#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 -0.40 -0.34 1.61 1.04 -1.26 -5.13 113.70 109.21 1ujs s SER 2 Ca 0.00 0.91 -0.06 0.00 0.48 0.00 0.00 55.95 57.28 1ujs s SER 2 Cb 0.00 1.54 0.04 0.00 0.10 0.00 0.00 66.02 67.70 1ujs s SER 2 CO 0.00 -0.25 0.11 -0.55 0.98 0.00 0.00 173.24 173.53 1ujs s SER 3 N 2.67 5.31 0.00 7.02 0.15 -1.26 -4.91 113.70 122.68 1ujs s SER 3 Ca 0.03 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1ujs s SER 3 Cb -0.13 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1ujs s SER 3 CO -0.15 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1ujs n GLY 4 N 4.80 6.42 3.80 9.45 0.00 -1.26 -5.13 105.19 123.27 1ujs n GLY 4 Ca -0.12 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 1ujs n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujs s SER 5 N 0.22 6.21 0.12 1.61 0.01 -1.26 -4.98 113.70 115.63 1ujs s SER 5 Ca 0.00 1.92 -0.24 0.00 1.31 0.00 0.00 55.95 58.94 1ujs s SER 5 Cb 0.00 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1ujs s SER 5 CO 0.00 -0.87 0.73 -0.55 0.41 0.00 0.00 173.24 172.96 1ujs s SER 6 N -2.12 7.29 0.00 2.44 0.15 -1.26 -4.76 113.70 115.43 1ujs s SER 6 Ca 0.67 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1ujs s SER 6 Cb -0.17 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1ujs s SER 6 CO 0.23 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1ujs n GLY 7 N 1.79 -1.34 0.27 9.45 0.00 -1.26 -4.97 105.19 109.13 1ujs n GLY 7 Ca -0.06 0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.48 1ujs n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujs n ASN 8 N 0.00 -0.29 -3.61 1.61 3.02 -1.26 -4.64 115.26 110.09 1ujs n ASN 8 Ca 0.00 1.31 -0.08 0.00 -0.03 0.00 0.00 54.58 55.78 1ujs n ASN 8 Cb 0.00 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.73 1ujs n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujs s ALA 9 N -5.94 -2.01 0.08 5.41 0.00 -1.26 -4.73 121.76 113.32 1ujs s ALA 9 Ca -0.11 1.71 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 1ujs s ALA 9 Cb 0.20 -1.10 -0.15 0.00 0.00 0.00 0.00 23.12 22.07 1ujs s ALA 9 CO 0.59 -0.26 0.64 1.33 0.00 0.00 0.00 175.76 178.06 1ujs n VAL 10 N 0.99 0.81 0.19 0.00 0.24 -1.26 -4.78 118.33 114.53 1ujs n VAL 10 Ca -0.08 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.34 61.94 1ujs n VAL 10 Cb 0.58 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 33.02 1ujs n VAL 10 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ujs n ASN 11 N 1.42 3.22 -4.67 -1.34 6.94 -1.26 -4.76 115.26 114.82 1ujs n ASN 11 Ca 0.15 -2.57 -0.42 0.00 -0.02 0.00 0.00 54.58 51.72 1ujs n ASN 11 Cb 0.13 -0.62 -0.03 0.00 -2.36 0.00 0.00 39.78 36.91 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1ujs s TRP 12 N -1.26 2.42 0.11 -2.53 0.23 -1.26 -4.90 118.94 111.75 1ujs s TRP 12 Ca 0.21 0.55 -0.06 0.00 -2.03 0.00 0.00 56.10 54.77 1ujs s TRP 12 Cb 0.17 -3.75 -0.14 0.00 0.03 0.00 0.00 33.47 29.78 1ujs s TRP 12 CO 0.04 -2.97 1.27 0.78 0.96 0.00 0.00 176.95 177.03 1ujs h GLY 13 N 9.62 0.50 0.76 0.98 0.00 -1.90 -3.29 103.07 109.75 1ujs h GLY 13 Ca -0.36 -0.91 0.04 0.00 0.00 0.00 0.00 47.33 46.10 1ujs h GLY 13 CO 0.95 0.81 0.31 -0.33 0.00 0.00 0.00 176.54 178.27 1ujs h MET 14 N 0.24 0.59 -3.81 4.80 2.86 -2.01 -3.46 114.93 114.14 1ujs h MET 14 Ca -0.10 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.32 1ujs h MET 14 Cb 1.64 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 33.10 1ujs h MET 14 CO 0.18 0.39 -0.08 1.03 1.06 0.00 0.00 176.91 179.48 1ujs s ARG 15 N -6.12 1.93 -0.32 1.72 0.52 -1.24 -5.14 118.95 110.30 1ujs s ARG 15 Ca -0.13 -1.61 0.03 0.00 -0.52 0.00 0.00 55.73 53.50 1ujs s ARG 15 Cb 0.14 0.49 0.09 0.00 0.52 0.00 0.00 34.95 36.19 1ujs s ARG 15 CO 0.74 -0.82 0.02 -2.00 0.02 0.00 0.00 175.30 173.26 1ujs s GLU 16 N -3.04 1.57 -0.53 3.54 -6.30 -1.26 -4.27 118.70 108.41 1ujs s GLU 16 Ca 0.26 -1.67 -0.17 0.00 -2.50 0.00 0.00 54.97 50.89 1ujs s GLU 16 Cb -0.01 -3.02 0.10 0.00 0.00 0.00 0.00 34.13 31.19 1ujs s GLU 16 CO 0.17 -0.85 0.53 0.71 0.02 0.00 0.00 175.26 175.83 1ujs s TYR 17 N 1.02 3.17 0.23 5.30 2.02 -1.26 -5.01 117.35 122.81 1ujs s TYR 17 Ca 0.06 -1.00 -0.32 0.00 -0.37 0.00 0.00 57.07 55.44 1ujs s TYR 17 Cb -0.19 -3.62 -0.13 0.00 -0.40 0.00 0.00 41.96 37.62 1ujs s TYR 17 CO -0.09 -1.01 1.48 1.17 -1.57 0.00 0.00 175.55 175.53 1ujs n LYS 18 N 5.59 2.17 -1.70 -0.62 4.81 -1.26 -4.14 118.16 123.02 1ujs n LYS 18 Ca -0.12 0.78 -0.43 0.00 -0.87 0.00 0.00 58.31 57.67 1ujs n LYS 18 Cb 0.42 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 32.96 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 0.22 3.12 0.09 3.15 -1.09 -1.26 -4.73 121.20 120.69 1ujs s ILE 19 Ca 0.70 0.12 0.09 0.00 -2.23 0.00 0.00 60.65 59.34 1ujs s ILE 19 Cb -0.63 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1ujs s ILE 19 CO 0.46 -0.10 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.52 1ujs s TYR 20 N 7.97 2.15 0.37 3.97 2.02 0.12 -5.02 117.35 128.92 1ujs s TYR 20 Ca 0.96 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 57.00 1ujs s TYR 20 Cb -0.31 -1.22 -0.09 0.00 -0.40 0.00 0.00 41.96 39.94 1ujs s TYR 20 CO 0.35 0.21 1.20 -1.25 -1.57 0.00 0.00 175.55 174.49 1ujs s PRO 21 N -1.64 4.19 0.24 -1.71 0.04 -1.26 -4.17 135.00 130.68 1ujs s PRO 21 Ca 0.11 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 1ujs s PRO 21 Cb -0.10 -2.84 0.44 0.00 0.04 0.00 0.00 34.50 32.05 1ujs s PRO 21 CO 0.04 -0.23 1.70 -0.92 0.04 0.00 0.00 177.00 177.63 1ujs h TYR 22 N 2.97 0.34 -0.26 0.56 5.03 -1.92 0.21 116.97 123.89 1ujs h TYR 22 Ca -0.49 0.04 0.03 0.00 2.58 0.00 0.00 58.73 60.89 1ujs h TYR 22 Cb 1.23 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.43 1ujs h TYR 22 CO 0.56 -0.04 -0.23 1.05 -1.32 0.00 0.00 178.16 178.18 1ujs h GLU 23 N 0.32 -0.09 0.00 1.82 4.11 -1.99 0.22 114.58 118.96 1ujs h GLU 23 Ca 0.40 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.83 1ujs h GLU 23 Cb 0.66 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1ujs h GLU 23 CO -0.47 -0.06 -0.07 1.37 0.07 0.00 0.00 179.01 179.85 1ujs h LEU 24 N -0.10 0.00 -0.37 3.06 8.10 -1.76 -2.22 115.31 122.02 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 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.43 1ujs h LEU 24 CO -0.30 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.28 1ujs n LEU 25 N -3.23 0.53 -4.74 0.17 4.77 0.71 -2.43 117.00 112.79 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 0.31 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.47 1ujs n LEU 25 CO 0.29 0.13 0.68 -0.76 -1.33 0.00 0.00 177.39 176.39 1ujs s LEU 26 N -0.98 2.07 -0.22 2.23 1.43 0.01 -4.60 118.68 118.62 1ujs s LEU 26 Ca 0.06 1.25 0.18 0.00 -1.03 0.00 0.00 54.13 54.58 1ujs s LEU 26 Cb 0.03 -3.61 0.47 0.00 0.03 0.00 0.00 46.19 43.11 1ujs s LEU 26 CO 0.04 -2.65 1.16 0.55 0.23 0.00 0.00 176.35 175.68 1ujs n VAL 27 N -3.86 1.52 -1.68 -1.59 3.14 0.72 -4.69 118.33 111.87 1ujs n VAL 27 Ca 0.06 -2.99 -0.49 0.00 -2.96 0.00 0.00 64.34 57.96 1ujs n VAL 27 Cb 0.57 0.37 -0.05 0.00 -1.06 0.00 0.00 33.84 33.67 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 -0.50 0.53 0.31 1.55 -2.24 -1.26 -4.89 114.28 107.78 1ujs n THR 28 Ca 0.19 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1ujs n THR 28 Cb 0.90 -1.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 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 5.34 0.20 0.06 4.28 2.02 -1.98 -3.31 112.91 119.51 1ujs h THR 29 Ca -0.48 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.36 1ujs h THR 29 Cb 1.28 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1ujs h THR 29 CO 0.95 0.00 -1.95 -2.11 0.37 0.00 0.00 175.52 172.77 1ujs n ARG 30 N -5.52 0.70 -0.84 6.66 1.85 -1.26 -4.96 116.66 113.29 1ujs n ARG 30 Ca -0.12 0.25 -0.33 0.00 -1.00 0.00 0.00 57.85 56.65 1ujs n ARG 30 Cb 0.41 -1.71 0.12 0.00 -1.05 0.00 0.00 32.46 30.22 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 1.83 -1.73 3.53 2.89 0.00 -1.25 -4.85 105.19 105.62 1ujs n GLY 31 Ca -0.27 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.66 4.02 0.59 1.61 1.81 -1.26 -4.75 118.95 117.31 1ujs s ARG 32 Ca 0.59 -2.23 -0.19 0.00 -1.72 0.00 0.00 55.73 52.17 1ujs s ARG 32 Cb -0.23 -5.33 -0.03 0.00 -0.45 0.00 0.00 34.95 28.91 1ujs s ARG 32 CO 0.65 -2.04 1.26 0.54 -0.68 0.00 0.00 175.30 175.03 1ujs s ASN 33 N 3.64 5.08 -0.32 0.23 2.20 -1.26 -4.95 114.94 119.55 1ujs s ASN 33 Ca 0.49 2.54 0.06 0.00 -0.94 0.00 0.00 52.86 55.01 1ujs s ASN 33 Cb 0.01 -2.61 0.46 0.00 -2.00 0.00 0.00 41.25 37.10 1ujs s ASN 33 CO 0.04 -1.68 1.28 -1.14 -2.94 0.00 0.00 177.10 172.66 1ujs n ARG 34 N -1.50 3.41 -2.11 3.55 3.00 -1.24 -5.05 116.66 116.72 1ujs n ARG 34 Ca 0.13 -4.03 -0.42 0.00 -0.00 0.00 0.00 57.85 53.53 1ujs n ARG 34 Cb 0.48 -2.24 -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 -3.60 4.35 0.00 6.15 1.43 -1.02 -4.71 118.68 121.29 1ujs s LEU 35 Ca 0.52 2.33 -0.07 0.00 -1.03 0.00 0.00 54.13 55.88 1ujs s LEU 35 Cb 0.42 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 43.17 1ujs s LEU 35 CO 0.03 -0.74 0.37 -0.81 0.23 0.00 0.00 176.35 175.43 1ujs n PRO 36 N 4.71 -1.75 -0.42 1.29 -0.04 -1.26 -4.96 135.00 132.57 1ujs n PRO 36 Ca 0.13 -0.60 0.10 0.00 -0.04 0.00 0.00 63.50 63.09 1ujs n PRO 36 Cb 0.42 -0.56 0.31 0.00 -0.04 0.00 0.00 33.50 33.63 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 -2.65 3.04 -0.12 0.54 2.85 -1.26 -4.16 118.16 116.40 1ujs n LYS 37 Ca 0.05 -2.66 0.06 0.00 -1.05 0.00 0.00 58.31 54.72 1ujs n LYS 37 Cb 0.20 -1.63 0.08 0.00 -0.65 0.00 0.00 35.03 33.04 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 1.31 1.80 -4.85 -5.58 2.03 -1.26 -5.05 116.55 104.95 1ujs n ASP 38 Ca 0.23 -2.60 -0.27 0.00 0.52 0.00 0.00 54.79 52.68 1ujs n ASP 38 Cb 0.68 -0.29 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 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 -1.92 4.83 -0.38 5.18 -7.23 -1.26 -4.41 120.40 115.21 1ujs s VAL 39 Ca 0.19 -0.88 -0.08 0.00 -1.81 0.00 0.00 61.98 59.40 1ujs s VAL 39 Cb 0.17 -3.45 0.05 0.00 0.56 0.00 0.00 36.38 33.71 1ujs s VAL 39 CO 0.02 -0.07 0.19 -1.81 -0.31 0.00 0.00 175.10 173.12 1ujs s ASP 40 N -3.05 5.53 0.50 4.85 1.11 -1.26 -4.94 116.67 119.41 1ujs s ASP 40 Ca 0.32 -1.27 0.17 0.00 0.18 0.00 0.00 52.55 51.95 1ujs s ASP 40 Cb -0.11 -1.95 0.92 0.00 1.07 0.00 0.00 42.92 42.86 1ujs s ASP 40 CO 0.25 -0.43 1.46 0.03 1.18 0.00 0.00 175.17 177.67 1ujs h ARG 41 N 8.33 0.00 0.00 8.23 -0.00 -1.97 1.72 114.38 130.69 1ujs h ARG 41 Ca -0.23 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.19 1ujs h ARG 41 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.04 1ujs h ARG 41 CO 0.68 0.00 -1.97 0.25 0.00 0.00 0.00 179.97 178.93 1ujs n THR 42 N -2.40 0.23 -1.52 2.04 -2.24 -1.26 -3.55 114.28 105.58 1ujs n THR 42 Ca -0.01 -0.51 0.07 0.00 -2.27 0.00 0.00 64.05 61.32 1ujs n THR 42 Cb 0.46 -0.05 0.16 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.28 1.25 -0.28 -0.78 5.12 0.32 -4.80 116.66 115.21 1ujs n ARG 43 Ca -0.08 -2.80 0.07 0.00 -1.93 0.00 0.00 57.85 53.10 1ujs n ARG 43 Cb 0.62 -1.37 0.21 0.00 -1.16 0.00 0.00 32.46 30.77 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 0.59 0.46 -1.62 0.55 3.38 0.19 0.14 115.31 119.00 1ujs h LEU 44 Ca -0.02 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1ujs h LEU 44 Cb 1.10 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1ujs h LEU 44 CO 0.01 0.19 0.29 1.05 0.09 0.00 0.00 178.44 180.07 1ujs h GLU 45 N 0.58 0.49 0.00 1.13 4.11 -1.84 0.02 114.58 119.06 1ujs h GLU 45 Ca 0.45 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.85 1ujs h GLU 45 Cb 0.65 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ujs h GLU 45 CO -0.37 0.32 -0.02 0.00 0.07 0.00 0.00 179.01 179.01 1ujs h ARG 46 N 0.50 0.00 0.00 1.06 3.08 -1.08 -1.07 114.38 116.87 1ujs h ARG 46 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ujs h ARG 46 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ujs h ARG 46 CO -0.04 0.02 0.00 0.72 -1.07 0.00 0.00 179.97 179.60 1ujs n HIS 47 N -3.16 0.00 -3.39 3.04 8.25 -0.01 -4.76 115.22 115.20 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 0.21 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.25 4.24 0.34 2.41 1.43 -0.41 0.10 118.68 124.54 1ujs s LEU 48 Ca 0.39 0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 53.86 1ujs s LEU 48 Cb 0.21 -2.57 -0.11 0.00 0.03 0.00 0.00 46.19 43.75 1ujs s LEU 48 CO 0.40 0.00 1.46 -0.94 0.23 0.00 0.00 176.35 177.50 1ujs s SER 49 N 0.69 6.46 0.60 2.29 1.04 -1.26 -4.26 113.70 119.26 1ujs s SER 49 Ca 0.22 2.93 0.27 0.00 0.48 0.00 0.00 55.95 59.85 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 0.08 -0.80 1.30 0.00 0.98 0.00 0.00 173.24 174.80 1ujs n GLN 50 N 0.96 0.01 -0.02 4.02 6.02 -1.26 0.17 117.38 127.28 1ujs n GLN 50 Ca 0.02 1.02 -0.16 0.00 -0.01 0.00 0.00 57.00 57.87 1ujs n GLN 50 Cb 0.40 -2.52 -0.11 0.00 1.02 0.00 0.00 30.24 29.02 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 0.28 0.00 -1.09 5.08 -1.98 -3.28 114.58 113.59 1ujs h GLU 51 Ca 0.51 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1ujs h GLU 51 Cb 2.95 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 32.27 1ujs h GLU 51 CO -0.01 0.96 -0.35 0.93 -1.00 0.00 0.00 179.01 179.55 1ujs h GLU 52 N -0.30 0.00 -1.61 2.33 4.39 0.13 -3.17 114.58 116.36 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 1.08 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.64 1ujs h GLU 52 CO 0.07 0.62 1.13 0.34 -1.16 0.00 0.00 179.01 180.01 1ujs n PHE 53 N -4.61 0.17 0.08 4.33 -0.00 0.12 0.23 117.46 117.79 1ujs n PHE 53 Ca -0.12 0.17 -0.23 0.00 -0.00 0.00 0.00 57.45 57.27 1ujs n PHE 53 Cb 0.38 -0.60 -0.15 0.00 -0.00 0.00 0.00 39.48 39.10 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 -2.47 116.97 113.56 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 3.12 -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 0.30 1.86 115.11 123.40 1ujs h GLN 55 Ca -0.33 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 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 0.19 0.00 -1.26 0.28 -0.67 0.00 0.00 178.83 177.37 1ujs n VAL 56 N -2.51 1.49 0.08 -0.54 0.31 -0.19 -4.65 118.33 112.33 1ujs n VAL 56 Ca -0.00 0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 1ujs n VAL 56 Cb 0.14 -2.24 -0.14 0.00 -0.91 0.00 0.00 33.84 30.69 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 0.33 0.00 3.52 -1.00 -1.43 -3.48 116.94 113.87 1ujs h PHE 57 Ca -0.17 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.37 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 -0.30 1.22 0.00 0.41 -1.61 0.00 0.00 178.31 178.03 1ujs n GLY 58 N 1.52 1.22 3.82 -1.45 0.00 0.63 -5.04 105.19 105.89 1ujs n GLY 58 Ca -0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.58 1.58 0.00 1.61 0.23 -1.19 -4.99 119.30 115.96 1ujs s MET 59 Ca 0.00 -0.96 -0.11 0.00 -1.03 0.00 0.00 55.69 53.58 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 -0.74 0.35 0.95 -2.03 0.00 0.00 175.02 173.56 1ujs s THR 60 N -2.77 5.14 0.37 3.16 -4.23 -1.26 -3.29 115.64 112.77 1ujs s THR 60 Ca 0.16 0.58 0.23 0.00 -1.18 0.00 0.00 61.69 61.47 1ujs s THR 60 Cb -0.03 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.54 1ujs s THR 60 CO 0.06 0.49 1.51 0.00 -0.54 0.00 0.00 174.62 176.15 1ujs n ILE 61 N 1.53 -0.37 -0.29 2.99 0.13 -1.26 0.17 119.36 122.27 1ujs n ILE 61 Ca -0.13 1.90 -0.00 0.00 -1.10 0.00 0.00 62.75 63.42 1ujs n ILE 61 Cb 0.53 -3.10 0.12 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 0.56 9.51 0.87 -2.00 -0.19 113.55 123.07 1ujs h SER 62 Ca 0.82 0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 61.14 1ujs h SER 62 Cb 2.28 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.11 1ujs h SER 62 CO -0.68 0.49 -1.14 -0.33 -0.53 0.00 0.00 176.83 174.64 1ujs h GLU 63 N 0.89 0.30 -0.15 2.24 5.08 0.14 -3.27 114.58 119.81 1ujs h GLU 63 Ca 0.35 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ujs h GLU 63 Cb 0.16 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ujs h GLU 63 CO -0.17 1.17 0.09 0.35 -1.00 0.00 0.00 179.01 179.46 1ujs h PHE 64 N 0.11 0.20 0.00 4.33 3.57 -0.47 -1.37 116.94 123.32 1ujs h PHE 64 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1ujs h PHE 64 Cb 1.84 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.52 1ujs h PHE 64 CO 0.06 0.16 0.00 0.22 -2.23 0.00 0.00 178.31 176.52 1ujs h ASP 65 N 0.18 0.00 -0.15 0.41 1.82 -1.15 0.11 116.42 117.65 1ujs h ASP 65 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1ujs h ASP 65 Cb 0.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.02 1ujs h ASP 65 CO -0.01 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.16 1ujs n ARG 66 N -2.57 1.77 -2.27 0.28 1.74 -0.52 -4.91 116.66 110.17 1ujs n ARG 66 Ca -0.01 -1.15 -0.27 0.00 -0.77 0.00 0.00 57.85 55.65 1ujs n ARG 66 Cb 0.08 -1.42 0.15 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.65 2.85 0.15 0.55 1.43 0.39 -5.06 118.68 117.34 1ujs s LEU 67 Ca 0.33 -0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 53.13 1ujs s LEU 67 Cb 0.18 -2.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 1ujs s LEU 67 CO 0.28 -2.30 0.73 0.00 0.23 0.00 0.00 176.35 175.29 1ujs s ALA 68 N -3.51 3.48 0.25 4.21 0.00 -1.26 -4.82 121.76 120.10 1ujs s ALA 68 Ca 0.70 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 1ujs s ALA 68 Cb -0.04 -2.88 0.48 0.00 0.00 0.00 0.00 23.12 20.67 1ujs s ALA 68 CO 0.49 0.32 1.36 -0.11 0.00 0.00 0.00 175.76 177.81 1ujs n LEU 69 N 1.57 -0.25 -0.36 0.00 -0.00 -1.26 0.21 117.00 116.91 1ujs n LEU 69 Ca -0.06 1.49 -0.02 0.00 -0.00 0.00 0.00 56.01 57.41 1ujs n LEU 69 Cb 0.49 -0.48 0.10 0.00 -0.00 0.00 0.00 43.42 43.54 1ujs n LEU 69 CO 0.45 -1.45 1.27 4.11 -0.00 0.00 0.00 177.39 181.77 1ujs h TRP 70 N 0.00 1.23 -0.22 1.96 5.08 -1.97 0.32 115.95 122.36 1ujs h TRP 70 Ca 0.45 0.02 -0.08 0.00 1.08 0.00 0.00 58.89 60.36 1ujs h TRP 70 Cb 0.77 -0.42 -0.00 0.00 -3.00 0.00 0.00 29.16 26.51 1ujs h TRP 70 CO -0.60 0.79 -0.17 -0.22 -1.28 0.00 0.00 178.44 176.95 1ujs h LYS 71 N 1.32 0.50 0.00 0.12 1.63 0.21 0.79 116.57 121.15 1ujs h LYS 71 Ca 0.35 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1ujs h LYS 71 Cb -0.13 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1ujs h LYS 71 CO -0.07 0.82 -0.21 0.00 -3.45 0.00 0.00 179.45 176.53 1ujs h ARG 72 N 0.20 0.00 0.00 1.90 3.08 -0.15 0.86 114.38 120.26 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 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1ujs h ARG 72 CO 0.05 0.21 -1.44 0.09 -1.07 0.00 0.00 179.97 177.80 1ujs n ASN 73 N -4.03 0.44 0.04 7.04 3.02 0.08 -3.84 115.26 118.00 1ujs n ASN 73 Ca -0.02 0.02 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 1ujs n ASN 73 Cb 0.28 1.22 -0.14 0.00 -0.61 0.00 0.00 39.78 40.53 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 0.28 3.52 4.81 0.11 -3.26 114.58 120.35 1ujs h GLU 74 Ca 0.00 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1ujs h GLU 74 Cb 0.92 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1ujs h GLU 74 CO 0.00 1.25 -0.13 -0.07 -0.73 0.00 0.00 179.01 179.32 1ujs h LEU 75 N -0.22 -0.32 -0.97 1.64 3.38 -1.03 -2.73 115.31 115.06 1ujs h LEU 75 Ca -0.27 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 57.82 1ujs h LEU 75 Cb 1.82 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.55 1ujs h LEU 75 CO 0.11 -0.13 0.56 0.11 0.09 0.00 0.00 178.44 179.18 1ujs h LYS 76 N -0.49 0.67 -0.47 1.13 1.57 -1.74 0.29 116.57 117.53 1ujs h LYS 76 Ca -0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ujs h LYS 76 Cb 0.37 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1ujs h LYS 76 CO 0.06 0.44 0.24 0.87 -0.57 0.00 0.00 179.45 180.50 1ujs h LYS 77 N 0.69 0.65 0.00 3.15 1.57 -1.54 0.27 116.57 121.36 1ujs h LYS 77 Ca 0.57 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1ujs h LYS 77 Cb 0.92 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1ujs h LYS 77 CO -0.40 0.50 -0.17 1.96 -0.57 0.00 0.00 179.45 180.76 1ujs h GLN 78 N 0.66 0.00 -0.64 3.15 4.20 -0.22 -3.18 115.11 119.08 1ujs h GLN 78 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1ujs h GLN 78 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1ujs h GLN 78 CO -0.03 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 1ujs n ALA 79 N -2.01 2.54 -2.70 3.87 0.00 -0.08 -4.94 120.51 117.19 1ujs n ALA 79 Ca 0.04 -1.38 -0.18 0.00 0.00 0.00 0.00 53.44 51.91 1ujs n ALA 79 Cb 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.29 -2.84 -0.10 0.00 1.74 -0.29 -4.75 116.66 111.71 1ujs n ARG 80 Ca 0.23 0.75 0.04 0.00 -0.77 0.00 0.00 57.85 58.10 1ujs n ARG 80 Cb 0.67 -5.44 0.09 0.00 -1.02 0.00 0.00 32.46 26.76 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 -3.27 2.48 -4.39 0.55 4.77 0.79 0.26 117.00 118.20 1ujs n LEU 81 Ca -0.14 -2.34 -0.32 0.00 -0.03 0.00 0.00 56.01 53.17 1ujs n LEU 81 Cb 0.62 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 1ujs n LEU 81 CO 0.32 0.61 -0.50 0.12 -1.33 0.00 0.00 177.39 176.61 1ujs s PHE 82 N -1.60 2.57 0.00 -1.77 2.19 -1.10 -4.45 117.98 113.82 1ujs s PHE 82 Ca 0.17 -0.37 0.00 0.00 0.33 0.00 0.00 56.93 57.05 1ujs s PHE 82 Cb 0.12 -1.61 0.00 0.00 -1.31 0.00 0.00 43.02 40.22 1ujs s PHE 82 CO 0.05 0.02 0.00 0.45 1.83 0.00 0.00 175.22 177.57 1ujs n SER 83 N 2.56 2.05 0.00 6.13 2.88 -1.23 -4.84 113.62 121.17 1ujs n SER 83 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 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 2.56 2.60 3.77 0.46 0.00 -1.26 -5.08 105.19 108.23 1ujs n GLY 84 Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 -5.15 2.39 -0.05 1.61 0.04 -1.26 -4.90 135.00 127.69 1ujs s PRO 85 Ca 0.00 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 1ujs s PRO 85 Cb 0.00 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1ujs s PRO 85 CO 0.00 -1.55 0.10 -1.54 0.04 0.00 0.00 177.00 174.05 1ujs s SER 86 N -3.20 -0.04 -0.21 6.66 1.04 -1.26 -5.14 113.70 111.55 1ujs s SER 86 Ca 0.62 0.19 -0.14 0.00 0.48 0.00 0.00 55.95 57.11 1ujs s SER 86 Cb -0.18 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1ujs s SER 86 CO 0.53 -0.13 0.30 -0.94 0.98 0.00 0.00 173.24 173.97 1ujs s SER 87 N 1.03 6.31 0.00 7.02 1.04 -1.26 -5.26 113.70 122.58 1ujs s SER 87 Ca -0.08 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1ujs s SER 87 Cb -0.11 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1ujs s SER 87 CO -0.04 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.78