#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 3.71 -0.21 7.83 0.01 -1.26 -3.73 113.70 120.05 2jya s SER 2 Ca 0.00 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 56.71 2jya s SER 2 Cb 0.00 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.61 2jya s SER 2 CO 0.00 0.09 0.14 0.00 0.41 0.00 0.00 173.24 173.88 2jya s ALA 3 N 0.77 3.67 -0.21 1.44 0.00 -0.15 -3.20 121.76 124.09 2jya s ALA 3 Ca -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 2jya s ALA 3 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.77 2jya s ALA 3 CO 0.01 0.09 -0.09 -1.59 0.00 0.00 0.00 175.76 174.17 2jya s LYS 4 N 0.50 3.24 -0.22 0.00 0.00 0.49 -0.85 119.74 122.90 2jya s LYS 4 Ca 0.08 -0.70 -0.06 0.00 0.00 0.00 0.00 55.97 55.29 2jya s LYS 4 Cb -0.12 -2.87 -0.03 0.00 0.00 0.00 0.00 37.83 34.82 2jya s LYS 4 CO -0.01 -0.21 0.04 0.42 0.00 0.00 0.00 175.35 175.60 2jya s ILE 5 N 1.41 4.22 0.13 3.79 1.09 -0.85 -2.13 121.20 128.87 2jya s ILE 5 Ca 0.05 -0.21 -0.12 0.00 -1.10 0.00 0.00 60.65 59.27 2jya s ILE 5 Cb -0.14 -2.94 0.01 0.00 -1.06 0.00 0.00 42.46 38.33 2jya s ILE 5 CO -0.06 0.38 0.32 -0.72 -0.10 0.00 0.00 174.94 174.76 2jya s TYR 6 N 1.26 0.08 -0.32 3.97 1.13 -0.84 -0.80 117.35 121.83 2jya s TYR 6 Ca 0.04 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 2jya s TYR 6 Cb -0.15 0.09 0.09 0.00 -1.10 0.00 0.00 41.96 40.89 2jya s TYR 6 CO 0.03 -0.68 0.00 1.03 -2.51 0.00 0.00 175.55 173.42 2jya s ARG 7 N -3.87 1.78 0.25 -3.49 0.52 -1.25 -1.09 118.95 111.80 2jya s ARG 7 Ca 0.08 -1.69 -0.30 0.00 -0.52 0.00 0.00 55.73 53.31 2jya s ARG 7 Cb 0.03 -3.12 -0.09 0.00 0.52 0.00 0.00 34.95 32.28 2jya s ARG 7 CO -0.08 -0.82 1.07 -1.25 0.02 0.00 0.00 175.30 174.25 2jya s PRO 8 N 0.99 4.67 0.06 3.54 0.04 -1.26 -4.60 135.00 138.43 2jya s PRO 8 Ca 0.04 1.73 0.16 0.00 0.04 0.00 0.00 61.00 62.97 2jya s PRO 8 Cb -0.20 -3.22 0.68 0.00 0.04 0.00 0.00 34.50 31.80 2jya s PRO 8 CO -0.07 0.24 1.51 0.00 0.04 0.00 0.00 177.00 178.72 2jya n ALA 9 N 1.48 1.64 -3.78 8.56 0.00 -1.26 -3.55 120.51 123.60 2jya n ALA 9 Ca -0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 2jya n ALA 9 Cb 0.45 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.07 1.20 0.14 0.00 -2.85 -1.26 -5.13 119.74 108.76 2jya s LYS 10 Ca 0.06 -1.78 -0.26 0.00 -1.00 0.00 0.00 55.97 53.00 2jya s LYS 10 Cb 0.09 -2.43 -0.07 0.00 -2.06 0.00 0.00 37.83 33.36 2jya s LYS 10 CO 0.28 -1.08 0.79 0.99 0.10 0.00 0.00 175.35 176.43 2jya s THR 11 N 0.73 4.45 0.01 3.79 2.01 -1.23 -5.01 115.64 120.39 2jya s THR 11 Ca 0.15 1.72 -0.31 0.00 0.31 0.00 0.00 61.69 63.55 2jya s THR 11 Cb -0.22 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 2jya s THR 11 CO -0.08 0.47 1.97 0.00 -0.69 0.00 0.00 174.62 176.29 2jya n ALA 12 N 1.94 1.48 -2.13 7.40 0.00 -1.26 -4.87 120.51 123.07 2jya n ALA 12 Ca -0.04 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 2jya n ALA 12 Cb 0.49 -2.66 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 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 4.44 2.72 0.14 0.00 -1.94 -1.26 -4.73 119.30 118.67 2jya s MET 13 Ca 0.90 -0.35 -0.05 0.00 -1.71 0.00 0.00 55.69 54.47 2jya s MET 13 Cb -0.47 -5.05 -0.04 0.00 2.01 0.00 0.00 34.83 31.27 2jya s MET 13 CO 0.44 -3.15 1.36 0.37 -0.01 0.00 0.00 175.02 174.03 2jya h GLN 14 N 11.29 0.50 -2.49 2.03 4.15 -2.04 -3.46 115.11 125.08 2jya h GLN 14 Ca 0.08 -0.45 -0.07 0.00 0.77 0.00 0.00 58.65 58.98 2jya h GLN 14 Cb 1.02 0.11 -0.18 0.00 0.21 0.00 0.00 27.48 28.63 2jya h GLN 14 CO 1.24 1.08 0.03 -1.54 -1.93 0.00 0.00 178.83 177.72 2jya s SER 15 N -7.05 -0.48 -1.28 -0.69 1.04 -1.26 -5.08 113.70 98.89 2jya s SER 15 Ca -0.07 0.39 -0.17 0.00 0.48 0.00 0.00 55.95 56.59 2jya s SER 15 Cb 0.09 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 2jya s SER 15 CO 0.86 -0.61 2.10 0.61 0.98 0.00 0.00 173.24 177.18 2jya n GLY 16 N 0.82 3.69 0.46 7.32 0.00 -1.26 -3.97 105.19 112.25 2jya n GLY 16 Ca -0.19 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2jya n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jya n THR 17 N 5.54 0.00 -1.91 2.61 5.66 -1.26 -5.05 114.28 119.87 2jya n THR 17 Ca 0.51 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 61.09 2jya n THR 17 Cb 0.40 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 2jya n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jya n ALA 18 N 0.00 5.35 -0.03 1.79 0.00 -1.26 -4.44 120.51 121.92 2jya n ALA 18 Ca 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 53.44 49.46 2jya n ALA 18 Cb 0.55 -3.44 -0.01 0.00 0.00 0.00 0.00 19.45 16.55 2jya n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jya n LYS 19 N 5.88 0.20 -2.54 0.00 4.01 -1.26 -4.66 118.16 119.79 2jya n LYS 19 Ca 0.49 0.33 -0.41 0.00 -0.51 0.00 0.00 58.31 58.22 2jya n LYS 19 Cb 0.39 -1.12 -0.03 0.00 -0.51 0.00 0.00 35.03 33.76 2jya n LYS 19 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2jya s THR 20 N -1.59 3.82 0.38 -0.18 -4.23 -1.26 -5.00 115.64 107.58 2jya s THR 20 Ca -0.07 -0.26 -0.27 0.00 -1.18 0.00 0.00 61.69 59.91 2jya s THR 20 Cb 0.01 -4.97 -0.09 0.00 1.34 0.00 0.00 72.50 68.79 2jya s THR 20 CO 0.11 -1.88 1.28 0.20 -0.54 0.00 0.00 174.62 173.80 2jya s ASN 21 N 4.56 6.50 0.50 3.99 -0.87 -1.26 -5.01 114.94 123.34 2jya s ASN 21 Ca 0.42 2.62 -0.20 0.00 -1.57 0.00 0.00 52.86 54.13 2jya s ASN 21 Cb -0.04 -2.64 -0.08 0.00 -0.02 0.00 0.00 41.25 38.48 2jya s ASN 21 CO 0.01 -0.71 1.06 0.54 -2.57 0.00 0.00 177.10 175.42 2jya s VAL 22 N -1.24 3.65 -0.10 1.60 0.11 -1.26 -5.01 120.40 118.15 2jya s VAL 22 Ca 0.54 1.03 -0.25 0.00 -2.93 0.00 0.00 61.98 60.37 2jya s VAL 22 Cb -0.38 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 2jya s VAL 22 CO 0.49 -0.22 0.78 0.26 -3.33 0.00 0.00 175.10 173.08 2jya s TRP 23 N -1.93 3.52 -0.14 1.54 0.52 -0.58 -4.66 118.94 117.22 2jya s TRP 23 Ca 0.68 1.29 -0.07 0.00 0.02 0.00 0.00 56.10 58.03 2jya s TRP 23 Cb -0.18 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.17 2jya s TRP 23 CO 0.22 -0.06 0.11 0.08 0.02 0.00 0.00 176.95 177.31 2jya s VAL 24 N 1.38 5.23 -0.32 4.03 1.01 -0.25 -1.44 120.40 130.04 2jya s VAL 24 Ca 0.39 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.50 2jya s VAL 24 Cb -0.18 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 32.99 2jya s VAL 24 CO 0.17 0.57 0.02 -0.22 0.00 0.00 0.00 175.10 175.64 2jya s LEU 25 N -0.58 4.36 -0.12 3.92 2.96 0.06 -1.99 118.68 127.28 2jya s LEU 25 Ca 0.12 -1.81 -0.04 0.00 -0.22 0.00 0.00 54.13 52.18 2jya s LEU 25 Cb -0.12 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2jya s LEU 25 CO 0.02 -0.34 0.05 -1.61 -1.32 0.00 0.00 176.35 173.15 2jya s GLU 26 N 1.04 3.37 0.01 1.98 2.02 -0.90 -1.09 118.70 125.12 2jya s GLU 26 Ca 0.03 -0.33 -0.06 0.00 0.02 0.00 0.00 54.97 54.63 2jya s GLU 26 Cb -0.20 -2.99 -0.00 0.00 0.10 0.00 0.00 34.13 31.03 2jya s GLU 26 CO -0.06 0.59 0.10 -0.59 0.02 0.00 0.00 175.26 175.33 2jya s PHE 27 N -0.54 0.08 -0.69 1.61 -0.71 -0.90 -0.38 117.98 116.46 2jya s PHE 27 Ca 0.10 -0.21 -0.26 0.00 -1.04 0.00 0.00 56.93 55.52 2jya s PHE 27 Cb -0.12 -0.08 -0.10 0.00 -1.21 0.00 0.00 43.02 41.52 2jya s PHE 27 CO 0.02 -0.27 2.33 -0.51 -1.34 0.00 0.00 175.22 175.45 2jya s ASP 28 N -1.39 4.28 0.04 1.98 1.11 -1.19 -2.46 116.67 119.04 2jya s ASP 28 Ca -0.15 0.35 -0.20 0.00 0.18 0.00 0.00 52.55 52.73 2jya s ASP 28 Cb -0.08 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.32 2jya s ASP 28 CO 0.01 -3.33 0.60 0.00 1.18 0.00 0.00 175.17 173.62 2jya s ALA 29 N 13.09 3.53 -2.00 5.23 0.00 -1.13 -4.61 121.76 135.87 2jya s ALA 29 Ca 0.90 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.96 2jya s ALA 29 Cb -0.14 -2.71 0.14 0.00 0.00 0.00 0.00 23.12 20.42 2jya s ALA 29 CO 0.14 0.28 1.11 -0.85 0.00 0.00 0.00 175.76 176.44 2jya n GLU 30 N 2.18 1.28 -3.06 0.00 0.28 -1.26 -3.74 120.64 116.32 2jya n GLU 30 Ca -0.08 -0.43 -0.41 0.00 -0.16 0.00 0.00 57.16 56.07 2jya n GLU 30 Cb 0.51 -1.10 -0.06 0.00 1.43 0.00 0.00 31.44 32.21 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 -1.84 4.88 0.00 3.84 0.11 -1.26 -4.81 120.40 121.32 2jya s VAL 31 Ca 0.09 0.93 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 2jya s VAL 31 Cb 0.05 -4.06 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 2jya s VAL 31 CO 0.06 -0.20 0.00 -0.81 -3.33 0.00 0.00 175.10 170.83 2jya n PRO 32 N 6.01 3.26 0.19 1.54 -0.04 -1.26 -2.02 135.00 142.68 2jya n PRO 32 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2jya n PRO 32 Cb 0.49 0.00 0.52 0.00 -0.04 0.00 0.00 33.50 34.47 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 0.00 -3.18 0.54 -0.00 -1.41 -3.16 114.38 107.18 2jya h ARG 33 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 59.98 59.34 2jya h ARG 33 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 29.99 2jya h ARG 33 CO 0.00 0.00 3.62 1.17 -0.00 0.00 0.00 179.97 184.76 2jya n LYS 34 N -2.27 3.40 -0.25 0.08 3.00 -1.26 -4.92 118.16 115.94 2jya n LYS 34 Ca -0.01 -2.15 0.00 0.00 -0.00 0.00 0.00 58.31 56.15 2jya n LYS 34 Cb 0.24 -2.81 0.00 0.00 0.00 0.00 0.00 35.03 32.45 2jya n LYS 34 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2jya n ILE 35 N 3.85 0.00 -1.62 3.15 -6.64 -1.19 -4.96 119.36 111.95 2jya n ILE 35 Ca 0.72 0.00 -0.46 0.00 -1.77 0.00 0.00 62.75 61.23 2jya n ILE 35 Cb 0.24 -1.56 -0.04 0.00 -1.44 0.00 0.00 39.64 36.84 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 -1.68 3.29 0.00 7.28 9.92 -1.26 -4.87 116.55 129.23 2jya n ASP 36 Ca 0.00 0.67 0.09 0.00 -0.53 0.00 0.00 54.79 55.02 2jya n ASP 36 Cb 0.00 -1.42 0.44 0.00 -0.64 0.00 0.00 41.12 39.50 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 7.60 0.16 0.27 -0.24 -0.04 -1.26 -2.77 135.00 138.72 2jya n PRO 37 Ca 0.27 0.14 -0.16 0.00 -0.04 0.00 0.00 63.50 63.71 2jya n PRO 37 Cb 0.34 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.53 0.00 0.52 1.08 -2.05 -3.40 117.51 114.18 2jya h ILE 38 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2jya h ILE 38 Cb 0.23 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2jya h ILE 38 CO 0.00 0.00 -0.84 1.15 -0.69 0.00 0.00 178.15 177.77 2jya n MET 39 N -5.37 0.36 -1.49 2.37 0.00 -1.24 -5.14 117.12 106.60 2jya n MET 39 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.73 2jya n MET 39 Cb 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 33.22 32.37 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 2.10 -4.43 1.31 3.17 0.00 -1.11 -5.03 105.19 101.20 2jya n GLY 40 Ca -0.13 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 0.94 0.00 -1.90 1.61 4.11 -1.26 -5.12 117.16 115.54 2jya n TYR 41 Ca 0.00 -0.60 -0.39 0.00 -0.00 0.00 0.00 57.90 56.92 2jya n TYR 41 Cb 0.00 -0.16 0.02 0.00 -0.00 0.00 0.00 39.34 39.21 2jya n TYR 41 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2jya s THR 42 N -0.44 2.31 -0.06 -3.48 -4.23 -1.26 -4.97 115.64 103.52 2jya s THR 42 Ca 0.32 0.25 -0.22 0.00 -1.18 0.00 0.00 61.69 60.86 2jya s THR 42 Cb 0.36 -3.13 -0.17 0.00 1.34 0.00 0.00 72.50 70.90 2jya s THR 42 CO -0.14 0.01 0.90 0.77 -0.54 0.00 0.00 174.62 175.62 2jya h SER 43 N 1.88 -0.14 0.00 3.99 4.64 -1.98 -3.50 113.55 118.45 2jya h SER 43 Ca -0.50 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 2jya h SER 43 Cb 1.28 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2jya h SER 43 CO 0.59 0.45 0.00 -0.24 -0.87 0.00 0.00 176.83 176.76 2jya n SER 44 N -4.88 0.00 -1.89 4.97 2.88 -1.26 -5.00 113.62 108.43 2jya n SER 44 Ca -0.08 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.24 2jya n SER 44 Cb 0.28 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.80 2jya n SER 44 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jya n SER 45 N -0.48 4.93 -4.77 -3.46 2.88 -1.26 -4.98 113.62 106.48 2jya n SER 45 Ca 0.00 -3.77 -0.38 0.00 -1.33 0.00 0.00 58.87 53.39 2jya n SER 45 Cb 0.00 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 2jya n SER 45 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2jya s ASP 46 N -3.20 6.45 0.24 -3.46 -4.77 -1.26 -4.96 116.67 105.71 2jya s ASP 46 Ca 0.52 2.28 0.03 0.00 -3.30 0.00 0.00 52.55 52.07 2jya s ASP 46 Cb 0.42 -2.60 0.04 0.00 -1.09 0.00 0.00 42.92 39.68 2jya s ASP 46 CO 0.02 -0.72 0.30 0.23 0.70 0.00 0.00 175.17 175.70 2jya n MET 47 N -0.13 0.81 -1.54 2.11 2.81 -1.26 -1.38 117.12 118.53 2jya n MET 47 Ca 0.05 -1.11 -0.17 0.00 -1.81 0.00 0.00 57.70 54.66 2jya n MET 47 Cb 0.48 -0.10 -0.11 0.00 -0.71 0.00 0.00 33.22 32.77 2jya n MET 47 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2jya n LYS 48 N -1.48 0.42 -2.38 0.03 0.00 -1.26 -4.29 118.16 109.21 2jya n LYS 48 Ca 0.06 -0.58 -0.33 0.00 -0.00 0.00 0.00 58.31 57.46 2jya n LYS 48 Cb 0.22 -2.94 -0.02 0.00 -0.00 0.00 0.00 35.03 32.28 2jya n LYS 48 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2jya s GLN 49 N 8.40 3.68 -0.32 -1.58 -2.07 -0.86 -4.73 119.66 122.19 2jya s GLN 49 Ca 1.04 1.26 -0.27 0.00 -1.82 0.00 0.00 55.36 55.57 2jya s GLN 49 Cb -0.34 -2.08 0.01 0.00 -1.09 0.00 0.00 33.01 29.51 2jya s GLN 49 CO 0.22 -0.52 0.98 1.14 -1.32 0.00 0.00 175.29 175.79 2jya s GLN 50 N -3.59 4.02 0.57 9.60 0.00 -1.26 -2.86 119.66 126.15 2jya s GLN 50 Ca 0.65 0.90 -0.05 0.00 -0.00 0.00 0.00 55.36 56.86 2jya s GLN 50 Cb -0.15 -3.74 0.01 0.00 0.00 0.00 0.00 33.01 29.13 2jya s GLN 50 CO 0.26 -0.83 0.86 0.14 0.00 0.00 0.00 175.29 175.72 2jya s VAL 51 N 3.41 3.65 -0.00 3.63 -7.23 -1.03 -4.78 120.40 118.05 2jya s VAL 51 Ca 0.41 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.48 2jya s VAL 51 Cb -0.13 -3.43 -0.00 0.00 0.56 0.00 0.00 36.38 33.38 2jya s VAL 51 CO 0.14 -0.42 -0.05 -1.59 -0.31 0.00 0.00 175.10 172.87 2jya s LYS 52 N -4.91 0.43 0.21 4.82 0.00 -1.26 -2.13 119.74 116.90 2jya s LYS 52 Ca 0.53 -0.20 0.10 0.00 0.00 0.00 0.00 55.97 56.40 2jya s LYS 52 Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 37.83 37.27 2jya s LYS 52 CO 0.44 0.11 -0.14 -0.51 0.00 0.00 0.00 175.35 175.24 2jya s LEU 53 N -0.16 2.78 -0.07 2.77 1.43 -0.25 -4.94 118.68 120.23 2jya s LEU 53 Ca 0.02 -0.75 0.05 0.00 -1.03 0.00 0.00 54.13 52.42 2jya s LEU 53 Cb -0.02 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 2jya s LEU 53 CO -0.00 0.08 -0.25 0.42 0.23 0.00 0.00 176.35 176.84 2jya s THR 54 N -1.91 2.07 0.03 5.49 -4.23 -1.26 -0.76 115.64 115.08 2jya s THR 54 Ca 0.25 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 2jya s THR 54 Cb -0.08 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 2jya s THR 54 CO 0.14 0.57 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.35 2jya s PHE 55 N 0.00 0.67 0.30 3.99 0.08 -0.52 -5.01 117.98 117.49 2jya s PHE 55 Ca -0.09 -0.40 0.26 0.00 0.12 0.00 0.00 56.93 56.82 2jya s PHE 55 Cb -0.15 -0.40 1.21 0.00 -0.57 0.00 0.00 43.02 43.11 2jya s PHE 55 CO 0.05 -0.06 1.96 0.93 -0.10 0.00 0.00 175.22 178.01 2jya h GLU 56 N 4.83 0.00 -4.82 0.44 4.39 -1.97 -1.53 114.58 115.92 2jya h GLU 56 Ca -0.34 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.07 2jya h GLU 56 Cb 1.20 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.70 2jya h GLU 56 CO 0.43 0.18 -0.67 0.95 -1.16 0.00 0.00 179.01 178.73 2jya s THR 57 N -3.97 0.76 0.24 1.13 -4.23 -1.26 -4.64 115.64 103.67 2jya s THR 57 Ca -0.01 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 2jya s THR 57 Cb 0.12 -2.02 0.21 0.00 1.34 0.00 0.00 72.50 72.15 2jya s THR 57 CO 0.61 -0.57 1.87 -0.61 -0.54 0.00 0.00 174.62 175.37 2jya h GLN 58 N 2.74 1.20 -0.72 3.99 4.15 -1.95 -3.21 115.11 121.31 2jya h GLN 58 Ca -0.36 -0.14 0.13 0.00 0.77 0.00 0.00 58.65 59.04 2jya h GLN 58 Cb 1.20 -0.23 -0.09 0.00 0.21 0.00 0.00 27.48 28.56 2jya h GLN 58 CO 0.63 0.88 0.29 0.93 -1.93 0.00 0.00 178.83 179.63 2jya h GLU 59 N 1.21 0.43 -0.01 1.69 5.08 -1.98 -0.68 114.58 120.33 2jya h GLU 59 Ca 0.30 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 2jya h GLU 59 Cb 0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2jya h GLU 59 CO -0.05 0.29 -0.55 1.96 -1.00 0.00 0.00 179.01 179.66 2jya h GLN 60 N 0.45 0.04 0.20 2.33 4.20 -1.96 -1.41 115.11 118.96 2jya h GLN 60 Ca 0.39 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.75 2jya h GLN 60 Cb 0.56 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.36 2jya h GLN 60 CO -0.38 0.57 -1.52 0.00 -0.67 0.00 0.00 178.83 176.84 2jya h ALA 61 N 1.42 0.01 0.01 3.87 0.00 -1.39 -2.92 119.26 120.26 2jya h ALA 61 Ca -0.00 -0.97 -0.26 0.00 0.00 0.00 0.00 54.91 53.68 2jya h ALA 61 Cb 0.98 0.23 0.02 0.00 0.00 0.00 0.00 17.79 19.02 2jya h ALA 61 CO 0.07 0.88 -1.04 1.05 0.00 0.00 0.00 179.25 180.21 2jya h GLU 62 N 0.12 0.63 -0.05 0.00 4.11 -1.19 -2.79 114.58 115.42 2jya h GLU 62 Ca -0.26 -0.70 -0.05 0.00 0.07 0.00 0.00 59.36 58.43 2jya h GLU 62 Cb 2.11 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.55 2jya h GLU 62 CO 0.23 1.29 -0.20 0.00 0.07 0.00 0.00 179.01 180.39 2jya h ALA 63 N 0.47 1.57 0.27 1.06 0.00 -1.38 -0.68 119.26 120.57 2jya h ALA 63 Ca -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2jya h ALA 63 Cb 1.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2jya h ALA 63 CO 0.20 0.32 -0.13 -0.92 0.00 0.00 0.00 179.25 178.71 2jya h TYR 64 N 0.07 -0.34 -0.70 0.00 3.20 -1.47 -1.60 116.97 116.14 2jya h TYR 64 Ca 0.01 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2jya h TYR 64 Cb 0.41 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 2jya h TYR 64 CO 0.00 -0.07 0.37 0.00 -1.64 0.00 0.00 178.16 176.82 2jya h ALA 65 N 0.07 0.96 -0.39 1.82 0.00 -1.26 -1.88 119.26 118.59 2jya h ALA 65 Ca -0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2jya h ALA 65 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jya h ALA 65 CO 0.06 -0.00 0.10 1.96 0.00 0.00 0.00 179.25 181.36 2jya h GLN 66 N 0.64 0.63 0.00 0.00 4.20 -1.12 0.52 115.11 119.98 2jya h GLN 66 Ca 0.33 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2jya h GLN 66 Cb 0.30 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2jya h GLN 66 CO -0.24 0.65 -0.19 -0.09 -0.67 0.00 0.00 178.83 178.29 2jya h ARG 67 N 0.49 0.00 0.00 1.46 2.43 -1.05 -2.01 114.38 115.70 2jya h ARG 67 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2jya h ARG 67 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2jya h ARG 67 CO 0.00 0.19 -0.77 0.87 -1.51 0.00 0.00 179.97 178.75 2jya h LYS 68 N 0.00 0.00 0.00 0.20 1.79 -0.95 -3.48 116.57 114.13 2jya h LYS 68 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jya h LYS 68 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2jya h LYS 68 CO 0.03 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.81 2jya n GLY 69 N 1.28 1.28 3.60 3.86 0.00 0.74 -5.01 105.19 110.94 2jya n GLY 69 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 0.41 -1.68 -0.61 5.41 0.15 -4.90 119.36 116.15 2jya n ILE 70 Ca 0.00 -0.39 -0.44 0.00 1.00 0.00 0.00 62.75 62.92 2jya n ILE 70 Cb 0.00 -2.46 -0.02 0.00 -0.71 0.00 0.00 39.64 36.44 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 8.48 2.08 -3.90 0.38 0.28 -1.24 -4.27 120.64 122.44 2jya n GLU 71 Ca 0.29 0.74 -0.11 0.00 -0.16 0.00 0.00 57.16 57.92 2jya n GLU 71 Cb 0.43 -2.38 -0.12 0.00 1.43 0.00 0.00 31.44 30.79 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 -0.26 0.08 -0.05 -1.84 1.13 -1.26 -0.97 117.35 114.17 2jya s TYR 72 Ca 0.65 -0.15 0.05 0.00 -1.41 0.00 0.00 57.07 56.21 2jya s TYR 72 Cb -0.63 -0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.15 2jya s TYR 72 CO 0.52 -0.12 -0.20 0.50 -2.51 0.00 0.00 175.55 173.75 2jya s ARG 73 N -0.70 2.49 -0.15 -3.49 6.06 -0.03 -4.93 118.95 118.20 2jya s ARG 73 Ca -0.08 -0.80 -0.05 0.00 -2.50 0.00 0.00 55.73 52.30 2jya s ARG 73 Cb -0.05 -2.27 -0.04 0.00 0.06 0.00 0.00 34.95 32.66 2jya s ARG 73 CO -0.00 0.52 0.04 0.14 -2.50 0.00 0.00 175.30 173.50 2jya s VAL 74 N -0.48 4.59 -0.35 7.11 -7.23 -1.26 -2.01 120.40 120.76 2jya s VAL 74 Ca 0.06 -0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 60.00 2jya s VAL 74 Cb -0.12 -3.02 0.01 0.00 0.56 0.00 0.00 36.38 33.82 2jya s VAL 74 CO 0.01 0.52 0.19 -0.63 -0.31 0.00 0.00 175.10 174.88 2jya s ILE 75 N -0.07 4.63 0.47 -0.62 1.09 0.02 -4.94 121.20 121.78 2jya s ILE 75 Ca 0.05 -0.68 -0.22 0.00 -1.10 0.00 0.00 60.65 58.70 2jya s ILE 75 Cb -0.12 -3.50 -0.07 0.00 -1.06 0.00 0.00 42.46 37.70 2jya s ILE 75 CO 0.01 -0.13 1.13 -0.76 -0.10 0.00 0.00 174.94 175.10 2jya s LEU 76 N 1.58 3.96 1.02 2.97 1.43 -1.26 -3.95 118.68 124.43 2jya s LEU 76 Ca 0.03 2.20 -0.16 0.00 -1.03 0.00 0.00 54.13 55.17 2jya s LEU 76 Cb -0.18 -4.33 0.21 0.00 0.03 0.00 0.00 46.19 41.92 2jya s LEU 76 CO 0.07 -0.89 1.25 -2.16 0.23 0.00 0.00 176.35 174.84 2jya s PRO 77 N -2.83 0.23 0.51 1.29 0.04 -1.26 -4.85 135.00 128.12 2jya s PRO 77 Ca 0.65 -0.25 0.21 0.00 0.04 0.00 0.00 61.00 61.65 2jya s PRO 77 Cb -0.25 -1.78 1.34 0.00 0.04 0.00 0.00 34.50 33.84 2jya s PRO 77 CO 0.30 -2.72 2.10 1.57 0.04 0.00 0.00 177.00 178.30 2jya h LYS 78 N -1.86 0.00 -0.65 4.56 5.09 -1.97 -2.70 116.57 119.04 2jya h LYS 78 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.29 2jya h LYS 78 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.59 2jya h LYS 78 CO 0.40 0.09 0.00 -0.85 -2.09 0.00 0.00 179.45 177.00 2jya n GLU 79 N -4.10 3.30 0.00 0.07 0.28 -1.26 -5.26 120.64 113.66 2jya n GLU 79 Ca -0.03 -2.54 0.09 0.00 -0.16 0.00 0.00 57.16 54.52 2jya n GLU 79 Cb 0.18 -1.78 0.52 0.00 1.43 0.00 0.00 31.44 31.79 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97