#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 3.04 -0.13 7.83 0.01 -1.26 -2.94 113.70 120.25 2jya s SER 2 Ca 0.00 -0.60 -0.08 0.00 1.31 0.00 0.00 55.95 56.58 2jya s SER 2 Cb 0.00 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 2jya s SER 2 CO 0.00 0.04 0.16 0.00 0.41 0.00 0.00 173.24 173.85 2jya s ALA 3 N 1.05 3.82 -0.19 1.44 0.00 -0.19 -2.90 121.76 124.78 2jya s ALA 3 Ca -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2jya s ALA 3 Cb -0.14 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 2jya s ALA 3 CO -0.07 0.49 -0.08 -1.59 0.00 0.00 0.00 175.76 174.52 2jya s LYS 4 N -0.68 3.38 -0.22 0.00 -2.85 0.02 -0.99 119.74 118.40 2jya s LYS 4 Ca 0.14 -0.65 -0.07 0.00 -1.00 0.00 0.00 55.97 54.40 2jya s LYS 4 Cb -0.12 -2.87 -0.03 0.00 -2.06 0.00 0.00 37.83 32.75 2jya s LYS 4 CO 0.03 -0.04 0.06 0.42 0.10 0.00 0.00 175.35 175.92 2jya s ILE 5 N 1.05 4.37 0.30 3.79 1.09 -0.93 -2.05 121.20 128.82 2jya s ILE 5 Ca 0.00 -0.16 -0.09 0.00 -1.10 0.00 0.00 60.65 59.30 2jya s ILE 5 Cb -0.15 -3.01 0.00 0.00 -1.06 0.00 0.00 42.46 38.25 2jya s ILE 5 CO -0.01 0.38 0.50 -0.72 -0.10 0.00 0.00 174.94 175.00 2jya s TYR 6 N 1.20 0.65 -0.30 3.97 1.13 -0.78 -0.75 117.35 122.47 2jya s TYR 6 Ca 0.04 -0.99 -0.03 0.00 -1.41 0.00 0.00 57.07 54.68 2jya s TYR 6 Cb -0.14 0.13 0.11 0.00 -1.10 0.00 0.00 41.96 40.96 2jya s TYR 6 CO 0.03 -1.11 0.14 0.50 -2.51 0.00 0.00 175.55 172.60 2jya s ARG 7 N -3.42 0.28 0.89 -3.49 3.52 -1.26 -0.36 118.95 115.10 2jya s ARG 7 Ca 0.25 -0.70 -0.14 0.00 -0.13 0.00 0.00 55.73 55.02 2jya s ARG 7 Cb -0.01 -1.21 0.15 0.00 -1.56 0.00 0.00 34.95 32.32 2jya s ARG 7 CO 0.14 -1.06 1.25 -1.25 -0.81 0.00 0.00 175.30 173.57 2jya s PRO 8 N 1.89 1.20 0.40 5.12 0.04 -1.26 -3.73 135.00 138.66 2jya s PRO 8 Ca 0.11 -0.26 0.27 0.00 0.04 0.00 0.00 61.00 61.16 2jya s PRO 8 Cb -0.17 -1.92 0.86 0.00 0.04 0.00 0.00 34.50 33.31 2jya s PRO 8 CO -0.29 -2.05 1.78 0.00 0.04 0.00 0.00 177.00 176.48 2jya h ALA 9 N -1.35 1.00 -2.85 8.56 0.00 -2.01 -3.42 119.26 119.20 2jya h ALA 9 Ca -0.45 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2jya h ALA 9 Cb 1.27 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.76 2jya h ALA 9 CO 0.49 0.00 -0.46 -1.59 0.00 0.00 0.00 179.25 177.69 2jya s LYS 10 N -3.35 0.23 0.00 0.00 -2.85 -1.26 -4.91 119.74 107.60 2jya s LYS 10 Ca 0.05 0.71 0.00 0.00 -1.00 0.00 0.00 55.97 55.73 2jya s LYS 10 Cb 0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2jya s LYS 10 CO 0.57 -0.22 0.33 0.25 0.10 0.00 0.00 175.35 176.39 2jya n THR 11 N 4.76 0.00 0.00 3.79 -2.24 -1.26 -5.05 114.28 114.28 2jya n THR 11 Ca -0.16 0.66 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 2jya n THR 11 Cb 0.52 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 -0.58 0.00 -2.63 6.98 0.00 -1.26 -5.03 120.51 118.00 2jya n ALA 12 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2jya n ALA 12 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2jya n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jya s MET 13 N 0.00 3.39 -1.09 0.00 0.23 -1.26 -4.99 119.30 115.58 2jya s MET 13 Ca 0.00 -0.13 -0.18 0.00 -1.03 0.00 0.00 55.69 54.35 2jya s MET 13 Cb 0.00 -4.02 0.12 0.00 -1.53 0.00 0.00 34.83 29.40 2jya s MET 13 CO 0.00 -1.45 1.37 -0.65 -2.03 0.00 0.00 175.02 172.26 2jya s GLN 14 N 4.00 3.82 0.00 3.16 -1.52 -1.26 -4.79 119.66 123.07 2jya s GLN 14 Ca 0.33 -1.96 0.00 0.00 -1.95 0.00 0.00 55.36 51.78 2jya s GLN 14 Cb -0.12 -5.13 0.00 0.00 -0.22 0.00 0.00 33.01 27.54 2jya s GLN 14 CO 0.21 -1.92 0.00 0.43 -0.25 0.00 0.00 175.29 173.76 2jya n SER 15 N 6.93 0.00 -0.35 5.90 7.64 -1.26 -4.79 113.62 127.69 2jya n SER 15 Ca 0.33 0.07 0.09 0.00 1.01 0.00 0.00 58.87 60.38 2jya n SER 15 Cb 0.47 -0.23 0.18 0.00 -1.01 0.00 0.00 64.21 63.61 2jya n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jya n GLY 16 N 2.11 4.53 0.00 0.23 0.00 -1.26 -4.73 105.19 106.06 2jya n GLY 16 Ca 0.00 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.08 0.00 0.22 2.61 -2.24 -1.25 -2.19 114.28 110.35 2jya n THR 17 Ca 0.17 -0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 2jya n THR 17 Cb 0.71 -0.50 0.44 0.00 -2.10 0.00 0.00 70.33 68.88 2jya n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jya h ALA 18 N 3.08 1.01 0.00 6.98 0.00 -1.93 -3.34 119.26 125.06 2jya h ALA 18 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jya h ALA 18 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jya h ALA 18 CO 0.00 0.29 -0.30 1.63 0.00 0.00 0.00 179.25 180.87 2jya n LYS 19 N -3.38 0.24 -3.74 0.00 5.02 -0.97 -5.01 118.16 110.32 2jya n LYS 19 Ca 0.00 0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 56.49 2jya n LYS 19 Cb 0.44 -1.22 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 2jya n LYS 19 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jya s THR 20 N -1.70 -0.08 0.68 -0.18 -4.23 -0.93 -5.16 115.64 104.04 2jya s THR 20 Ca -0.09 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 2jya s THR 20 Cb 0.01 -0.12 -0.00 0.00 1.34 0.00 0.00 72.50 73.73 2jya s THR 20 CO 0.13 0.11 1.06 0.20 -0.54 0.00 0.00 174.62 175.58 2jya s ASN 21 N 1.38 5.66 0.27 3.99 0.01 -1.25 -3.77 114.94 121.23 2jya s ASN 21 Ca -0.05 1.41 0.01 0.00 -0.71 0.00 0.00 52.86 53.51 2jya s ASN 21 Cb -0.13 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.21 2jya s ASN 21 CO -0.03 -1.24 0.06 1.33 -1.51 0.00 0.00 177.10 175.71 2jya n VAL 22 N -2.98 0.00 -3.03 1.60 0.24 -1.26 -5.06 118.33 107.84 2jya n VAL 22 Ca 0.07 -1.23 -0.40 0.00 -2.04 0.00 0.00 64.34 60.74 2jya n VAL 22 Cb 0.55 0.11 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 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 -1.82 3.66 -0.12 6.34 0.52 -0.07 -4.44 118.94 123.01 2jya s TRP 23 Ca 0.04 1.35 -0.06 0.00 0.02 0.00 0.00 56.10 57.45 2jya s TRP 23 Cb -0.00 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.49 2jya s TRP 23 CO 0.03 0.20 0.10 0.08 0.02 0.00 0.00 176.95 177.37 2jya s VAL 24 N 0.32 5.13 -0.32 4.03 1.01 0.51 -1.16 120.40 129.91 2jya s VAL 24 Ca 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2jya s VAL 24 Cb -0.19 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.02 2jya s VAL 24 CO 0.20 0.59 0.03 -0.22 0.00 0.00 0.00 175.10 175.71 2jya s LEU 25 N -0.78 4.16 -0.12 3.92 0.20 -0.05 -1.87 118.68 124.14 2jya s LEU 25 Ca 0.13 -1.44 -0.02 0.00 0.69 0.00 0.00 54.13 53.48 2jya s LEU 25 Cb -0.12 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 2jya s LEU 25 CO 0.03 -0.31 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.04 2jya s GLU 26 N 1.21 3.29 0.04 1.98 2.12 -0.87 -0.92 118.70 125.56 2jya s GLU 26 Ca -0.02 -0.49 -0.08 0.00 0.36 0.00 0.00 54.97 54.74 2jya s GLU 26 Cb -0.20 -2.82 -0.00 0.00 0.26 0.00 0.00 34.13 31.37 2jya s GLU 26 CO -0.02 0.46 0.15 -0.59 -0.54 0.00 0.00 175.26 174.72 2jya s PHE 27 N -0.23 0.11 -0.29 5.30 -0.71 -0.76 -0.80 117.98 120.61 2jya s PHE 27 Ca 0.04 -0.35 -0.28 0.00 -1.04 0.00 0.00 56.93 55.30 2jya s PHE 27 Cb -0.13 -0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.56 2jya s PHE 27 CO 0.02 -0.39 2.20 0.34 -1.34 0.00 0.00 175.22 176.05 2jya s ASP 28 N -2.03 5.31 0.68 1.98 2.15 -1.14 -2.65 116.67 120.97 2jya s ASP 28 Ca -0.06 1.65 -0.17 0.00 0.43 0.00 0.00 52.55 54.40 2jya s ASP 28 Cb -0.02 -2.51 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2jya s ASP 28 CO -0.04 -2.11 1.24 0.00 -0.17 0.00 0.00 175.17 174.09 2jya s ALA 29 N 8.87 2.26 -1.99 3.66 0.00 -1.26 -4.41 121.76 128.89 2jya s ALA 29 Ca 0.97 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.99 2jya s ALA 29 Cb -0.29 -3.50 0.12 0.00 0.00 0.00 0.00 23.12 19.46 2jya s ALA 29 CO 0.33 -1.69 1.10 -0.85 0.00 0.00 0.00 175.76 174.65 2jya n GLU 30 N -2.28 1.33 -3.53 0.00 -0.00 -1.26 -4.81 120.64 110.08 2jya n GLU 30 Ca 0.14 -0.51 -0.37 0.00 -0.00 0.00 0.00 57.16 56.43 2jya n GLU 30 Cb 0.49 -1.11 -0.07 0.00 -0.00 0.00 0.00 31.44 30.76 2jya n GLU 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2jya s VAL 31 N -1.81 5.24 1.16 3.84 0.11 -1.26 -5.11 120.40 122.58 2jya s VAL 31 Ca 0.09 0.65 -0.17 0.00 -2.93 0.00 0.00 61.98 59.62 2jya s VAL 31 Cb 0.05 -3.66 0.18 0.00 -1.53 0.00 0.00 36.38 31.43 2jya s VAL 31 CO 0.06 0.45 0.34 -2.65 -3.33 0.00 0.00 175.10 169.97 2jya n PRO 32 N 3.00 -2.18 0.13 1.54 -0.02 -1.26 -4.70 135.00 131.51 2jya n PRO 32 Ca -0.12 -0.62 0.11 0.00 -2.02 0.00 0.00 63.50 60.84 2jya n PRO 32 Cb 0.52 -1.81 0.50 0.00 -0.02 0.00 0.00 33.50 32.69 2jya n PRO 32 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2jya n ARG 33 N -3.09 0.16 -2.18 -0.52 -4.01 -1.00 -4.60 116.66 101.42 2jya n ARG 33 Ca 0.02 0.50 -0.43 0.00 -1.04 0.00 0.00 57.85 56.91 2jya n ARG 33 Cb 0.58 -1.88 -0.02 0.00 -3.04 0.00 0.00 32.46 28.10 2jya n ARG 33 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2jya s LYS 34 N -3.38 3.41 0.40 2.89 -0.14 -1.26 -4.94 119.74 116.72 2jya s LYS 34 Ca 0.02 1.12 0.01 0.00 -1.36 0.00 0.00 55.97 55.75 2jya s LYS 34 Cb 0.08 -4.12 -0.02 0.00 -1.68 0.00 0.00 37.83 32.09 2jya s LYS 34 CO 0.30 -1.76 0.61 0.96 -0.76 0.00 0.00 175.35 174.69 2jya s ILE 35 N 6.27 4.53 0.25 2.17 -4.36 -1.26 -5.11 121.20 123.68 2jya s ILE 35 Ca 0.69 -0.50 -0.12 0.00 -0.26 0.00 0.00 60.65 60.46 2jya s ILE 35 Cb -0.17 -3.66 -0.08 0.00 1.25 0.00 0.00 42.46 39.80 2jya s ILE 35 CO 0.32 -0.44 0.62 -0.62 0.24 0.00 0.00 174.94 175.06 2jya s ASP 36 N -4.13 6.72 0.45 4.36 2.15 -1.26 -4.98 116.67 119.98 2jya s ASP 36 Ca 0.44 1.08 0.23 0.00 0.43 0.00 0.00 52.55 54.74 2jya s ASP 36 Cb -0.10 -2.29 1.23 0.00 -0.30 0.00 0.00 42.92 41.46 2jya s ASP 36 CO 0.37 -0.09 1.83 1.55 -0.17 0.00 0.00 175.17 178.66 2jya h PRO 37 N 2.61 0.26 -0.60 4.34 0.13 -2.00 -1.60 132.00 135.13 2jya h PRO 37 Ca -0.47 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2jya h PRO 37 Cb 1.17 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2jya h PRO 37 CO 0.67 0.17 0.22 0.82 -0.23 0.00 0.00 178.00 179.65 2jya h ILE 38 N 0.27 1.24 0.86 -3.56 2.04 -2.06 -3.19 117.51 113.10 2jya h ILE 38 Ca 0.51 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2jya h ILE 38 Cb 1.52 0.60 0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2jya h ILE 38 CO -0.16 0.30 -0.41 0.24 0.00 0.00 0.00 178.15 178.11 2jya h MET 39 N 0.85 -1.11 -1.68 2.37 2.86 -1.70 -3.47 114.93 113.05 2jya h MET 39 Ca 0.20 0.08 -0.36 0.00 -2.06 0.00 0.00 59.70 57.56 2jya h MET 39 Cb 0.24 0.25 -0.08 0.00 0.06 0.00 0.00 31.60 32.07 2jya h MET 39 CO -0.01 -0.74 -0.39 0.41 1.06 0.00 0.00 176.91 177.24 2jya n GLY 40 N -1.41 0.70 2.71 8.32 0.00 -0.94 -4.91 105.19 109.66 2jya n GLY 40 Ca -0.15 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2jya n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jya n TYR 41 N -3.24 3.12 0.98 1.61 9.36 -1.26 -4.56 117.16 123.16 2jya n TYR 41 Ca -0.19 -2.91 0.11 0.00 3.32 0.00 0.00 57.90 58.22 2jya n TYR 41 Cb 0.62 -2.28 -0.02 0.00 -0.63 0.00 0.00 39.34 37.03 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 4.04 0.00 0.05 2.97 -2.24 -1.26 -4.49 114.28 113.35 2jya n THR 42 Ca 0.52 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.94 2jya n THR 42 Cb 0.35 1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 2jya n THR 42 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jya h SER 43 N 2.05 -0.03 -3.62 3.42 4.64 -2.02 -3.37 113.55 114.61 2jya h SER 43 Ca 0.00 -0.04 -0.64 0.00 -0.47 0.00 0.00 61.79 60.64 2jya h SER 43 Cb 0.71 0.01 -0.39 0.00 -0.31 0.00 0.00 62.40 62.41 2jya h SER 43 CO 0.00 0.02 -0.75 -0.44 -0.87 0.00 0.00 176.83 174.79 2jya s SER 44 N -5.20 4.43 -1.00 4.97 0.01 -1.26 -5.07 113.70 110.58 2jya s SER 44 Ca -0.13 -1.77 -0.24 0.00 1.31 0.00 0.00 55.95 55.12 2jya s SER 44 Cb 0.06 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.83 2jya s SER 44 CO 0.66 -0.33 1.90 -0.94 0.41 0.00 0.00 173.24 174.95 2jya s SER 45 N 1.14 5.25 0.51 2.44 1.04 -1.26 -4.96 113.70 117.85 2jya s SER 45 Ca 0.04 -1.04 -0.00 0.00 0.48 0.00 0.00 55.95 55.43 2jya s SER 45 Cb -0.19 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.38 2jya s SER 45 CO -0.10 -2.71 0.74 -0.62 0.98 0.00 0.00 173.24 171.53 2jya s ASP 46 N 7.32 5.59 0.21 7.02 -1.08 -1.26 -5.03 116.67 129.44 2jya s ASP 46 Ca 0.68 0.25 -0.04 0.00 -0.52 0.00 0.00 52.55 52.92 2jya s ASP 46 Cb -0.04 -1.33 0.18 0.00 -1.46 0.00 0.00 42.92 40.27 2jya s ASP 46 CO 0.03 -0.92 1.59 0.24 0.52 0.00 0.00 175.17 176.63 2jya h MET 47 N 0.19 0.69 -1.13 4.34 2.86 -1.93 -3.44 114.93 116.50 2jya h MET 47 Ca -0.45 -0.32 0.28 0.00 -2.06 0.00 0.00 59.70 57.15 2jya h MET 47 Cb 1.27 -0.01 -0.23 0.00 0.06 0.00 0.00 31.60 32.69 2jya h MET 47 CO 0.56 0.92 0.93 -1.59 1.06 0.00 0.00 176.91 178.80 2jya s LYS 48 N -4.41 0.10 -0.43 1.72 0.00 -1.26 -2.37 119.74 113.09 2jya s LYS 48 Ca -0.09 -0.02 -0.28 0.00 0.00 0.00 0.00 55.97 55.59 2jya s LYS 48 Cb 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 37.83 37.99 2jya s LYS 48 CO 0.83 -0.04 1.75 1.14 0.00 0.00 0.00 175.35 179.04 2jya s GLN 49 N -1.72 3.15 -0.84 1.78 -2.07 -1.26 -4.79 119.66 113.90 2jya s GLN 49 Ca 0.10 1.08 -0.25 0.00 -1.82 0.00 0.00 55.36 54.47 2jya s GLN 49 Cb -0.01 -4.23 -0.07 0.00 -1.09 0.00 0.00 33.01 27.61 2jya s GLN 49 CO -0.05 -2.09 2.08 1.14 -1.32 0.00 0.00 175.29 175.06 2jya s GLN 50 N 5.97 2.28 0.79 9.60 0.00 -1.26 -4.10 119.66 132.94 2jya s GLN 50 Ca 0.72 0.02 -0.11 0.00 -0.00 0.00 0.00 55.36 56.00 2jya s GLN 50 Cb -0.18 -4.93 0.06 0.00 0.00 0.00 0.00 33.01 27.96 2jya s GLN 50 CO 0.29 -3.64 1.09 0.08 0.00 0.00 0.00 175.29 173.11 2jya s VAL 51 N 11.42 3.26 -0.04 3.63 1.01 -1.09 -4.64 120.40 133.96 2jya s VAL 51 Ca 0.77 0.41 0.02 0.00 0.00 0.00 0.00 61.98 63.17 2jya s VAL 51 Cb -0.09 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.40 2jya s VAL 51 CO 0.04 -0.54 -0.06 -1.59 0.00 0.00 0.00 175.10 172.95 2jya s LYS 52 N -4.92 0.87 0.09 2.72 -2.85 -1.26 -1.82 119.74 112.57 2jya s LYS 52 Ca 0.61 -0.18 0.08 0.00 -1.00 0.00 0.00 55.97 55.48 2jya s LYS 52 Cb -0.17 -0.84 -0.04 0.00 -2.06 0.00 0.00 37.83 34.73 2jya s LYS 52 CO 0.56 -0.00 -0.17 -0.51 0.10 0.00 0.00 175.35 175.33 2jya s LEU 53 N 0.59 2.71 -0.12 2.77 2.01 -0.09 -4.95 118.68 121.60 2jya s LEU 53 Ca -0.08 -0.50 0.01 0.00 0.01 0.00 0.00 54.13 53.57 2jya s LEU 53 Cb -0.12 -1.57 -0.01 0.00 0.01 0.00 0.00 46.19 44.50 2jya s LEU 53 CO 0.01 0.20 -0.15 0.42 1.01 0.00 0.00 176.35 177.84 2jya s THR 54 N -1.08 2.92 0.04 5.49 -4.23 -1.26 -0.87 115.64 116.65 2jya s THR 54 Ca 0.17 -0.71 0.05 0.00 -1.18 0.00 0.00 61.69 60.01 2jya s THR 54 Cb -0.11 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 2jya s THR 54 CO 0.09 0.53 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.21 2jya s PHE 55 N 0.25 1.15 0.30 3.99 0.40 -0.31 -5.00 117.98 118.77 2jya s PHE 55 Ca -0.10 -0.37 0.19 0.00 -0.60 0.00 0.00 56.93 56.05 2jya s PHE 55 Cb -0.16 -0.68 0.89 0.00 0.51 0.00 0.00 43.02 43.58 2jya s PHE 55 CO 0.06 0.03 1.85 0.93 0.70 0.00 0.00 175.22 178.79 2jya h GLU 56 N 4.84 0.00 -4.80 0.44 5.08 -1.96 -0.16 114.58 118.02 2jya h GLU 56 Ca -0.38 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.72 2jya h GLU 56 Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 2jya h GLU 56 CO 0.43 0.31 -0.71 0.95 -1.00 0.00 0.00 179.01 179.00 2jya s THR 57 N -3.96 0.85 0.18 1.13 -4.23 -1.26 -4.52 115.64 103.83 2jya s THR 57 Ca -0.02 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 2jya s THR 57 Cb 0.13 -1.67 0.08 0.00 1.34 0.00 0.00 72.50 72.38 2jya s THR 57 CO 0.67 -0.79 1.77 -0.61 -0.54 0.00 0.00 174.62 175.12 2jya h GLN 58 N 3.01 0.40 -0.70 3.99 4.15 -1.96 -3.12 115.11 120.88 2jya h GLN 58 Ca -0.36 -0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.17 2jya h GLN 58 Cb 1.18 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.68 2jya h GLN 58 CO 0.63 0.27 0.22 0.93 -1.93 0.00 0.00 178.83 178.94 2jya h GLU 59 N 0.41 0.34 0.00 1.69 3.07 -1.99 -0.66 114.58 117.45 2jya h GLU 59 Ca 0.23 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.96 2jya h GLU 59 Cb 0.19 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2jya h GLU 59 CO -0.20 0.23 -0.50 1.96 -1.40 0.00 0.00 179.01 179.10 2jya h GLN 60 N 0.35 0.00 0.06 2.33 4.20 -1.96 -1.88 115.11 118.22 2jya h GLN 60 Ca 0.38 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.92 2jya h GLN 60 Cb 0.59 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.38 2jya h GLN 60 CO -0.42 0.50 -0.69 0.00 -0.67 0.00 0.00 178.83 177.54 2jya h ALA 61 N 1.50 -0.00 -0.27 3.87 0.00 -1.22 -3.08 119.26 120.07 2jya h ALA 61 Ca -0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 54.91 54.12 2jya h ALA 61 Cb 0.92 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jya h ALA 61 CO 0.06 0.36 -0.48 1.05 0.00 0.00 0.00 179.25 180.25 2jya h GLU 62 N -0.23 0.71 -0.66 0.00 4.11 -1.17 -2.57 114.58 114.78 2jya h GLU 62 Ca -0.10 -0.41 0.02 0.00 0.07 0.00 0.00 59.36 58.94 2jya h GLU 62 Cb 1.45 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.70 2jya h GLU 62 CO 0.13 1.03 0.44 0.00 0.07 0.00 0.00 179.01 180.68 2jya h ALA 63 N 0.90 1.58 0.63 1.06 0.00 -1.46 -1.36 119.26 120.61 2jya h ALA 63 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jya h ALA 63 Cb 1.04 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2jya h ALA 63 CO 0.10 0.36 -0.30 -0.92 0.00 0.00 0.00 179.25 178.49 2jya h TYR 64 N 0.84 -0.78 -0.51 0.00 3.20 -1.37 -1.73 116.97 116.61 2jya h TYR 64 Ca 0.26 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.20 2jya h TYR 64 Cb -0.01 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.45 2jya h TYR 64 CO -0.00 -0.45 0.07 0.00 -1.64 0.00 0.00 178.16 176.14 2jya h ALA 65 N -0.69 0.55 -0.41 1.82 0.00 -1.38 -2.71 119.26 116.44 2jya h ALA 65 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jya h ALA 65 Cb 0.69 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2jya h ALA 65 CO 0.14 -0.34 0.27 1.96 0.00 0.00 0.00 179.25 181.29 2jya h GLN 66 N 0.19 0.54 -0.10 0.00 4.20 -1.23 0.38 115.11 119.10 2jya h GLN 66 Ca 0.26 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 2jya h GLN 66 Cb 0.38 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2jya h GLN 66 CO -0.37 0.36 0.04 -0.09 -0.67 0.00 0.00 178.83 178.10 2jya h ARG 67 N 0.56 0.13 0.00 1.46 2.43 -1.04 -1.31 114.38 116.61 2jya h ARG 67 Ca 0.15 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2jya h ARG 67 Cb -0.06 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2jya h ARG 67 CO -0.03 0.11 -0.86 0.87 -1.51 0.00 0.00 179.97 178.55 2jya h LYS 68 N 0.13 0.00 0.00 0.20 1.79 -1.15 -3.48 116.57 114.07 2jya h LYS 68 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2jya h LYS 68 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2jya h LYS 68 CO -0.00 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.84 2jya n GLY 69 N 1.20 0.56 3.59 3.86 0.00 -0.10 -5.04 105.19 109.27 2jya n GLY 69 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.28 3.18 0.36 -0.61 1.01 0.11 -4.91 121.20 118.06 2jya s ILE 70 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.55 2jya s ILE 70 Cb 0.00 -3.26 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 2jya s ILE 70 CO 0.00 -0.18 1.39 -1.84 0.00 0.00 0.00 174.94 174.31 2jya n GLU 71 N 8.68 2.40 -3.91 2.79 0.28 -1.15 -4.06 120.64 125.68 2jya n GLU 71 Ca 0.28 0.84 -0.10 0.00 -0.16 0.00 0.00 57.16 58.01 2jya n GLU 71 Cb 0.47 -2.50 -0.11 0.00 1.43 0.00 0.00 31.44 30.73 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 -1.10 0.11 -0.25 -1.84 1.13 -1.26 -1.02 117.35 113.11 2jya s TYR 72 Ca 0.54 -0.23 0.03 0.00 -1.41 0.00 0.00 57.07 56.00 2jya s TYR 72 Cb -0.52 -0.09 0.06 0.00 -1.10 0.00 0.00 41.96 40.31 2jya s TYR 72 CO 0.63 -0.19 -0.10 0.50 -2.51 0.00 0.00 175.55 173.87 2jya s ARG 73 N -1.11 2.15 0.08 -3.49 3.00 -0.16 -4.94 118.95 114.48 2jya s ARG 73 Ca -0.12 -1.26 -0.26 0.00 -1.00 0.00 0.00 55.73 53.09 2jya s ARG 73 Cb -0.07 -2.82 -0.06 0.00 0.00 0.00 0.00 34.95 32.00 2jya s ARG 73 CO 0.00 -0.56 0.80 0.08 0.00 0.00 0.00 175.30 175.63 2jya s VAL 74 N 1.16 4.62 -0.10 7.11 1.01 -1.26 -2.19 120.40 130.75 2jya s VAL 74 Ca -0.08 1.73 0.03 0.00 0.00 0.00 0.00 61.98 63.66 2jya s VAL 74 Cb -0.20 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2jya s VAL 74 CO -0.06 0.38 -0.21 -0.63 0.00 0.00 0.00 175.10 174.58 2jya s ILE 75 N -0.24 1.88 0.27 2.22 1.01 0.07 -4.94 121.20 121.47 2jya s ILE 75 Ca 0.40 -0.91 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 2jya s ILE 75 Cb -0.21 -1.65 -0.12 0.00 0.01 0.00 0.00 42.46 40.49 2jya s ILE 75 CO 0.25 0.52 1.62 0.18 0.00 0.00 0.00 174.94 177.51 2jya n LEU 76 N 3.67 4.25 -4.83 2.97 4.77 -1.26 -4.41 117.00 122.16 2jya n LEU 76 Ca -0.20 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.62 2jya n LEU 76 Cb 0.53 -1.59 0.15 0.00 -2.33 0.00 0.00 43.42 40.18 2jya n LEU 76 CO 0.27 0.15 0.76 -2.16 -1.33 0.00 0.00 177.39 175.08 2jya s PRO 77 N -0.11 0.96 0.52 3.23 0.04 -1.26 -4.89 135.00 133.49 2jya s PRO 77 Ca 0.67 0.05 0.23 0.00 0.04 0.00 0.00 61.00 61.99 2jya s PRO 77 Cb -0.50 -1.84 1.43 0.00 0.04 0.00 0.00 34.50 33.63 2jya s PRO 77 CO 0.45 -2.27 2.12 1.57 0.04 0.00 0.00 177.00 178.90 2jya h LYS 78 N -1.55 0.00 0.00 4.56 5.09 -1.93 -2.29 116.57 120.45 2jya h LYS 78 Ca -0.47 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.18 2jya h LYS 78 Cb 1.30 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.62 2jya h LYS 78 CO 0.54 0.08 -0.41 1.05 -2.09 0.00 0.00 179.45 178.62 2jya h GLU 79 N 0.00 0.00 0.00 0.07 4.11 -1.93 -3.52 114.58 113.30 2jya h GLU 79 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jya h GLU 79 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2jya h GLU 79 CO 0.01 0.41 0.00 0.00 0.07 0.00 0.00 179.01 179.50