#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujs s SER 2 N 0.00 6.27 -0.06 1.61 1.04 -1.26 -4.94 113.70 116.36 1ujs s SER 2 Ca 0.00 -1.66 -0.02 0.00 0.48 0.00 0.00 55.95 54.75 1ujs s SER 2 Cb 0.00 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1ujs s SER 2 CO 0.00 -1.02 0.04 -0.44 0.98 0.00 0.00 173.24 172.80 1ujs s SER 3 N 3.49 5.51 0.00 7.02 0.01 -1.26 -4.98 113.70 123.48 1ujs s SER 3 Ca 0.12 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1ujs s SER 3 Cb -0.23 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1ujs s SER 3 CO 0.03 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.63 1ujs n GLY 4 N 1.77 1.71 0.12 3.44 0.00 -1.26 -4.63 105.19 106.34 1ujs n GLY 4 Ca -0.17 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 1ujs n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujs n SER 5 N 0.00 1.86 -3.59 1.61 2.88 -1.26 -4.59 113.62 110.54 1ujs n SER 5 Ca 0.00 -0.12 -0.41 0.00 -1.33 0.00 0.00 58.87 57.02 1ujs n SER 5 Cb 0.00 -0.21 0.01 0.00 -0.75 0.00 0.00 64.21 63.25 1ujs n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujs n SER 6 N -3.15 7.60 -4.33 -3.46 7.64 -1.26 -4.78 113.62 111.87 1ujs n SER 6 Ca -0.42 -3.45 -0.34 0.00 1.01 0.00 0.00 58.87 55.67 1ujs n SER 6 Cb 0.98 -1.25 -0.08 0.00 -1.01 0.00 0.00 64.21 62.85 1ujs n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujs n GLY 7 N 0.74 -0.24 0.11 0.23 0.00 -1.26 -4.82 105.19 99.95 1ujs n GLY 7 Ca 0.53 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.59 1ujs n GLY 7 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ujs h ASN 8 N -1.51 0.25 -3.40 1.61 -0.73 -1.86 -3.46 115.58 106.47 1ujs h ASN 8 Ca -0.63 -0.02 0.10 0.00 1.87 0.00 0.00 56.30 57.62 1ujs h ASN 8 Cb 1.39 -0.06 -0.26 0.00 0.27 0.00 0.00 38.32 39.66 1ujs h ASN 8 CO 0.76 0.20 0.60 0.00 -0.37 0.00 0.00 177.43 178.62 1ujs s ALA 9 N -6.10 -2.01 -0.00 1.57 0.00 -1.26 -4.82 121.76 109.14 1ujs s ALA 9 Ca -0.13 1.74 -0.35 0.00 0.00 0.00 0.00 51.96 53.22 1ujs s ALA 9 Cb 0.08 -1.21 -0.18 0.00 0.00 0.00 0.00 23.12 21.82 1ujs s ALA 9 CO 0.70 -0.25 0.94 1.33 0.00 0.00 0.00 175.76 178.48 1ujs n VAL 10 N 1.38 0.00 -0.90 0.00 0.24 -1.26 -4.80 118.33 112.99 1ujs n VAL 10 Ca -0.10 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.00 1ujs n VAL 10 Cb 0.57 -0.00 0.06 0.00 -1.47 0.00 0.00 33.84 33.00 1ujs n VAL 10 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ujs n ASN 11 N 1.33 6.21 -4.72 -1.34 4.13 -1.26 -4.61 115.26 115.00 1ujs n ASN 11 Ca 0.18 -3.22 -0.42 0.00 1.68 0.00 0.00 54.58 52.80 1ujs n ASN 11 Cb 0.07 -0.98 -0.03 0.00 -1.54 0.00 0.00 39.78 37.30 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1ujs s TRP 12 N -2.31 2.92 0.15 3.10 0.23 -1.26 -4.85 118.94 116.91 1ujs s TRP 12 Ca 0.39 0.44 -0.11 0.00 -2.03 0.00 0.00 56.10 54.80 1ujs s TRP 12 Cb 0.31 -4.04 -0.02 0.00 0.03 0.00 0.00 33.47 29.75 1ujs s TRP 12 CO 0.01 -3.94 1.51 0.78 0.96 0.00 0.00 176.95 176.26 1ujs h GLY 13 N 6.97 1.05 0.75 0.98 0.00 -1.93 -3.29 103.07 107.60 1ujs h GLY 13 Ca -0.43 -1.01 -0.02 0.00 0.00 0.00 0.00 47.33 45.87 1ujs h GLY 13 CO 0.94 0.91 -0.45 0.00 0.00 0.00 0.00 176.54 177.94 1ujs h MET 14 N 0.80 -1.01 -3.73 4.80 -0.00 -2.02 -3.47 114.93 110.30 1ujs h MET 14 Ca 0.08 0.07 -0.09 0.00 -0.00 0.00 0.00 59.70 59.76 1ujs h MET 14 Cb 0.89 0.23 -0.09 0.00 -0.00 0.00 0.00 31.60 32.63 1ujs h MET 14 CO 0.08 -0.67 -0.13 1.03 -0.00 0.00 0.00 176.91 177.22 1ujs s ARG 15 N -5.96 1.61 -0.46 -0.10 1.81 -1.24 -5.13 118.95 109.49 1ujs s ARG 15 Ca -0.18 -1.35 -0.10 0.00 -1.72 0.00 0.00 55.73 52.38 1ujs s ARG 15 Cb 0.04 0.46 0.11 0.00 -0.45 0.00 0.00 34.95 35.11 1ujs s ARG 15 CO 0.61 -0.67 0.34 -2.00 -0.68 0.00 0.00 175.30 172.90 1ujs s GLU 16 N -3.81 2.58 -0.54 3.54 2.12 -1.26 -4.12 118.70 117.20 1ujs s GLU 16 Ca 0.24 -1.65 -0.20 0.00 0.36 0.00 0.00 54.97 53.72 1ujs s GLU 16 Cb -0.00 -3.92 0.07 0.00 0.26 0.00 0.00 34.13 30.53 1ujs s GLU 16 CO 0.11 -1.13 0.70 0.71 -0.54 0.00 0.00 175.26 175.11 1ujs s TYR 17 N 1.41 2.98 0.23 5.30 2.02 -1.26 -5.02 117.35 123.01 1ujs s TYR 17 Ca 0.05 -0.60 -0.31 0.00 -0.37 0.00 0.00 57.07 55.83 1ujs s TYR 17 Cb -0.25 -3.77 -0.14 0.00 -0.40 0.00 0.00 41.96 37.40 1ujs s TYR 17 CO 0.01 -1.18 1.34 1.17 -1.57 0.00 0.00 175.55 175.33 1ujs n LYS 18 N 6.44 1.83 -1.85 -0.62 4.81 -1.26 -4.34 118.16 123.17 1ujs n LYS 18 Ca -0.06 0.65 -0.43 0.00 -0.87 0.00 0.00 58.31 57.60 1ujs n LYS 18 Cb 0.45 -2.26 -0.03 0.00 0.02 0.00 0.00 35.03 33.21 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 -0.12 3.31 0.09 3.15 -1.09 -1.26 -4.72 121.20 120.56 1ujs s ILE 19 Ca 0.69 0.33 0.10 0.00 -2.23 0.00 0.00 60.65 59.54 1ujs s ILE 19 Cb -0.69 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1ujs s ILE 19 CO 0.51 -0.19 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.46 1ujs s TYR 20 N 6.65 2.22 0.26 3.97 2.02 0.14 -5.01 117.35 127.59 1ujs s TYR 20 Ca 0.86 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.87 1ujs s TYR 20 Cb -0.29 -1.25 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 1ujs s TYR 20 CO 0.34 0.23 1.26 -1.25 -1.57 0.00 0.00 175.55 174.56 1ujs s PRO 21 N -1.70 4.43 0.26 -1.71 0.04 -1.26 -4.20 135.00 130.86 1ujs s PRO 21 Ca 0.12 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 1ujs s PRO 21 Cb -0.10 -3.15 0.49 0.00 0.04 0.00 0.00 34.50 31.78 1ujs s PRO 21 CO 0.04 -0.12 1.62 -0.92 0.04 0.00 0.00 177.00 177.66 1ujs h TYR 22 N 4.31 -0.05 -0.27 0.56 3.20 -1.92 0.25 116.97 123.05 1ujs h TYR 22 Ca -0.47 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.49 1ujs h TYR 22 Cb 1.22 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 1ujs h TYR 22 CO 0.59 -0.27 -0.19 1.05 -1.64 0.00 0.00 178.16 177.69 1ujs h GLU 23 N 0.09 -0.04 0.00 1.82 4.11 -1.97 0.34 114.58 118.94 1ujs h GLU 23 Ca 0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.86 1ujs h GLU 23 Cb 0.81 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ujs h GLU 23 CO -0.71 -0.03 -0.07 1.37 0.07 0.00 0.00 179.01 179.64 1ujs h LEU 24 N -0.04 0.00 -0.37 3.06 8.10 -1.65 -2.18 115.31 122.23 1ujs h LEU 24 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.03 1ujs h LEU 24 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 1ujs h LEU 24 CO -0.28 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.30 1ujs n LEU 25 N -3.24 0.52 -4.71 0.17 4.77 0.98 -2.31 117.00 113.18 1ujs n LEU 25 Ca -0.00 -0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.43 1ujs n LEU 25 Cb 0.31 -0.08 0.17 0.00 -2.33 0.00 0.00 43.42 41.49 1ujs n LEU 25 CO 0.28 0.13 0.67 -0.76 -1.33 0.00 0.00 177.39 176.39 1ujs s LEU 26 N -0.98 1.64 -0.18 2.23 1.43 0.17 -4.59 118.68 118.39 1ujs s LEU 26 Ca 0.06 0.98 0.20 0.00 -1.03 0.00 0.00 54.13 54.35 1ujs s LEU 26 Cb 0.03 -3.14 0.47 0.00 0.03 0.00 0.00 46.19 43.58 1ujs s LEU 26 CO 0.04 -3.06 1.15 0.55 0.23 0.00 0.00 176.35 175.26 1ujs n VAL 27 N -4.10 1.18 -3.37 -1.59 3.14 0.70 -4.68 118.33 109.60 1ujs n VAL 27 Ca 0.07 -2.57 -0.38 0.00 -2.96 0.00 0.00 64.34 58.50 1ujs n VAL 27 Cb 0.58 0.67 -0.06 0.00 -1.06 0.00 0.00 33.84 33.97 1ujs n VAL 27 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1ujs s THR 28 N -2.70 4.94 -0.11 1.55 -1.32 -1.26 -4.94 115.64 111.80 1ujs s THR 28 Ca 0.34 1.02 -0.25 0.00 -1.21 0.00 0.00 61.69 61.59 1ujs s THR 28 Cb 0.36 -3.81 -0.28 0.00 -1.51 0.00 0.00 72.50 67.26 1ujs s THR 28 CO -0.07 0.52 0.77 0.74 -2.21 0.00 0.00 174.62 174.37 1ujs h THR 29 N 3.85 1.60 -0.42 5.08 2.02 -1.98 -3.32 112.91 119.74 1ujs h THR 29 Ca -0.49 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.28 1ujs h THR 29 Cb 1.21 3.22 0.00 0.00 -1.74 0.00 0.00 68.15 70.84 1ujs h THR 29 CO 0.65 0.64 0.00 -2.11 0.37 0.00 0.00 175.52 175.07 1ujs n ARG 30 N -4.39 2.38 -0.25 6.66 1.85 -1.26 -4.90 116.66 116.76 1ujs n ARG 30 Ca -0.14 -1.67 0.00 0.00 -1.00 0.00 0.00 57.85 55.04 1ujs n ARG 30 Cb 0.64 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.54 1ujs n ARG 30 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ujs n GLY 31 N 0.98 3.00 2.72 2.89 0.00 -1.25 -5.03 105.19 108.50 1ujs n GLY 31 Ca 0.15 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1ujs n GLY 31 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ujs n ARG 32 N -0.16 4.75 -3.28 1.61 1.85 -1.26 -4.99 116.66 115.18 1ujs n ARG 32 Ca 0.00 -4.64 -0.39 0.00 -1.00 0.00 0.00 57.85 51.82 1ujs n ARG 32 Cb 0.00 -2.40 -0.08 0.00 -1.05 0.00 0.00 32.46 28.93 1ujs n ARG 32 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1ujs s ASN 33 N -1.85 6.44 -0.25 2.89 4.22 -1.26 -4.70 114.94 120.43 1ujs s ASN 33 Ca 0.42 0.53 0.09 0.00 -2.14 0.00 0.00 52.86 51.76 1ujs s ASN 33 Cb 0.23 -2.27 0.44 0.00 1.28 0.00 0.00 41.25 40.93 1ujs s ASN 33 CO -0.15 -0.21 1.20 -1.14 -2.04 0.00 0.00 177.10 174.76 1ujs n ARG 34 N 5.16 2.55 -1.20 3.55 0.00 -1.24 -5.01 116.66 120.47 1ujs n ARG 34 Ca -0.05 -3.71 -0.47 0.00 -0.00 0.00 0.00 57.85 53.62 1ujs n ARG 34 Cb 0.50 -1.91 -0.06 0.00 0.00 0.00 0.00 32.46 30.98 1ujs n ARG 34 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ujs n LEU 35 N -0.89 0.18 0.00 6.15 4.77 -0.98 -4.91 117.00 121.32 1ujs n LEU 35 Ca 0.31 0.90 -0.13 0.00 -0.03 0.00 0.00 56.01 57.05 1ujs n LEU 35 Cb 0.83 -0.70 0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1ujs n LEU 35 CO 0.17 -1.31 0.27 -0.81 -1.33 0.00 0.00 177.39 174.39 1ujs n PRO 36 N 1.54 -1.98 -0.41 3.23 -0.04 -1.26 -4.96 135.00 131.12 1ujs n PRO 36 Ca 0.17 -0.78 0.11 0.00 -0.04 0.00 0.00 63.50 62.96 1ujs n PRO 36 Cb 0.04 -0.73 0.32 0.00 -0.04 0.00 0.00 33.50 33.09 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 -3.00 2.94 -0.13 0.54 2.85 -1.26 -4.13 118.16 115.97 1ujs n LYS 37 Ca 0.07 -2.68 0.07 0.00 -1.05 0.00 0.00 58.31 54.71 1ujs n LYS 37 Cb 0.26 -1.62 0.10 0.00 -0.65 0.00 0.00 35.03 33.12 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 1.49 1.86 -4.86 -5.58 2.03 -1.26 -5.05 116.55 105.18 1ujs n ASP 38 Ca 0.24 -2.71 -0.24 0.00 0.52 0.00 0.00 54.79 52.60 1ujs n ASP 38 Cb 0.67 -0.32 -0.04 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.09 4.74 -0.35 5.18 -7.23 -1.26 -4.50 120.40 114.88 1ujs s VAL 39 Ca 0.22 -1.13 -0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1ujs s VAL 39 Cb 0.19 -3.50 0.05 0.00 0.56 0.00 0.00 36.38 33.68 1ujs s VAL 39 CO 0.02 -0.24 0.13 -1.81 -0.31 0.00 0.00 175.10 172.89 1ujs s ASP 40 N -3.55 5.33 0.44 4.85 1.11 -1.26 -4.94 116.67 118.64 1ujs s ASP 40 Ca 0.33 -1.28 0.17 0.00 0.18 0.00 0.00 52.55 51.94 1ujs s ASP 40 Cb -0.09 -1.87 0.91 0.00 1.07 0.00 0.00 42.92 42.93 1ujs s ASP 40 CO 0.26 -0.37 1.43 0.03 1.18 0.00 0.00 175.17 177.70 1ujs h ARG 41 N 8.22 0.00 0.00 8.23 -0.00 -1.98 1.58 114.38 130.43 1ujs h ARG 41 Ca -0.22 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.22 1ujs h ARG 41 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.04 1ujs h ARG 41 CO 0.63 0.00 -1.92 0.25 0.00 0.00 0.00 179.97 178.93 1ujs n THR 42 N -2.30 0.14 -1.63 2.04 -2.24 -1.26 -3.48 114.28 105.54 1ujs n THR 42 Ca -0.01 -0.48 0.06 0.00 -2.27 0.00 0.00 64.05 61.35 1ujs n THR 42 Cb 0.39 -0.01 0.15 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.23 1.16 -0.34 -0.78 5.12 0.29 -4.80 116.66 115.08 1ujs n ARG 43 Ca -0.06 -2.77 0.11 0.00 -1.93 0.00 0.00 57.85 53.20 1ujs n ARG 43 Cb 0.57 -1.27 0.31 0.00 -1.16 0.00 0.00 32.46 30.91 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 0.68 0.80 -1.30 0.55 3.38 0.16 0.10 115.31 119.69 1ujs h LEU 44 Ca -0.03 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ujs h LEU 44 Cb 1.17 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1ujs h LEU 44 CO 0.02 0.36 0.16 1.05 0.09 0.00 0.00 178.44 180.11 1ujs h GLU 45 N 0.82 0.64 0.00 1.13 9.09 -1.84 -1.32 114.58 123.09 1ujs h GLU 45 Ca 0.53 -0.09 -0.00 0.00 0.05 0.00 0.00 59.36 59.84 1ujs h GLU 45 Cb 0.74 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.73 1ujs h GLU 45 CO -0.30 0.54 -0.02 0.00 0.05 0.00 0.00 179.01 179.28 1ujs h ARG 46 N 0.63 0.00 0.00 1.06 3.08 -1.16 -0.58 114.38 117.40 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 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1ujs h ARG 46 CO -0.01 0.02 0.00 0.72 -1.07 0.00 0.00 179.97 179.62 1ujs n HIS 47 N -3.18 0.00 -3.37 3.04 8.25 -0.50 -4.74 115.22 114.72 1ujs n HIS 47 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1ujs n HIS 47 Cb 0.17 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.41 4.24 0.35 2.41 1.43 -0.23 0.23 118.68 124.70 1ujs s LEU 48 Ca 0.31 0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 53.81 1ujs s LEU 48 Cb 0.19 -2.60 -0.11 0.00 0.03 0.00 0.00 46.19 43.70 1ujs s LEU 48 CO 0.39 -0.01 1.49 -0.94 0.23 0.00 0.00 176.35 177.52 1ujs s SER 49 N 0.70 6.41 0.57 2.29 1.04 -1.26 -4.25 113.70 119.21 1ujs s SER 49 Ca 0.23 2.97 0.28 0.00 0.48 0.00 0.00 55.95 59.91 1ujs s SER 49 Cb -0.15 -2.66 0.97 0.00 0.10 0.00 0.00 66.02 64.29 1ujs s SER 49 CO 0.08 -0.84 1.27 0.00 0.98 0.00 0.00 173.24 174.74 1ujs n GLN 50 N 0.99 0.01 -0.03 4.02 6.02 -1.26 0.16 117.38 127.29 1ujs n GLN 50 Ca 0.03 0.98 -0.15 0.00 -0.01 0.00 0.00 57.00 57.86 1ujs n GLN 50 Cb 0.39 -2.42 -0.11 0.00 1.02 0.00 0.00 30.24 29.12 1ujs n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ujs h GLU 51 N 0.00 0.17 0.00 -1.09 5.08 -1.98 -3.27 114.58 113.49 1ujs h GLU 51 Ca 0.53 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1ujs h GLU 51 Cb 2.92 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 32.20 1ujs h GLU 51 CO -0.01 0.84 -0.15 0.93 -1.00 0.00 0.00 179.01 179.63 1ujs h GLU 52 N -0.46 0.00 -1.48 2.33 4.39 0.13 -3.13 114.58 116.37 1ujs h GLU 52 Ca -0.02 0.00 0.46 0.00 0.34 0.00 0.00 59.36 60.14 1ujs h GLU 52 Cb 0.89 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.44 1ujs h GLU 52 CO 0.04 0.64 1.02 0.34 -1.16 0.00 0.00 179.01 179.88 1ujs n PHE 53 N -4.65 0.31 0.09 4.33 -0.00 0.10 0.23 117.46 117.88 1ujs n PHE 53 Ca -0.09 0.31 -0.23 0.00 -0.00 0.00 0.00 57.45 57.44 1ujs n PHE 53 Cb 0.34 -0.74 -0.15 0.00 -0.00 0.00 0.00 39.48 38.93 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 0.76 0.00 -5.13 5.03 -1.60 -2.45 116.97 113.58 1ujs h TYR 54 Ca 0.80 -0.56 0.00 0.00 2.58 0.00 0.00 58.73 61.55 1ujs h TYR 54 Cb 2.91 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.16 1ujs h TYR 54 CO -0.00 1.62 0.00 1.96 -1.32 0.00 0.00 178.16 180.42 1ujs h GLN 55 N 0.11 0.00 0.00 1.82 4.20 0.30 1.84 115.11 123.39 1ujs h GLN 55 Ca -0.31 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.29 1ujs h GLN 55 Cb 2.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.88 1ujs h GLN 55 CO 0.20 0.00 -1.26 0.28 -0.67 0.00 0.00 178.83 177.39 1ujs n VAL 56 N -2.47 1.49 0.07 -0.54 0.31 -0.12 -4.64 118.33 112.43 1ujs n VAL 56 Ca -0.00 0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 1ujs n VAL 56 Cb 0.15 -2.24 -0.13 0.00 -0.91 0.00 0.00 33.84 30.70 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 0.29 0.00 3.52 -1.00 -1.43 -3.48 116.94 113.83 1ujs h PHE 57 Ca -0.17 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.40 1ujs h PHE 57 Cb 1.06 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.61 1ujs h PHE 57 CO -0.29 1.19 0.00 0.41 -1.61 0.00 0.00 178.31 178.01 1ujs n GLY 58 N 1.50 1.17 3.82 -1.45 0.00 0.62 -5.04 105.19 105.82 1ujs n GLY 58 Ca -0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 1.65 -0.01 1.61 0.23 -1.18 -4.99 119.30 115.97 1ujs s MET 59 Ca 0.00 -1.00 -0.12 0.00 -1.03 0.00 0.00 55.69 53.54 1ujs s MET 59 Cb 0.00 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 33.75 1ujs s MET 59 CO 0.00 -0.77 0.35 0.95 -2.03 0.00 0.00 175.02 173.52 1ujs s THR 60 N -2.90 5.14 0.35 3.16 -4.23 -1.26 -3.32 115.64 112.57 1ujs s THR 60 Ca 0.15 0.64 0.20 0.00 -1.18 0.00 0.00 61.69 61.50 1ujs s THR 60 Cb -0.04 -3.64 0.33 0.00 1.34 0.00 0.00 72.50 70.50 1ujs s THR 60 CO 0.07 0.53 1.47 0.00 -0.54 0.00 0.00 174.62 176.15 1ujs n ILE 61 N 1.68 -0.38 -0.27 2.99 0.13 -1.26 0.18 119.36 122.42 1ujs n ILE 61 Ca -0.14 1.87 0.00 0.00 -1.10 0.00 0.00 62.75 63.38 1ujs n ILE 61 Cb 0.53 -3.04 0.13 0.00 -0.84 0.00 0.00 39.64 36.41 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 0.68 0.56 9.51 0.87 -2.00 -0.35 113.55 122.83 1ujs h SER 62 Ca 0.79 0.03 -0.25 0.00 -1.23 0.00 0.00 61.79 61.13 1ujs h SER 62 Cb 2.12 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.97 1ujs h SER 62 CO -0.70 0.43 -1.13 -0.33 -0.53 0.00 0.00 176.83 174.58 1ujs h GLU 63 N 0.81 0.29 -0.35 2.24 5.08 0.15 -3.27 114.58 119.53 1ujs h GLU 63 Ca 0.35 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ujs h GLU 63 Cb 0.21 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1ujs h GLU 63 CO -0.19 1.16 0.23 0.35 -1.00 0.00 0.00 179.01 179.57 1ujs h PHE 64 N 0.12 0.44 0.00 4.33 3.57 -0.41 -1.05 116.94 123.93 1ujs h PHE 64 Ca -0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1ujs h PHE 64 Cb 1.82 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.41 1ujs h PHE 64 CO 0.06 0.28 0.00 0.22 -2.23 0.00 0.00 178.31 176.64 1ujs h ASP 65 N 0.48 0.00 -0.22 0.41 3.58 -1.17 0.01 116.42 119.51 1ujs h ASP 65 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1ujs h ASP 65 Cb -0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1ujs h ASP 65 CO -0.03 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.87 1ujs n ARG 66 N -2.60 1.86 -2.34 0.28 1.74 -0.41 -4.91 116.66 110.28 1ujs n ARG 66 Ca -0.01 -1.30 -0.26 0.00 -0.77 0.00 0.00 57.85 55.51 1ujs n ARG 66 Cb 0.13 -1.40 0.14 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 -1.49 2.88 0.18 0.55 1.43 -0.01 -5.06 118.68 117.16 1ujs s LEU 67 Ca 0.32 -0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.03 1ujs s LEU 67 Cb 0.18 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 1ujs s LEU 67 CO 0.26 -2.19 0.80 0.00 0.23 0.00 0.00 176.35 175.45 1ujs s ALA 68 N -3.42 3.43 0.25 4.21 0.00 -1.26 -4.82 121.76 120.14 1ujs s ALA 68 Ca 0.69 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.97 1ujs s ALA 68 Cb -0.05 -3.00 0.41 0.00 0.00 0.00 0.00 23.12 20.49 1ujs s ALA 68 CO 0.48 0.28 1.43 -0.11 0.00 0.00 0.00 175.76 177.84 1ujs n LEU 69 N 1.52 -0.35 -0.37 0.00 -0.00 -1.26 0.18 117.00 116.72 1ujs n LEU 69 Ca -0.05 1.58 -0.01 0.00 -0.00 0.00 0.00 56.01 57.54 1ujs n LEU 69 Cb 0.48 -0.47 0.14 0.00 -0.00 0.00 0.00 43.42 43.57 1ujs n LEU 69 CO 0.47 -1.51 1.29 4.11 -0.00 0.00 0.00 177.39 181.74 1ujs h TRP 70 N 0.00 1.24 -0.21 1.96 5.08 -1.97 0.16 115.95 122.20 1ujs h TRP 70 Ca 0.43 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 60.36 1ujs h TRP 70 Cb 0.66 -0.42 -0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1ujs h TRP 70 CO -0.71 0.74 -0.14 -0.22 -1.28 0.00 0.00 178.44 176.83 1ujs h LYS 71 N 1.30 0.47 0.00 0.12 1.63 0.15 0.84 116.57 121.08 1ujs h LYS 71 Ca 0.39 -0.22 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 1ujs h LYS 71 Cb -0.06 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1ujs h LYS 71 CO -0.11 0.78 -0.18 0.00 -3.45 0.00 0.00 179.45 176.49 1ujs h ARG 72 N 0.16 0.00 0.00 1.90 3.08 -0.07 0.15 114.38 119.60 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 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1ujs h ARG 72 CO 0.04 0.18 -1.46 0.09 -1.07 0.00 0.00 179.97 177.75 1ujs n ASN 73 N -4.10 0.43 0.03 7.04 3.02 0.01 -3.90 115.26 117.79 1ujs n ASN 73 Ca -0.02 0.06 -0.21 0.00 -0.03 0.00 0.00 54.58 54.37 1ujs n ASN 73 Cb 0.26 1.23 -0.14 0.00 -0.61 0.00 0.00 39.78 40.51 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 0.29 0.45 3.52 4.57 0.13 -3.26 114.58 120.28 1ujs h GLU 74 Ca 0.00 -0.49 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 1ujs h GLU 74 Cb 0.94 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1ujs h GLU 74 CO 0.00 1.24 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.78 1ujs h LEU 75 N -0.25 -0.51 -1.25 1.64 3.38 -0.92 -2.51 115.31 114.88 1ujs h LEU 75 Ca -0.27 0.02 0.20 0.00 0.09 0.00 0.00 57.88 57.92 1ujs h LEU 75 Cb 1.79 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.59 1ujs h LEU 75 CO 0.10 -0.37 0.62 0.11 0.09 0.00 0.00 178.44 179.00 1ujs h LYS 76 N -0.61 0.56 -0.36 1.13 1.57 -1.74 0.33 116.57 117.45 1ujs h LYS 76 Ca -0.06 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1ujs h LYS 76 Cb 0.47 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1ujs h LYS 76 CO 0.10 0.37 0.10 0.87 -0.57 0.00 0.00 179.45 180.33 1ujs h LYS 77 N 0.58 0.52 0.00 3.15 1.57 -1.50 0.30 116.57 121.19 1ujs h LYS 77 Ca 0.54 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1ujs h LYS 77 Cb 1.08 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1ujs h LYS 77 CO -0.29 0.47 -0.35 1.96 -0.57 0.00 0.00 179.45 180.67 1ujs h GLN 78 N 0.51 0.00 -0.69 3.15 4.20 -0.12 -3.22 115.11 118.94 1ujs h GLN 78 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1ujs h GLN 78 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1ujs h GLN 78 CO -0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.15 1ujs n ALA 79 N -2.05 2.48 -2.60 3.87 0.00 -0.23 -4.93 120.51 117.06 1ujs n ALA 79 Ca 0.03 -1.35 -0.18 0.00 0.00 0.00 0.00 53.44 51.94 1ujs n ALA 79 Cb 0.51 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 1.45 -2.52 -0.14 0.00 1.74 -0.30 -4.75 116.66 112.15 1ujs n ARG 80 Ca 0.24 0.78 0.06 0.00 -0.77 0.00 0.00 57.85 58.15 1ujs n ARG 80 Cb 0.66 -5.45 0.12 0.00 -1.02 0.00 0.00 32.46 26.77 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 -3.14 2.63 -4.50 0.55 4.77 0.91 0.25 117.00 118.46 1ujs n LEU 81 Ca -0.17 -2.50 -0.31 0.00 -0.03 0.00 0.00 56.01 53.01 1ujs n LEU 81 Cb 0.63 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 1ujs n LEU 81 CO 0.29 0.64 -0.46 0.12 -1.33 0.00 0.00 177.39 176.64 1ujs s PHE 82 N -1.87 2.65 0.00 -1.77 2.19 -1.07 -4.42 117.98 113.69 1ujs s PHE 82 Ca 0.21 -0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.28 1ujs s PHE 82 Cb 0.17 -1.48 0.00 0.00 -1.31 0.00 0.00 43.02 40.40 1ujs s PHE 82 CO 0.06 0.31 0.00 0.45 1.83 0.00 0.00 175.22 177.87 1ujs n SER 83 N 1.36 0.95 0.00 6.13 2.88 -1.23 -4.88 113.62 118.84 1ujs n SER 83 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1ujs n SER 83 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 2.13 3.03 3.56 0.46 0.00 -1.26 -5.02 105.19 108.09 1ujs n GLY 84 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.31 2.57 0.94 1.61 0.04 -1.26 -4.92 135.00 130.68 1ujs s PRO 85 Ca 0.00 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 60.82 1ujs s PRO 85 Cb 0.00 -4.92 0.16 0.00 0.04 0.00 0.00 34.50 29.78 1ujs s PRO 85 CO 0.00 -3.24 1.11 -1.12 0.04 0.00 0.00 177.00 173.79 1ujs s SER 86 N 8.04 3.15 0.00 6.66 0.01 -1.26 -5.02 113.70 125.28 1ujs s SER 86 Ca 0.69 1.13 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1ujs s SER 86 Cb -0.08 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1ujs s SER 86 CO 0.04 -2.80 0.00 -1.54 0.41 0.00 0.00 173.24 169.35 1ujs n SER 87 N -3.95 1.21 0.00 2.44 3.41 -1.26 -5.22 113.62 110.26 1ujs n SER 87 Ca 0.06 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.68 1ujs n SER 87 Cb 0.58 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 1ujs n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49