#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujs h SER 2 N 0.00 0.00 -6.76 1.61 0.02 -2.08 -3.48 113.55 102.86 1ujs h SER 2 Ca 0.00 -0.52 -0.55 0.00 -0.84 0.00 0.00 61.79 59.88 1ujs h SER 2 Cb 0.00 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.35 1ujs h SER 2 CO 0.00 1.01 -0.86 -0.24 -1.14 0.00 0.00 176.83 175.60 1ujs n SER 3 N -4.59 -2.32 -3.64 3.07 2.88 -1.26 -4.90 113.62 102.86 1ujs n SER 3 Ca -0.14 -1.05 -0.04 0.00 -1.33 0.00 0.00 58.87 56.31 1ujs n SER 3 Cb 0.41 -2.64 -0.07 0.00 -0.75 0.00 0.00 64.21 61.17 1ujs n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujs s GLY 4 N -3.57 0.25 -0.44 0.46 0.00 -1.26 -5.10 107.32 97.66 1ujs s GLY 4 Ca 0.56 3.31 -0.39 0.00 0.00 0.00 0.00 44.72 48.20 1ujs s GLY 4 CO 0.93 1.81 1.82 -1.26 0.00 0.00 0.00 173.10 176.41 1ujs n SER 5 N 1.52 0.70 -0.02 1.64 2.88 -1.26 -4.80 113.62 114.28 1ujs n SER 5 Ca -0.09 0.65 -0.04 0.00 -1.33 0.00 0.00 58.87 58.06 1ujs n SER 5 Cb 0.57 -0.79 -0.01 0.00 -0.75 0.00 0.00 64.21 63.23 1ujs n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujs n SER 6 N 6.24 1.14 0.00 -3.46 2.88 -1.26 -5.15 113.62 114.00 1ujs n SER 6 Ca 0.46 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1ujs n SER 6 Cb -0.04 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1ujs n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujs n GLY 7 N 2.39 2.62 3.36 0.46 0.00 -1.26 -5.11 105.19 107.65 1ujs n GLY 7 Ca -0.06 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 1ujs n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ujs s ASN 8 N 0.00 5.00 -0.21 1.61 2.47 -1.26 -5.06 114.94 117.49 1ujs s ASN 8 Ca 0.00 -0.56 -0.30 0.00 0.42 0.00 0.00 52.86 52.42 1ujs s ASN 8 Cb 0.00 -1.87 0.15 0.00 -1.45 0.00 0.00 41.25 38.09 1ujs s ASN 8 CO 0.00 -0.13 1.17 0.00 -3.72 0.00 0.00 177.10 174.41 1ujs s ALA 9 N 1.52 -2.02 0.14 1.71 0.00 -1.26 -4.85 121.76 117.00 1ujs s ALA 9 Ca 0.04 1.69 -0.20 0.00 0.00 0.00 0.00 51.96 53.49 1ujs s ALA 9 Cb -0.16 -0.91 -0.12 0.00 0.00 0.00 0.00 23.12 21.93 1ujs s ALA 9 CO 0.02 -0.33 0.36 1.33 0.00 0.00 0.00 175.76 177.14 1ujs n VAL 10 N 0.50 1.40 0.21 0.00 0.24 -1.26 -4.76 118.33 114.66 1ujs n VAL 10 Ca -0.05 -0.35 -0.08 0.00 -2.04 0.00 0.00 64.34 61.82 1ujs n VAL 10 Cb 0.58 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 33.02 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 1.41 3.26 -3.02 -1.34 4.13 -1.26 -4.89 115.26 113.55 1ujs n ASN 11 Ca 0.13 -2.57 -0.15 0.00 1.68 0.00 0.00 54.58 53.67 1ujs n ASN 11 Cb 0.18 -0.62 0.12 0.00 -1.54 0.00 0.00 39.78 37.92 1ujs n ASN 11 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1ujs n TRP 12 N -0.08 -3.61 0.11 3.10 5.03 -1.26 -5.06 117.44 115.68 1ujs n TRP 12 Ca 0.21 -0.53 0.00 0.00 3.03 0.00 0.00 57.50 60.21 1ujs n TRP 12 Cb 0.91 -0.56 0.00 0.00 -1.03 0.00 0.00 31.31 30.63 1ujs n TRP 12 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1ujs n GLY 13 N -0.69 -0.24 0.25 6.99 0.00 -1.26 -4.85 105.19 105.39 1ujs n GLY 13 Ca 0.08 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.31 1ujs n GLY 13 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ujs n MET 14 N -3.40 -0.05 -3.79 1.61 0.00 -1.26 -4.59 117.12 105.64 1ujs n MET 14 Ca 0.00 1.09 -0.09 0.00 0.00 0.00 0.00 57.70 58.70 1ujs n MET 14 Cb 0.01 -1.89 -0.03 0.00 0.00 0.00 0.00 33.22 31.31 1ujs n MET 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1ujs s ARG 15 N -5.33 1.54 -0.89 3.17 1.81 -1.26 -5.11 118.95 112.88 1ujs s ARG 15 Ca -0.08 -0.93 -0.11 0.00 -1.72 0.00 0.00 55.73 52.89 1ujs s ARG 15 Cb 0.25 0.55 0.23 0.00 -0.45 0.00 0.00 34.95 35.53 1ujs s ARG 15 CO 0.60 -0.67 0.83 -2.00 -0.68 0.00 0.00 175.30 173.38 1ujs s GLU 16 N -3.90 3.64 -0.66 3.54 2.12 -1.26 -4.71 118.70 117.46 1ujs s GLU 16 Ca 0.11 -2.75 -0.26 0.00 0.36 0.00 0.00 54.97 52.43 1ujs s GLU 16 Cb -0.03 -4.35 0.04 0.00 0.26 0.00 0.00 34.13 30.05 1ujs s GLU 16 CO 0.02 -1.26 1.17 0.71 -0.54 0.00 0.00 175.26 175.35 1ujs s TYR 17 N -0.38 2.48 0.56 5.30 2.02 -1.26 -5.00 117.35 121.07 1ujs s TYR 17 Ca 0.22 0.00 -0.21 0.00 -0.37 0.00 0.00 57.07 56.72 1ujs s TYR 17 Cb -0.11 -4.49 -0.05 0.00 -0.40 0.00 0.00 41.96 36.92 1ujs s TYR 17 CO -0.08 -1.80 1.28 1.17 -1.57 0.00 0.00 175.55 174.55 1ujs n LYS 18 N 8.66 1.50 -2.21 -0.62 4.81 -1.26 -4.27 118.16 124.77 1ujs n LYS 18 Ca 0.03 0.56 -0.42 0.00 -0.87 0.00 0.00 58.31 57.61 1ujs n LYS 18 Cb 0.48 -2.49 -0.03 0.00 0.02 0.00 0.00 35.03 33.02 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 -1.33 3.68 0.09 3.15 -1.09 -1.26 -4.62 121.20 119.82 1ujs s ILE 19 Ca 0.73 0.64 0.09 0.00 -2.23 0.00 0.00 60.65 59.88 1ujs s ILE 19 Cb -0.42 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.37 1ujs s ILE 19 CO 0.48 -0.77 -0.23 -0.31 -1.23 0.00 0.00 174.94 172.88 1ujs s TYR 20 N 6.49 2.41 0.32 3.97 2.02 0.14 -5.00 117.35 127.70 1ujs s TYR 20 Ca 0.66 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.73 1ujs s TYR 20 Cb -0.15 -1.35 -0.10 0.00 -0.40 0.00 0.00 41.96 39.96 1ujs s TYR 20 CO 0.30 0.27 1.22 -1.25 -1.57 0.00 0.00 175.55 174.53 1ujs s PRO 21 N -1.73 4.43 0.25 -1.71 0.04 -1.26 -4.19 135.00 130.82 1ujs s PRO 21 Ca 0.14 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 1ujs s PRO 21 Cb -0.10 -3.08 0.46 0.00 0.04 0.00 0.00 34.50 31.82 1ujs s PRO 21 CO 0.06 -0.06 1.66 -0.92 0.04 0.00 0.00 177.00 177.77 1ujs h TYR 22 N 3.46 0.10 -0.22 0.56 5.03 -1.92 0.24 116.97 124.22 1ujs h TYR 22 Ca -0.48 0.05 0.02 0.00 2.58 0.00 0.00 58.73 60.90 1ujs h TYR 22 Cb 1.22 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 39.54 1ujs h TYR 22 CO 0.57 -0.18 -0.16 1.05 -1.32 0.00 0.00 178.16 178.11 1ujs h GLU 23 N 0.17 -0.04 0.00 1.82 4.11 -1.95 0.28 114.58 118.97 1ujs h GLU 23 Ca 0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.84 1ujs h GLU 23 Cb 0.74 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ujs h GLU 23 CO -0.60 -0.03 -0.07 1.37 0.07 0.00 0.00 179.01 179.75 1ujs h LEU 24 N -0.04 0.00 -0.38 3.06 8.10 -1.70 -2.10 115.31 122.25 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 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 1ujs h LEU 24 CO -0.23 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.36 1ujs n LEU 25 N -3.26 0.53 -4.73 0.17 4.77 0.79 -2.13 117.00 113.14 1ujs n LEU 25 Ca -0.00 -0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.42 1ujs n LEU 25 Cb 0.30 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.45 1ujs n LEU 25 CO 0.28 0.13 0.68 -0.76 -1.33 0.00 0.00 177.39 176.39 1ujs s LEU 26 N -0.96 1.91 -0.21 2.23 1.43 0.09 -4.57 118.68 118.61 1ujs s LEU 26 Ca 0.06 1.15 0.20 0.00 -1.03 0.00 0.00 54.13 54.51 1ujs s LEU 26 Cb 0.03 -3.45 0.48 0.00 0.03 0.00 0.00 46.19 43.28 1ujs s LEU 26 CO 0.04 -2.76 1.14 0.55 0.23 0.00 0.00 176.35 175.55 1ujs n VAL 27 N -3.93 1.33 -3.08 -1.59 3.14 0.71 -4.66 118.33 110.25 1ujs n VAL 27 Ca 0.06 -2.82 -0.43 0.00 -2.96 0.00 0.00 64.34 58.19 1ujs n VAL 27 Cb 0.58 0.69 -0.06 0.00 -1.06 0.00 0.00 33.84 33.98 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 -3.19 4.78 0.08 1.55 -1.32 -1.26 -4.93 115.64 111.34 1ujs s THR 28 Ca 0.34 0.03 -0.20 0.00 -1.21 0.00 0.00 61.69 60.64 1ujs s THR 28 Cb 0.35 -4.27 -0.07 0.00 -1.51 0.00 0.00 72.50 67.00 1ujs s THR 28 CO -0.05 -0.70 1.33 0.74 -2.21 0.00 0.00 174.62 173.73 1ujs h THR 29 N 5.90 0.00 -1.37 5.08 2.02 -1.98 -2.07 112.91 120.48 1ujs h THR 29 Ca -0.26 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.29 1ujs h THR 29 Cb 1.09 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 67.31 1ujs h THR 29 CO 0.93 0.00 1.02 -2.11 0.37 0.00 0.00 175.52 175.73 1ujs n ARG 30 N -4.32 3.23 0.00 6.66 0.00 -1.26 -4.89 116.66 116.08 1ujs n ARG 30 Ca -0.03 -3.03 0.00 0.00 -0.00 0.00 0.00 57.85 54.80 1ujs n ARG 30 Cb 0.22 -2.30 0.00 0.00 -0.00 0.00 0.00 32.46 30.37 1ujs n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ujs n GLY 31 N 0.70 5.31 2.78 2.89 0.00 -0.78 -5.07 105.19 111.02 1ujs n GLY 31 Ca 0.53 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1ujs n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujs n ARG 32 N 0.00 4.64 -3.78 1.61 5.12 -1.26 -4.99 116.66 118.00 1ujs n ARG 32 Ca 0.00 -4.66 -0.36 0.00 -1.93 0.00 0.00 57.85 50.90 1ujs n ARG 32 Cb 0.00 -2.44 -0.13 0.00 -1.16 0.00 0.00 32.46 28.73 1ujs n ARG 32 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ujs s ASN 33 N -1.84 4.97 -0.31 0.55 4.22 -1.26 -4.65 114.94 116.61 1ujs s ASN 33 Ca 0.38 -0.38 0.07 0.00 -2.14 0.00 0.00 52.86 50.78 1ujs s ASN 33 Cb 0.15 -1.88 0.46 0.00 1.28 0.00 0.00 41.25 41.26 1ujs s ASN 33 CO -0.04 -0.08 1.24 -1.14 -2.04 0.00 0.00 177.10 175.04 1ujs n ARG 34 N 4.89 3.45 -1.52 3.55 0.00 -1.23 -5.01 116.66 120.79 1ujs n ARG 34 Ca -0.16 -4.07 -0.58 0.00 -0.00 0.00 0.00 57.85 53.03 1ujs n ARG 34 Cb 0.50 -2.24 -0.08 0.00 0.00 0.00 0.00 32.46 30.64 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 -0.75 0.30 0.00 6.15 4.77 -0.91 -4.92 117.00 121.65 1ujs n LEU 35 Ca 0.44 1.15 -0.09 0.00 -0.03 0.00 0.00 56.01 57.48 1ujs n LEU 35 Cb 0.94 -0.96 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1ujs n LEU 35 CO 0.40 -1.73 0.19 -0.81 -1.33 0.00 0.00 177.39 174.10 1ujs n PRO 36 N 1.77 -1.68 -0.45 3.23 -0.04 -1.26 -4.96 135.00 131.60 1ujs n PRO 36 Ca 0.20 -0.54 0.09 0.00 -0.04 0.00 0.00 63.50 63.22 1ujs n PRO 36 Cb 0.09 -0.50 0.31 0.00 -0.04 0.00 0.00 33.50 33.36 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 -2.54 3.23 -0.15 0.54 2.85 -1.26 -4.19 118.16 116.64 1ujs n LYS 37 Ca 0.05 -2.68 0.06 0.00 -1.05 0.00 0.00 58.31 54.68 1ujs n LYS 37 Cb 0.18 -1.68 0.08 0.00 -0.65 0.00 0.00 35.03 32.95 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 1.09 1.61 -4.90 -5.58 2.03 -1.26 -5.06 116.55 104.47 1ujs n ASP 38 Ca 0.23 -2.54 -0.21 0.00 0.52 0.00 0.00 54.79 52.79 1ujs n ASP 38 Cb 0.73 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.82 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 -1.74 4.77 -0.38 5.18 -7.23 -1.26 -4.47 120.40 115.27 1ujs s VAL 39 Ca 0.18 -1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 59.11 1ujs s VAL 39 Cb 0.15 -3.61 0.08 0.00 0.56 0.00 0.00 36.38 33.56 1ujs s VAL 39 CO 0.02 -0.32 0.17 -1.81 -0.31 0.00 0.00 175.10 172.85 1ujs s ASP 40 N -3.93 5.33 0.56 4.85 1.11 -1.26 -4.94 116.67 118.39 1ujs s ASP 40 Ca 0.34 -1.57 0.17 0.00 0.18 0.00 0.00 52.55 51.67 1ujs s ASP 40 Cb -0.08 -1.87 0.93 0.00 1.07 0.00 0.00 42.92 42.97 1ujs s ASP 40 CO 0.27 -0.46 1.48 0.03 1.18 0.00 0.00 175.17 177.68 1ujs h ARG 41 N 8.19 0.00 0.00 8.23 -0.00 -1.95 1.93 114.38 130.79 1ujs h ARG 41 Ca -0.20 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.24 1ujs h ARG 41 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.03 1ujs h ARG 41 CO 0.68 0.00 -1.98 0.25 0.00 0.00 0.00 179.97 178.92 1ujs n THR 42 N -2.51 0.18 -1.57 2.04 -2.24 -1.26 -3.22 114.28 105.70 1ujs n THR 42 Ca -0.01 -0.51 0.07 0.00 -2.27 0.00 0.00 64.05 61.33 1ujs n THR 42 Cb 0.53 -0.04 0.15 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.19 -0.35 -0.78 5.12 0.39 -4.80 116.66 115.16 1ujs n ARG 43 Ca -0.07 -2.76 0.11 0.00 -1.93 0.00 0.00 57.85 53.20 1ujs n ARG 43 Cb 0.61 -1.31 0.29 0.00 -1.16 0.00 0.00 32.46 30.89 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 0.61 0.84 -1.64 0.55 3.38 0.22 0.19 115.31 119.46 1ujs h LEU 44 Ca -0.03 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ujs h LEU 44 Cb 1.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ujs h LEU 44 CO 0.01 0.36 0.07 1.05 0.09 0.00 0.00 178.44 180.02 1ujs h GLU 45 N 0.85 0.30 0.00 1.13 9.09 -1.84 -0.43 114.58 123.68 1ujs h GLU 45 Ca 0.55 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.92 1ujs h GLU 45 Cb 0.74 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 1ujs h GLU 45 CO -0.33 0.27 0.00 0.54 0.05 0.00 0.00 179.01 179.54 1ujs n ARG 46 N -4.43 0.18 0.00 1.06 1.74 0.65 -1.62 116.66 114.25 1ujs n ARG 46 Ca 0.00 0.45 0.15 0.00 -0.77 0.00 0.00 57.85 57.68 1ujs n ARG 46 Cb 0.13 -1.88 0.68 0.00 -1.02 0.00 0.00 32.46 30.38 1ujs n ARG 46 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ujs n HIS 47 N -2.23 0.00 -3.47 -1.55 8.25 -0.17 -4.80 115.22 111.25 1ujs n HIS 47 Ca 0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 1ujs n HIS 47 Cb 0.20 -0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.15 4.22 0.36 2.41 1.43 -0.64 0.27 118.68 124.57 1ujs s LEU 48 Ca 0.38 0.54 -0.28 0.00 -1.03 0.00 0.00 54.13 53.74 1ujs s LEU 48 Cb 0.21 -2.45 -0.11 0.00 0.03 0.00 0.00 46.19 43.87 1ujs s LEU 48 CO 0.39 0.03 1.42 -0.94 0.23 0.00 0.00 176.35 177.48 1ujs s SER 49 N 0.68 6.51 0.58 2.29 1.04 -1.26 -4.28 113.70 119.27 1ujs s SER 49 Ca 0.18 2.90 0.27 0.00 0.48 0.00 0.00 55.95 59.79 1ujs s SER 49 Cb -0.14 -2.66 0.93 0.00 0.10 0.00 0.00 66.02 64.25 1ujs s SER 49 CO 0.06 -0.74 1.27 0.00 0.98 0.00 0.00 173.24 174.81 1ujs n GLN 50 N 0.64 0.01 0.01 4.02 6.02 -1.26 0.11 117.38 126.93 1ujs n GLN 50 Ca 0.01 0.99 -0.12 0.00 -0.01 0.00 0.00 57.00 57.86 1ujs n GLN 50 Cb 0.40 -2.45 -0.10 0.00 1.02 0.00 0.00 30.24 29.11 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 -0.09 0.00 -1.09 5.08 -1.97 -3.25 114.58 113.25 1ujs h GLU 51 Ca 0.50 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1ujs h GLU 51 Cb 2.89 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 32.16 1ujs h GLU 51 CO -0.01 0.44 -0.09 0.93 -1.00 0.00 0.00 179.01 179.28 1ujs h GLU 52 N -0.69 0.00 -1.54 2.33 5.08 0.46 -3.13 114.58 117.08 1ujs h GLU 52 Ca -0.01 0.00 0.47 0.00 -1.00 0.00 0.00 59.36 58.82 1ujs h GLU 52 Cb 0.57 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 1ujs h GLU 52 CO 0.02 0.65 1.09 0.34 -1.00 0.00 0.00 179.01 180.10 1ujs n PHE 53 N -4.65 0.16 0.07 4.33 -0.00 0.96 0.25 117.46 118.58 1ujs n PHE 53 Ca -0.08 0.16 -0.23 0.00 -0.00 0.00 0.00 57.45 57.30 1ujs n PHE 53 Cb 0.33 -0.58 -0.15 0.00 -0.00 0.00 0.00 39.48 39.09 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 0.72 0.00 -5.13 5.03 -1.59 -2.51 116.97 113.49 1ujs h TYR 54 Ca 0.78 -0.53 0.00 0.00 2.58 0.00 0.00 58.73 61.57 1ujs h TYR 54 Cb 3.00 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.25 1ujs h TYR 54 CO -0.00 1.68 0.00 1.96 -1.32 0.00 0.00 178.16 180.48 1ujs h GLN 55 N 0.10 0.00 0.00 1.82 4.20 0.33 2.00 115.11 123.56 1ujs h GLN 55 Ca -0.35 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.17 1ujs h GLN 55 Cb 2.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.85 1ujs h GLN 55 CO 0.18 0.00 -1.51 0.28 -0.67 0.00 0.00 178.83 177.10 1ujs n VAL 56 N -2.54 1.50 0.06 -0.54 0.31 -0.04 -4.65 118.33 112.44 1ujs n VAL 56 Ca -0.00 -0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 64.11 1ujs n VAL 56 Cb 0.15 -2.15 -0.14 0.00 -0.91 0.00 0.00 33.84 30.79 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 0.42 0.00 3.52 -1.00 -1.43 -3.49 116.94 113.96 1ujs h PHE 57 Ca -0.29 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.18 1ujs h PHE 57 Cb 1.19 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1ujs h PHE 57 CO -0.22 1.34 0.00 0.41 -1.61 0.00 0.00 178.31 178.23 1ujs n GLY 58 N 1.63 1.43 3.85 -1.45 0.00 0.68 -5.04 105.19 106.29 1ujs n GLY 58 Ca -0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.84 1.68 -0.07 1.61 0.23 -1.20 -5.00 119.30 115.71 1ujs s MET 59 Ca 0.00 -1.08 -0.10 0.00 -1.03 0.00 0.00 55.69 53.49 1ujs s MET 59 Cb 0.00 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.73 1ujs s MET 59 CO 0.00 -0.79 0.24 0.95 -2.03 0.00 0.00 175.02 173.39 1ujs s THR 60 N -2.29 5.34 0.39 3.16 -4.23 -1.26 -3.35 115.64 113.39 1ujs s THR 60 Ca 0.19 0.41 0.25 0.00 -1.18 0.00 0.00 61.69 61.36 1ujs s THR 60 Cb -0.04 -3.51 0.40 0.00 1.34 0.00 0.00 72.50 70.69 1ujs s THR 60 CO 0.08 0.59 1.54 0.00 -0.54 0.00 0.00 174.62 176.28 1ujs n ILE 61 N 1.87 -0.35 -0.30 2.99 0.13 -1.26 0.17 119.36 122.62 1ujs n ILE 61 Ca -0.17 1.90 -0.01 0.00 -1.10 0.00 0.00 62.75 63.36 1ujs n ILE 61 Cb 0.54 -3.09 0.11 0.00 -0.84 0.00 0.00 39.64 36.36 1ujs n ILE 61 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1ujs h SER 62 N 0.00 0.84 0.51 9.51 0.02 -2.00 -0.92 113.55 121.50 1ujs h SER 62 Ca 0.84 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.53 1ujs h SER 62 Cb 2.43 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 64.80 1ujs h SER 62 CO -0.64 0.56 -1.17 -0.33 -1.14 0.00 0.00 176.83 174.12 1ujs h GLU 63 N 0.98 0.34 -0.21 3.45 4.39 0.13 -3.30 114.58 120.36 1ujs h GLU 63 Ca 0.34 -0.50 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1ujs h GLU 63 Cb 0.07 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1ujs h GLU 63 CO -0.14 1.21 0.09 0.35 -1.16 0.00 0.00 179.01 179.36 1ujs h PHE 64 N 0.13 0.16 0.00 4.33 3.57 -0.57 -0.37 116.94 124.19 1ujs h PHE 64 Ca -0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1ujs h PHE 64 Cb 1.87 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.57 1ujs h PHE 64 CO 0.07 0.09 0.00 -0.25 -2.23 0.00 0.00 178.31 175.99 1ujs n ASP 65 N -5.02 0.28 -0.75 0.41 8.00 -0.39 -0.43 116.55 118.64 1ujs n ASP 65 Ca -0.03 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.20 1ujs n ASP 65 Cb 0.07 -0.66 0.32 0.00 -0.02 0.00 0.00 41.12 40.83 1ujs n ASP 65 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ujs n ARG 66 N -1.86 2.00 -2.29 -1.24 1.74 -0.16 -4.93 116.66 109.93 1ujs n ARG 66 Ca 0.00 -1.50 -0.26 0.00 -0.77 0.00 0.00 57.85 55.32 1ujs n ARG 66 Cb 0.05 -1.44 0.14 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.64 2.86 0.15 0.55 1.43 0.43 -5.06 118.68 117.40 1ujs s LEU 67 Ca 0.34 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.16 1ujs s LEU 67 Cb 0.20 -2.22 -0.08 0.00 0.03 0.00 0.00 46.19 44.12 1ujs s LEU 67 CO 0.29 -2.18 0.74 0.00 0.23 0.00 0.00 176.35 175.43 1ujs s ALA 68 N -3.45 3.47 0.21 4.21 0.00 -1.26 -4.81 121.76 120.14 1ujs s ALA 68 Ca 0.69 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 1ujs s ALA 68 Cb -0.05 -2.90 0.31 0.00 0.00 0.00 0.00 23.12 20.48 1ujs s ALA 68 CO 0.48 0.31 1.26 -0.11 0.00 0.00 0.00 175.76 177.70 1ujs n LEU 69 N 1.59 -0.37 -0.36 0.00 -0.00 -1.26 0.24 117.00 116.84 1ujs n LEU 69 Ca -0.06 1.40 0.00 0.00 -0.00 0.00 0.00 56.01 57.34 1ujs n LEU 69 Cb 0.49 -0.39 0.15 0.00 -0.00 0.00 0.00 43.42 43.67 1ujs n LEU 69 CO 0.45 -1.31 1.28 4.11 -0.00 0.00 0.00 177.39 181.92 1ujs h TRP 70 N 0.00 1.22 -0.14 1.96 5.08 -1.97 0.50 115.95 122.60 1ujs h TRP 70 Ca 0.35 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 60.30 1ujs h TRP 70 Cb 0.55 -0.41 -0.00 0.00 -3.00 0.00 0.00 29.16 26.30 1ujs h TRP 70 CO -0.65 0.71 -0.11 -0.22 -1.28 0.00 0.00 178.44 176.89 1ujs h LYS 71 N 1.26 0.32 0.00 0.12 1.63 0.27 0.76 116.57 120.93 1ujs h LYS 71 Ca 0.39 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 1ujs h LYS 71 Cb -0.02 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1ujs h LYS 71 CO -0.12 0.69 -0.14 0.00 -3.45 0.00 0.00 179.45 176.43 1ujs h ARG 72 N -0.04 0.00 0.00 1.90 3.08 -0.05 0.73 114.38 120.00 1ujs h ARG 72 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ujs h ARG 72 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1ujs h ARG 72 CO 0.03 0.14 -1.43 0.09 -1.07 0.00 0.00 179.97 177.73 1ujs n ASN 73 N -4.15 0.47 0.05 7.04 3.02 0.14 -3.84 115.26 117.98 1ujs n ASN 73 Ca -0.02 0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.44 1ujs n ASN 73 Cb 0.22 1.14 -0.15 0.00 -0.61 0.00 0.00 39.78 40.39 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 0.32 0.44 3.52 4.81 0.12 -3.21 114.58 120.59 1ujs h GLU 74 Ca 0.00 -0.54 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1ujs h GLU 74 Cb 0.97 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ujs h GLU 74 CO 0.00 1.26 -0.21 -0.07 -0.73 0.00 0.00 179.01 179.26 1ujs h LEU 75 N -0.27 -0.51 -1.04 1.64 3.38 -1.06 -2.72 115.31 114.72 1ujs h LEU 75 Ca -0.21 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 57.94 1ujs h LEU 75 Cb 1.76 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 42.54 1ujs h LEU 75 CO 0.14 -0.32 0.61 0.11 0.09 0.00 0.00 178.44 179.08 1ujs h LYS 76 N -0.66 0.71 -0.40 1.13 1.57 -1.73 0.32 116.57 117.52 1ujs h LYS 76 Ca -0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ujs h LYS 76 Cb 0.49 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1ujs h LYS 76 CO 0.10 0.47 0.24 0.87 -0.57 0.00 0.00 179.45 180.56 1ujs h LYS 77 N 0.73 0.53 0.00 3.15 1.57 -1.49 0.28 116.57 121.35 1ujs h LYS 77 Ca 0.58 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 59.19 1ujs h LYS 77 Cb 0.94 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1ujs h LYS 77 CO -0.37 0.37 -0.85 1.96 -0.57 0.00 0.00 179.45 179.99 1ujs h GLN 78 N 0.54 0.00 -0.56 3.15 4.20 -0.19 -3.24 115.11 119.01 1ujs h GLN 78 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ujs h GLN 78 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1ujs h GLN 78 CO -0.03 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 1ujs n ALA 79 N -2.29 2.64 -2.80 3.87 0.00 0.07 -4.91 120.51 117.10 1ujs n ALA 79 Ca -0.02 -1.01 -0.18 0.00 0.00 0.00 0.00 53.44 52.22 1ujs n ALA 79 Cb 0.78 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 0.92 -3.02 -0.12 0.00 1.74 -0.27 -4.75 116.66 111.16 1ujs n ARG 80 Ca 0.18 0.69 0.04 0.00 -0.77 0.00 0.00 57.85 57.99 1ujs n ARG 80 Cb 0.54 -5.38 0.10 0.00 -1.02 0.00 0.00 32.46 26.71 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 -3.33 2.57 -4.49 0.55 4.77 0.84 0.26 117.00 118.17 1ujs n LEU 81 Ca -0.12 -2.32 -0.30 0.00 -0.03 0.00 0.00 56.01 53.24 1ujs n LEU 81 Cb 0.61 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 1ujs n LEU 81 CO 0.34 0.63 -0.48 0.12 -1.33 0.00 0.00 177.39 176.67 1ujs s PHE 82 N -1.56 2.60 -0.26 -1.77 2.19 -1.08 -4.34 117.98 113.76 1ujs s PHE 82 Ca 0.18 -0.23 -0.01 0.00 0.33 0.00 0.00 56.93 57.19 1ujs s PHE 82 Cb 0.13 -1.44 0.14 0.00 -1.31 0.00 0.00 43.02 40.54 1ujs s PHE 82 CO 0.06 0.32 0.37 0.45 1.83 0.00 0.00 175.22 178.25 1ujs s SER 83 N -1.72 0.47 -0.15 6.13 0.15 -1.20 -4.87 113.70 112.51 1ujs s SER 83 Ca 0.16 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 1ujs s SER 83 Cb -0.11 1.02 -0.05 0.00 -1.71 0.00 0.00 66.02 65.18 1ujs s SER 83 CO 0.08 -0.32 1.89 -0.83 1.20 0.00 0.00 173.24 175.25 1ujs s GLY 84 N 2.52 1.08 0.75 9.45 0.00 -1.26 -4.68 107.32 115.17 1ujs s GLY 84 Ca 0.11 0.79 -0.11 0.00 0.00 0.00 0.00 44.72 45.51 1ujs s GLY 84 CO -0.21 3.37 1.09 2.56 0.00 0.00 0.00 173.10 179.91 1ujs s PRO 85 N 5.11 2.36 -1.44 2.90 0.04 -1.26 -3.78 135.00 138.92 1ujs s PRO 85 Ca 0.85 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 1ujs s PRO 85 Cb -0.32 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1ujs s PRO 85 CO 0.34 -1.57 0.24 0.45 0.04 0.00 0.00 177.00 176.51 1ujs n SER 86 N -3.30 -0.44 -0.07 6.66 2.88 -1.26 -4.86 113.62 113.22 1ujs n SER 86 Ca 0.09 -1.21 -0.15 0.00 -1.33 0.00 0.00 58.87 56.27 1ujs n SER 86 Cb 0.53 -1.99 -0.05 0.00 -0.75 0.00 0.00 64.21 61.95 1ujs n SER 86 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujs n SER 87 N -2.77 1.32 -0.12 -3.46 2.88 -1.25 -5.33 113.62 104.90 1ujs n SER 87 Ca -0.28 0.22 0.01 0.00 -1.33 0.00 0.00 58.87 57.50 1ujs n SER 87 Cb 0.67 -0.53 0.01 0.00 -0.75 0.00 0.00 64.21 63.61 1ujs n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42