#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 3.16 -0.15 7.83 1.04 -1.26 -3.81 113.70 120.51 2jya s SER 2 Ca 0.00 -0.59 -0.09 0.00 0.48 0.00 0.00 55.95 55.76 2jya s SER 2 Cb 0.00 -1.45 -0.04 0.00 0.10 0.00 0.00 66.02 64.62 2jya s SER 2 CO 0.00 0.09 0.15 0.00 0.98 0.00 0.00 173.24 174.46 2jya s ALA 3 N 0.76 3.79 -0.18 5.32 0.00 -0.13 -3.40 121.76 127.91 2jya s ALA 3 Ca -0.08 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2jya s ALA 3 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2jya s ALA 3 CO -0.00 0.41 -0.00 -1.59 0.00 0.00 0.00 175.76 174.57 2jya s LYS 4 N -0.42 3.67 -0.24 0.00 -2.85 0.05 -2.31 119.74 117.64 2jya s LYS 4 Ca 0.12 -0.50 -0.06 0.00 -1.00 0.00 0.00 55.97 54.53 2jya s LYS 4 Cb -0.12 -3.04 -0.03 0.00 -2.06 0.00 0.00 37.83 32.59 2jya s LYS 4 CO 0.02 0.11 0.04 0.42 0.10 0.00 0.00 175.35 176.04 2jya s ILE 5 N 0.74 4.13 0.26 3.79 1.01 -1.00 -2.06 121.20 128.07 2jya s ILE 5 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 2jya s ILE 5 Cb -0.14 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 2jya s ILE 5 CO 0.02 0.37 0.32 -0.72 0.00 0.00 0.00 174.94 174.93 2jya s TYR 6 N 1.47 1.01 -0.33 3.97 1.13 -0.85 -0.54 117.35 123.21 2jya s TYR 6 Ca 0.05 -1.23 -0.01 0.00 -1.41 0.00 0.00 57.07 54.48 2jya s TYR 6 Cb -0.15 -0.28 0.13 0.00 -1.10 0.00 0.00 41.96 40.56 2jya s TYR 6 CO 0.02 -0.87 0.21 0.50 -2.51 0.00 0.00 175.55 172.89 2jya s ARG 7 N -3.78 0.41 0.42 -3.49 3.52 -1.26 -0.13 118.95 114.64 2jya s ARG 7 Ca 0.33 -0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 55.02 2jya s ARG 7 Cb 0.03 -1.14 -0.03 0.00 -1.56 0.00 0.00 34.95 32.26 2jya s ARG 7 CO 0.15 -1.13 0.66 -1.25 -0.81 0.00 0.00 175.30 172.93 2jya s PRO 8 N 1.58 3.38 0.15 5.12 0.04 -1.26 -0.99 135.00 143.02 2jya s PRO 8 Ca 0.14 -0.20 0.06 0.00 0.04 0.00 0.00 61.00 61.04 2jya s PRO 8 Cb -0.19 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.72 2jya s PRO 8 CO -0.16 -0.09 1.34 0.00 0.04 0.00 0.00 177.00 178.13 2jya h ALA 9 N 0.48 0.46 -3.55 8.56 0.00 -1.96 -3.44 119.26 119.80 2jya h ALA 9 Ca -0.48 -0.83 -0.31 0.00 0.00 0.00 0.00 54.91 53.30 2jya h ALA 9 Cb 1.22 -0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.64 2jya h ALA 9 CO 0.60 1.10 -0.75 -1.59 0.00 0.00 0.00 179.25 178.62 2jya s LYS 10 N -2.92 0.50 0.00 0.00 -2.85 -1.26 -5.05 119.74 108.15 2jya s LYS 10 Ca -0.00 -0.48 -0.02 0.00 -1.00 0.00 0.00 55.97 54.46 2jya s LYS 10 Cb 0.10 -0.38 0.01 0.00 -2.06 0.00 0.00 37.83 35.50 2jya s LYS 10 CO 0.82 0.09 0.11 -2.37 0.10 0.00 0.00 175.35 174.10 2jya n THR 11 N 2.20 0.00 -1.68 3.79 5.66 -1.26 -5.08 114.28 117.90 2jya n THR 11 Ca -0.18 -0.02 -0.39 0.00 -3.05 0.00 0.00 64.05 60.41 2jya n THR 11 Cb 0.56 0.05 -0.03 0.00 -1.55 0.00 0.00 70.33 69.37 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jya s ALA 12 N -1.09 2.12 -0.09 1.79 0.00 -1.26 -4.86 121.76 118.37 2jya s ALA 12 Ca 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 2jya s ALA 12 Cb -0.00 -4.23 0.07 0.00 0.00 0.00 0.00 23.12 18.95 2jya s ALA 12 CO 0.00 -3.75 1.95 0.00 0.00 0.00 0.00 175.76 173.96 2jya n MET 13 N 8.91 1.24 -4.47 0.00 0.00 -1.26 -4.82 117.12 116.72 2jya n MET 13 Ca 0.31 -0.47 -0.23 0.00 0.00 0.00 0.00 57.70 57.31 2jya n MET 13 Cb 0.51 -1.19 -0.10 0.00 0.00 0.00 0.00 33.22 32.44 2jya n MET 13 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 2jya s GLN 14 N -0.55 1.65 0.00 3.17 -2.07 -1.26 -4.73 119.66 115.86 2jya s GLN 14 Ca 0.09 -1.83 0.00 0.00 -1.82 0.00 0.00 55.36 51.80 2jya s GLN 14 Cb 0.07 -1.39 0.00 0.00 -1.09 0.00 0.00 33.01 30.60 2jya s GLN 14 CO -0.00 0.10 0.00 0.43 -1.32 0.00 0.00 175.29 174.50 2jya n SER 15 N -0.66 0.00 -3.68 12.60 7.64 -1.26 -4.51 113.62 123.75 2jya n SER 15 Ca -0.05 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.41 2jya n SER 15 Cb 0.63 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 0.00 4.82 2.54 0.23 0.00 -1.26 -4.80 105.19 106.72 2jya n GLY 16 Ca 0.00 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 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 3.06 4.25 -2.08 2.61 -2.24 -1.26 -4.78 114.28 113.84 2jya n THR 17 Ca 0.52 -3.83 -0.27 0.00 -2.27 0.00 0.00 64.05 58.19 2jya n THR 17 Cb 0.32 -1.72 0.07 0.00 -2.10 0.00 0.00 70.33 66.90 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 -1.97 2.96 0.20 6.98 0.00 -1.26 -5.00 121.76 123.67 2jya s ALA 18 Ca 0.55 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 2jya s ALA 18 Cb 0.30 -2.78 0.13 0.00 0.00 0.00 0.00 23.12 20.78 2jya s ALA 18 CO -0.19 -1.36 1.81 0.87 0.00 0.00 0.00 175.76 176.88 2jya h LYS 19 N -0.72 1.00 -6.35 0.00 1.57 -2.04 -3.43 116.57 106.60 2jya h LYS 19 Ca -0.45 -0.12 -0.44 0.00 -1.87 0.00 0.00 60.65 57.77 2jya h LYS 19 Cb 1.31 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 33.43 2jya h LYS 19 CO 0.63 0.75 -0.32 0.95 -0.57 0.00 0.00 179.45 180.89 2jya s THR 20 N -5.82 3.60 0.32 -0.16 -4.23 -1.26 -5.10 115.64 103.00 2jya s THR 20 Ca -0.13 -1.04 -0.29 0.00 -1.18 0.00 0.00 61.69 59.05 2jya s THR 20 Cb 0.14 -3.23 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 2jya s THR 20 CO 0.80 -0.10 1.35 0.20 -0.54 0.00 0.00 174.62 176.33 2jya s ASN 21 N -4.22 6.71 0.49 3.99 -0.87 -1.26 -4.98 114.94 114.79 2jya s ASN 21 Ca 0.48 2.72 0.05 0.00 -1.57 0.00 0.00 52.86 54.54 2jya s ASN 21 Cb -0.09 -2.65 -0.01 0.00 -0.02 0.00 0.00 41.25 38.49 2jya s ASN 21 CO 0.31 -0.60 0.25 0.68 -2.57 0.00 0.00 177.10 175.17 2jya s VAL 22 N -0.92 1.83 -0.21 1.60 -7.23 -1.26 -5.01 120.40 109.19 2jya s VAL 22 Ca 0.51 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.78 2jya s VAL 22 Cb -0.41 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 2jya s VAL 22 CO 0.52 0.00 0.81 0.26 -0.31 0.00 0.00 175.10 176.38 2jya s TRP 23 N -2.72 3.36 -0.15 2.82 0.52 -0.38 -4.26 118.94 118.13 2jya s TRP 23 Ca 0.31 1.16 -0.08 0.00 0.02 0.00 0.00 56.10 57.52 2jya s TRP 23 Cb 0.01 -3.01 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 2jya s TRP 23 CO 0.18 -0.32 0.13 0.08 0.02 0.00 0.00 176.95 177.05 2jya s VAL 24 N 2.49 5.44 -0.32 4.03 1.01 0.82 -1.10 120.40 132.77 2jya s VAL 24 Ca 0.36 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2jya s VAL 24 Cb -0.16 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.89 2jya s VAL 24 CO 0.10 0.56 0.02 -0.22 0.00 0.00 0.00 175.10 175.55 2jya s LEU 25 N -0.55 4.20 -0.11 3.92 2.96 -0.09 -2.01 118.68 127.00 2jya s LEU 25 Ca 0.12 -1.61 0.00 0.00 -0.22 0.00 0.00 54.13 52.42 2jya s LEU 25 Cb -0.12 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 2jya s LEU 25 CO 0.02 -0.32 -0.10 -0.70 -1.32 0.00 0.00 176.35 173.93 2jya s GLU 26 N 1.13 3.16 0.05 1.98 2.12 -0.88 -1.14 118.70 125.13 2jya s GLU 26 Ca -0.01 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.62 2jya s GLU 26 Cb -0.20 -2.63 -0.00 0.00 0.26 0.00 0.00 34.13 31.55 2jya s GLU 26 CO -0.04 0.38 0.16 -0.59 -0.54 0.00 0.00 175.26 174.63 2jya s PHE 27 N -0.07 0.12 -0.57 5.30 -0.71 -1.01 -0.77 117.98 120.28 2jya s PHE 27 Ca -0.01 -0.41 -0.26 0.00 -1.04 0.00 0.00 56.93 55.21 2jya s PHE 27 Cb -0.14 -0.07 -0.08 0.00 -1.21 0.00 0.00 43.02 41.53 2jya s PHE 27 CO 0.03 -0.44 2.34 -0.51 -1.34 0.00 0.00 175.22 175.30 2jya s ASP 28 N -2.27 4.44 0.32 1.98 1.11 -1.22 -3.07 116.67 117.96 2jya s ASP 28 Ca -0.03 0.76 -0.29 0.00 0.18 0.00 0.00 52.55 53.18 2jya s ASP 28 Cb 0.00 -2.51 -0.10 0.00 1.07 0.00 0.00 42.92 41.38 2jya s ASP 28 CO -0.06 -3.01 1.28 0.00 1.18 0.00 0.00 175.17 174.57 2jya s ALA 29 N 12.29 3.49 -1.17 5.23 0.00 -1.20 -4.63 121.76 135.76 2jya s ALA 29 Ca 0.92 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.98 2jya s ALA 29 Cb -0.15 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 2jya s ALA 29 CO 0.21 -0.58 2.31 -0.85 0.00 0.00 0.00 175.76 176.85 2jya n GLU 30 N 0.87 2.51 -3.64 0.00 0.28 -1.26 -4.51 120.64 114.89 2jya n GLU 30 Ca -0.00 -1.97 -0.13 0.00 -0.16 0.00 0.00 57.16 54.90 2jya n GLU 30 Cb 0.42 -2.82 -0.12 0.00 1.43 0.00 0.00 31.44 30.35 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 3.42 -0.46 0.00 3.84 0.11 -1.26 -5.15 120.40 120.90 2jya s VAL 31 Ca 0.53 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 2jya s VAL 31 Cb 0.14 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2jya s VAL 31 CO -0.02 0.09 0.00 -0.81 -3.33 0.00 0.00 175.10 171.03 2jya n PRO 32 N 5.36 1.75 0.29 1.54 -0.04 -1.25 -3.95 135.00 138.69 2jya n PRO 32 Ca -0.06 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.58 2jya n PRO 32 Cb 0.50 0.00 0.92 0.00 -0.04 0.00 0.00 33.50 34.87 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 -4.51 0.54 -0.00 -1.63 -3.28 114.38 105.50 2jya h ARG 33 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 59.98 59.30 2jya h ARG 33 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 29.94 2jya h ARG 33 CO 0.00 0.00 2.72 1.17 -0.00 0.00 0.00 179.97 183.86 2jya n LYS 34 N -3.21 2.63 -1.12 0.08 3.00 -1.26 -4.75 118.16 113.52 2jya n LYS 34 Ca -0.01 -2.59 -0.03 0.00 -0.00 0.00 0.00 58.31 55.67 2jya n LYS 34 Cb 0.31 -3.29 0.02 0.00 0.00 0.00 0.00 35.03 32.07 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 5.64 0.00 -1.68 3.15 -6.64 -1.24 -4.98 119.36 113.61 2jya n ILE 35 Ca 0.51 -0.28 -0.42 0.00 -1.77 0.00 0.00 62.75 60.78 2jya n ILE 35 Cb 0.41 -1.12 -0.03 0.00 -1.44 0.00 0.00 39.64 37.46 2jya n ILE 35 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 2jya s ASP 36 N -1.62 6.43 0.01 7.28 1.11 -1.26 -4.88 116.67 123.74 2jya s ASP 36 Ca 0.10 2.72 0.10 0.00 0.18 0.00 0.00 52.55 55.65 2jya s ASP 36 Cb -0.01 -2.54 0.42 0.00 1.07 0.00 0.00 42.92 41.86 2jya s ASP 36 CO 0.07 -1.04 1.32 -0.81 1.18 0.00 0.00 175.17 175.88 2jya n PRO 37 N 6.84 0.00 -0.27 8.23 -0.04 -1.26 -1.91 135.00 146.60 2jya n PRO 37 Ca 0.19 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2jya n PRO 37 Cb 0.40 -1.51 0.13 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.97 0.00 0.52 1.08 -2.05 -3.01 117.51 115.02 2jya h ILE 38 Ca 0.00 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2jya h ILE 38 Cb 0.17 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 2jya h ILE 38 CO 0.00 0.15 -0.42 0.23 -0.69 0.00 0.00 178.15 177.41 2jya n MET 39 N -4.73 1.48 0.00 2.37 2.81 -0.80 -4.81 117.12 113.44 2jya n MET 39 Ca 0.11 -3.13 0.14 0.00 -1.81 0.00 0.00 57.70 53.02 2jya n MET 39 Cb 0.20 -1.55 0.63 0.00 -0.71 0.00 0.00 33.22 31.80 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 -1.13 -0.62 3.57 3.03 0.00 -1.00 -4.69 105.19 104.36 2jya n GLY 40 Ca 0.18 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2jya n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jya s TYR 41 N -2.22 2.15 -0.30 1.61 5.04 -1.26 -4.74 117.35 117.63 2jya s TYR 41 Ca 0.35 -0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 54.76 2jya s TYR 41 Cb 0.21 -4.24 0.18 0.00 0.35 0.00 0.00 41.96 38.46 2jya s TYR 41 CO 0.41 -1.51 1.08 -0.08 -1.34 0.00 0.00 175.55 174.11 2jya s THR 42 N 8.83 -0.34 0.13 4.34 -1.32 -1.26 -5.08 115.64 120.94 2jya s THR 42 Ca 0.64 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.93 2jya s THR 42 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 2jya s THR 42 CO 0.07 0.00 1.78 0.28 -2.21 0.00 0.00 174.62 174.54 2jya h SER 43 N 7.62 0.24 -3.28 8.08 0.02 -2.01 -3.28 113.55 120.93 2jya h SER 43 Ca -0.14 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.05 2jya h SER 43 Cb 1.14 -0.05 -0.25 0.00 0.14 0.00 0.00 62.40 63.39 2jya h SER 43 CO 0.00 0.18 -0.16 -0.55 -1.14 0.00 0.00 176.83 175.16 2jya s SER 44 N -5.39 6.29 0.93 3.07 0.15 -1.26 -5.08 113.70 112.40 2jya s SER 44 Ca -0.13 -2.02 -0.11 0.00 0.70 0.00 0.00 55.95 54.39 2jya s SER 44 Cb 0.09 -2.20 0.18 0.00 -1.71 0.00 0.00 66.02 62.39 2jya s SER 44 CO 0.70 -0.78 1.12 -1.20 1.20 0.00 0.00 173.24 174.28 2jya n SER 45 N 4.92 0.36 -4.72 5.45 7.64 -1.24 -5.03 113.62 120.99 2jya n SER 45 Ca -0.07 -1.57 -0.42 0.00 1.01 0.00 0.00 58.87 57.82 2jya n SER 45 Cb 0.42 -0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 2jya n SER 45 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jya s ASP 46 N -5.18 6.69 0.28 6.43 1.01 -1.26 -4.87 116.67 119.77 2jya s ASP 46 Ca 0.66 2.53 -0.03 0.00 0.71 0.00 0.00 52.55 56.42 2jya s ASP 46 Cb -0.02 -2.60 0.39 0.00 1.01 0.00 0.00 42.92 41.70 2jya s ASP 46 CO 0.45 -0.72 1.90 0.24 0.21 0.00 0.00 175.17 177.25 2jya h MET 47 N 6.28 1.03 -2.27 8.23 2.86 -1.88 -2.77 114.93 126.41 2jya h MET 47 Ca -0.43 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.04 2jya h MET 47 Cb 1.21 -0.20 -0.23 0.00 0.06 0.00 0.00 31.60 32.44 2jya h MET 47 CO 0.86 0.77 -0.08 -1.59 1.06 0.00 0.00 176.91 177.92 2jya s LYS 48 N -5.66 0.61 -0.33 1.72 0.00 -1.25 -3.96 119.74 110.87 2jya s LYS 48 Ca -0.11 1.00 -0.15 0.00 0.00 0.00 0.00 55.97 56.70 2jya s LYS 48 Cb 0.17 0.14 -0.02 0.00 0.00 0.00 0.00 37.83 38.12 2jya s LYS 48 CO 0.80 -0.14 0.36 1.14 0.00 0.00 0.00 175.35 177.52 2jya s GLN 49 N 1.23 3.64 -0.88 1.78 -2.07 -1.26 -4.87 119.66 117.23 2jya s GLN 49 Ca -0.07 -0.34 -0.25 0.00 -1.82 0.00 0.00 55.36 52.88 2jya s GLN 49 Cb -0.06 -3.78 -0.03 0.00 -1.09 0.00 0.00 33.01 28.05 2jya s GLN 49 CO -0.13 -0.48 1.86 -0.65 -1.32 0.00 0.00 175.29 174.57 2jya s GLN 50 N 2.02 2.71 0.61 9.60 1.11 -1.26 -3.27 119.66 131.19 2jya s GLN 50 Ca 0.12 -0.30 -0.03 0.00 0.01 0.00 0.00 55.36 55.16 2jya s GLN 50 Cb -0.16 -5.01 0.04 0.00 -1.01 0.00 0.00 33.01 26.86 2jya s GLN 50 CO 0.11 -3.13 0.88 0.14 0.01 0.00 0.00 175.29 173.31 2jya s VAL 51 N 9.21 2.82 0.03 1.09 -7.23 -1.17 -4.80 120.40 120.34 2jya s VAL 51 Ca 0.66 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 2jya s VAL 51 Cb -0.06 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 2jya s VAL 51 CO 0.01 -0.12 -0.05 -1.59 -0.31 0.00 0.00 175.10 173.04 2jya s LYS 52 N -4.98 0.40 0.23 4.82 -2.85 -1.26 -2.39 119.74 113.71 2jya s LYS 52 Ca 0.57 -0.57 0.11 0.00 -1.00 0.00 0.00 55.97 55.09 2jya s LYS 52 Cb -0.10 -0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.46 2jya s LYS 52 CO 0.42 0.02 -0.19 -0.51 0.10 0.00 0.00 175.35 175.19 2jya s LEU 53 N -1.20 2.60 -0.10 2.77 2.01 -0.29 -4.96 118.68 119.52 2jya s LEU 53 Ca -0.09 -0.88 0.03 0.00 0.01 0.00 0.00 54.13 53.20 2jya s LEU 53 Cb -0.08 -1.23 0.01 0.00 0.01 0.00 0.00 46.19 44.89 2jya s LEU 53 CO -0.00 0.08 -0.20 0.42 1.01 0.00 0.00 176.35 177.66 2jya s THR 54 N -2.02 1.77 0.10 5.49 -4.23 -1.26 -0.92 115.64 114.57 2jya s THR 54 Ca 0.25 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 2jya s THR 54 Cb -0.07 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 2jya s THR 54 CO 0.13 0.49 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.19 2jya s PHE 55 N 0.58 1.45 0.32 3.99 0.08 -0.26 -4.80 117.98 119.34 2jya s PHE 55 Ca -0.14 -0.49 0.05 0.00 0.12 0.00 0.00 56.93 56.47 2jya s PHE 55 Cb -0.17 -0.78 0.55 0.00 -0.57 0.00 0.00 43.02 42.06 2jya s PHE 55 CO 0.05 0.14 1.80 0.93 -0.10 0.00 0.00 175.22 178.04 2jya h GLU 56 N 3.88 0.40 -4.80 0.44 4.39 -1.97 -1.00 114.58 115.91 2jya h GLU 56 Ca -0.42 -0.12 -0.26 0.00 0.34 0.00 0.00 59.36 58.90 2jya h GLU 56 Cb 1.19 -0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.65 2jya h GLU 56 CO 0.45 0.57 -0.71 0.95 -1.16 0.00 0.00 179.01 179.11 2jya s THR 57 N -4.62 0.85 0.18 1.13 -4.23 -1.26 -4.41 115.64 103.28 2jya s THR 57 Ca -0.06 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 2jya s THR 57 Cb 0.15 -1.67 0.09 0.00 1.34 0.00 0.00 72.50 72.40 2jya s THR 57 CO 0.77 -0.80 1.82 -0.61 -0.54 0.00 0.00 174.62 175.26 2jya h GLN 58 N 3.00 0.63 -0.84 3.99 4.15 -1.94 -2.96 115.11 121.14 2jya h GLN 58 Ca -0.36 -0.04 0.17 0.00 0.77 0.00 0.00 58.65 59.20 2jya h GLN 58 Cb 1.18 -0.14 -0.11 0.00 0.21 0.00 0.00 27.48 28.62 2jya h GLN 58 CO 0.63 0.42 0.38 0.93 -1.93 0.00 0.00 178.83 179.26 2jya h GLU 59 N 0.65 0.47 -0.05 1.69 3.07 -1.98 -0.72 114.58 117.70 2jya h GLU 59 Ca 0.23 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.93 2jya h GLU 59 Cb 0.04 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2jya h GLU 59 CO -0.11 0.31 -0.54 1.96 -1.40 0.00 0.00 179.01 179.23 2jya h GLN 60 N 0.49 0.15 -0.02 2.33 4.20 -1.94 -1.24 115.11 119.08 2jya h GLN 60 Ca 0.49 -0.09 -0.25 0.00 0.06 0.00 0.00 58.65 58.85 2jya h GLN 60 Cb 0.80 0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.61 2jya h GLN 60 CO -0.44 0.66 -0.98 0.00 -0.67 0.00 0.00 178.83 177.40 2jya h ALA 61 N 1.32 0.15 -0.08 3.87 0.00 -1.23 -2.96 119.26 120.33 2jya h ALA 61 Ca -0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 2jya h ALA 61 Cb 1.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jya h ALA 61 CO 0.08 0.66 -0.64 1.05 0.00 0.00 0.00 179.25 180.40 2jya h GLU 62 N 0.39 0.33 -0.91 0.00 4.11 -1.21 -2.59 114.58 114.70 2jya h GLU 62 Ca -0.12 -0.24 0.08 0.00 0.07 0.00 0.00 59.36 59.16 2jya h GLU 62 Cb 1.63 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.85 2jya h GLU 62 CO 0.19 0.86 0.56 0.00 0.07 0.00 0.00 179.01 180.69 2jya h ALA 63 N 1.08 1.28 0.58 1.06 0.00 -1.25 -0.42 119.26 121.60 2jya h ALA 63 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jya h ALA 63 Cb 1.18 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2jya h ALA 63 CO 0.11 0.26 -0.28 -0.92 0.00 0.00 0.00 179.25 178.41 2jya h TYR 64 N 0.97 -0.72 -0.38 0.00 3.20 -1.38 -2.39 116.97 116.28 2jya h TYR 64 Ca 0.41 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.35 2jya h TYR 64 Cb 0.28 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.70 2jya h TYR 64 CO -0.03 -0.41 -0.18 0.00 -1.64 0.00 0.00 178.16 175.91 2jya h ALA 65 N -1.01 0.11 -0.78 1.82 0.00 -1.42 -2.64 119.26 115.35 2jya h ALA 65 Ca -0.08 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2jya h ALA 65 Cb 0.64 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2jya h ALA 65 CO 0.13 -0.55 0.28 1.96 0.00 0.00 0.00 179.25 181.08 2jya h GLN 66 N -0.11 1.19 -0.88 0.00 4.20 -1.16 0.22 115.11 118.56 2jya h GLN 66 Ca 0.19 -0.23 0.13 0.00 0.06 0.00 0.00 58.65 58.80 2jya h GLN 66 Cb 0.40 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 2jya h GLN 66 CO -0.45 0.98 0.57 -0.09 -0.67 0.00 0.00 178.83 179.17 2jya h ARG 67 N 1.15 0.69 0.00 1.46 2.43 -1.16 -2.22 114.38 116.73 2jya h ARG 67 Ca 0.26 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2jya h ARG 67 Cb 0.26 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2jya h ARG 67 CO -0.02 0.45 -1.05 1.63 -1.51 0.00 0.00 179.97 179.48 2jya n LYS 68 N -4.55 0.61 -0.17 0.20 4.76 -0.72 -4.97 118.16 113.32 2jya n LYS 68 Ca 0.17 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2jya n LYS 68 Cb 0.44 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 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 1.19 0.65 3.59 0.72 0.00 0.36 -5.04 105.19 106.66 2jya n GLY 69 Ca -0.00 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 3.24 0.33 -0.61 1.01 0.49 -4.93 121.20 118.45 2jya s ILE 70 Ca 0.00 0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.60 2jya s ILE 70 Cb 0.00 -3.35 -0.12 0.00 0.01 0.00 0.00 42.46 39.00 2jya s ILE 70 CO 0.00 -0.24 1.35 -1.84 0.00 0.00 0.00 174.94 174.21 2jya n GLU 71 N 8.65 2.23 -3.80 2.79 0.00 -1.25 -4.29 120.64 124.98 2jya n GLU 71 Ca 0.27 0.78 -0.12 0.00 0.00 0.00 0.00 57.16 58.10 2jya n GLU 71 Cb 0.47 -2.41 -0.08 0.00 0.00 0.00 0.00 31.44 29.42 2jya n GLU 71 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2jya s TYR 72 N -0.93 -0.05 0.03 -1.84 1.13 -1.26 -0.96 117.35 113.47 2jya s TYR 72 Ca 0.57 -0.05 0.03 0.00 -1.41 0.00 0.00 57.07 56.20 2jya s TYR 72 Cb -0.56 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.32 2jya s TYR 72 CO 0.60 -0.43 -0.10 0.50 -2.51 0.00 0.00 175.55 173.62 2jya s ARG 73 N -2.12 0.64 -0.07 -3.49 3.00 -0.98 -4.97 118.95 110.96 2jya s ARG 73 Ca -0.08 -0.66 -0.02 0.00 -1.00 0.00 0.00 55.73 53.97 2jya s ARG 73 Cb -0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 34.95 34.35 2jya s ARG 73 CO -0.01 0.12 0.02 0.14 0.00 0.00 0.00 175.30 175.57 2jya s VAL 74 N -0.97 4.41 -0.05 7.11 -7.23 -1.26 -2.37 120.40 120.04 2jya s VAL 74 Ca -0.04 -0.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2jya s VAL 74 Cb -0.08 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 2jya s VAL 74 CO 0.01 0.56 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.69 2jya s ILE 75 N -0.94 3.90 0.62 -0.62 1.09 0.29 -4.96 121.20 120.58 2jya s ILE 75 Ca 0.15 -0.50 -0.18 0.00 -1.10 0.00 0.00 60.65 59.02 2jya s ILE 75 Cb -0.11 -2.64 -0.02 0.00 -1.06 0.00 0.00 42.46 38.62 2jya s ILE 75 CO 0.04 0.53 1.19 -0.76 -0.10 0.00 0.00 174.94 175.84 2jya s LEU 76 N -1.05 3.58 1.06 2.97 1.43 -1.26 -4.38 118.68 121.02 2jya s LEU 76 Ca 0.15 2.34 -0.13 0.00 -1.03 0.00 0.00 54.13 55.46 2jya s LEU 76 Cb -0.11 -4.59 0.22 0.00 0.03 0.00 0.00 46.19 41.74 2jya s LEU 76 CO 0.04 -1.69 1.07 -2.16 0.23 0.00 0.00 176.35 173.84 2jya s PRO 77 N -3.50 -0.05 0.54 1.29 0.04 -1.26 -4.45 135.00 127.60 2jya s PRO 77 Ca 0.76 0.58 0.32 0.00 0.04 0.00 0.00 61.00 62.70 2jya s PRO 77 Cb -0.29 -1.68 1.33 0.00 0.04 0.00 0.00 34.50 33.91 2jya s PRO 77 CO 0.36 -3.07 1.97 1.57 0.04 0.00 0.00 177.00 177.87 2jya h LYS 78 N -2.14 0.00 -0.66 4.56 5.09 -1.38 -2.71 116.57 119.32 2jya h LYS 78 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.17 2jya h LYS 78 Cb 1.33 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.66 2jya h LYS 78 CO 0.56 0.03 0.00 -0.85 -2.09 0.00 0.00 179.45 177.10 2jya n GLU 79 N -3.14 2.69 0.00 0.07 0.28 -1.26 -5.01 120.64 114.26 2jya n GLU 79 Ca 0.00 -2.58 0.11 0.00 -0.16 0.00 0.00 57.16 54.53 2jya n GLU 79 Cb 0.32 -1.55 0.64 0.00 1.43 0.00 0.00 31.44 32.28 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97