#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 3.02 -0.00 1.61 1.04 -1.26 -4.75 113.70 113.35 1ujs s SER 2 Ca 0.00 -0.68 -0.24 0.00 0.48 0.00 0.00 55.95 55.51 1ujs s SER 2 Cb 0.00 -0.21 -0.16 0.00 0.10 0.00 0.00 66.02 65.75 1ujs s SER 2 CO 0.00 0.16 1.15 -1.28 0.98 0.00 0.00 173.24 174.26 1ujs h SER 3 N 4.20 -0.32 0.00 7.02 0.87 -1.96 -3.49 113.55 119.86 1ujs h SER 3 Ca -0.48 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1ujs h SER 3 Cb 1.17 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1ujs h SER 3 CO 0.40 0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 1ujs n GLY 4 N -0.12 1.60 0.73 5.77 0.00 -1.26 -4.92 105.19 106.99 1ujs n GLY 4 Ca -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 1.39 -4.65 1.61 2.88 -1.26 -4.98 113.62 108.61 1ujs n SER 5 Ca 0.00 0.20 -0.43 0.00 -1.33 0.00 0.00 58.87 57.31 1ujs n SER 5 Cb 0.00 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 62.97 1ujs n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujs s SER 6 N -5.97 6.80 -0.61 -3.46 0.01 -1.26 -4.97 113.70 104.23 1ujs s SER 6 Ca -0.10 1.51 -0.24 0.00 1.31 0.00 0.00 55.95 58.44 1ujs s SER 6 Cb 0.01 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.76 1ujs s SER 6 CO 0.14 -0.92 0.97 -0.83 0.41 0.00 0.00 173.24 173.02 1ujs s GLY 7 N 2.45 1.35 -0.01 3.44 0.00 -1.26 -4.76 107.32 108.54 1ujs s GLY 7 Ca 0.57 -1.53 -0.22 0.00 0.00 0.00 0.00 44.72 43.54 1ujs s GLY 7 CO 0.19 2.10 1.11 3.45 0.00 0.00 0.00 173.10 179.95 1ujs h ASN 8 N 9.48 0.38 -3.38 1.64 7.08 -2.02 -3.48 115.58 125.28 1ujs h ASN 8 Ca -0.27 -0.72 0.16 0.00 -3.08 0.00 0.00 56.30 52.38 1ujs h ASN 8 Cb 1.07 -0.12 -0.26 0.00 -2.08 0.00 0.00 38.32 36.93 1ujs h ASN 8 CO 1.14 1.04 0.74 0.00 -2.08 0.00 0.00 177.43 178.28 1ujs s ALA 9 N -3.37 -2.05 0.08 4.14 0.00 -1.26 -4.81 121.76 114.50 1ujs s ALA 9 Ca -0.14 1.75 -0.23 0.00 0.00 0.00 0.00 51.96 53.34 1ujs s ALA 9 Cb 0.03 -1.24 -0.13 0.00 0.00 0.00 0.00 23.12 21.78 1ujs s ALA 9 CO 0.78 -0.25 0.51 1.33 0.00 0.00 0.00 175.76 178.13 1ujs n VAL 10 N 0.90 0.82 0.23 0.00 0.24 -1.26 -4.75 118.33 114.51 1ujs n VAL 10 Ca -0.06 -0.20 -0.07 0.00 -2.04 0.00 0.00 64.34 61.96 1ujs n VAL 10 Cb 0.58 0.00 0.05 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 1.23 3.58 -3.13 -1.34 4.13 -1.26 -4.84 115.26 113.64 1ujs n ASN 11 Ca 0.13 -2.50 -0.18 0.00 1.68 0.00 0.00 54.58 53.71 1ujs n ASN 11 Cb 0.12 -0.66 0.15 0.00 -1.54 0.00 0.00 39.78 37.85 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 0.14 -3.50 0.00 3.10 7.02 -1.26 -4.63 117.44 118.31 1ujs n TRP 12 Ca 0.17 -0.58 0.00 0.00 -1.02 0.00 0.00 57.50 56.07 1ujs n TRP 12 Cb 0.80 -0.68 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 1ujs n TRP 12 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ujs n GLY 13 N -1.93 0.00 0.33 6.99 0.00 -1.26 -4.84 105.19 104.48 1ujs n GLY 13 Ca 0.09 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.28 1ujs n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujs h MET 14 N 0.00 0.39 -3.28 1.61 -0.00 -2.02 -3.44 114.93 108.19 1ujs h MET 14 Ca 0.00 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.70 59.60 1ujs h MET 14 Cb 0.34 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 31.83 1ujs h MET 14 CO 0.00 0.26 0.16 1.03 -0.00 0.00 0.00 176.91 178.35 1ujs s ARG 15 N -5.80 2.14 -0.66 -0.10 1.81 -1.26 -5.12 118.95 109.96 1ujs s ARG 15 Ca -0.11 -1.50 -0.04 0.00 -1.72 0.00 0.00 55.73 52.36 1ujs s ARG 15 Cb 0.27 0.58 0.17 0.00 -0.45 0.00 0.00 34.95 35.52 1ujs s ARG 15 CO 0.79 -0.97 0.49 -2.00 -0.68 0.00 0.00 175.30 172.92 1ujs s GLU 16 N -2.57 2.72 -0.61 3.54 2.12 -1.26 -4.65 118.70 117.99 1ujs s GLU 16 Ca 0.19 -2.54 -0.25 0.00 0.36 0.00 0.00 54.97 52.73 1ujs s GLU 16 Cb -0.04 -3.83 0.04 0.00 0.26 0.00 0.00 34.13 30.56 1ujs s GLU 16 CO 0.13 -1.19 1.07 0.71 -0.54 0.00 0.00 175.26 175.44 1ujs s TYR 17 N -0.06 2.63 0.52 5.30 2.02 -1.26 -5.01 117.35 121.50 1ujs s TYR 17 Ca 0.17 0.00 -0.23 0.00 -0.37 0.00 0.00 57.07 56.65 1ujs s TYR 17 Cb -0.19 -4.32 -0.06 0.00 -0.40 0.00 0.00 41.96 36.99 1ujs s TYR 17 CO -0.04 -1.59 1.36 1.17 -1.57 0.00 0.00 175.55 174.87 1ujs n LYS 18 N 8.10 1.80 -2.16 -0.62 4.81 -1.26 -4.10 118.16 124.73 1ujs n LYS 18 Ca 0.03 0.65 -0.42 0.00 -0.87 0.00 0.00 58.31 57.70 1ujs n LYS 18 Cb 0.48 -2.56 -0.03 0.00 0.02 0.00 0.00 35.03 32.94 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 -1.27 3.63 0.10 3.15 -1.09 -1.26 -4.62 121.20 119.84 1ujs s ILE 19 Ca 0.69 0.62 0.10 0.00 -2.23 0.00 0.00 60.65 59.83 1ujs s ILE 19 Cb -0.43 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1ujs s ILE 19 CO 0.51 -0.65 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.01 1ujs s TYR 20 N 6.56 2.19 0.46 3.97 2.02 0.13 -5.01 117.35 127.68 1ujs s TYR 20 Ca 0.70 -0.39 -0.23 0.00 -0.37 0.00 0.00 57.07 56.78 1ujs s TYR 20 Cb -0.17 -1.22 -0.07 0.00 -0.40 0.00 0.00 41.96 40.09 1ujs s TYR 20 CO 0.31 0.25 1.16 -1.25 -1.57 0.00 0.00 175.55 174.46 1ujs s PRO 21 N -1.79 3.75 0.25 -1.71 0.04 -1.26 -4.12 135.00 130.15 1ujs s PRO 21 Ca 0.12 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1ujs s PRO 21 Cb -0.10 -2.40 0.41 0.00 0.04 0.00 0.00 34.50 32.46 1ujs s PRO 21 CO 0.05 -0.55 1.82 -0.92 0.04 0.00 0.00 177.00 177.43 1ujs h TYR 22 N 2.04 0.92 -0.21 0.56 5.03 -1.93 0.13 116.97 123.51 1ujs h TYR 22 Ca -0.49 0.03 0.03 0.00 2.58 0.00 0.00 58.73 60.88 1ujs h TYR 22 Cb 1.25 -0.29 -0.05 0.00 1.55 0.00 0.00 36.73 39.19 1ujs h TYR 22 CO 0.53 0.39 -0.36 1.05 -1.32 0.00 0.00 178.16 178.45 1ujs h GLU 23 N 0.85 -0.28 0.00 1.82 4.11 -1.99 0.43 114.58 119.52 1ujs h GLU 23 Ca 0.41 0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.84 1ujs h GLU 23 Cb 0.36 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ujs h GLU 23 CO -0.24 -0.19 -0.09 1.37 0.07 0.00 0.00 179.01 179.93 1ujs h LEU 24 N -0.29 0.00 -0.57 3.06 8.10 -1.84 -2.46 115.31 121.30 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 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 1ujs h LEU 24 CO -0.36 0.09 0.00 0.18 -4.11 0.00 0.00 178.44 174.24 1ujs n LEU 25 N -3.22 0.80 -4.72 0.17 4.77 0.44 -2.50 117.00 112.73 1ujs n LEU 25 Ca 0.00 -0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 55.30 1ujs n LEU 25 Cb 0.35 -0.14 0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1ujs n LEU 25 CO 0.30 0.18 0.67 -0.76 -1.33 0.00 0.00 177.39 176.45 1ujs s LEU 26 N -0.93 1.91 0.00 2.23 1.43 -0.19 -4.57 118.68 118.56 1ujs s LEU 26 Ca 0.08 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1ujs s LEU 26 Cb 0.05 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1ujs s LEU 26 CO 0.05 -2.79 0.38 0.55 0.23 0.00 0.00 176.35 174.77 1ujs n VAL 27 N -3.95 0.13 -1.68 -1.59 3.14 0.69 -4.71 118.33 110.36 1ujs n VAL 27 Ca 0.06 -0.19 -0.53 0.00 -2.96 0.00 0.00 64.34 60.72 1ujs n VAL 27 Cb 0.57 1.31 -0.06 0.00 -1.06 0.00 0.00 33.84 34.60 1ujs n VAL 27 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1ujs n THR 28 N -0.06 0.44 0.23 1.55 5.66 -1.26 -4.89 114.28 115.94 1ujs n THR 28 Ca 0.00 -0.09 -0.10 0.00 -3.05 0.00 0.00 64.05 60.80 1ujs n THR 28 Cb 0.31 -1.56 -0.05 0.00 -1.55 0.00 0.00 70.33 67.47 1ujs n THR 28 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1ujs h THR 29 N 5.47 0.00 0.00 1.09 2.02 -1.98 -2.15 112.91 117.36 1ujs h THR 29 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1ujs h THR 29 Cb 1.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1ujs h THR 29 CO 0.96 0.00 0.00 -2.11 0.37 0.00 0.00 175.52 174.74 1ujs n ARG 30 N -3.93 0.51 -1.10 6.66 1.85 -1.26 -4.74 116.66 114.65 1ujs n ARG 30 Ca -0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.75 1ujs n ARG 30 Cb 0.27 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.19 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 0.04 1.42 3.36 2.89 0.00 -0.81 -5.05 105.19 107.04 1ujs n GLY 31 Ca 0.12 -2.07 -0.45 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.52 3.14 -0.66 1.61 1.70 -1.26 -4.91 118.95 116.05 1ujs s ARG 32 Ca 0.08 -1.61 -0.18 0.00 -0.47 0.00 0.00 55.73 53.55 1ujs s ARG 32 Cb -0.01 -4.34 0.12 0.00 -0.57 0.00 0.00 34.95 30.15 1ujs s ARG 32 CO 0.05 -1.47 0.76 -0.80 -1.08 0.00 0.00 175.30 172.77 1ujs s ASN 33 N 3.43 6.31 -0.42 -2.89 -0.87 -1.26 -4.84 114.94 114.39 1ujs s ASN 33 Ca 0.12 -1.66 0.05 0.00 -1.57 0.00 0.00 52.86 49.79 1ujs s ASN 33 Cb -0.22 -2.30 0.66 0.00 -0.02 0.00 0.00 41.25 39.36 1ujs s ASN 33 CO 0.02 -1.05 1.87 -1.14 -2.57 0.00 0.00 177.10 174.24 1ujs n ARG 34 N 6.08 2.43 -1.64 -0.60 0.00 -1.25 -5.00 116.66 116.68 1ujs n ARG 34 Ca -0.03 -2.92 -0.48 0.00 -0.00 0.00 0.00 57.85 54.43 1ujs n ARG 34 Cb 0.44 -2.15 -0.04 0.00 0.00 0.00 0.00 32.46 30.70 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 -0.94 2.59 0.00 6.15 4.77 -1.04 -4.88 117.00 123.65 1ujs n LEU 35 Ca 0.55 1.11 -0.14 0.00 -0.03 0.00 0.00 56.01 57.50 1ujs n LEU 35 Cb 1.60 -1.35 0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1ujs n LEU 35 CO 0.56 -0.60 0.29 -0.81 -1.33 0.00 0.00 177.39 175.50 1ujs n PRO 36 N 2.84 -2.03 -0.38 3.23 -0.04 -1.26 -4.96 135.00 132.39 1ujs n PRO 36 Ca 0.16 -0.83 0.12 0.00 -0.04 0.00 0.00 63.50 62.91 1ujs n PRO 36 Cb 0.26 -0.77 0.33 0.00 -0.04 0.00 0.00 33.50 33.27 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 -3.09 2.77 -0.10 0.54 2.85 -1.26 -4.11 118.16 115.77 1ujs n LYS 37 Ca 0.07 -2.68 0.07 0.00 -1.05 0.00 0.00 58.31 54.72 1ujs n LYS 37 Cb 0.28 -1.58 0.10 0.00 -0.65 0.00 0.00 35.03 33.17 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 1.64 2.00 -4.83 -5.58 2.03 -1.26 -5.04 116.55 105.50 1ujs n ASP 38 Ca 0.25 -2.74 -0.25 0.00 0.52 0.00 0.00 54.79 52.57 1ujs n ASP 38 Cb 0.63 -0.32 -0.05 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.19 4.63 -0.37 5.18 -7.23 -1.26 -4.40 120.40 114.76 1ujs s VAL 39 Ca 0.22 -1.09 -0.08 0.00 -1.81 0.00 0.00 61.98 59.22 1ujs s VAL 39 Cb 0.20 -3.40 0.05 0.00 0.56 0.00 0.00 36.38 33.79 1ujs s VAL 39 CO 0.02 -0.17 0.17 -1.81 -0.31 0.00 0.00 175.10 173.00 1ujs s ASP 40 N -3.32 5.47 0.45 4.85 1.11 -1.26 -4.94 116.67 119.03 1ujs s ASP 40 Ca 0.32 -1.29 0.17 0.00 0.18 0.00 0.00 52.55 51.94 1ujs s ASP 40 Cb -0.10 -1.92 0.94 0.00 1.07 0.00 0.00 42.92 42.91 1ujs s ASP 40 CO 0.25 -0.41 1.46 0.03 1.18 0.00 0.00 175.17 177.67 1ujs h ARG 41 N 8.30 0.00 0.00 8.23 -0.00 -1.98 1.65 114.38 130.57 1ujs h ARG 41 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.25 1ujs h ARG 41 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.05 1ujs h ARG 41 CO 0.66 0.00 -1.89 0.25 0.00 0.00 0.00 179.97 179.00 1ujs n THR 42 N -2.33 0.00 -1.84 2.04 -2.24 -1.26 -3.39 114.28 105.27 1ujs n THR 42 Ca -0.01 -0.44 0.05 0.00 -2.27 0.00 0.00 64.05 61.38 1ujs n THR 42 Cb 0.39 0.06 0.13 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.18 0.98 -0.33 -0.78 5.12 0.30 -4.82 116.66 114.96 1ujs n ARG 43 Ca -0.04 -2.69 0.11 0.00 -1.93 0.00 0.00 57.85 53.30 1ujs n ARG 43 Cb 0.51 -1.05 0.31 0.00 -1.16 0.00 0.00 32.46 31.07 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 0.83 0.79 -1.47 0.55 3.38 0.17 0.85 115.31 120.42 1ujs h LEU 44 Ca -0.07 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ujs h LEU 44 Cb 1.30 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1ujs h LEU 44 CO 0.03 0.38 0.21 1.05 0.09 0.00 0.00 178.44 180.20 1ujs h GLU 45 N 0.83 0.57 0.00 1.13 9.09 -1.84 -0.71 114.58 123.64 1ujs h GLU 45 Ca 0.50 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1ujs h GLU 45 Cb 0.69 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 1ujs h GLU 45 CO -0.27 0.43 0.00 0.00 0.05 0.00 0.00 179.01 179.22 1ujs h ARG 46 N 0.58 0.00 -0.00 1.06 3.08 -1.20 -0.54 114.38 117.35 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 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1ujs h ARG 46 CO -0.02 0.00 -0.04 0.72 -1.07 0.00 0.00 179.97 179.56 1ujs n HIS 47 N -2.87 0.00 -3.31 3.04 8.25 -0.27 -4.78 115.22 115.27 1ujs n HIS 47 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1ujs n HIS 47 Cb 0.16 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.36 4.25 0.37 2.41 1.43 -0.21 0.22 118.68 124.79 1ujs s LEU 48 Ca 0.34 0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 53.94 1ujs s LEU 48 Cb 0.21 -2.69 -0.11 0.00 0.03 0.00 0.00 46.19 43.63 1ujs s LEU 48 CO 0.44 -0.03 1.47 -0.94 0.23 0.00 0.00 176.35 177.52 1ujs s SER 49 N 0.72 6.39 0.61 2.29 1.04 -1.26 -4.25 113.70 119.24 1ujs s SER 49 Ca 0.25 3.01 0.24 0.00 0.48 0.00 0.00 55.95 59.93 1ujs s SER 49 Cb -0.15 -2.66 0.85 0.00 0.10 0.00 0.00 66.02 64.16 1ujs s SER 49 CO 0.10 -0.84 1.31 1.56 0.98 0.00 0.00 173.24 176.35 1ujs h GLN 50 N 3.14 0.00 -0.01 4.02 4.20 -1.96 1.15 115.11 125.65 1ujs h GLN 50 Ca -0.50 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.14 1ujs h GLN 50 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1ujs h GLN 50 CO 0.65 0.00 -0.25 0.93 -0.67 0.00 0.00 178.83 179.49 1ujs h GLU 51 N 0.00 0.18 0.00 1.46 5.08 -1.98 -3.29 114.58 116.03 1ujs h GLU 51 Ca 0.42 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1ujs h GLU 51 Cb 2.71 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 32.00 1ujs h GLU 51 CO -0.00 0.91 -0.25 0.93 -1.00 0.00 0.00 179.01 179.60 1ujs h GLU 52 N -0.49 0.00 -1.61 2.33 4.39 0.76 -3.14 114.58 116.82 1ujs h GLU 52 Ca -0.03 0.00 0.48 0.00 0.34 0.00 0.00 59.36 60.16 1ujs h GLU 52 Cb 0.99 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.56 1ujs h GLU 52 CO 0.05 0.68 1.13 0.34 -1.16 0.00 0.00 179.01 180.05 1ujs n PHE 53 N -4.62 0.16 0.07 4.33 -0.00 0.14 0.23 117.46 117.77 1ujs n PHE 53 Ca -0.11 0.17 -0.23 0.00 -0.00 0.00 0.00 57.45 57.28 1ujs n PHE 53 Cb 0.38 -0.60 -0.15 0.00 -0.00 0.00 0.00 39.48 39.11 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 -1.62 -2.52 116.97 113.45 1ujs h TYR 54 Ca 0.82 -0.52 0.00 0.00 2.58 0.00 0.00 58.73 61.60 1ujs h TYR 54 Cb 3.12 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.37 1ujs h TYR 54 CO -0.00 1.67 0.00 1.96 -1.32 0.00 0.00 178.16 180.47 1ujs h GLN 55 N 0.11 0.00 0.00 1.82 4.20 0.29 1.79 115.11 123.32 1ujs h GLN 55 Ca -0.34 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.27 1ujs h GLN 55 Cb 2.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.87 1ujs h GLN 55 CO 0.18 0.00 -1.28 0.28 -0.67 0.00 0.00 178.83 177.34 1ujs n VAL 56 N -2.42 1.50 0.08 -0.54 0.31 -0.17 -4.65 118.33 112.44 1ujs n VAL 56 Ca -0.00 0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.25 1ujs n VAL 56 Cb 0.13 -2.25 -0.13 0.00 -0.91 0.00 0.00 33.84 30.68 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 0.26 0.00 3.52 -1.00 -1.44 -3.48 116.94 113.79 1ujs h PHE 57 Ca -0.15 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.44 1ujs h PHE 57 Cb 1.09 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1ujs h PHE 57 CO -0.33 1.16 0.00 0.41 -1.61 0.00 0.00 178.31 177.94 1ujs n GLY 58 N 1.47 1.20 3.83 -1.45 0.00 0.61 -5.04 105.19 105.82 1ujs n GLY 58 Ca -0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 1.62 -0.03 1.61 0.23 -1.19 -4.99 119.30 115.70 1ujs s MET 59 Ca 0.00 -1.01 -0.09 0.00 -1.03 0.00 0.00 55.69 53.56 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 -0.75 0.27 0.95 -2.03 0.00 0.00 175.02 173.46 1ujs s THR 60 N -2.60 5.28 0.38 3.16 -4.23 -1.26 -3.28 115.64 113.09 1ujs s THR 60 Ca 0.17 0.38 0.23 0.00 -1.18 0.00 0.00 61.69 61.30 1ujs s THR 60 Cb -0.03 -3.56 0.38 0.00 1.34 0.00 0.00 72.50 70.63 1ujs s THR 60 CO 0.07 0.50 1.53 0.00 -0.54 0.00 0.00 174.62 176.18 1ujs n ILE 61 N 1.57 -0.36 -0.29 2.99 0.13 -1.26 0.17 119.36 122.31 1ujs n ILE 61 Ca -0.15 1.91 0.00 0.00 -1.10 0.00 0.00 62.75 63.41 1ujs n ILE 61 Cb 0.53 -3.11 0.13 0.00 -0.84 0.00 0.00 39.64 36.35 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 0.76 0.61 9.51 0.87 -2.00 -0.24 113.55 123.07 1ujs h SER 62 Ca 0.83 0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 61.14 1ujs h SER 62 Cb 2.34 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.17 1ujs h SER 62 CO -0.67 0.49 -1.22 -0.33 -0.53 0.00 0.00 176.83 174.58 1ujs h GLU 63 N 0.90 0.28 0.07 2.24 5.08 0.13 -3.27 114.58 120.01 1ujs h GLU 63 Ca 0.35 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ujs h GLU 63 Cb 0.17 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ujs h GLU 63 CO -0.17 1.21 -0.04 0.35 -1.00 0.00 0.00 179.01 179.36 1ujs h PHE 64 N 0.08 -0.10 0.00 4.33 3.57 -0.46 -1.42 116.94 122.94 1ujs h PHE 64 Ca -0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1ujs h PHE 64 Cb 1.94 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.72 1ujs h PHE 64 CO 0.06 -0.06 0.00 0.22 -2.23 0.00 0.00 178.31 176.30 1ujs h ASP 65 N -0.11 0.00 -0.10 0.41 1.82 -1.17 0.22 116.42 117.50 1ujs h ASP 65 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1ujs h ASP 65 Cb 0.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1ujs h ASP 65 CO 0.01 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.18 1ujs n ARG 66 N -2.90 1.63 -2.20 0.28 1.74 -0.55 -4.90 116.66 109.76 1ujs n ARG 66 Ca -0.03 -0.94 -0.27 0.00 -0.77 0.00 0.00 57.85 55.84 1ujs n ARG 66 Cb 0.07 -1.42 0.16 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.74 2.82 0.17 0.55 1.43 0.79 -5.05 118.68 117.64 1ujs s LEU 67 Ca 0.35 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.17 1ujs s LEU 67 Cb 0.19 -2.11 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 1ujs s LEU 67 CO 0.29 -2.42 0.78 0.00 0.23 0.00 0.00 176.35 175.23 1ujs s ALA 68 N -3.60 3.44 0.25 4.21 0.00 -1.26 -4.82 121.76 119.98 1ujs s ALA 68 Ca 0.71 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.98 1ujs s ALA 68 Cb -0.04 -2.97 0.44 0.00 0.00 0.00 0.00 23.12 20.55 1ujs s ALA 68 CO 0.50 0.28 1.39 -0.11 0.00 0.00 0.00 175.76 177.82 1ujs n LEU 69 N 1.63 -0.30 -0.36 0.00 -0.00 -1.26 0.19 117.00 116.91 1ujs n LEU 69 Ca -0.05 1.53 -0.02 0.00 -0.00 0.00 0.00 56.01 57.47 1ujs n LEU 69 Cb 0.49 -0.48 0.11 0.00 -0.00 0.00 0.00 43.42 43.54 1ujs n LEU 69 CO 0.46 -1.48 1.28 4.11 -0.00 0.00 0.00 177.39 181.76 1ujs h TRP 70 N 0.00 1.22 -0.23 1.96 5.08 -1.97 0.12 115.95 122.13 1ujs h TRP 70 Ca 0.44 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 60.37 1ujs h TRP 70 Cb 0.71 -0.41 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 1ujs h TRP 70 CO -0.66 0.75 -0.13 -0.22 -1.28 0.00 0.00 178.44 176.90 1ujs h LYS 71 N 1.30 0.49 0.00 0.12 1.63 0.17 0.84 116.57 121.13 1ujs h LYS 71 Ca 0.36 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1ujs h LYS 71 Cb -0.13 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1ujs h LYS 71 CO -0.09 0.78 -0.19 0.00 -3.45 0.00 0.00 179.45 176.51 1ujs h ARG 72 N 0.20 0.00 0.00 1.90 3.08 -0.12 0.99 114.38 120.43 1ujs h ARG 72 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ujs h ARG 72 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1ujs h ARG 72 CO 0.04 0.19 -1.47 0.09 -1.07 0.00 0.00 179.97 177.75 1ujs n ASN 73 N -4.06 0.42 0.04 7.04 3.02 0.00 -3.91 115.26 117.81 1ujs n ASN 73 Ca -0.02 0.04 -0.22 0.00 -0.03 0.00 0.00 54.58 54.35 1ujs n ASN 73 Cb 0.27 1.25 -0.14 0.00 -0.61 0.00 0.00 39.78 40.54 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 0.31 0.41 3.52 4.81 0.13 -3.26 114.58 120.50 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 0.94 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1ujs h GLU 74 CO 0.00 1.26 -0.20 -0.07 -0.73 0.00 0.00 179.01 179.27 1ujs h LEU 75 N -0.21 -0.47 -1.02 1.64 3.38 -1.01 -2.63 115.31 114.98 1ujs h LEU 75 Ca -0.26 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.91 1ujs h LEU 75 Cb 1.83 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 42.59 1ujs h LEU 75 CO 0.12 -0.32 0.61 0.11 0.09 0.00 0.00 178.44 179.06 1ujs h LYS 76 N -0.58 0.71 -0.37 1.13 1.57 -1.74 0.35 116.57 117.64 1ujs h LYS 76 Ca -0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1ujs h LYS 76 Cb 0.44 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1ujs h LYS 76 CO 0.09 0.47 0.17 0.87 -0.57 0.00 0.00 179.45 180.49 1ujs h LYS 77 N 0.73 0.51 0.00 3.15 1.57 -1.52 0.26 116.57 121.28 1ujs h LYS 77 Ca 0.59 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1ujs h LYS 77 Cb 0.96 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1ujs h LYS 77 CO -0.39 0.40 -0.43 1.96 -0.57 0.00 0.00 179.45 180.43 1ujs h GLN 78 N 0.51 0.00 -0.73 3.15 4.20 -0.11 -3.24 115.11 118.91 1ujs h GLN 78 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1ujs h GLN 78 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1ujs h GLN 78 CO -0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 1ujs n ALA 79 N -2.12 2.45 -2.79 3.87 0.00 0.08 -4.93 120.51 117.07 1ujs n ALA 79 Ca 0.02 -1.30 -0.20 0.00 0.00 0.00 0.00 53.44 51.96 1ujs n ALA 79 Cb 0.53 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 1.59 -3.18 -0.07 0.00 1.74 -0.24 -4.76 116.66 111.75 1ujs n ARG 80 Ca 0.24 0.78 0.03 0.00 -0.77 0.00 0.00 57.85 58.13 1ujs n ARG 80 Cb 0.64 -5.50 0.06 0.00 -1.02 0.00 0.00 32.46 26.64 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 -3.43 2.33 -4.55 0.55 4.77 0.76 0.25 117.00 117.68 1ujs n LEU 81 Ca -0.14 -2.17 -0.32 0.00 -0.03 0.00 0.00 56.01 53.35 1ujs n LEU 81 Cb 0.62 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1ujs n LEU 81 CO 0.36 0.58 -0.42 0.12 -1.33 0.00 0.00 177.39 176.71 1ujs s PHE 82 N -1.30 2.79 0.00 -1.77 2.19 -1.08 -4.47 117.98 114.34 1ujs s PHE 82 Ca 0.11 -0.10 0.00 0.00 0.33 0.00 0.00 56.93 57.27 1ujs s PHE 82 Cb 0.07 -1.58 0.00 0.00 -1.31 0.00 0.00 43.02 40.20 1ujs s PHE 82 CO 0.04 0.32 0.00 0.45 1.83 0.00 0.00 175.22 177.86 1ujs n SER 83 N 1.69 1.15 0.00 6.13 2.88 -1.22 -4.86 113.62 119.39 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 2.97 0.78 3.65 0.46 0.00 -1.26 -5.12 105.19 106.66 1ujs n GLY 84 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.12 -0.08 0.42 1.61 0.04 -1.26 -5.09 135.00 130.52 1ujs s PRO 85 Ca 0.00 0.33 0.04 0.00 0.04 0.00 0.00 61.00 61.42 1ujs s PRO 85 Cb 0.00 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 1ujs s PRO 85 CO 0.00 -3.04 0.15 -1.54 0.04 0.00 0.00 177.00 172.61 1ujs s SER 86 N -3.58 2.87 -0.18 6.66 1.04 -1.26 -5.09 113.70 114.16 1ujs s SER 86 Ca 0.67 -1.72 -0.06 0.00 0.48 0.00 0.00 55.95 55.32 1ujs s SER 86 Cb -0.16 0.59 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 1ujs s SER 86 CO 0.57 -0.98 -0.21 -1.20 0.98 0.00 0.00 173.24 172.40 1ujs n SER 87 N -1.43 1.75 0.00 7.02 7.64 -1.26 -5.28 113.62 122.06 1ujs n SER 87 Ca -0.06 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1ujs n SER 87 Cb 0.65 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1ujs n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64