0.65 0.00 0.25 0.00 0.04 0.00 0.00 61.00 61.94 2jya s PRO 77 Cb -0.25 -1.72 0.77 0.00 0.04 0.00 0.00 34.50 33.34 2jya s PRO 77 CO 0.30 -2.96 1.76 1.57 0.04 0.00 0.00 177.00 177.71 2jya h LYS 78 N -2.04 0.00 -0.35 4.56 5.09 -1.84 -3.22 116.57 118.77 2jya h LYS 78 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 2jya h LYS 78 Cb 1.29 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.62 2jya h LYS 78 CO 0.44 0.17 0.00 -0.85 -2.09 0.00 0.00 179.45 177.12 2jya n GLU 79 N -3.23 2.28 0.00 0.07 0.28 -1.26 -5.15 120.64 113.63 2jya n GLU 79 Ca 0.01 -1.94 0.06 0.00 -0.16 0.00 0.00 57.16 55.13 2jya n GLU 79 Cb 0.47 -1.47 0.36 0.00 1.43 0.00 0.00 31.44 32.23 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97