#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujs n SER 2 N 0.00 -2.56 -4.78 1.61 7.64 -1.26 -4.93 113.62 109.34 1ujs n SER 2 Ca 0.00 -1.07 -0.23 0.00 1.01 0.00 0.00 58.87 58.59 1ujs n SER 2 Cb 0.00 -2.53 -0.05 0.00 -1.01 0.00 0.00 64.21 60.62 1ujs n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujs s SER 3 N -3.44 4.82 0.43 6.43 0.01 -1.26 -5.13 113.70 115.57 1ujs s SER 3 Ca 0.65 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 57.08 1ujs s SER 3 Cb -0.36 -0.72 -0.05 0.00 0.21 0.00 0.00 66.02 65.10 1ujs s SER 3 CO 0.95 -0.39 0.77 -0.83 0.41 0.00 0.00 173.24 174.14 1ujs s GLY 4 N -3.93 1.75 0.00 3.44 0.00 -1.26 -5.01 107.32 102.31 1ujs s GLY 4 Ca 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1ujs s GLY 4 CO 0.24 -0.17 0.00 -1.14 0.00 0.00 0.00 173.10 172.03 1ujs n SER 5 N -1.70 0.23 -3.53 1.64 3.41 -1.26 -5.04 113.62 107.37 1ujs n SER 5 Ca 0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.38 1ujs n SER 5 Cb 0.54 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.55 1ujs n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ujs n SER 6 N -2.75 -5.94 -4.60 4.04 7.64 -1.26 -4.92 113.62 105.83 1ujs n SER 6 Ca 0.00 -0.53 -0.43 0.00 1.01 0.00 0.00 58.87 58.93 1ujs n SER 6 Cb 0.31 -4.71 -0.03 0.00 -1.01 0.00 0.00 64.21 58.77 1ujs n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujs s GLY 7 N -3.16 1.48 -0.36 0.23 0.00 -1.26 -5.01 107.32 99.25 1ujs s GLY 7 Ca 0.54 -0.43 -0.17 0.00 0.00 0.00 0.00 44.72 44.66 1ujs s GLY 7 CO 0.66 2.18 0.45 -1.31 0.00 0.00 0.00 173.10 175.08 1ujs s ASN 8 N 2.04 6.25 -0.22 1.64 0.01 -1.26 -5.02 114.94 118.38 1ujs s ASN 8 Ca 0.42 -0.19 -0.28 0.00 -0.71 0.00 0.00 52.86 52.10 1ujs s ASN 8 Cb -0.10 -2.24 0.14 0.00 0.41 0.00 0.00 41.25 39.46 1ujs s ASN 8 CO 0.23 -0.44 1.10 0.00 -1.51 0.00 0.00 177.10 176.47 1ujs s ALA 9 N 2.22 -2.00 0.60 0.60 0.00 -1.26 -4.61 121.76 117.31 1ujs s ALA 9 Ca 0.15 1.71 0.26 0.00 0.00 0.00 0.00 51.96 54.09 1ujs s ALA 9 Cb -0.16 -1.12 0.90 0.00 0.00 0.00 0.00 23.12 22.74 1ujs s ALA 9 CO 0.13 -0.26 1.27 1.33 0.00 0.00 0.00 175.76 178.23 1ujs n VAL 10 N 1.18 0.00 -2.67 0.00 0.24 -1.24 -4.69 118.33 111.15 1ujs n VAL 10 Ca -0.09 1.24 -0.19 0.00 -2.04 0.00 0.00 64.34 63.25 1ujs n VAL 10 Cb 0.57 -2.22 0.00 0.00 -1.47 0.00 0.00 33.84 30.73 1ujs n VAL 10 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1ujs n ASN 11 N -3.21 -5.20 -4.72 -1.34 2.85 -1.26 -4.91 115.26 97.47 1ujs n ASN 11 Ca 0.23 -0.07 -0.42 0.00 -0.11 0.00 0.00 54.58 54.22 1ujs n ASN 11 Cb 1.52 -4.30 -0.03 0.00 1.24 0.00 0.00 39.78 38.20 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1ujs s TRP 12 N -2.95 3.23 0.30 1.20 0.52 -1.25 -4.92 118.94 115.07 1ujs s TRP 12 Ca 0.12 1.01 0.04 0.00 0.02 0.00 0.00 56.10 57.28 1ujs s TRP 12 Cb -0.06 -3.68 0.48 0.00 -1.15 0.00 0.00 33.47 29.07 1ujs s TRP 12 CO 0.15 -2.31 1.76 0.78 0.02 0.00 0.00 176.95 177.35 1ujs h GLY 13 N 6.41 0.47 0.00 0.98 0.00 -2.03 -3.34 103.07 105.56 1ujs h GLY 13 Ca -0.43 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1ujs h GLY 13 CO 0.84 0.33 0.00 1.03 0.00 0.00 0.00 176.54 178.74 1ujs n MET 14 N -4.15 0.00 -2.97 4.80 2.81 -1.26 -4.99 117.12 111.36 1ujs n MET 14 Ca -0.00 0.38 -0.14 0.00 -1.81 0.00 0.00 57.70 56.12 1ujs n MET 14 Cb 0.38 -1.06 -0.02 0.00 -0.71 0.00 0.00 33.22 31.81 1ujs n MET 14 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ujs n ARG 15 N -1.63 1.24 -3.81 0.03 5.12 -1.25 -5.12 116.66 111.23 1ujs n ARG 15 Ca 0.00 -1.75 -0.30 0.00 -1.93 0.00 0.00 57.85 53.87 1ujs n ARG 15 Cb 0.00 0.33 -0.14 0.00 -1.16 0.00 0.00 32.46 31.49 1ujs n ARG 15 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ujs s GLU 16 N -3.01 1.31 -0.53 5.56 2.12 -1.26 -3.93 118.70 118.96 1ujs s GLU 16 Ca 0.08 -1.88 -0.18 0.00 0.36 0.00 0.00 54.97 53.35 1ujs s GLU 16 Cb -0.01 -2.59 0.09 0.00 0.26 0.00 0.00 34.13 31.89 1ujs s GLU 16 CO 0.05 -1.07 0.57 0.71 -0.54 0.00 0.00 175.26 174.98 1ujs s TYR 17 N 0.62 3.12 0.41 5.30 2.02 -1.26 -5.00 117.35 122.55 1ujs s TYR 17 Ca 0.15 -0.93 -0.26 0.00 -0.37 0.00 0.00 57.07 55.66 1ujs s TYR 17 Cb -0.22 -3.67 -0.10 0.00 -0.40 0.00 0.00 41.96 37.57 1ujs s TYR 17 CO -0.07 -1.06 1.29 1.17 -1.57 0.00 0.00 175.55 175.31 1ujs n LYS 18 N 5.81 2.00 -2.02 -0.62 4.81 -1.26 -3.61 118.16 123.27 1ujs n LYS 18 Ca -0.10 0.71 -0.42 0.00 -0.87 0.00 0.00 58.31 57.62 1ujs n LYS 18 Cb 0.43 -2.40 -0.03 0.00 0.02 0.00 0.00 35.03 33.06 1ujs n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ujs s ILE 19 N -1.18 3.47 0.08 3.15 -1.09 -1.26 -4.66 121.20 119.72 1ujs s ILE 19 Ca 0.60 0.46 0.10 0.00 -2.23 0.00 0.00 60.65 59.57 1ujs s ILE 19 Cb -0.51 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 1ujs s ILE 19 CO 0.59 -0.51 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.24 1ujs s TYR 20 N 7.25 2.38 0.33 3.97 2.02 0.15 -5.01 117.35 128.44 1ujs s TYR 20 Ca 0.77 -0.36 -0.28 0.00 -0.37 0.00 0.00 57.07 56.83 1ujs s TYR 20 Cb -0.20 -1.35 -0.10 0.00 -0.40 0.00 0.00 41.96 39.92 1ujs s TYR 20 CO 0.31 0.25 1.22 -1.25 -1.57 0.00 0.00 175.55 174.51 1ujs s PRO 21 N -1.67 4.38 0.24 -1.71 0.04 -1.26 -4.16 135.00 130.86 1ujs s PRO 21 Ca 0.14 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 1ujs s PRO 21 Cb -0.10 -3.04 0.40 0.00 0.04 0.00 0.00 34.50 31.80 1ujs s PRO 21 CO 0.05 -0.09 1.65 -0.92 0.04 0.00 0.00 177.00 177.72 1ujs h TYR 22 N 3.37 -0.02 -0.16 0.56 3.20 -1.92 0.22 116.97 122.22 1ujs h TYR 22 Ca -0.48 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.45 1ujs h TYR 22 Cb 1.22 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 1ujs h TYR 22 CO 0.56 -0.21 -0.11 1.05 -1.64 0.00 0.00 178.16 177.82 1ujs h GLU 23 N 0.12 -0.02 0.00 1.82 4.11 -1.99 0.36 114.58 118.98 1ujs h GLU 23 Ca 0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.81 1ujs h GLU 23 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ujs h GLU 23 CO -0.62 -0.01 -0.07 1.37 0.07 0.00 0.00 179.01 179.76 1ujs h LEU 24 N -0.02 0.00 -0.40 3.06 8.10 -1.74 -1.90 115.31 122.41 1ujs h LEU 24 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.02 1ujs h LEU 24 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1ujs h LEU 24 CO -0.16 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.42 1ujs n LEU 25 N -3.27 0.57 -4.74 0.17 4.77 0.10 -2.14 117.00 112.46 1ujs n LEU 25 Ca -0.01 -0.28 -0.29 0.00 -0.03 0.00 0.00 56.01 55.40 1ujs n LEU 25 Cb 0.27 -0.09 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 1ujs n LEU 25 CO 0.28 0.14 0.68 -0.76 -1.33 0.00 0.00 177.39 176.39 1ujs s LEU 26 N -0.96 1.78 -0.19 2.23 1.43 0.15 -4.59 118.68 118.53 1ujs s LEU 26 Ca 0.06 1.03 0.19 0.00 -1.03 0.00 0.00 54.13 54.38 1ujs s LEU 26 Cb 0.03 -3.26 0.47 0.00 0.03 0.00 0.00 46.19 43.46 1ujs s LEU 26 CO 0.04 -2.86 1.15 0.55 0.23 0.00 0.00 176.35 175.46 1ujs n VAL 27 N -3.98 1.29 -1.62 -1.59 3.14 0.72 -4.67 118.33 111.62 1ujs n VAL 27 Ca 0.06 -2.71 -0.49 0.00 -2.96 0.00 0.00 64.34 58.24 1ujs n VAL 27 Cb 0.58 0.60 -0.04 0.00 -1.06 0.00 0.00 33.84 33.92 1ujs n VAL 27 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1ujs n THR 28 N -0.40 0.42 -0.00 1.55 -2.24 -1.26 -4.94 114.28 107.41 1ujs n THR 28 Ca 0.15 -0.10 -0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1ujs n THR 28 Cb 0.91 -1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1ujs n THR 28 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ujs h THR 29 N 3.15 0.00 0.00 4.28 2.02 -1.98 -3.40 112.91 116.98 1ujs h THR 29 Ca -0.45 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 66.46 1ujs h THR 29 Cb 1.31 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1ujs h THR 29 CO 0.77 0.00 -0.91 0.08 0.37 0.00 0.00 175.52 175.83 1ujs h ARG 30 N -0.16 0.00 0.00 6.66 -0.00 -2.07 -3.46 114.38 115.35 1ujs h ARG 30 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1ujs h ARG 30 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.98 1ujs h ARG 30 CO 0.00 0.38 0.00 0.41 -0.00 0.00 0.00 179.97 180.77 1ujs n GLY 31 N 1.29 -1.85 2.84 0.08 0.00 -1.26 -5.04 105.19 101.26 1ujs n GLY 31 Ca -0.03 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 1ujs n GLY 31 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ujs s ARG 32 N 0.00 1.13 0.06 1.61 1.70 -1.26 -4.99 118.95 117.20 1ujs s ARG 32 Ca 0.00 -0.17 0.03 0.00 -0.47 0.00 0.00 55.73 55.12 1ujs s ARG 32 Cb 0.00 -1.46 -0.04 0.00 -0.57 0.00 0.00 34.95 32.88 1ujs s ARG 32 CO 0.00 -0.33 0.01 0.54 -1.08 0.00 0.00 175.30 174.45 1ujs s ASN 33 N 1.80 5.13 -0.31 -2.89 2.20 -1.26 -4.82 114.94 114.79 1ujs s ASN 33 Ca 0.04 -0.09 0.07 0.00 -0.94 0.00 0.00 52.86 51.93 1ujs s ASN 33 Cb -0.13 -1.29 0.46 0.00 -2.00 0.00 0.00 41.25 38.29 1ujs s ASN 33 CO -0.07 0.21 1.23 -1.14 -2.94 0.00 0.00 177.10 174.39 1ujs n ARG 34 N 0.85 3.58 -2.06 3.55 3.00 -1.24 -5.05 116.66 119.29 1ujs n ARG 34 Ca -0.12 -4.13 -0.42 0.00 -0.00 0.00 0.00 57.85 53.18 1ujs n ARG 34 Cb 0.52 -2.28 -0.03 0.00 0.00 0.00 0.00 32.46 30.67 1ujs n ARG 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ujs s LEU 35 N -3.61 4.36 0.00 6.15 1.43 -0.91 -4.69 118.68 121.41 1ujs s LEU 35 Ca 0.52 2.43 -0.05 0.00 -1.03 0.00 0.00 54.13 55.99 1ujs s LEU 35 Cb 0.41 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 43.13 1ujs s LEU 35 CO 0.03 -0.76 0.27 -0.81 0.23 0.00 0.00 176.35 175.32 1ujs n PRO 36 N 4.36 -1.56 -0.50 1.29 -0.04 -1.26 -4.96 135.00 132.33 1ujs n PRO 36 Ca 0.13 -0.44 0.09 0.00 -0.04 0.00 0.00 63.50 63.25 1ujs n PRO 36 Cb 0.41 -0.41 0.31 0.00 -0.04 0.00 0.00 33.50 33.77 1ujs n PRO 36 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ujs n LYS 37 N -2.34 3.41 -0.16 0.54 2.85 -1.26 -4.20 118.16 116.99 1ujs n LYS 37 Ca 0.04 -2.73 0.05 0.00 -1.05 0.00 0.00 58.31 54.61 1ujs n LYS 37 Cb 0.15 -1.75 0.06 0.00 -0.65 0.00 0.00 35.03 32.84 1ujs n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ujs n ASP 38 N 0.92 1.45 -4.89 -5.58 2.03 -1.26 -5.06 116.55 104.15 1ujs n ASP 38 Ca 0.23 -2.40 -0.24 0.00 0.52 0.00 0.00 54.79 52.90 1ujs n ASP 38 Cb 0.79 -0.25 -0.04 0.00 -0.72 0.00 0.00 41.12 40.90 1ujs n ASP 38 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ujs s VAL 39 N -1.51 4.92 -0.33 5.18 -7.23 -1.26 -4.48 120.40 115.68 1ujs s VAL 39 Ca 0.15 -1.02 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 1ujs s VAL 39 Cb 0.13 -3.60 0.04 0.00 0.56 0.00 0.00 36.38 33.51 1ujs s VAL 39 CO 0.01 -0.22 0.08 -0.62 -0.31 0.00 0.00 175.10 174.04 1ujs s ASP 40 N -3.55 5.22 0.45 4.85 -1.08 -1.26 -4.95 116.67 116.35 1ujs s ASP 40 Ca 0.33 -1.18 0.16 0.00 -0.52 0.00 0.00 52.55 51.34 1ujs s ASP 40 Cb -0.10 -1.83 0.90 0.00 -1.46 0.00 0.00 42.92 40.43 1ujs s ASP 40 CO 0.27 -0.31 1.43 0.03 0.52 0.00 0.00 175.17 177.10 1ujs h ARG 41 N 8.17 0.00 0.00 4.34 2.47 -1.98 1.52 114.38 128.90 1ujs h ARG 41 Ca -0.23 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.43 1ujs h ARG 41 Cb 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1ujs h ARG 41 CO 0.59 0.00 -1.95 0.25 0.56 0.00 0.00 179.97 179.42 1ujs n THR 42 N -2.31 0.23 -1.47 2.04 -2.24 -1.26 -3.38 114.28 105.89 1ujs n THR 42 Ca -0.01 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1ujs n THR 42 Cb 0.41 -0.05 0.16 0.00 -2.10 0.00 0.00 70.33 68.75 1ujs n THR 42 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ujs n ARG 43 N -2.27 1.30 -0.33 -0.78 5.12 0.29 -4.78 116.66 115.21 1ujs n ARG 43 Ca -0.08 -2.84 0.12 0.00 -1.93 0.00 0.00 57.85 53.12 1ujs n ARG 43 Cb 0.61 -1.42 0.34 0.00 -1.16 0.00 0.00 32.46 30.83 1ujs n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1ujs h LEU 44 N 0.57 0.75 -1.16 0.55 3.38 0.15 0.11 115.31 119.66 1ujs h LEU 44 Ca -0.01 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1ujs h LEU 44 Cb 1.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1ujs h LEU 44 CO 0.01 0.32 0.11 1.05 0.09 0.00 0.00 178.44 180.02 1ujs h GLU 45 N 0.76 0.70 0.00 1.13 4.11 -1.84 -1.58 114.58 117.85 1ujs h GLU 45 Ca 0.53 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1ujs h GLU 45 Cb 0.82 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ujs h GLU 45 CO -0.30 0.64 0.00 0.00 0.07 0.00 0.00 179.01 179.42 1ujs h ARG 46 N 0.68 0.00 -0.00 1.06 3.08 -1.14 -0.13 114.38 117.93 1ujs h ARG 46 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1ujs h ARG 46 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ujs h ARG 46 CO -0.00 0.00 -0.01 0.72 -1.07 0.00 0.00 179.97 179.61 1ujs n HIS 47 N -3.01 0.00 -3.46 3.04 8.25 -0.59 -4.77 115.22 114.68 1ujs n HIS 47 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1ujs n HIS 47 Cb 0.14 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 1ujs n HIS 47 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ujs s LEU 48 N -2.24 4.23 0.35 2.41 1.43 -0.06 0.34 118.68 125.14 1ujs s LEU 48 Ca 0.39 0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 53.78 1ujs s LEU 48 Cb 0.21 -2.47 -0.11 0.00 0.03 0.00 0.00 46.19 43.86 1ujs s LEU 48 CO 0.41 0.05 1.46 -0.94 0.23 0.00 0.00 176.35 177.56 1ujs s SER 49 N 0.62 6.45 0.61 2.29 1.04 -1.26 -4.27 113.70 119.18 1ujs s SER 49 Ca 0.19 2.95 0.25 0.00 0.48 0.00 0.00 55.95 59.81 1ujs s SER 49 Cb -0.14 -2.66 0.86 0.00 0.10 0.00 0.00 66.02 64.18 1ujs s SER 49 CO 0.06 -0.80 1.29 1.56 0.98 0.00 0.00 173.24 176.32 1ujs h GLN 50 N 3.44 0.00 -0.01 4.02 4.20 -1.96 1.31 115.11 126.11 1ujs h GLN 50 Ca -0.50 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.13 1ujs h GLN 50 Cb 1.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.02 1ujs h GLN 50 CO 0.67 0.00 -0.32 0.93 -0.67 0.00 0.00 178.83 179.45 1ujs h GLU 51 N 0.00 0.23 0.00 1.46 5.08 -1.98 -3.29 114.58 116.09 1ujs h GLU 51 Ca 0.46 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1ujs h GLU 51 Cb 2.86 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 32.16 1ujs h GLU 51 CO -0.00 0.95 -0.31 0.93 -1.00 0.00 0.00 179.01 179.57 1ujs h GLU 52 N -0.39 0.00 -1.58 2.33 4.39 0.11 -3.16 114.58 116.28 1ujs h GLU 52 Ca -0.04 0.00 0.48 0.00 0.34 0.00 0.00 59.36 60.15 1ujs h GLU 52 Cb 1.05 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.61 1ujs h GLU 52 CO 0.06 0.69 1.10 0.34 -1.16 0.00 0.00 179.01 180.04 1ujs n PHE 53 N -4.61 0.23 0.09 4.33 -0.00 0.13 0.23 117.46 117.85 1ujs n PHE 53 Ca -0.12 0.23 -0.23 0.00 -0.00 0.00 0.00 57.45 57.33 1ujs n PHE 53 Cb 0.40 -0.67 -0.15 0.00 -0.00 0.00 0.00 39.48 39.06 1ujs n PHE 53 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ujs h TYR 54 N 0.00 0.77 0.00 -5.13 5.03 -1.61 -2.53 116.97 113.50 1ujs h TYR 54 Ca 0.82 -0.56 0.00 0.00 2.58 0.00 0.00 58.73 61.57 1ujs h TYR 54 Cb 3.08 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.33 1ujs h TYR 54 CO -0.00 1.65 0.00 1.96 -1.32 0.00 0.00 178.16 180.45 1ujs h GLN 55 N 0.12 0.00 0.00 1.82 4.20 0.28 1.80 115.11 123.32 1ujs h GLN 55 Ca -0.33 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 1ujs h GLN 55 Cb 2.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.89 1ujs h GLN 55 CO 0.20 0.00 -1.08 0.28 -0.67 0.00 0.00 178.83 177.56 1ujs n VAL 56 N -2.49 1.49 0.08 -0.54 0.31 -0.17 -4.64 118.33 112.37 1ujs n VAL 56 Ca -0.00 0.09 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 1ujs n VAL 56 Cb 0.14 -2.29 -0.13 0.00 -0.91 0.00 0.00 33.84 30.64 1ujs n VAL 56 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1ujs h PHE 57 N -1.00 0.31 0.00 3.52 -1.00 -1.45 -3.48 116.94 113.84 1ujs h PHE 57 Ca -0.09 -0.23 0.00 0.00 2.81 0.00 0.00 57.97 60.46 1ujs h PHE 57 Cb 0.98 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.52 1ujs h PHE 57 CO -0.33 1.19 0.00 0.41 -1.61 0.00 0.00 178.31 177.97 1ujs n GLY 58 N 1.48 1.23 3.81 -1.45 0.00 0.61 -5.04 105.19 105.83 1ujs n GLY 58 Ca -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 1ujs n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ujs s MET 59 N -0.64 1.53 0.02 1.61 0.23 -1.18 -4.99 119.30 115.88 1ujs s MET 59 Ca 0.00 -0.91 -0.13 0.00 -1.03 0.00 0.00 55.69 53.62 1ujs s MET 59 Cb 0.00 0.48 -0.06 0.00 -1.53 0.00 0.00 34.83 33.72 1ujs s MET 59 CO 0.00 -0.71 0.40 0.95 -2.03 0.00 0.00 175.02 173.63 1ujs s THR 60 N -2.95 5.06 0.35 3.16 -4.23 -1.26 -3.31 115.64 112.46 1ujs s THR 60 Ca 0.15 0.71 0.20 0.00 -1.18 0.00 0.00 61.69 61.57 1ujs s THR 60 Cb -0.03 -3.68 0.34 0.00 1.34 0.00 0.00 72.50 70.46 1ujs s THR 60 CO 0.06 0.49 1.48 0.00 -0.54 0.00 0.00 174.62 176.11 1ujs n ILE 61 N 1.54 -0.38 -0.28 2.99 0.13 -1.26 0.18 119.36 122.28 1ujs n ILE 61 Ca -0.12 1.89 -0.00 0.00 -1.10 0.00 0.00 62.75 63.42 1ujs n ILE 61 Cb 0.52 -3.08 0.12 0.00 -0.84 0.00 0.00 39.64 36.37 1ujs n ILE 61 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 1ujs h SER 62 N 0.00 0.72 0.59 9.51 0.87 -2.00 -0.29 113.55 122.94 1ujs h SER 62 Ca 0.80 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 61.13 1ujs h SER 62 Cb 2.15 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.98 1ujs h SER 62 CO -0.71 0.46 -1.11 -0.33 -0.53 0.00 0.00 176.83 174.61 1ujs h GLU 63 N 0.85 0.27 -0.32 2.24 4.39 0.15 -3.26 114.58 118.89 1ujs h GLU 63 Ca 0.34 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1ujs h GLU 63 Cb 0.18 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1ujs h GLU 63 CO -0.18 1.15 0.20 0.35 -1.16 0.00 0.00 179.01 179.37 1ujs h PHE 64 N 0.11 0.42 0.00 4.33 3.57 -0.40 -1.29 116.94 123.68 1ujs h PHE 64 Ca -0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1ujs h PHE 64 Cb 1.81 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.41 1ujs h PHE 64 CO 0.05 0.29 0.00 0.22 -2.23 0.00 0.00 178.31 176.65 1ujs h ASP 65 N 0.42 0.00 -0.23 0.41 3.58 -1.16 -0.11 116.42 119.34 1ujs h ASP 65 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1ujs h ASP 65 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1ujs h ASP 65 CO -0.02 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.88 1ujs n ARG 66 N -2.58 1.85 -2.39 0.28 1.74 -0.49 -4.91 116.66 110.16 1ujs n ARG 66 Ca -0.01 -1.29 -0.25 0.00 -0.77 0.00 0.00 57.85 55.53 1ujs n ARG 66 Cb 0.13 -1.39 0.12 0.00 -1.02 0.00 0.00 32.46 30.30 1ujs n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ujs s LEU 67 N -1.47 2.90 0.21 0.55 1.43 -0.05 -5.06 118.68 117.19 1ujs s LEU 67 Ca 0.32 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.02 1ujs s LEU 67 Cb 0.17 -2.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 1ujs s LEU 67 CO 0.26 -2.05 0.86 0.00 0.23 0.00 0.00 176.35 175.64 1ujs s ALA 68 N -3.34 3.38 0.27 4.21 0.00 -1.26 -4.82 121.76 120.21 1ujs s ALA 68 Ca 0.68 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 53.05 1ujs s ALA 68 Cb -0.05 -3.08 0.46 0.00 0.00 0.00 0.00 23.12 20.44 1ujs s ALA 68 CO 0.46 0.25 1.47 -0.11 0.00 0.00 0.00 175.76 177.83 1ujs n LEU 69 N 1.45 -0.32 -0.36 0.00 -0.00 -1.26 0.17 117.00 116.69 1ujs n LEU 69 Ca -0.03 1.62 -0.01 0.00 -0.00 0.00 0.00 56.01 57.58 1ujs n LEU 69 Cb 0.48 -0.50 0.13 0.00 -0.00 0.00 0.00 43.42 43.54 1ujs n LEU 69 CO 0.48 -1.56 1.29 4.11 -0.00 0.00 0.00 177.39 181.71 1ujs h TRP 70 N 0.00 1.22 -0.21 1.96 5.08 -1.97 0.29 115.95 122.33 1ujs h TRP 70 Ca 0.46 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 60.39 1ujs h TRP 70 Cb 0.73 -0.41 -0.00 0.00 -3.00 0.00 0.00 29.16 26.47 1ujs h TRP 70 CO -0.70 0.76 -0.16 -0.22 -1.28 0.00 0.00 178.44 176.84 1ujs h LYS 71 N 1.31 0.48 0.00 0.12 1.63 0.14 0.81 116.57 121.06 1ujs h LYS 71 Ca 0.37 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1ujs h LYS 71 Cb -0.11 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1ujs h LYS 71 CO -0.09 0.79 -0.21 0.00 -3.45 0.00 0.00 179.45 176.50 1ujs h ARG 72 N 0.17 0.00 0.00 1.90 3.08 -0.11 0.99 114.38 120.42 1ujs h ARG 72 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ujs h ARG 72 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1ujs h ARG 72 CO 0.04 0.21 -1.38 0.09 -1.07 0.00 0.00 179.97 177.86 1ujs n ASN 73 N -4.04 0.47 0.03 7.04 3.02 0.06 -3.91 115.26 117.93 1ujs n ASN 73 Ca -0.02 -0.08 -0.22 0.00 -0.03 0.00 0.00 54.58 54.23 1ujs n ASN 73 Cb 0.28 1.18 -0.14 0.00 -0.61 0.00 0.00 39.78 40.49 1ujs n ASN 73 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ujs h GLU 74 N 0.00 0.30 0.38 3.52 4.81 0.12 -3.27 114.58 120.44 1ujs h GLU 74 Ca 0.00 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1ujs h GLU 74 Cb 0.87 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1ujs h GLU 74 CO 0.00 1.24 -0.18 -0.07 -0.73 0.00 0.00 179.01 179.27 1ujs h LEU 75 N -0.18 -0.43 -0.90 1.64 3.38 -1.01 -2.70 115.31 115.12 1ujs h LEU 75 Ca -0.31 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.82 1ujs h LEU 75 Cb 1.86 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 42.62 1ujs h LEU 75 CO 0.10 -0.27 0.47 0.11 0.09 0.00 0.00 178.44 178.94 1ujs h LYS 76 N -0.55 0.60 -0.53 1.13 1.57 -1.74 0.27 116.57 117.31 1ujs h LYS 76 Ca -0.05 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1ujs h LYS 76 Cb 0.42 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1ujs h LYS 76 CO 0.09 0.39 0.35 0.87 -0.57 0.00 0.00 179.45 180.58 1ujs h LYS 77 N 0.61 0.58 0.00 3.15 1.57 -1.54 0.25 116.57 121.18 1ujs h LYS 77 Ca 0.51 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.14 1ujs h LYS 77 Cb 0.79 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1ujs h LYS 77 CO -0.40 0.38 -0.72 1.96 -0.57 0.00 0.00 179.45 180.10 1ujs h GLN 78 N 0.59 0.00 -0.58 3.15 4.20 -0.28 -3.22 115.11 118.96 1ujs h GLN 78 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1ujs h GLN 78 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1ujs h GLN 78 CO -0.06 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.54 1ujs n ALA 79 N -2.26 2.65 -2.98 3.87 0.00 0.11 -4.91 120.51 117.00 1ujs n ALA 79 Ca -0.01 -1.07 -0.20 0.00 0.00 0.00 0.00 53.44 52.16 1ujs n ALA 79 Cb 0.75 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 19.23 1ujs n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ujs n ARG 80 N 0.99 -3.50 -0.08 0.00 1.74 -0.18 -4.75 116.66 110.89 1ujs n ARG 80 Ca 0.19 0.68 0.03 0.00 -0.77 0.00 0.00 57.85 57.98 1ujs n ARG 80 Cb 0.57 -5.41 0.07 0.00 -1.02 0.00 0.00 32.46 26.67 1ujs n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ujs n LEU 81 N -3.57 2.39 -4.37 0.55 4.77 0.70 0.26 117.00 117.72 1ujs n LEU 81 Ca -0.09 -2.20 -0.32 0.00 -0.03 0.00 0.00 56.01 53.37 1ujs n LEU 81 Cb 0.59 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 1ujs n LEU 81 CO 0.41 0.59 -0.52 0.12 -1.33 0.00 0.00 177.39 176.67 1ujs s PHE 82 N -1.34 2.53 -0.06 -1.77 2.19 -1.13 -4.47 117.98 113.92 1ujs s PHE 82 Ca 0.12 -0.42 -0.01 0.00 0.33 0.00 0.00 56.93 56.95 1ujs s PHE 82 Cb 0.09 -1.60 -0.03 0.00 -1.31 0.00 0.00 43.02 40.17 1ujs s PHE 82 CO 0.05 -0.01 -0.07 0.45 1.83 0.00 0.00 175.22 177.47 1ujs n SER 83 N 2.59 2.06 0.00 6.13 2.88 -1.22 -4.83 113.62 121.23 1ujs n SER 83 Ca -0.17 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1ujs n SER 83 Cb 0.52 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1ujs n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujs n GLY 84 N 2.93 0.90 3.68 0.46 0.00 -1.26 -5.12 105.19 106.78 1ujs n GLY 84 Ca -0.11 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1ujs n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujs s PRO 85 N -0.17 0.44 0.16 1.61 0.04 -1.26 -4.98 135.00 130.85 1ujs s PRO 85 Ca 0.00 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.26 1ujs s PRO 85 Cb 0.00 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 1ujs s PRO 85 CO 0.00 -2.73 1.24 -1.12 0.04 0.00 0.00 177.00 174.44 1ujs s SER 86 N -3.45 7.01 -0.16 6.66 0.01 -1.26 -4.95 113.70 117.55 1ujs s SER 86 Ca 0.65 2.25 -0.20 0.00 1.31 0.00 0.00 55.95 59.96 1ujs s SER 86 Cb -0.19 -2.60 -0.23 0.00 0.21 0.00 0.00 66.02 63.21 1ujs s SER 86 CO 0.58 -0.45 0.41 0.28 0.41 0.00 0.00 173.24 174.46 1ujs h SER 87 N 5.64 0.13 0.00 2.44 0.02 -2.07 -3.56 113.55 116.16 1ujs h SER 87 Ca -0.44 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 59.80 1ujs h SER 87 Cb 1.21 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ujs h SER 87 CO 0.77 1.48 0.00 0.61 -1.14 0.00 0.00 176.83 178.55