#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 2.60 -0.12 7.83 1.04 -1.26 -3.57 113.70 120.22 2jya s SER 2 Ca 0.00 -0.47 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 2jya s SER 2 Cb 0.00 -1.18 -0.04 0.00 0.10 0.00 0.00 66.02 64.90 2jya s SER 2 CO 0.00 0.06 0.12 0.00 0.98 0.00 0.00 173.24 174.40 2jya s ALA 3 N 0.79 3.79 -0.18 5.32 0.00 -0.30 -3.70 121.76 127.48 2jya s ALA 3 Ca -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2jya s ALA 3 Cb -0.16 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 2jya s ALA 3 CO 0.01 0.58 0.01 -1.59 0.00 0.00 0.00 175.76 174.77 2jya s LYS 4 N -0.91 3.72 -0.22 0.00 -2.85 0.26 -1.06 119.74 118.68 2jya s LYS 4 Ca 0.14 -0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 54.57 2jya s LYS 4 Cb -0.12 -3.07 -0.03 0.00 -2.06 0.00 0.00 37.83 32.55 2jya s LYS 4 CO 0.03 0.14 0.04 0.42 0.10 0.00 0.00 175.35 176.08 2jya s ILE 5 N 0.68 4.18 0.32 3.79 1.01 -0.41 -1.94 121.20 128.83 2jya s ILE 5 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 2jya s ILE 5 Cb -0.14 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 2jya s ILE 5 CO 0.02 0.39 0.43 -0.72 0.00 0.00 0.00 174.94 175.06 2jya s TYR 6 N 1.23 1.03 -0.32 3.97 1.13 -0.93 -1.01 117.35 122.45 2jya s TYR 6 Ca 0.04 -1.25 -0.02 0.00 -1.41 0.00 0.00 57.07 54.43 2jya s TYR 6 Cb -0.15 -0.14 0.12 0.00 -1.10 0.00 0.00 41.96 40.70 2jya s TYR 6 CO 0.02 -1.05 0.20 0.50 -2.51 0.00 0.00 175.55 172.71 2jya s ARG 7 N -3.32 0.35 1.07 -3.49 3.52 -1.26 -0.17 118.95 115.65 2jya s ARG 7 Ca 0.31 -0.76 -0.18 0.00 -0.13 0.00 0.00 55.73 54.97 2jya s ARG 7 Cb 0.00 -1.11 0.26 0.00 -1.56 0.00 0.00 34.95 32.55 2jya s ARG 7 CO 0.19 -1.10 1.14 -0.35 -0.81 0.00 0.00 175.30 174.36 2jya n PRO 8 N 4.79 -2.26 -0.07 5.12 -0.04 -1.26 -4.27 135.00 137.00 2jya n PRO 8 Ca 0.02 -1.79 0.12 0.00 -0.04 0.00 0.00 63.50 61.81 2jya n PRO 8 Cb 0.41 -1.45 0.34 0.00 -0.04 0.00 0.00 33.50 32.77 2jya n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jya n ALA 9 N -4.36 2.51 -2.72 0.55 0.00 -1.26 -4.68 120.51 110.54 2jya n ALA 9 Ca -0.20 -0.62 -0.10 0.00 0.00 0.00 0.00 53.44 52.53 2jya n ALA 9 Cb 0.55 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 2jya n ALA 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2jya s LYS 10 N -1.81 0.80 0.08 0.00 -2.85 -1.26 -4.99 119.74 109.70 2jya s LYS 10 Ca 0.34 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.52 2jya s LYS 10 Cb 0.20 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 2jya s LYS 10 CO 0.29 -0.25 0.00 0.25 0.10 0.00 0.00 175.35 175.75 2jya n THR 11 N 0.25 0.00 0.09 3.79 -2.24 -1.26 -4.98 114.28 109.94 2jya n THR 11 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2jya n THR 11 Cb 0.61 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jya n ALA 12 N -2.74 0.00 -2.61 6.98 0.00 -1.26 -5.14 120.51 115.75 2jya n ALA 12 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2jya n ALA 12 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2jya n ALA 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jya s MET 13 N -1.42 1.10 -0.95 0.00 -1.94 -1.26 -5.09 119.30 109.74 2jya s MET 13 Ca 0.00 -1.21 -0.24 0.00 -1.71 0.00 0.00 55.69 52.53 2jya s MET 13 Cb 0.00 0.35 -0.03 0.00 2.01 0.00 0.00 34.83 37.16 2jya s MET 13 CO 0.00 -0.38 1.86 -1.14 -0.01 0.00 0.00 175.02 175.35 2jya s GLN 14 N -3.97 2.74 -0.27 2.03 0.74 -1.26 -4.86 119.66 114.81 2jya s GLN 14 Ca 0.18 -0.53 -0.22 0.00 0.05 0.00 0.00 55.36 54.83 2jya s GLN 14 Cb 0.04 -5.14 0.08 0.00 1.10 0.00 0.00 33.01 29.09 2jya s GLN 14 CO -0.00 -3.22 0.74 0.45 -0.55 0.00 0.00 175.29 172.70 2jya s SER 15 N 7.33 -0.78 -1.16 6.67 0.15 -1.26 -4.93 113.70 119.72 2jya s SER 15 Ca 0.66 1.42 -0.01 0.00 0.70 0.00 0.00 55.95 58.72 2jya s SER 15 Cb -0.05 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 2jya s SER 15 CO -0.01 -0.24 0.11 0.61 1.20 0.00 0.00 173.24 174.91 2jya n GLY 16 N 3.15 -0.19 3.28 9.45 0.00 -1.26 -5.03 105.19 114.59 2jya n GLY 16 Ca -0.16 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.77 1.85 0.23 2.61 -4.23 -1.26 -4.97 115.64 107.10 2jya s THR 17 Ca 0.05 -1.12 -0.07 0.00 -1.18 0.00 0.00 61.69 59.37 2jya s THR 17 Cb -0.02 -1.56 0.21 0.00 1.34 0.00 0.00 72.50 72.47 2jya s THR 17 CO 0.07 0.40 1.88 0.00 -0.54 0.00 0.00 174.62 176.43 2jya h ALA 18 N 5.22 1.15 -1.95 3.99 0.00 -1.87 -3.44 119.26 122.36 2jya h ALA 18 Ca -0.42 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.43 2jya h ALA 18 Cb 1.14 -0.36 -0.21 0.00 0.00 0.00 0.00 17.79 18.35 2jya h ALA 18 CO 0.46 0.60 0.02 0.21 0.00 0.00 0.00 179.25 180.54 2jya s LYS 19 N -5.99 0.66 0.59 0.00 2.20 -1.26 -5.07 119.74 110.86 2jya s LYS 19 Ca -0.13 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 2jya s LYS 19 Cb 0.17 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 2jya s LYS 19 CO 0.81 -0.15 0.00 0.25 -0.36 0.00 0.00 175.35 175.90 2jya n THR 20 N 4.48 0.00 -4.34 3.43 -2.24 -1.26 -4.39 114.28 109.95 2jya n THR 20 Ca -0.18 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 2jya n THR 20 Cb 0.57 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.69 2jya n THR 20 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2jya s ASN 21 N -4.00 2.78 0.65 3.42 0.01 -1.26 -4.57 114.94 111.97 2jya s ASN 21 Ca 0.00 -0.85 -0.04 0.00 -0.71 0.00 0.00 52.86 51.26 2jya s ASN 21 Cb 0.00 -0.17 0.06 0.00 0.41 0.00 0.00 41.25 41.55 2jya s ASN 21 CO 0.00 -0.01 0.93 0.68 -1.51 0.00 0.00 177.10 177.20 2jya s VAL 22 N -1.92 2.40 -0.20 1.60 -7.23 -1.26 -4.81 120.40 108.98 2jya s VAL 22 Ca 0.16 -0.42 -0.25 0.00 -1.81 0.00 0.00 61.98 59.65 2jya s VAL 22 Cb -0.06 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.89 2jya s VAL 22 CO 0.07 0.00 0.85 0.26 -0.31 0.00 0.00 175.10 175.97 2jya s TRP 23 N -3.08 3.38 -0.13 2.82 0.52 -0.03 -4.26 118.94 118.16 2jya s TRP 23 Ca 0.60 1.25 -0.07 0.00 0.02 0.00 0.00 56.10 57.89 2jya s TRP 23 Cb -0.10 -3.05 -0.04 0.00 -1.15 0.00 0.00 33.47 29.12 2jya s TRP 23 CO 0.43 -0.31 0.12 0.08 0.02 0.00 0.00 176.95 177.28 2jya s VAL 24 N 2.46 5.34 -0.32 4.03 1.01 0.76 -1.15 120.40 132.52 2jya s VAL 24 Ca 0.38 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.52 2jya s VAL 24 Cb -0.16 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.97 2jya s VAL 24 CO 0.10 0.60 0.02 -0.22 0.00 0.00 0.00 175.10 175.60 2jya s LEU 25 N -0.84 4.30 -0.11 3.92 2.96 -0.16 -2.18 118.68 126.57 2jya s LEU 25 Ca 0.14 -1.72 0.02 0.00 -0.22 0.00 0.00 54.13 52.35 2jya s LEU 25 Cb -0.12 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 2jya s LEU 25 CO 0.03 -0.33 -0.19 -0.70 -1.32 0.00 0.00 176.35 173.84 2jya s GLU 26 N 1.08 3.20 0.05 1.98 2.12 -0.82 -0.96 118.70 125.35 2jya s GLU 26 Ca 0.01 -0.79 -0.06 0.00 0.36 0.00 0.00 54.97 54.50 2jya s GLU 26 Cb -0.20 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 2jya s GLU 26 CO -0.05 0.20 0.10 -0.59 -0.54 0.00 0.00 175.26 174.39 2jya s PHE 27 N 0.32 0.24 -0.35 5.30 -0.71 -0.88 -0.58 117.98 121.33 2jya s PHE 27 Ca -0.15 -0.61 -0.27 0.00 -1.04 0.00 0.00 56.93 54.86 2jya s PHE 27 Cb -0.17 -0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.43 2jya s PHE 27 CO 0.07 -0.41 2.25 0.34 -1.34 0.00 0.00 175.22 176.13 2jya s ASP 28 N -2.43 5.07 0.03 1.98 2.15 -1.24 -2.64 116.67 119.59 2jya s ASP 28 Ca -0.01 1.46 -0.34 0.00 0.43 0.00 0.00 52.55 54.10 2jya s ASP 28 Cb 0.02 -2.51 -0.13 0.00 -0.30 0.00 0.00 42.92 40.00 2jya s ASP 28 CO -0.07 -2.33 1.73 0.00 -0.17 0.00 0.00 175.17 174.34 2jya n ALA 29 N 13.31 1.05 0.27 3.66 0.00 -0.42 -4.74 120.51 133.64 2jya n ALA 29 Ca 0.32 0.36 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 2jya n ALA 29 Cb 0.49 -2.42 0.07 0.00 0.00 0.00 0.00 19.45 17.59 2jya n ALA 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jya n GLU 30 N 5.09 1.50 -4.16 0.00 0.28 -1.26 -4.59 120.64 117.49 2jya n GLU 30 Ca 0.20 -1.00 -0.26 0.00 -0.16 0.00 0.00 57.16 55.94 2jya n GLU 30 Cb 0.29 -1.42 -0.17 0.00 1.43 0.00 0.00 31.44 31.57 2jya n GLU 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jya s VAL 31 N -1.14 1.12 0.00 3.84 0.11 -1.26 -5.13 120.40 117.94 2jya s VAL 31 Ca 0.19 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2jya s VAL 31 Cb 0.16 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2jya s VAL 31 CO 0.04 0.37 0.00 -0.81 -3.33 0.00 0.00 175.10 171.37 2jya n PRO 32 N 4.53 3.40 0.03 1.54 -0.04 -1.25 -4.38 135.00 138.83 2jya n PRO 32 Ca -0.17 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.48 2jya n PRO 32 Cb 0.51 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.64 2jya n PRO 32 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2jya h ARG 33 N 0.00 0.02 -6.05 0.54 -0.00 -1.82 -3.38 114.38 103.68 2jya h ARG 33 Ca 0.00 -0.00 -0.54 0.00 -0.00 0.00 0.00 59.98 59.44 2jya h ARG 33 Cb 0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 29.88 2jya h ARG 33 CO 0.00 0.01 1.33 0.21 -0.00 0.00 0.00 179.97 181.52 2jya s LYS 34 N -5.04 3.36 0.13 0.08 2.47 -1.26 -4.97 119.74 114.51 2jya s LYS 34 Ca -0.05 -0.88 0.01 0.00 -1.56 0.00 0.00 55.97 53.49 2jya s LYS 34 Cb 0.19 -5.21 -0.04 0.00 -1.46 0.00 0.00 37.83 31.31 2jya s LYS 34 CO 0.72 -2.43 0.29 0.96 0.16 0.00 0.00 175.35 175.05 2jya s ILE 35 N 6.04 5.31 0.38 5.43 -5.25 -1.26 -4.91 121.20 126.94 2jya s ILE 35 Ca 0.50 -0.52 -0.25 0.00 -0.99 0.00 0.00 60.65 59.40 2jya s ILE 35 Cb -0.02 -3.71 -0.09 0.00 2.95 0.00 0.00 42.46 41.59 2jya s ILE 35 CO -0.06 -0.04 1.03 -1.81 -1.79 0.00 0.00 174.94 172.27 2jya s ASP 36 N -3.00 6.90 0.00 4.36 1.01 -1.26 -4.94 116.67 119.74 2jya s ASP 36 Ca 0.36 2.00 0.13 0.00 0.71 0.00 0.00 52.55 55.74 2jya s ASP 36 Cb -0.12 -2.58 0.65 0.00 1.01 0.00 0.00 42.92 41.88 2jya s ASP 36 CO 0.28 -0.39 1.33 -0.81 0.21 0.00 0.00 175.17 175.79 2jya n PRO 37 N 0.09 0.18 0.00 8.23 -0.04 -1.26 -2.29 135.00 139.91 2jya n PRO 37 Ca 0.04 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2jya n PRO 37 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2jya n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2jya n ILE 38 N -1.29 0.00 0.00 0.52 2.08 -1.26 -4.80 119.36 114.61 2jya n ILE 38 Ca 0.06 1.04 0.00 0.00 0.56 0.00 0.00 62.75 64.41 2jya n ILE 38 Cb 0.10 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.06 2jya n ILE 38 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 2jya n MET 39 N -1.23 0.00 -1.84 0.38 2.81 -1.23 -5.00 117.12 111.01 2jya n MET 39 Ca 0.00 0.11 -0.17 0.00 -1.81 0.00 0.00 57.70 55.83 2jya n MET 39 Cb 0.00 -0.55 -0.05 0.00 -0.71 0.00 0.00 33.22 31.91 2jya n MET 39 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jya n GLY 40 N 1.79 0.88 1.12 3.03 0.00 -0.97 -4.88 105.19 106.16 2jya n GLY 40 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.93 2jya n GLY 40 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jya n TYR 41 N -3.11 0.85 -1.57 1.61 4.11 -1.26 -4.58 117.16 113.21 2jya n TYR 41 Ca -0.19 -0.40 -0.40 0.00 -0.00 0.00 0.00 57.90 56.91 2jya n TYR 41 Cb 0.60 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.34 39.89 2jya n TYR 41 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2jya n THR 42 N 1.15 4.44 0.62 -3.48 -1.04 -1.26 -4.59 114.28 110.12 2jya n THR 42 Ca 0.20 -3.13 0.11 0.00 -2.04 0.00 0.00 64.05 59.19 2jya n THR 42 Cb 0.53 -2.48 0.45 0.00 -1.82 0.00 0.00 70.33 67.02 2jya n THR 42 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jya n SER 43 N 3.46 0.35 -0.21 8.00 7.64 -1.26 -3.39 113.62 128.21 2jya n SER 43 Ca 0.70 0.56 -0.01 0.00 1.01 0.00 0.00 58.87 61.13 2jya n SER 43 Cb 0.26 -0.64 0.10 0.00 -1.01 0.00 0.00 64.21 62.92 2jya n SER 43 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2jya h SER 44 N 0.00 0.40 -0.20 6.43 4.64 -1.97 -3.46 113.55 119.38 2jya h SER 44 Ca 0.00 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 2jya h SER 44 Cb 0.45 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 2jya h SER 44 CO 0.00 0.25 -0.08 -0.24 -0.87 0.00 0.00 176.83 175.89 2jya n SER 45 N -4.88 -5.38 -4.30 4.97 2.88 -1.22 -4.91 113.62 100.77 2jya n SER 45 Ca 0.08 0.11 -0.44 0.00 -1.33 0.00 0.00 58.87 57.29 2jya n SER 45 Cb 0.22 -3.26 0.00 0.00 -0.75 0.00 0.00 64.21 60.42 2jya n SER 45 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jya n ASP 46 N -0.82 5.34 0.00 -3.46 2.03 -1.26 -4.50 116.55 113.88 2jya n ASP 46 Ca -0.04 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.23 2jya n ASP 46 Cb 0.45 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 2jya n ASP 46 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2jya n MET 47 N 4.48 0.00 -3.59 -0.67 2.81 -1.26 -4.40 117.12 114.49 2jya n MET 47 Ca 0.34 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.11 2jya n MET 47 Cb 0.40 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.85 2jya n MET 47 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2jya s LYS 48 N 0.00 0.70 0.00 0.03 0.00 -1.26 -3.83 119.74 115.38 2jya s LYS 48 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 55.97 56.41 2jya s LYS 48 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 37.83 38.16 2jya s LYS 48 CO 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 175.35 175.19 2jya n GLN 49 N 1.54 3.65 -3.93 1.78 10.64 -1.26 -4.94 117.38 124.85 2jya n GLN 49 Ca -0.13 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.73 2jya n GLN 49 Cb 0.57 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.80 2jya n GLN 49 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2jya s GLN 50 N 3.60 1.27 0.65 2.61 -0.21 -1.26 -1.30 119.66 125.01 2jya s GLN 50 Ca 0.00 -1.60 -0.09 0.00 0.02 0.00 0.00 55.36 53.69 2jya s GLN 50 Cb 0.00 -2.82 0.01 0.00 1.00 0.00 0.00 33.01 31.20 2jya s GLN 50 CO 0.00 -0.94 1.01 0.14 -2.12 0.00 0.00 175.29 173.38 2jya s VAL 51 N 1.13 3.71 -0.06 1.09 -7.23 -1.08 -4.81 120.40 113.15 2jya s VAL 51 Ca 0.10 0.33 -0.08 0.00 -1.81 0.00 0.00 61.98 60.52 2jya s VAL 51 Cb -0.18 -3.52 0.02 0.00 0.56 0.00 0.00 36.38 33.25 2jya s VAL 51 CO -0.13 -0.62 0.21 -1.59 -0.31 0.00 0.00 175.10 172.66 2jya s LYS 52 N -5.19 0.34 0.25 4.82 -2.85 -1.26 -2.07 119.74 113.78 2jya s LYS 52 Ca 0.56 0.12 0.11 0.00 -1.00 0.00 0.00 55.97 55.76 2jya s LYS 52 Cb -0.11 0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.77 2jya s LYS 52 CO 0.49 -0.06 -0.12 -0.51 0.10 0.00 0.00 175.35 175.25 2jya s LEU 53 N -0.31 2.84 -0.06 2.77 1.02 -0.14 -4.95 118.68 119.85 2jya s LEU 53 Ca -0.04 -0.81 0.05 0.00 0.02 0.00 0.00 54.13 53.34 2jya s LEU 53 Cb -0.03 -1.40 -0.00 0.00 0.02 0.00 0.00 46.19 44.77 2jya s LEU 53 CO 0.01 0.04 -0.21 0.42 0.02 0.00 0.00 176.35 176.63 2jya s THR 54 N -2.24 1.76 0.06 5.49 -4.23 -1.26 -0.99 115.64 114.23 2jya s THR 54 Ca 0.29 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 2jya s THR 54 Cb -0.06 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 2jya s THR 54 CO 0.16 0.49 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.29 2jya s PHE 55 N 0.07 0.82 0.40 3.99 0.08 -0.30 -5.00 117.98 118.04 2jya s PHE 55 Ca -0.07 -0.62 0.09 0.00 0.12 0.00 0.00 56.93 56.45 2jya s PHE 55 Cb -0.14 -0.47 0.84 0.00 -0.57 0.00 0.00 43.02 42.68 2jya s PHE 55 CO 0.04 -0.08 1.97 0.93 -0.10 0.00 0.00 175.22 177.98 2jya h GLU 56 N 4.00 0.29 -4.71 0.44 4.39 -1.96 -0.05 114.58 116.98 2jya h GLU 56 Ca -0.36 -0.05 -0.25 0.00 0.34 0.00 0.00 59.36 59.04 2jya h GLU 56 Cb 1.19 -0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 29.64 2jya h GLU 56 CO 0.48 0.34 -0.68 0.95 -1.16 0.00 0.00 179.01 178.94 2jya s THR 57 N -4.95 0.67 0.23 1.13 -4.23 -1.26 -4.47 115.64 102.76 2jya s THR 57 Ca -0.06 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.42 2jya s THR 57 Cb 0.16 -1.89 0.20 0.00 1.34 0.00 0.00 72.50 72.31 2jya s THR 57 CO 0.73 -0.68 1.87 -0.61 -0.54 0.00 0.00 174.62 175.38 2jya h GLN 58 N 2.84 0.99 -0.64 3.99 4.15 -1.92 -3.17 115.11 121.35 2jya h GLN 58 Ca -0.36 -0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.14 2jya h GLN 58 Cb 1.18 -0.22 -0.11 0.00 0.21 0.00 0.00 27.48 28.54 2jya h GLN 58 CO 0.64 0.66 0.04 0.93 -1.93 0.00 0.00 178.83 179.16 2jya h GLU 59 N 1.02 0.14 -0.03 1.69 5.08 -1.99 -0.73 114.58 119.77 2jya h GLU 59 Ca 0.34 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 2jya h GLU 59 Cb 0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2jya h GLU 59 CO -0.12 0.09 -0.46 1.96 -1.00 0.00 0.00 179.01 179.48 2jya h GLN 60 N 0.15 0.07 -0.01 2.33 4.20 -1.97 -1.48 115.11 118.39 2jya h GLN 60 Ca 0.34 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.82 2jya h GLN 60 Cb 0.56 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.35 2jya h GLN 60 CO -0.52 0.52 -0.76 0.00 -0.67 0.00 0.00 178.83 177.39 2jya h ALA 61 N 1.48 0.11 -0.22 3.87 0.00 -1.29 -2.75 119.26 120.46 2jya h ALA 61 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.10 2jya h ALA 61 Cb 0.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jya h ALA 61 CO 0.06 0.49 -0.64 1.05 0.00 0.00 0.00 179.25 180.21 2jya h GLU 62 N 0.12 0.79 -0.28 0.00 4.11 -1.19 -2.42 114.58 115.71 2jya h GLU 62 Ca -0.09 -0.56 -0.03 0.00 0.07 0.00 0.00 59.36 58.75 2jya h GLU 62 Cb 1.44 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 2jya h GLU 62 CO 0.15 1.18 0.04 0.00 0.07 0.00 0.00 179.01 180.45 2jya h ALA 63 N 0.68 1.54 0.47 1.06 0.00 -1.36 -0.34 119.26 121.31 2jya h ALA 63 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jya h ALA 63 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jya h ALA 63 CO 0.13 0.34 -0.22 -0.92 0.00 0.00 0.00 179.25 178.58 2jya h TYR 64 N 0.41 -0.58 -0.42 0.00 3.20 -1.40 -2.33 116.97 115.84 2jya h TYR 64 Ca 0.10 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.03 2jya h TYR 64 Cb 0.21 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 2jya h TYR 64 CO 0.01 -0.26 0.01 0.00 -1.64 0.00 0.00 178.16 176.28 2jya h ALA 65 N -0.59 0.40 -0.68 1.82 0.00 -1.30 -2.18 119.26 116.73 2jya h ALA 65 Ca -0.06 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2jya h ALA 65 Cb 0.58 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2jya h ALA 65 CO 0.10 -0.38 0.16 1.96 0.00 0.00 0.00 179.25 181.09 2jya h GLN 66 N 0.12 1.10 -0.73 0.00 4.20 -1.15 0.42 115.11 119.07 2jya h GLN 66 Ca 0.21 -0.27 0.10 0.00 0.06 0.00 0.00 58.65 58.75 2jya h GLN 66 Cb 0.30 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 2jya h GLN 66 CO -0.34 0.98 0.48 -0.09 -0.67 0.00 0.00 178.83 179.19 2jya h ARG 67 N 1.03 0.59 0.00 1.46 2.43 -1.12 -1.89 114.38 116.88 2jya h ARG 67 Ca 0.21 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2jya h ARG 67 Cb 0.38 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2jya h ARG 67 CO 0.00 0.39 -0.83 0.87 -1.51 0.00 0.00 179.97 178.89 2jya h LYS 68 N 0.61 0.00 0.00 0.20 1.79 -0.72 -3.48 116.57 114.97 2jya h LYS 68 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 2jya h LYS 68 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2jya h LYS 68 CO -0.12 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 178.88 2jya n GLY 69 N 1.25 0.65 3.59 3.86 0.00 0.44 -5.03 105.19 109.94 2jya n GLY 69 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.52 3.30 0.33 -0.61 1.01 0.12 -4.91 121.20 117.92 2jya s ILE 70 Ca 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.66 2jya s ILE 70 Cb 0.00 -3.45 -0.13 0.00 0.01 0.00 0.00 42.46 38.89 2jya s ILE 70 CO 0.00 -0.32 1.27 -1.84 0.00 0.00 0.00 174.94 174.05 2jya n GLU 71 N 8.63 2.05 -4.08 2.79 0.28 -1.23 -3.95 120.64 125.13 2jya n GLU 71 Ca 0.26 0.72 -0.14 0.00 -0.16 0.00 0.00 57.16 57.84 2jya n GLU 71 Cb 0.47 -2.28 -0.13 0.00 1.43 0.00 0.00 31.44 30.94 2jya n GLU 71 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2jya s TYR 72 N -1.04 0.52 -0.11 -1.84 1.13 -1.26 -1.15 117.35 113.60 2jya s TYR 72 Ca 0.56 -0.32 0.03 0.00 -1.41 0.00 0.00 57.07 55.94 2jya s TYR 72 Cb -0.59 -0.32 -0.00 0.00 -1.10 0.00 0.00 41.96 39.95 2jya s TYR 72 CO 0.61 -0.06 -0.21 0.50 -2.51 0.00 0.00 175.55 173.89 2jya s ARG 73 N -0.92 3.15 -0.17 -3.49 6.06 -0.22 -4.95 118.95 118.41 2jya s ARG 73 Ca -0.05 -0.82 -0.08 0.00 -2.50 0.00 0.00 55.73 52.28 2jya s ARG 73 Cb -0.06 -2.40 -0.04 0.00 0.06 0.00 0.00 34.95 32.50 2jya s ARG 73 CO 0.00 0.19 0.09 0.08 -2.50 0.00 0.00 175.30 173.16 2jya s VAL 74 N 0.34 5.03 -0.19 7.11 1.01 -1.26 -1.29 120.40 131.15 2jya s VAL 74 Ca -0.17 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 2jya s VAL 74 Cb -0.17 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 2jya s VAL 74 CO 0.08 0.50 -0.11 -0.63 0.00 0.00 0.00 175.10 174.94 2jya s ILE 75 N 0.02 2.88 0.31 2.22 1.09 -0.18 -4.96 121.20 122.59 2jya s ILE 75 Ca 0.07 -0.67 -0.29 0.00 -1.10 0.00 0.00 60.65 58.66 2jya s ILE 75 Cb -0.12 -2.27 -0.11 0.00 -1.06 0.00 0.00 42.46 38.91 2jya s ILE 75 CO 0.00 0.48 1.50 -0.76 -0.10 0.00 0.00 174.94 176.06 2jya s LEU 76 N 1.22 4.35 0.96 2.97 1.43 -1.26 -4.37 118.68 123.98 2jya s LEU 76 Ca 0.02 2.90 -0.15 0.00 -1.03 0.00 0.00 54.13 55.87 2jya s LEU 76 Cb -0.14 -3.64 0.21 0.00 0.03 0.00 0.00 46.19 42.64 2jya s LEU 76 CO -0.05 -0.82 1.31 -2.16 0.23 0.00 0.00 176.35 174.86 2jya s PRO 77 N -1.10 0.57 0.60 1.29 0.04 -1.26 -4.92 135.00 130.22 2jya s PRO 77 Ca 0.58 -0.57 0.35 0.00 0.04 0.00 0.00 61.00 61.40 2jya s PRO 77 Cb -0.45 -1.89 1.92 0.00 0.04 0.00 0.00 34.50 34.12 2jya s PRO 77 CO 0.52 -2.43 2.23 1.57 0.04 0.00 0.00 177.00 178.93 2jya h LYS 78 N -1.60 0.00 -1.65 4.56 5.09 -1.92 -2.60 116.57 118.45 2jya h LYS 78 Ca -0.43 0.00 -0.52 0.00 0.09 0.00 0.00 60.65 59.79 2jya h LYS 78 Cb 1.22 0.00 -0.41 0.00 0.10 0.00 0.00 32.23 33.14 2jya h LYS 78 CO 0.34 0.03 -0.88 -0.85 -2.09 0.00 0.00 179.45 176.01 2jya n GLU 79 N -3.43 2.55 0.00 0.07 0.28 -1.26 -5.20 120.64 113.65 2jya n GLU 79 Ca -0.02 -4.16 0.01 0.00 -0.16 0.00 0.00 57.16 52.82 2jya n GLU 79 Cb 0.14 -1.95 0.03 0.00 1.43 0.00 0.00 31.44 31.10 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97