#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 -4.41 1.61 0.02 -2.07 -3.49 113.55 105.20 1ujs h SER 2 Ca 0.00 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1ujs h SER 2 Cb 0.00 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.33 1ujs h SER 2 CO 0.00 0.76 0.28 -0.94 -1.14 0.00 0.00 176.83 175.79 1ujs s SER 3 N -5.87 -0.59 0.00 3.07 1.04 -1.26 -5.10 113.70 104.98 1ujs s SER 3 Ca -0.10 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1ujs s SER 3 Cb -0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1ujs s SER 3 CO 0.27 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1ujs n GLY 4 N 1.38 1.35 3.65 7.32 0.00 -1.26 -5.04 105.19 112.59 1ujs n GLY 4 Ca -0.15 -0.03 -0.55 0.00 0.00 0.00 0.00 46.02 45.29 1ujs n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujs n SER 5 N 0.00 2.06 -4.41 1.61 7.64 -1.26 -4.83 113.62 114.43 1ujs n SER 5 Ca 0.00 1.09 -0.40 0.00 1.01 0.00 0.00 58.87 60.57 1ujs n SER 5 Cb 0.00 -1.17 0.02 0.00 -1.01 0.00 0.00 64.21 62.04 1ujs n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ujs n SER 6 N 4.02 -1.58 -3.79 6.43 3.41 -1.26 -5.00 113.62 115.85 1ujs n SER 6 Ca 0.22 0.81 -0.11 0.00 -0.26 0.00 0.00 58.87 59.53 1ujs n SER 6 Cb 0.16 -1.07 -0.08 0.00 -0.26 0.00 0.00 64.21 62.97 1ujs n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ujs s GLY 7 N -1.03 -0.07 0.07 5.00 0.00 -1.26 -5.08 107.32 104.96 1ujs s GLY 7 Ca 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1ujs s GLY 7 CO 0.59 -0.27 0.00 0.70 0.00 0.00 0.00 173.10 174.12 1ujs n ASN 8 N 0.70 0.74 0.00 1.64 3.02 -1.26 -4.93 115.26 115.17 1ujs n ASN 8 Ca -0.19 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1ujs n ASN 8 Cb 0.59 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1ujs n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujs n ALA 9 N -3.33 -0.17 -3.80 5.41 0.00 -1.26 -4.94 120.51 112.41 1ujs n ALA 9 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ujs n ALA 9 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 1ujs n ALA 9 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ujs n VAL 10 N -1.12 0.00 -2.70 0.00 0.24 -1.26 -4.77 118.33 108.72 1ujs n VAL 10 Ca 0.00 -1.29 -0.23 0.00 -2.04 0.00 0.00 64.34 60.78 1ujs n VAL 10 Cb 0.00 -0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 32.19 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 -1.83 3.67 -4.72 -1.34 3.02 -1.26 -4.74 115.26 108.07 1ujs n ASN 11 Ca -0.02 -3.46 -0.28 0.00 -0.03 0.00 0.00 54.58 50.79 1ujs n ASN 11 Cb 0.37 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.95 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1ujs s TRP 12 N -3.34 3.01 -0.23 3.10 0.52 -1.26 -5.05 118.94 115.69 1ujs s TRP 12 Ca 0.44 -0.04 -0.04 0.00 0.02 0.00 0.00 56.10 56.48 1ujs s TRP 12 Cb 0.38 -1.50 -0.18 0.00 -1.15 0.00 0.00 33.47 31.02 1ujs s TRP 12 CO -0.12 0.50 -0.11 0.41 0.02 0.00 0.00 176.95 177.65 1ujs n GLY 13 N 0.18 -0.44 0.19 0.98 0.00 -1.26 -4.62 105.19 100.21 1ujs n GLY 13 Ca -0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 1ujs n GLY 13 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ujs h MET 14 N -0.22 -0.28 -4.98 1.61 2.86 -2.03 -3.46 114.93 108.43 1ujs h MET 14 Ca -0.56 0.02 -0.48 0.00 -2.06 0.00 0.00 59.70 56.62 1ujs h MET 14 Cb 1.84 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 33.43 1ujs h MET 14 CO -0.12 -0.19 -0.54 1.03 1.06 0.00 0.00 176.91 178.15 1ujs s ARG 15 N -4.07 1.75 -0.45 1.72 1.81 -1.26 -5.12 118.95 113.32 1ujs s ARG 15 Ca -0.06 -2.03 -0.03 0.00 -1.72 0.00 0.00 55.73 51.89 1ujs s ARG 15 Cb 0.02 -0.32 0.12 0.00 -0.45 0.00 0.00 34.95 34.32 1ujs s ARG 15 CO 0.24 -0.46 0.25 -2.00 -0.68 0.00 0.00 175.30 172.65 1ujs s GLU 16 N -3.74 2.11 -0.59 3.54 2.12 -1.26 -4.54 118.70 116.34 1ujs s GLU 16 Ca 0.31 -1.97 -0.21 0.00 0.36 0.00 0.00 54.97 53.46 1ujs s GLU 16 Cb 0.04 -3.61 0.07 0.00 0.26 0.00 0.00 34.13 30.89 1ujs s GLU 16 CO 0.17 -1.09 0.83 0.71 -0.54 0.00 0.00 175.26 175.33 1ujs s TYR 17 N 0.89 2.85 0.31 5.30 2.02 -1.26 -5.02 117.35 122.44 1ujs s TYR 17 Ca 0.10 -0.54 -0.28 0.00 -0.37 0.00 0.00 57.07 55.98 1ujs s TYR 17 Cb -0.22 -4.02 -0.13 0.00 -0.40 0.00 0.00 41.96 37.18 1ujs s TYR 17 CO -0.04 -1.38 1.18 1.17 -1.57 0.00 0.00 175.55 174.91 1ujs n LYS 18 N 7.02 1.77 -2.08 -0.62 4.81 -1.26 -4.13 118.16 123.67 1ujs n LYS 18 Ca -0.05 0.62 -0.43 0.00 -0.87 0.00 0.00 58.31 57.59 1ujs n LYS 18 Cb 0.45 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.36 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 -0.97 3.56 0.10 3.15 -1.09 -1.26 -4.66 121.20 120.03 1ujs s ILE 19 Ca 0.58 0.55 0.10 0.00 -2.23 0.00 0.00 60.65 59.65 1ujs s ILE 19 Cb -0.64 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 1ujs s ILE 19 CO 0.60 -0.54 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.24 1ujs s TYR 20 N 6.78 2.42 0.29 3.97 2.02 0.15 -5.00 117.35 127.98 1ujs s TYR 20 Ca 0.74 -0.33 -0.29 0.00 -0.37 0.00 0.00 57.07 56.83 1ujs s TYR 20 Cb -0.20 -1.33 -0.10 0.00 -0.40 0.00 0.00 41.96 39.94 1ujs s TYR 20 CO 0.32 0.32 1.24 -1.25 -1.57 0.00 0.00 175.55 174.61 1ujs s PRO 21 N -1.91 4.45 0.25 -1.71 0.04 -1.26 -4.20 135.00 130.67 1ujs s PRO 21 Ca 0.15 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.20 1ujs s PRO 21 Cb -0.10 -3.13 0.49 0.00 0.04 0.00 0.00 34.50 31.80 1ujs s PRO 21 CO 0.07 -0.07 1.66 -0.92 0.04 0.00 0.00 177.00 177.78 1ujs h TYR 22 N 3.83 0.17 -0.23 0.56 3.20 -1.93 0.21 116.97 122.78 1ujs h TYR 22 Ca -0.48 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.47 1ujs h TYR 22 Cb 1.22 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 1ujs h TYR 22 CO 0.58 -0.16 -0.19 1.05 -1.64 0.00 0.00 178.16 177.79 1ujs h GLU 23 N 0.19 -0.07 0.00 1.82 4.11 -1.99 0.25 114.58 118.90 1ujs h GLU 23 Ca 0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.85 1ujs h GLU 23 Cb 0.78 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ujs h GLU 23 CO -0.59 -0.04 -0.09 1.37 0.07 0.00 0.00 179.01 179.73 1ujs h LEU 24 N -0.07 0.00 -0.57 3.06 8.10 -1.76 -2.06 115.31 122.00 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 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1ujs h LEU 24 CO -0.26 0.09 0.00 0.18 -4.11 0.00 0.00 178.44 174.34 1ujs n LEU 25 N -3.30 0.79 -4.76 0.17 4.77 0.70 -2.35 117.00 113.02 1ujs n LEU 25 Ca -0.01 -0.39 -0.29 0.00 -0.03 0.00 0.00 56.01 55.29 1ujs n LEU 25 Cb 0.30 -0.15 0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1ujs n LEU 25 CO 0.29 0.18 0.69 -0.76 -1.33 0.00 0.00 177.39 176.45 1ujs s LEU 26 N -0.90 2.12 -0.01 2.23 1.43 0.06 -4.59 118.68 119.02 1ujs s LEU 26 Ca 0.08 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1ujs s LEU 26 Cb 0.04 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.71 1ujs s LEU 26 CO 0.05 -2.54 0.77 0.55 0.23 0.00 0.00 176.35 175.41 1ujs n VAL 27 N -3.79 0.33 -1.70 -1.59 3.14 0.68 -4.65 118.33 110.76 1ujs n VAL 27 Ca 0.06 -0.36 -0.42 0.00 -2.96 0.00 0.00 64.34 60.66 1ujs n VAL 27 Cb 0.57 0.68 -0.03 0.00 -1.06 0.00 0.00 33.84 34.00 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 -0.42 3.09 0.05 1.55 -1.32 -1.26 -4.90 115.64 112.43 1ujs s THR 28 Ca 0.03 0.11 -0.21 0.00 -1.21 0.00 0.00 61.69 60.40 1ujs s THR 28 Cb 0.02 -3.09 -0.10 0.00 -1.51 0.00 0.00 72.50 67.82 1ujs s THR 28 CO 0.00 -0.03 1.33 0.74 -2.21 0.00 0.00 174.62 174.45 1ujs h THR 29 N 6.23 0.00 0.00 5.08 2.02 -1.98 -1.41 112.91 122.85 1ujs h THR 29 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1ujs h THR 29 Cb 1.23 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1ujs h THR 29 CO 0.95 0.00 0.00 -2.11 0.37 0.00 0.00 175.52 174.73 1ujs n ARG 30 N -4.18 0.12 -0.28 6.66 1.85 -1.26 -4.72 116.66 114.85 1ujs n ARG 30 Ca -0.07 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1ujs n ARG 30 Cb 0.27 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 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 -0.29 0.38 3.24 2.89 0.00 -0.53 -5.02 105.19 105.86 1ujs n GLY 31 Ca 0.05 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1ujs n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujs s ARG 32 N -0.98 3.71 -0.83 1.61 0.52 -1.26 -4.93 118.95 116.80 1ujs s ARG 32 Ca 0.00 -3.13 -0.26 0.00 -0.52 0.00 0.00 55.73 51.82 1ujs s ARG 32 Cb 0.00 -4.27 0.03 0.00 0.52 0.00 0.00 34.95 31.23 1ujs s ARG 32 CO 0.00 -1.25 1.38 -0.80 0.02 0.00 0.00 175.30 174.65 1ujs s ASN 33 N 0.82 6.20 -0.24 0.23 0.01 -1.26 -4.82 114.94 115.88 1ujs s ASN 33 Ca 0.27 -0.73 0.07 0.00 -0.71 0.00 0.00 52.86 51.77 1ujs s ASN 33 Cb -0.10 -2.56 0.56 0.00 0.41 0.00 0.00 41.25 39.56 1ujs s ASN 33 CO -0.10 -1.78 1.52 -1.14 -1.51 0.00 0.00 177.10 174.09 1ujs n ARG 34 N 9.21 3.06 -1.59 -0.60 0.00 -1.25 -4.98 116.66 120.50 1ujs n ARG 34 Ca 0.14 -2.27 -0.55 0.00 -0.00 0.00 0.00 57.85 55.18 1ujs n ARG 34 Cb 0.50 -1.98 -0.07 0.00 0.00 0.00 0.00 32.46 30.91 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 -0.03 1.35 0.00 6.15 4.77 -0.99 -4.90 117.00 123.35 1ujs n LEU 35 Ca 0.30 1.13 -0.13 0.00 -0.03 0.00 0.00 56.01 57.28 1ujs n LEU 35 Cb 1.12 -1.12 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1ujs n LEU 35 CO 0.33 -1.17 0.26 -0.81 -1.33 0.00 0.00 177.39 174.67 1ujs n PRO 36 N 2.62 -1.95 -0.40 3.23 -0.04 -1.26 -4.96 135.00 132.24 1ujs n PRO 36 Ca 0.20 -0.76 0.11 0.00 -0.04 0.00 0.00 63.50 63.01 1ujs n PRO 36 Cb 0.15 -0.71 0.32 0.00 -0.04 0.00 0.00 33.50 33.23 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 -2.96 2.87 -0.11 0.54 2.85 -1.26 -4.12 118.16 115.97 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 -1.60 0.09 0.00 -0.65 0.00 0.00 35.03 33.13 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 1.55 1.92 -4.86 -5.58 2.03 -1.26 -5.05 116.55 105.31 1ujs n ASP 38 Ca 0.24 -2.70 -0.23 0.00 0.52 0.00 0.00 54.79 52.63 1ujs n ASP 38 Cb 0.65 -0.31 -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 -2.10 4.69 -0.35 5.18 -7.23 -1.26 -4.49 120.40 114.83 1ujs s VAL 39 Ca 0.21 -1.19 -0.07 0.00 -1.81 0.00 0.00 61.98 59.12 1ujs s VAL 39 Cb 0.19 -3.49 0.05 0.00 0.56 0.00 0.00 36.38 33.68 1ujs s VAL 39 CO 0.02 -0.27 0.13 -1.81 -0.31 0.00 0.00 175.10 172.86 1ujs s ASP 40 N -3.65 5.37 0.37 4.85 1.11 -1.26 -4.94 116.67 118.52 1ujs s ASP 40 Ca 0.33 -1.23 0.16 0.00 0.18 0.00 0.00 52.55 51.99 1ujs s ASP 40 Cb -0.09 -1.89 0.87 0.00 1.07 0.00 0.00 42.92 42.88 1ujs s ASP 40 CO 0.26 -0.37 1.41 0.03 1.18 0.00 0.00 175.17 177.68 1ujs h ARG 41 N 8.24 0.00 0.00 8.23 -0.00 -1.98 1.67 114.38 130.54 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 0.63 0.00 -1.73 0.25 0.00 0.00 0.00 179.97 179.12 1ujs n THR 42 N -2.18 0.00 -1.53 2.04 -2.24 -1.26 -3.27 114.28 105.84 1ujs n THR 42 Ca -0.01 -0.38 0.07 0.00 -2.27 0.00 0.00 64.05 61.46 1ujs n THR 42 Cb 0.31 0.16 0.13 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.06 1.07 -0.32 -0.78 5.12 0.22 -4.81 116.66 115.10 1ujs n ARG 43 Ca -0.03 -2.55 0.11 0.00 -1.93 0.00 0.00 57.85 53.46 1ujs n ARG 43 Cb 0.43 -1.24 0.29 0.00 -1.16 0.00 0.00 32.46 30.78 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 0.45 0.60 -1.57 0.55 3.38 0.19 0.27 115.31 119.18 1ujs h LEU 44 Ca -0.03 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ujs h LEU 44 Cb 1.15 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1ujs h LEU 44 CO 0.01 0.19 0.15 1.05 0.09 0.00 0.00 178.44 179.94 1ujs h GLU 45 N 0.63 0.44 0.00 1.13 9.09 -1.84 -0.53 114.58 123.50 1ujs h GLU 45 Ca 0.54 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.90 1ujs h GLU 45 Cb 0.86 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1ujs h GLU 45 CO -0.41 0.35 0.00 0.00 0.05 0.00 0.00 179.01 179.00 1ujs h ARG 46 N 0.45 0.00 -0.00 1.06 3.08 -0.83 -1.36 114.38 116.78 1ujs h ARG 46 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ujs h ARG 46 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ujs h ARG 46 CO -0.02 0.00 -0.03 0.72 -1.07 0.00 0.00 179.97 179.57 1ujs n HIS 47 N -2.73 0.00 -3.45 3.04 8.25 -0.21 -4.78 115.22 115.35 1ujs n HIS 47 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1ujs n HIS 47 Cb 0.20 -0.18 -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 -2.39 4.25 0.63 2.41 1.43 -0.51 0.34 118.68 124.84 1ujs s LEU 48 Ca 0.34 0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 53.87 1ujs s LEU 48 Cb 0.21 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 1ujs s LEU 48 CO 0.44 0.05 1.25 -0.55 0.23 0.00 0.00 176.35 177.77 1ujs s SER 49 N 0.56 4.83 0.47 2.29 0.15 -1.26 -4.30 113.70 116.43 1ujs s SER 49 Ca 0.20 2.49 0.19 0.00 0.70 0.00 0.00 55.95 59.53 1ujs s SER 49 Cb -0.14 -2.61 1.03 0.00 -1.71 0.00 0.00 66.02 62.60 1ujs s SER 49 CO 0.06 -1.84 1.52 1.56 1.20 0.00 0.00 173.24 175.74 1ujs h GLN 50 N 0.61 0.00 0.22 5.44 4.20 -1.96 0.68 115.11 124.30 1ujs h GLN 50 Ca -0.50 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 57.90 1ujs h GLN 50 Cb 1.31 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.12 1ujs h GLN 50 CO 0.54 0.00 -1.36 0.93 -0.67 0.00 0.00 178.83 178.27 1ujs h GLU 51 N 0.00 0.46 0.00 1.46 5.08 -1.98 -3.34 114.58 116.26 1ujs h GLU 51 Ca 0.00 -0.78 -0.20 0.00 -1.00 0.00 0.00 59.36 57.38 1ujs h GLU 51 Cb 0.70 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1ujs h GLU 51 CO 0.00 1.37 -1.23 0.39 -1.00 0.00 0.00 179.01 178.54 1ujs n GLU 52 N -3.81 0.54 -0.61 2.33 -0.58 0.84 -3.61 120.64 115.73 1ujs n GLU 52 Ca -0.18 0.51 0.47 0.00 -0.42 0.00 0.00 57.16 57.54 1ujs n GLU 52 Cb 1.03 -1.69 0.72 0.00 -0.57 0.00 0.00 31.44 30.93 1ujs n GLU 52 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ujs n PHE 53 N -4.45 0.10 0.08 -0.32 -0.00 0.20 0.23 117.46 113.29 1ujs n PHE 53 Ca -0.28 0.10 -0.23 0.00 -0.00 0.00 0.00 57.45 57.03 1ujs n PHE 53 Cb 0.60 -0.54 -0.15 0.00 -0.00 0.00 0.00 39.48 39.39 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 0.75 0.00 -5.13 5.03 -1.67 -2.51 116.97 113.44 1ujs h TYR 54 Ca 0.84 -0.55 0.00 0.00 2.58 0.00 0.00 58.73 61.61 1ujs h TYR 54 Cb 3.29 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.54 1ujs h TYR 54 CO -0.00 1.66 0.00 1.96 -1.32 0.00 0.00 178.16 180.46 1ujs h GLN 55 N 0.09 0.00 0.00 1.82 4.20 0.27 1.87 115.11 123.36 1ujs h GLN 55 Ca -0.33 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.26 1ujs h GLN 55 Cb 2.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.86 1ujs h GLN 55 CO 0.19 0.00 -1.27 0.28 -0.67 0.00 0.00 178.83 177.36 1ujs n VAL 56 N -2.48 1.49 0.07 -0.54 0.31 -0.21 -4.64 118.33 112.34 1ujs n VAL 56 Ca -0.00 0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.22 1ujs n VAL 56 Cb 0.15 -2.23 -0.14 0.00 -0.91 0.00 0.00 33.84 30.71 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 0.34 0.00 3.52 -1.00 -1.44 -3.49 116.94 113.87 1ujs h PHE 57 Ca -0.18 -0.25 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1ujs h PHE 57 Cb 1.07 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.61 1ujs h PHE 57 CO -0.28 1.23 0.00 0.41 -1.61 0.00 0.00 178.31 178.06 1ujs n GLY 58 N 1.54 1.32 3.83 -1.45 0.00 0.63 -5.04 105.19 106.03 1ujs n GLY 58 Ca -0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.75 1.59 -0.04 1.61 0.23 -1.19 -4.99 119.30 115.77 1ujs s MET 59 Ca 0.00 -0.99 -0.10 0.00 -1.03 0.00 0.00 55.69 53.57 1ujs s MET 59 Cb 0.00 0.47 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 1ujs s MET 59 CO 0.00 -0.74 0.28 0.95 -2.03 0.00 0.00 175.02 173.48 1ujs s THR 60 N -2.59 5.26 0.36 3.16 -4.23 -1.26 -3.31 115.64 113.02 1ujs s THR 60 Ca 0.17 0.46 0.21 0.00 -1.18 0.00 0.00 61.69 61.35 1ujs s THR 60 Cb -0.03 -3.57 0.35 0.00 1.34 0.00 0.00 72.50 70.58 1ujs s THR 60 CO 0.07 0.54 1.48 0.00 -0.54 0.00 0.00 174.62 176.16 1ujs n ILE 61 N 1.69 -0.38 -0.27 2.99 0.13 -1.26 0.17 119.36 122.43 1ujs n ILE 61 Ca -0.15 1.88 0.00 0.00 -1.10 0.00 0.00 62.75 63.38 1ujs n ILE 61 Cb 0.53 -3.06 0.13 0.00 -0.84 0.00 0.00 39.64 36.40 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 0.57 9.51 0.87 -2.00 -0.21 113.55 122.97 1ujs h SER 62 Ca 0.80 0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 61.13 1ujs h SER 62 Cb 2.18 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 1ujs h SER 62 CO -0.69 0.43 -1.17 -0.33 -0.53 0.00 0.00 176.83 174.54 1ujs h GLU 63 N 0.81 0.30 0.14 2.24 4.39 0.14 -3.27 114.58 119.32 1ujs h GLU 63 Ca 0.35 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1ujs h GLU 63 Cb 0.22 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1ujs h GLU 63 CO -0.19 1.19 -0.08 0.35 -1.16 0.00 0.00 179.01 179.12 1ujs h PHE 64 N 0.11 -0.21 0.00 4.33 3.57 -0.43 -1.40 116.94 122.91 1ujs h PHE 64 Ca -0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1ujs h PHE 64 Cb 1.87 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.69 1ujs h PHE 64 CO 0.06 -0.13 0.04 0.22 -2.23 0.00 0.00 178.31 176.27 1ujs h ASP 65 N -0.21 0.00 -0.14 0.41 1.82 -1.17 0.31 116.42 117.44 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 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1ujs h ASP 65 CO 0.02 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.19 1ujs n ARG 66 N -2.84 1.68 -2.26 0.28 1.74 -0.54 -4.90 116.66 109.82 1ujs n ARG 66 Ca -0.02 -1.01 -0.27 0.00 -0.77 0.00 0.00 57.85 55.78 1ujs n ARG 66 Cb 0.10 -1.40 0.14 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.63 2.84 0.17 0.55 1.43 0.11 -5.05 118.68 117.09 1ujs s LEU 67 Ca 0.33 -0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.13 1ujs s LEU 67 Cb 0.18 -2.17 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 1ujs s LEU 67 CO 0.27 -2.28 0.84 0.00 0.23 0.00 0.00 176.35 175.41 1ujs s ALA 68 N -3.51 3.39 0.25 4.21 0.00 -1.26 -4.82 121.76 120.02 1ujs s ALA 68 Ca 0.70 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 1ujs s ALA 68 Cb -0.05 -3.06 0.42 0.00 0.00 0.00 0.00 23.12 20.43 1ujs s ALA 68 CO 0.49 0.22 1.38 -0.11 0.00 0.00 0.00 175.76 177.73 1ujs n LEU 69 N 1.79 -0.31 -0.37 0.00 -0.00 -1.26 0.20 117.00 117.05 1ujs n LEU 69 Ca -0.04 1.52 -0.02 0.00 -0.00 0.00 0.00 56.01 57.47 1ujs n LEU 69 Cb 0.48 -0.46 0.11 0.00 -0.00 0.00 0.00 43.42 43.55 1ujs n LEU 69 CO 0.48 -1.46 1.29 4.11 -0.00 0.00 0.00 177.39 181.81 1ujs h TRP 70 N 0.00 1.24 -0.22 1.96 5.08 -1.97 -0.40 115.95 121.64 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 -0.01 0.00 -3.00 0.00 0.00 29.16 26.40 1ujs h TRP 70 CO -0.67 0.77 -0.12 -0.22 -1.28 0.00 0.00 178.44 176.92 1ujs h LYS 71 N 1.33 0.47 0.00 0.12 1.63 0.18 0.75 116.57 121.05 1ujs h LYS 71 Ca 0.37 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 1ujs h LYS 71 Cb -0.13 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1ujs h LYS 71 CO -0.09 0.76 -0.15 0.00 -3.45 0.00 0.00 179.45 176.52 1ujs h ARG 72 N 0.17 0.00 0.00 1.90 3.08 -0.13 0.12 114.38 119.52 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 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1ujs h ARG 72 CO 0.04 0.15 -1.47 0.09 -1.07 0.00 0.00 179.97 177.70 1ujs n ASN 73 N -4.15 0.43 0.05 7.04 3.02 -0.19 -3.87 115.26 117.59 1ujs n ASN 73 Ca -0.02 0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.42 1ujs n ASN 73 Cb 0.22 1.21 -0.15 0.00 -0.61 0.00 0.00 39.78 40.46 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 0.33 0.13 3.52 4.81 0.12 -3.24 114.58 120.25 1ujs h GLU 74 Ca 0.00 -0.57 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 1ujs h GLU 74 Cb 0.97 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ujs h GLU 74 CO 0.00 1.27 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.42 1ujs h LEU 75 N -0.20 -0.14 -0.92 1.64 3.38 -0.97 -2.64 115.31 115.45 1ujs h LEU 75 Ca -0.25 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 57.83 1ujs h LEU 75 Cb 1.83 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.52 1ujs h LEU 75 CO 0.14 -0.05 0.52 0.11 0.09 0.00 0.00 178.44 179.25 1ujs h LYS 76 N -0.22 0.73 -0.38 1.13 1.57 -1.72 0.17 116.57 117.84 1ujs h LYS 76 Ca -0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ujs h LYS 76 Cb 0.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1ujs h LYS 76 CO 0.03 0.48 0.22 0.87 -0.57 0.00 0.00 179.45 180.48 1ujs h LYS 77 N 0.75 0.52 0.00 3.15 1.57 -1.51 0.28 116.57 121.34 1ujs h LYS 77 Ca 0.50 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1ujs h LYS 77 Cb 0.66 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1ujs h LYS 77 CO -0.34 0.38 -0.31 1.96 -0.57 0.00 0.00 179.45 180.57 1ujs h GLN 78 N 0.53 0.00 -0.62 3.15 4.20 -0.42 -3.21 115.11 118.74 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 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 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 -2.04 2.36 -2.60 3.87 0.00 -0.01 -4.94 120.51 117.15 1ujs n ALA 79 Ca 0.03 -1.22 -0.20 0.00 0.00 0.00 0.00 53.44 52.05 1ujs n ALA 79 Cb 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.49 -2.63 -0.10 0.00 1.74 -0.02 -4.75 116.66 112.38 1ujs n ARG 80 Ca 0.22 0.89 0.05 0.00 -0.77 0.00 0.00 57.85 58.24 1ujs n ARG 80 Cb 0.59 -5.60 0.10 0.00 -1.02 0.00 0.00 32.46 26.53 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 -3.26 2.47 -4.59 0.55 4.77 0.79 0.25 117.00 117.97 1ujs n LEU 81 Ca -0.19 -2.44 -0.32 0.00 -0.03 0.00 0.00 56.01 53.03 1ujs n LEU 81 Cb 0.65 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1ujs n LEU 81 CO 0.32 0.62 -0.39 0.12 -1.33 0.00 0.00 177.39 176.74 1ujs s PHE 82 N -1.77 2.89 -0.10 -1.77 2.19 -1.11 -4.45 117.98 113.86 1ujs s PHE 82 Ca 0.18 -0.04 -0.02 0.00 0.33 0.00 0.00 56.93 57.38 1ujs s PHE 82 Cb 0.14 -1.61 -0.05 0.00 -1.31 0.00 0.00 43.02 40.19 1ujs s PHE 82 CO 0.04 0.37 -0.11 -1.13 1.83 0.00 0.00 175.22 176.23 1ujs n SER 83 N 1.57 1.89 -1.90 6.13 3.41 -1.20 -4.88 113.62 118.64 1ujs n SER 83 Ca -0.15 0.04 -0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1ujs n SER 83 Cb 0.53 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1ujs n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujs n GLY 84 N 2.68 -3.43 3.73 5.00 0.00 -1.26 -5.03 105.19 106.89 1ujs n GLY 84 Ca -0.19 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.62 1.57 -0.37 1.61 0.04 -1.26 -4.99 135.00 130.97 1ujs s PRO 85 Ca -0.02 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 61.72 1ujs s PRO 85 Cb 0.00 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1ujs s PRO 85 CO 0.27 -2.06 0.71 -1.54 0.04 0.00 0.00 177.00 174.42 1ujs s SER 86 N -3.42 6.47 0.65 6.66 1.04 -1.26 -5.04 113.70 118.80 1ujs s SER 86 Ca 0.63 0.19 -0.17 0.00 0.48 0.00 0.00 55.95 57.07 1ujs s SER 86 Cb -0.18 -2.36 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1ujs s SER 86 CO 0.57 -0.68 1.19 -0.55 0.98 0.00 0.00 173.24 174.75 1ujs s SER 87 N 1.85 4.85 0.00 7.02 0.15 -1.26 -5.36 113.70 120.95 1ujs s SER 87 Ca 0.27 2.31 0.00 0.00 0.70 0.00 0.00 55.95 59.24 1ujs s SER 87 Cb -0.14 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1ujs s SER 87 CO 0.16 -1.82 0.00 0.61 1.20 0.00 0.00 173.24 173.39