#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 3.13 -0.14 7.83 1.04 -1.26 -3.88 113.70 120.41 2jya s SER 2 Ca 0.00 -1.01 -0.07 0.00 0.48 0.00 0.00 55.95 55.35 2jya s SER 2 Cb 0.00 -0.56 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 2jya s SER 2 CO 0.00 -0.35 0.12 0.00 0.98 0.00 0.00 173.24 173.99 2jya s ALA 3 N 1.89 3.77 -0.13 5.32 0.00 -0.48 -2.75 121.76 129.38 2jya s ALA 3 Ca 0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2jya s ALA 3 Cb -0.17 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 2jya s ALA 3 CO -0.15 0.49 -0.05 -1.59 0.00 0.00 0.00 175.76 174.45 2jya s LYS 4 N -0.62 3.45 -0.19 0.00 -2.85 0.15 -1.12 119.74 118.56 2jya s LYS 4 Ca 0.13 -0.54 -0.03 0.00 -1.00 0.00 0.00 55.97 54.53 2jya s LYS 4 Cb -0.12 -2.82 -0.01 0.00 -2.06 0.00 0.00 37.83 32.83 2jya s LYS 4 CO 0.02 0.33 -0.07 0.42 0.10 0.00 0.00 175.35 176.15 2jya s ILE 5 N 0.10 3.28 0.31 3.79 1.01 -0.81 -1.83 121.20 127.06 2jya s ILE 5 Ca -0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 2jya s ILE 5 Cb -0.14 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2jya s ILE 5 CO 0.03 0.47 0.50 -0.72 0.00 0.00 0.00 174.94 175.22 2jya s TYR 6 N 1.02 0.72 -0.32 3.97 1.13 -0.96 -0.59 117.35 122.31 2jya s TYR 6 Ca -0.00 -1.04 -0.02 0.00 -1.41 0.00 0.00 57.07 54.60 2jya s TYR 6 Cb -0.15 0.10 0.11 0.00 -1.10 0.00 0.00 41.96 40.93 2jya s TYR 6 CO -0.01 -1.12 0.15 0.50 -2.51 0.00 0.00 175.55 172.56 2jya s ARG 7 N -3.33 0.51 0.79 -3.49 3.52 -1.26 -0.37 118.95 115.31 2jya s ARG 7 Ca 0.26 -0.97 -0.12 0.00 -0.13 0.00 0.00 55.73 54.77 2jya s ARG 7 Cb -0.01 -1.53 0.07 0.00 -1.56 0.00 0.00 34.95 31.92 2jya s ARG 7 CO 0.15 -1.06 1.14 -1.25 -0.81 0.00 0.00 175.30 173.47 2jya s PRO 8 N 1.61 2.14 0.19 5.12 0.04 -1.26 -3.72 135.00 139.11 2jya s PRO 8 Ca 0.12 0.31 -0.03 0.00 0.04 0.00 0.00 61.00 61.43 2jya s PRO 8 Cb -0.18 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.51 2jya s PRO 8 CO -0.23 -1.51 1.51 0.00 0.04 0.00 0.00 177.00 176.81 2jya h ALA 9 N -1.00 0.70 -3.07 8.56 0.00 -1.97 -3.41 119.26 119.06 2jya h ALA 9 Ca -0.46 -0.51 -0.67 0.00 0.00 0.00 0.00 54.91 53.27 2jya h ALA 9 Cb 1.30 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 18.69 2jya h ALA 9 CO 0.64 0.69 -0.81 -1.59 0.00 0.00 0.00 179.25 178.18 2jya s LYS 10 N -4.01 3.15 -0.14 0.00 0.00 -1.26 -4.94 119.74 112.54 2jya s LYS 10 Ca -0.07 -0.75 0.01 0.00 0.00 0.00 0.00 55.97 55.16 2jya s LYS 10 Cb 0.11 -2.71 0.02 0.00 0.00 0.00 0.00 37.83 35.25 2jya s LYS 10 CO 0.84 -0.15 -0.17 0.99 0.00 0.00 0.00 175.35 176.86 2jya s THR 11 N 1.23 1.73 0.42 3.79 2.01 -1.26 -5.12 115.64 118.44 2jya s THR 11 Ca 0.03 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.04 2jya s THR 11 Cb -0.14 -1.58 -0.10 0.00 0.01 0.00 0.00 72.50 70.69 2jya s THR 11 CO -0.07 0.49 0.96 0.00 -0.69 0.00 0.00 174.62 175.31 2jya s ALA 12 N 1.13 3.05 -0.24 7.40 0.00 -1.26 -4.86 121.76 126.98 2jya s ALA 12 Ca -0.02 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 2jya s ALA 12 Cb -0.14 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2jya s ALA 12 CO -0.06 0.07 0.52 0.00 0.00 0.00 0.00 175.76 176.29 2jya s MET 13 N -2.95 4.10 0.05 0.00 0.23 -1.26 -4.70 119.30 114.78 2jya s MET 13 Ca 0.60 0.36 -0.02 0.00 -1.03 0.00 0.00 55.69 55.60 2jya s MET 13 Cb -0.12 -3.63 -0.27 0.00 -1.53 0.00 0.00 34.83 29.28 2jya s MET 13 CO 0.16 -0.30 1.05 0.37 -2.03 0.00 0.00 175.02 174.27 2jya h GLN 14 N 7.86 0.22 -0.56 3.16 5.75 -1.96 -3.41 115.11 126.18 2jya h GLN 14 Ca -0.30 -0.38 -0.30 0.00 -0.15 0.00 0.00 58.65 57.52 2jya h GLN 14 Cb 1.14 0.14 -0.23 0.00 1.07 0.00 0.00 27.48 29.60 2jya h GLN 14 CO 0.73 1.13 -0.67 0.45 -2.65 0.00 0.00 178.83 177.82 2jya n SER 15 N -3.47 -1.17 -2.23 -0.69 2.88 -1.26 -4.93 113.62 102.75 2jya n SER 15 Ca -0.10 -3.21 -0.17 0.00 -1.33 0.00 0.00 58.87 54.06 2jya n SER 15 Cb 1.02 0.93 0.02 0.00 -0.75 0.00 0.00 64.21 65.44 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 0.11 -0.25 1.57 0.46 0.00 -1.26 -4.93 105.19 100.89 2jya n GLY 16 Ca 0.09 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.02 2jya n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jya n THR 17 N -4.17 2.66 -3.44 2.61 -2.24 -1.26 -4.75 114.28 103.70 2jya n THR 17 Ca -0.11 -1.71 -0.27 0.00 -2.27 0.00 0.00 64.05 59.68 2jya n THR 17 Cb 0.61 -0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 2jya n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jya s ALA 18 N -2.89 0.84 -0.01 6.98 0.00 -1.26 -4.65 121.76 120.77 2jya s ALA 18 Ca 0.50 -1.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.45 2jya s ALA 18 Cb 0.40 -1.65 -0.33 0.00 0.00 0.00 0.00 23.12 21.54 2jya s ALA 18 CO 0.12 -2.09 0.87 1.57 0.00 0.00 0.00 175.76 176.23 2jya h LYS 19 N 6.79 0.45 0.00 0.00 2.10 -1.93 -3.46 116.57 120.52 2jya h LYS 19 Ca 0.09 -0.77 0.00 0.00 -2.00 0.00 0.00 60.65 57.97 2jya h LYS 19 Cb 0.97 0.29 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2jya h LYS 19 CO 0.27 1.37 0.00 0.25 -2.00 0.00 0.00 179.45 179.34 2jya n THR 20 N -3.77 0.00 -3.74 0.07 -2.24 -1.26 -5.14 114.28 98.20 2jya n THR 20 Ca -0.19 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2jya n THR 20 Cb 1.04 -0.14 -0.13 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.00 -0.24 0.46 3.42 0.02 -1.26 -4.51 114.94 113.83 2jya s ASN 21 Ca 0.00 0.49 0.03 0.00 -1.02 0.00 0.00 52.86 52.35 2jya s ASN 21 Cb 0.00 0.39 -0.03 0.00 0.02 0.00 0.00 41.25 41.63 2jya s ASN 21 CO 0.00 -0.15 0.03 0.68 0.02 0.00 0.00 177.10 177.68 2jya s VAL 22 N 1.08 1.17 -0.06 1.60 -7.23 -1.26 -5.07 120.40 110.63 2jya s VAL 22 Ca -0.08 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.86 2jya s VAL 22 Cb -0.09 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2jya s VAL 22 CO -0.07 0.00 0.68 0.26 -0.31 0.00 0.00 175.10 175.67 2jya s TRP 23 N -2.95 3.58 -0.13 2.82 0.52 -0.10 -4.39 118.94 118.29 2jya s TRP 23 Ca 0.16 1.23 -0.07 0.00 0.02 0.00 0.00 56.10 57.44 2jya s TRP 23 Cb 0.04 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 2jya s TRP 23 CO 0.09 0.11 0.11 0.08 0.02 0.00 0.00 176.95 177.36 2jya s VAL 24 N 0.72 5.26 -0.34 4.03 1.01 0.50 -1.27 120.40 130.32 2jya s VAL 24 Ca 0.37 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 2jya s VAL 24 Cb -0.18 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 32.97 2jya s VAL 24 CO 0.18 0.58 0.07 -0.22 0.00 0.00 0.00 175.10 175.70 2jya s LEU 25 N -0.67 4.46 -0.11 3.92 2.96 -0.29 -2.27 118.68 126.69 2jya s LEU 25 Ca 0.13 -1.67 0.03 0.00 -0.22 0.00 0.00 54.13 52.40 2jya s LEU 25 Cb -0.12 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 2jya s LEU 25 CO 0.02 -0.37 -0.21 -0.70 -1.32 0.00 0.00 176.35 173.77 2jya s GLU 26 N 1.15 3.12 0.05 1.98 2.12 -0.76 -1.09 118.70 125.27 2jya s GLU 26 Ca 0.02 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.52 2jya s GLU 26 Cb -0.21 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 2jya s GLU 26 CO -0.03 0.20 -0.04 -0.59 -0.54 0.00 0.00 175.26 174.25 2jya s PHE 27 N 0.32 0.53 -0.71 5.30 -0.71 -0.84 -0.68 117.98 121.20 2jya s PHE 27 Ca -0.17 -0.79 -0.26 0.00 -1.04 0.00 0.00 56.93 54.68 2jya s PHE 27 Cb -0.17 -0.35 -0.07 0.00 -1.21 0.00 0.00 43.02 41.22 2jya s PHE 27 CO 0.08 -0.23 2.14 0.34 -1.34 0.00 0.00 175.22 176.21 2jya s ASP 28 N -2.28 4.71 -0.68 1.98 2.15 -1.11 -2.96 116.67 118.49 2jya s ASP 28 Ca -0.02 0.16 -0.27 0.00 0.43 0.00 0.00 52.55 52.85 2jya s ASP 28 Cb -0.01 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2jya s ASP 28 CO -0.05 -2.95 1.57 0.00 -0.17 0.00 0.00 175.17 173.57 2jya s ALA 29 N 11.44 2.46 -0.70 3.66 0.00 0.04 -4.08 121.76 134.58 2jya s ALA 29 Ca 0.81 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 2jya s ALA 29 Cb -0.12 -4.28 -0.04 0.00 0.00 0.00 0.00 23.12 18.67 2jya s ALA 29 CO 0.13 -3.60 2.00 -1.83 0.00 0.00 0.00 175.76 172.47 2jya s GLU 30 N 6.39 2.45 -0.44 0.00 -1.05 -1.26 -2.14 118.70 122.65 2jya s GLU 30 Ca 0.51 0.44 -0.05 0.00 -0.15 0.00 0.00 54.97 55.72 2jya s GLU 30 Cb -0.10 -4.64 0.12 0.00 -0.44 0.00 0.00 34.13 29.06 2jya s GLU 30 CO 0.18 -3.13 0.26 0.54 0.95 0.00 0.00 175.26 174.06 2jya s VAL 31 N 10.24 3.59 0.00 1.83 0.11 -1.26 -5.04 120.40 129.88 2jya s VAL 31 Ca 0.74 -2.03 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 2jya s VAL 31 Cb -0.11 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 2jya s VAL 31 CO 0.14 -0.73 0.00 -0.81 -3.33 0.00 0.00 175.10 170.37 2jya n PRO 32 N 4.63 3.56 0.00 1.54 -0.04 -1.26 -4.24 135.00 139.19 2jya n PRO 32 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2jya n PRO 32 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 2jya n PRO 32 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2jya n ARG 33 N 0.00 0.00 0.00 0.54 0.00 -1.26 -2.99 116.66 112.95 2jya n ARG 33 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 2jya n ARG 33 Cb 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 32.46 30.93 2jya n ARG 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2jya n LYS 34 N -1.13 0.00 -1.54 2.89 4.76 -1.26 -4.54 118.16 117.34 2jya n LYS 34 Ca 0.00 0.33 -0.34 0.00 -2.87 0.00 0.00 58.31 55.43 2jya n LYS 34 Cb 0.03 -1.51 -0.07 0.00 -1.84 0.00 0.00 35.03 31.65 2jya n LYS 34 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2jya n ILE 35 N -1.33 -0.06 -1.69 -0.18 -6.64 -1.16 -4.90 119.36 103.41 2jya n ILE 35 Ca 0.00 -0.59 -0.44 0.00 -1.77 0.00 0.00 62.75 59.95 2jya n ILE 35 Cb 0.01 -2.13 -0.03 0.00 -1.44 0.00 0.00 39.64 36.06 2jya n ILE 35 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 2jya n ASP 36 N 14.74 3.09 0.16 7.28 9.92 -1.26 -4.87 116.55 145.61 2jya n ASP 36 Ca 0.45 1.13 0.09 0.00 -0.53 0.00 0.00 54.79 55.94 2jya n ASP 36 Cb 0.41 -1.47 0.51 0.00 -0.64 0.00 0.00 41.12 39.93 2jya n ASP 36 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2jya n PRO 37 N 2.34 0.12 -0.35 -0.24 -0.04 -1.26 -0.89 135.00 134.68 2jya n PRO 37 Ca 0.12 0.61 -0.02 0.00 -0.04 0.00 0.00 63.50 64.17 2jya n PRO 37 Cb 0.32 -2.01 0.12 0.00 -0.04 0.00 0.00 33.50 31.89 2jya n PRO 37 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jya h ILE 38 N 0.00 1.25 -3.51 0.52 1.08 -2.00 -3.35 117.51 111.50 2jya h ILE 38 Ca 0.00 -0.50 -0.69 0.00 -0.39 0.00 0.00 64.86 63.28 2jya h ILE 38 Cb 0.21 -0.14 -0.35 0.00 -3.07 0.00 0.00 36.82 33.47 2jya h ILE 38 CO 0.00 0.26 -0.52 -0.04 -0.69 0.00 0.00 178.15 177.15 2jya s MET 39 N -6.03 2.09 -0.52 2.37 -1.94 -0.07 -5.07 119.30 110.14 2jya s MET 39 Ca -0.13 -2.04 -0.26 0.00 -1.71 0.00 0.00 55.69 51.55 2jya s MET 39 Cb 0.18 -3.58 -0.06 0.00 2.01 0.00 0.00 34.83 33.38 2jya s MET 39 CO 0.82 -1.09 2.33 0.20 -0.01 0.00 0.00 175.02 177.27 2jya s GLY 40 N 1.36 -0.36 -0.04 -0.03 0.00 -1.26 -4.52 107.32 102.48 2jya s GLY 40 Ca 0.11 -0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.78 2jya s GLY 40 CO -0.04 4.04 0.93 2.98 0.00 0.00 0.00 173.10 181.01 2jya n TYR 41 N 15.51 0.00 0.56 1.90 9.36 -1.26 -4.83 117.16 138.40 2jya n TYR 41 Ca 0.34 -0.42 0.07 0.00 3.32 0.00 0.00 57.90 61.22 2jya n TYR 41 Cb 0.54 -0.07 0.33 0.00 -0.63 0.00 0.00 39.34 39.51 2jya n TYR 41 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2jya n THR 42 N -0.54 0.88 0.32 2.97 -2.24 -1.26 -2.00 114.28 112.42 2jya n THR 42 Ca 0.04 0.22 0.15 0.00 -2.27 0.00 0.00 64.05 62.20 2jya n THR 42 Cb 0.51 -0.97 0.58 0.00 -2.10 0.00 0.00 70.33 68.35 2jya n THR 42 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jya h SER 43 N 0.00 0.00 -2.56 3.42 0.02 -2.00 -3.40 113.55 109.03 2jya h SER 43 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 2jya h SER 43 Cb 0.22 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.39 2jya h SER 43 CO 0.00 0.00 -0.69 -0.44 -1.14 0.00 0.00 176.83 174.56 2jya s SER 44 N -5.29 2.16 -0.93 3.07 0.01 -0.84 -5.08 113.70 106.80 2jya s SER 44 Ca 0.03 -0.71 -0.16 0.00 1.31 0.00 0.00 55.95 56.43 2jya s SER 44 Cb 0.09 0.14 0.18 0.00 0.21 0.00 0.00 66.02 66.64 2jya s SER 44 CO 0.52 -0.38 1.02 -0.55 0.41 0.00 0.00 173.24 174.26 2jya s SER 45 N 2.25 6.78 0.33 2.44 0.15 -1.26 -4.99 113.70 119.40 2jya s SER 45 Ca 0.07 -2.51 -0.24 0.00 0.70 0.00 0.00 55.95 53.98 2jya s SER 45 Cb -0.15 -2.31 -0.10 0.00 -1.71 0.00 0.00 66.02 61.75 2jya s SER 45 CO -0.24 -0.78 0.91 -1.81 1.20 0.00 0.00 173.24 172.51 2jya s ASP 46 N 2.81 7.21 -0.95 5.45 1.11 -1.26 -4.98 116.67 126.06 2jya s ASP 46 Ca 0.28 1.73 -0.24 0.00 0.18 0.00 0.00 52.55 54.50 2jya s ASP 46 Cb -0.07 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 2jya s ASP 46 CO -0.08 -0.11 1.75 -0.04 1.18 0.00 0.00 175.17 177.87 2jya s MET 47 N -2.27 2.96 1.84 8.23 -1.94 -1.26 -4.86 119.30 122.00 2jya s MET 47 Ca 0.51 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 2jya s MET 47 Cb -0.16 -5.18 0.00 0.00 2.01 0.00 0.00 34.83 31.49 2jya s MET 47 CO 0.21 -2.93 0.00 1.63 -0.01 0.00 0.00 175.02 173.93 2jya n LYS 48 N 8.86 -0.16 -1.58 2.03 4.01 -1.26 -5.04 118.16 125.02 2jya n LYS 48 Ca 0.38 0.10 -0.01 0.00 -0.51 0.00 0.00 58.31 58.27 2jya n LYS 48 Cb 0.48 -0.19 -0.00 0.00 -0.51 0.00 0.00 35.03 34.81 2jya n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jya n GLN 49 N -1.99 0.05 -3.63 1.97 10.64 -0.91 -4.90 117.38 118.60 2jya n GLN 49 Ca 0.00 -0.16 -0.24 0.00 -1.83 0.00 0.00 57.00 54.78 2jya n GLN 49 Cb 0.04 0.16 -0.17 0.00 -0.86 0.00 0.00 30.24 29.40 2jya n GLN 49 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2jya s GLN 50 N -2.04 0.01 0.36 2.61 0.00 -1.26 -0.78 119.66 118.56 2jya s GLN 50 Ca 0.02 0.11 0.08 0.00 -0.00 0.00 0.00 55.36 55.56 2jya s GLN 50 Cb -0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 33.01 31.68 2jya s GLN 50 CO 0.01 -0.53 0.25 0.14 0.00 0.00 0.00 175.29 175.16 2jya s VAL 51 N 2.15 3.09 0.01 3.63 -7.23 -1.16 -4.93 120.40 115.96 2jya s VAL 51 Ca 0.03 -1.49 -0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2jya s VAL 51 Cb -0.14 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2jya s VAL 51 CO -0.07 -0.13 0.13 -1.59 -0.31 0.00 0.00 175.10 173.14 2jya s LYS 52 N -3.97 0.50 0.25 4.82 0.00 -1.26 -2.00 119.74 118.08 2jya s LYS 52 Ca 0.41 -0.44 0.11 0.00 0.00 0.00 0.00 55.97 56.05 2jya s LYS 52 Cb -0.03 0.20 -0.05 0.00 0.00 0.00 0.00 37.83 37.95 2jya s LYS 52 CO 0.25 -0.12 -0.19 -0.51 0.00 0.00 0.00 175.35 174.78 2jya s LEU 53 N -1.47 2.56 -0.09 2.77 1.02 -0.25 -4.96 118.68 118.25 2jya s LEU 53 Ca -0.14 -1.00 0.04 0.00 0.02 0.00 0.00 54.13 53.04 2jya s LEU 53 Cb -0.07 -1.00 0.00 0.00 0.02 0.00 0.00 46.19 45.14 2jya s LEU 53 CO 0.01 -0.00 -0.21 0.42 0.02 0.00 0.00 176.35 176.59 2jya s THR 54 N -2.50 1.82 0.06 5.49 -4.23 -1.26 -1.13 115.64 113.89 2jya s THR 54 Ca 0.27 -0.88 0.05 0.00 -1.18 0.00 0.00 61.69 59.95 2jya s THR 54 Cb -0.04 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 2jya s THR 54 CO 0.12 0.51 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.21 2jya s PHE 55 N 0.44 1.22 0.40 3.99 0.08 -0.40 -5.00 117.98 118.71 2jya s PHE 55 Ca -0.18 -0.43 0.14 0.00 0.12 0.00 0.00 56.93 56.58 2jya s PHE 55 Cb -0.17 -0.69 0.86 0.00 -0.57 0.00 0.00 43.02 42.44 2jya s PHE 55 CO 0.07 0.05 1.90 0.93 -0.10 0.00 0.00 175.22 178.07 2jya h GLU 56 N 4.45 0.00 -4.93 0.44 3.07 -1.94 -0.24 114.58 115.43 2jya h GLU 56 Ca -0.40 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.17 2jya h GLU 56 Cb 1.19 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.95 2jya h GLU 56 CO 0.41 0.29 -0.71 0.95 -1.40 0.00 0.00 179.01 178.55 2jya s THR 57 N -4.35 1.00 0.23 1.13 -4.23 -1.26 -4.42 115.64 103.75 2jya s THR 57 Ca -0.03 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 2jya s THR 57 Cb 0.15 -1.76 0.21 0.00 1.34 0.00 0.00 72.50 72.44 2jya s THR 57 CO 0.71 -0.77 1.91 -0.61 -0.54 0.00 0.00 174.62 175.31 2jya h GLN 58 N 2.90 1.17 -0.71 3.99 4.15 -1.93 -3.17 115.11 121.51 2jya h GLN 58 Ca -0.36 -0.07 0.14 0.00 0.77 0.00 0.00 58.65 59.13 2jya h GLN 58 Cb 1.18 -0.26 -0.10 0.00 0.21 0.00 0.00 27.48 28.51 2jya h GLN 58 CO 0.63 0.78 0.20 0.93 -1.93 0.00 0.00 178.83 179.44 2jya h GLU 59 N 1.21 0.31 -0.14 1.69 5.08 -1.98 -0.62 114.58 120.13 2jya h GLU 59 Ca 0.33 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 2jya h GLU 59 Cb -0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2jya h GLU 59 CO -0.07 0.20 -0.30 1.96 -1.00 0.00 0.00 179.01 179.80 2jya h GLN 60 N 0.32 0.27 -0.03 2.33 4.20 -1.96 -1.16 115.11 119.07 2jya h GLN 60 Ca 0.39 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.82 2jya h GLN 60 Cb 0.63 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.41 2jya h GLN 60 CO -0.45 0.55 -0.68 0.00 -0.67 0.00 0.00 178.83 177.57 2jya h ALA 61 N 1.45 0.13 -0.05 3.87 0.00 -1.28 -3.15 119.26 120.23 2jya h ALA 61 Ca 0.03 -0.58 -0.25 0.00 0.00 0.00 0.00 54.91 54.11 2jya h ALA 61 Cb 0.66 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2jya h ALA 61 CO 0.05 0.45 -0.94 1.05 0.00 0.00 0.00 179.25 179.85 2jya h GLU 62 N 0.09 0.68 -0.11 0.00 4.11 -1.12 -2.73 114.58 115.49 2jya h GLU 62 Ca -0.08 -0.67 -0.02 0.00 0.07 0.00 0.00 59.36 58.66 2jya h GLU 62 Cb 1.36 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2jya h GLU 62 CO 0.14 1.27 -0.02 0.00 0.07 0.00 0.00 179.01 180.46 2jya h ALA 63 N 0.51 1.75 0.44 1.06 0.00 -1.34 -0.34 119.26 121.35 2jya h ALA 63 Ca -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2jya h ALA 63 Cb 1.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2jya h ALA 63 CO 0.18 0.19 -0.21 -0.92 0.00 0.00 0.00 179.25 178.49 2jya h TYR 64 N 0.16 -0.55 -0.61 0.00 3.20 -1.50 -2.56 116.97 115.11 2jya h TYR 64 Ca 0.04 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.99 2jya h TYR 64 Cb 0.15 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 2jya h TYR 64 CO 0.00 -0.23 0.23 0.00 -1.64 0.00 0.00 178.16 176.52 2jya h ALA 65 N -0.60 0.79 -0.54 1.82 0.00 -1.16 -2.34 119.26 117.23 2jya h ALA 65 Ca -0.06 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jya h ALA 65 Cb 0.57 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2jya h ALA 65 CO 0.10 -0.19 0.27 1.96 0.00 0.00 0.00 179.25 181.39 2jya h GLN 66 N 0.41 0.76 -0.61 0.00 4.20 -1.16 0.31 115.11 119.03 2jya h GLN 66 Ca 0.31 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.99 2jya h GLN 66 Cb 0.38 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2jya h GLN 66 CO -0.31 0.61 0.40 -0.09 -0.67 0.00 0.00 178.83 178.78 2jya h ARG 67 N 0.72 0.52 0.00 1.46 2.43 -0.99 -2.33 114.38 116.18 2jya h ARG 67 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2jya h ARG 67 Cb 0.09 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2jya h ARG 67 CO -0.03 0.34 -1.03 1.63 -1.51 0.00 0.00 179.97 179.38 2jya n LYS 68 N -4.48 0.42 -0.58 0.20 4.76 -0.92 -4.96 118.16 112.62 2jya n LYS 68 Ca 0.09 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2jya n LYS 68 Cb 0.28 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 2jya n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jya n GLY 69 N 1.29 0.78 3.62 0.72 0.00 -0.01 -5.02 105.19 106.56 2jya n GLY 69 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 2jya n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jya n ILE 70 N -2.09 0.50 -1.70 -0.61 5.41 0.90 -4.94 119.36 116.84 2jya n ILE 70 Ca 0.00 -0.28 -0.44 0.00 1.00 0.00 0.00 62.75 63.04 2jya n ILE 70 Cb 0.00 -2.26 -0.03 0.00 -0.71 0.00 0.00 39.64 36.64 2jya n ILE 70 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2jya n GLU 71 N 7.93 2.46 -3.87 0.38 0.28 -1.25 -4.41 120.64 122.15 2jya n GLU 71 Ca 0.27 0.88 -0.11 0.00 -0.16 0.00 0.00 57.16 58.04 2jya n GLU 71 Cb 0.38 -2.67 -0.11 0.00 1.43 0.00 0.00 31.44 30.47 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 0.78 0.03 -0.17 -1.84 1.13 -1.26 -1.38 117.35 114.64 2jya s TYR 72 Ca 0.74 -0.08 0.00 0.00 -1.41 0.00 0.00 57.07 56.33 2jya s TYR 72 Cb -0.58 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.24 2jya s TYR 72 CO 0.38 -0.23 -0.17 1.03 -2.51 0.00 0.00 175.55 174.05 2jya s ARG 73 N -1.11 3.13 -0.13 -3.49 1.81 -0.27 -4.96 118.95 113.93 2jya s ARG 73 Ca -0.12 -0.78 -0.29 0.00 -1.72 0.00 0.00 55.73 52.82 2jya s ARG 73 Cb -0.07 -2.62 -0.01 0.00 -0.45 0.00 0.00 34.95 31.81 2jya s ARG 73 CO 0.01 -0.08 1.01 0.08 -0.68 0.00 0.00 175.30 175.63 2jya s VAL 74 N 1.04 4.77 -0.24 3.52 1.01 -1.26 -1.92 120.40 127.31 2jya s VAL 74 Ca -0.01 2.02 -0.06 0.00 0.00 0.00 0.00 61.98 63.93 2jya s VAL 74 Cb -0.15 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 2jya s VAL 74 CO -0.05 -0.03 0.03 -0.63 0.00 0.00 0.00 175.10 174.42 2jya s ILE 75 N 2.27 4.03 0.62 2.22 1.09 0.24 -4.93 121.20 126.74 2jya s ILE 75 Ca 0.47 -0.27 -0.19 0.00 -1.10 0.00 0.00 60.65 59.57 2jya s ILE 75 Cb -0.17 -2.87 -0.02 0.00 -1.06 0.00 0.00 42.46 38.33 2jya s ILE 75 CO 0.15 0.37 1.23 0.18 -0.10 0.00 0.00 174.94 176.77 2jya n LEU 76 N 4.83 5.45 -4.68 2.97 4.77 -1.26 -3.99 117.00 125.09 2jya n LEU 76 Ca -0.17 0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 56.36 2jya n LEU 76 Cb 0.51 -1.52 0.16 0.00 -2.33 0.00 0.00 43.42 40.24 2jya n LEU 76 CO 0.30 -1.13 0.65 -2.16 -1.33 0.00 0.00 177.39 173.73 2jya s PRO 77 N -3.16 1.01 0.52 3.23 0.04 -1.26 -4.77 135.00 130.61 2jya s PRO 77 Ca 0.80 1.11 0.21 0.00 0.04 0.00 0.00 61.00 63.16 2jya s PRO 77 Cb -0.39 -1.76 1.32 0.00 0.04 0.00 0.00 34.50 33.70 2jya s PRO 77 CO 0.43 -2.50 2.03 1.57 0.04 0.00 0.00 177.00 178.58 2jya h LYS 78 N -1.75 0.05 0.00 4.56 -0.00 -1.93 -1.90 116.57 115.60 2jya h LYS 78 Ca -0.48 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.09 2jya h LYS 78 Cb 1.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.48 2jya h LYS 78 CO 0.49 0.03 -0.35 1.05 -0.00 0.00 0.00 179.45 180.67 2jya h GLU 79 N 0.05 0.00 0.00 0.07 4.11 -1.91 -3.52 114.58 113.38 2jya h GLU 79 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 2jya h GLU 79 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jya h GLU 79 CO -0.01 0.35 0.00 0.00 0.07 0.00 0.00 179.01 179.42