#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 7.05 0.86 1.61 1.04 -1.26 -5.02 113.70 117.98 1ujs s SER 2 Ca 0.00 1.87 -0.12 0.00 0.48 0.00 0.00 55.95 58.19 1ujs s SER 2 Cb 0.00 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.67 1ujs s SER 2 CO 0.00 -0.57 1.10 -0.94 0.98 0.00 0.00 173.24 173.81 1ujs s SER 3 N 1.42 3.84 0.00 7.02 1.04 -1.26 -5.07 113.70 120.69 1ujs s SER 3 Ca 0.57 1.38 0.00 0.00 0.48 0.00 0.00 55.95 58.38 1ujs s SER 3 Cb -0.26 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1ujs s SER 3 CO 0.24 -2.39 0.00 0.61 0.98 0.00 0.00 173.24 172.67 1ujs n GLY 4 N -1.56 1.75 3.87 7.32 0.00 -1.26 -5.16 105.19 110.16 1ujs n GLY 4 Ca 0.07 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1ujs n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujs s SER 5 N 0.00 6.61 -0.03 1.61 0.15 -1.26 -5.10 113.70 115.68 1ujs s SER 5 Ca 0.00 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.63 1ujs s SER 5 Cb 0.00 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1ujs s SER 5 CO 0.00 -0.24 0.21 -0.55 1.20 0.00 0.00 173.24 173.86 1ujs s SER 6 N -2.71 -0.12 0.00 5.45 0.15 -1.26 -4.99 113.70 110.22 1ujs s SER 6 Ca 0.50 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1ujs s SER 6 Cb -0.11 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1ujs s SER 6 CO 0.25 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1ujs n GLY 7 N 1.99 1.62 0.30 9.45 0.00 -1.26 -5.02 105.19 112.26 1ujs n GLY 7 Ca -0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.70 -2.63 1.61 3.02 -1.26 -4.82 115.26 110.49 1ujs n ASN 8 Ca 0.00 1.28 -0.01 0.00 -0.03 0.00 0.00 54.58 55.83 1ujs n ASN 8 Cb 0.00 -0.20 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 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 -3.50 -1.96 0.31 5.41 0.00 -1.26 -4.84 120.51 114.67 1ujs n ALA 9 Ca 0.03 -0.64 0.16 0.00 0.00 0.00 0.00 53.44 52.99 1ujs n ALA 9 Cb 0.21 0.30 0.72 0.00 0.00 0.00 0.00 19.45 20.68 1ujs n ALA 9 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1ujs h VAL 10 N 1.65 0.00 -3.91 0.00 -1.51 -1.88 -3.45 116.25 107.15 1ujs h VAL 10 Ca -0.17 -0.28 -0.03 0.00 -1.23 0.00 0.00 66.70 65.00 1ujs h VAL 10 Cb 0.79 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1ujs h VAL 10 CO 0.23 0.00 -0.03 0.59 -1.23 0.00 0.00 177.57 177.13 1ujs n ASN 11 N -2.75 -1.01 -3.58 4.19 3.02 -1.26 -4.84 115.26 109.02 1ujs n ASN 11 Ca 0.00 0.33 -0.16 0.00 -0.03 0.00 0.00 54.58 54.71 1ujs n ASN 11 Cb 0.21 -1.11 0.14 0.00 -0.61 0.00 0.00 39.78 38.41 1ujs n ASN 11 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ujs n TRP 12 N -2.11 -2.33 -0.07 3.10 7.02 -1.26 -4.99 117.44 116.81 1ujs n TRP 12 Ca -0.02 0.02 -0.10 0.00 -1.02 0.00 0.00 57.50 56.39 1ujs n TRP 12 Cb 0.36 -1.38 -0.06 0.00 -2.42 0.00 0.00 31.31 27.81 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 2.49 -0.19 0.26 6.99 0.00 -1.26 -4.66 105.19 108.82 1ujs n GLY 13 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.06 0.90 -3.25 1.61 -0.00 -2.01 -3.47 114.93 108.64 1ujs h MET 14 Ca -0.30 -0.31 -0.06 0.00 -0.00 0.00 0.00 59.70 59.02 1ujs h MET 14 Cb 1.44 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.95 1ujs h MET 14 CO -0.07 0.96 0.16 1.03 -0.00 0.00 0.00 176.91 178.99 1ujs s ARG 15 N -4.91 2.08 -0.46 -0.10 0.52 -1.26 -5.13 118.95 109.70 1ujs s ARG 15 Ca -0.12 -1.43 -0.07 0.00 -0.52 0.00 0.00 55.73 53.59 1ujs s ARG 15 Cb 0.12 0.58 0.12 0.00 0.52 0.00 0.00 34.95 36.29 1ujs s ARG 15 CO 0.83 -0.95 0.30 -2.00 0.02 0.00 0.00 175.30 173.51 1ujs s GLU 16 N -2.75 2.32 -0.49 3.54 2.56 -1.26 -4.04 118.70 118.57 1ujs s GLU 16 Ca 0.18 -1.81 -0.15 0.00 0.00 0.00 0.00 54.97 53.18 1ujs s GLU 16 Cb -0.04 -3.81 0.09 0.00 2.00 0.00 0.00 34.13 32.38 1ujs s GLU 16 CO 0.12 -1.15 0.43 0.71 -0.56 0.00 0.00 175.26 174.81 1ujs s TYR 17 N 1.24 3.25 0.65 5.30 2.02 -1.26 -4.99 117.35 123.56 1ujs s TYR 17 Ca 0.07 -1.08 -0.18 0.00 -0.37 0.00 0.00 57.07 55.51 1ujs s TYR 17 Cb -0.25 -3.39 -0.02 0.00 -0.40 0.00 0.00 41.96 37.91 1ujs s TYR 17 CO -0.02 -0.88 1.14 1.17 -1.57 0.00 0.00 175.55 175.39 1ujs n LYS 18 N 5.21 0.93 -2.40 -0.62 4.81 -1.26 -4.08 118.16 120.74 1ujs n LYS 18 Ca -0.13 0.37 -0.43 0.00 -0.87 0.00 0.00 58.31 57.26 1ujs n LYS 18 Cb 0.42 -2.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.08 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 -1.50 3.91 0.09 3.15 -1.09 -1.26 -4.57 121.20 119.93 1ujs s ILE 19 Ca 0.79 0.89 0.10 0.00 -2.23 0.00 0.00 60.65 60.20 1ujs s ILE 19 Cb -0.38 -4.34 -0.03 0.00 -1.58 0.00 0.00 42.46 36.12 1ujs s ILE 19 CO 0.44 -0.93 -0.26 -0.31 -1.23 0.00 0.00 174.94 172.65 1ujs s TYR 20 N 5.48 2.27 0.33 3.97 2.02 0.13 -5.01 117.35 126.54 1ujs s TYR 20 Ca 0.56 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.59 1ujs s TYR 20 Cb -0.12 -1.29 -0.10 0.00 -0.40 0.00 0.00 41.96 40.06 1ujs s TYR 20 CO 0.30 0.23 1.22 -1.25 -1.57 0.00 0.00 175.55 174.49 1ujs s PRO 21 N -1.67 4.40 0.23 -1.71 0.04 -1.26 -4.15 135.00 130.88 1ujs s PRO 21 Ca 0.12 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 1ujs s PRO 21 Cb -0.10 -3.05 0.37 0.00 0.04 0.00 0.00 34.50 31.77 1ujs s PRO 21 CO 0.04 -0.08 1.63 -0.92 0.04 0.00 0.00 177.00 177.71 1ujs h TYR 22 N 3.40 -0.13 -0.08 0.56 3.20 -1.93 0.24 116.97 122.23 1ujs h TYR 22 Ca -0.48 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.45 1ujs h TYR 22 Cb 1.22 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 1ujs h TYR 22 CO 0.57 -0.24 -0.05 1.05 -1.64 0.00 0.00 178.16 177.84 1ujs h GLU 23 N 0.08 -0.01 0.00 1.82 4.11 -1.99 0.38 114.58 118.97 1ujs h GLU 23 Ca 0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.79 1ujs h GLU 23 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ujs h GLU 23 CO -0.65 -0.00 -0.07 1.37 0.07 0.00 0.00 179.01 179.72 1ujs h LEU 24 N -0.01 0.00 -0.33 3.06 8.10 -1.77 -1.75 115.31 122.62 1ujs h LEU 24 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1ujs h LEU 24 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1ujs h LEU 24 CO -0.08 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.50 1ujs n LEU 25 N -3.30 0.47 -4.74 0.17 4.77 0.11 -2.57 117.00 111.91 1ujs n LEU 25 Ca -0.01 -0.23 -0.29 0.00 -0.03 0.00 0.00 56.01 55.45 1ujs n LEU 25 Cb 0.26 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.43 1ujs n LEU 25 CO 0.28 0.11 0.68 -0.76 -1.33 0.00 0.00 177.39 176.37 1ujs s LEU 26 N -0.98 1.86 -0.26 2.23 1.43 0.22 -4.59 118.68 118.60 1ujs s LEU 26 Ca 0.05 1.08 0.17 0.00 -1.03 0.00 0.00 54.13 54.40 1ujs s LEU 26 Cb 0.03 -3.36 0.49 0.00 0.03 0.00 0.00 46.19 43.37 1ujs s LEU 26 CO 0.04 -2.78 1.14 0.55 0.23 0.00 0.00 176.35 175.53 1ujs n VAL 27 N -3.93 1.70 -1.63 -1.59 3.14 0.69 -4.71 118.33 112.01 1ujs n VAL 27 Ca 0.06 -3.33 -0.43 0.00 -2.96 0.00 0.00 64.34 57.69 1ujs n VAL 27 Cb 0.58 0.36 -0.03 0.00 -1.06 0.00 0.00 33.84 33.70 1ujs n VAL 27 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1ujs s THR 28 N -3.93 3.01 0.12 1.55 -4.23 -1.26 -4.87 115.64 106.03 1ujs s THR 28 Ca 0.36 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.65 1ujs s THR 28 Cb 0.36 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1ujs s THR 28 CO -0.02 -0.01 1.38 0.41 -0.54 0.00 0.00 174.62 175.85 1ujs n THR 29 N 7.08 -0.52 -1.79 3.99 -1.04 -1.26 -2.48 114.28 118.25 1ujs n THR 29 Ca 0.27 2.16 0.04 0.00 -2.04 0.00 0.00 64.05 64.47 1ujs n THR 29 Cb 0.44 -2.69 0.17 0.00 -1.82 0.00 0.00 70.33 66.42 1ujs n THR 29 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1ujs n ARG 30 N -4.75 1.40 -0.42 -2.82 0.00 -1.26 -4.73 116.66 104.07 1ujs n ARG 30 Ca 0.02 -3.12 0.06 0.00 -0.00 0.00 0.00 57.85 54.81 1ujs n ARG 30 Cb 0.20 -1.36 0.24 0.00 -0.00 0.00 0.00 32.46 31.54 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 -0.80 1.88 3.37 2.89 0.00 -1.04 -4.92 105.19 106.57 1ujs n GLY 31 Ca 0.18 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 0.65 -4.88 -1.31 1.61 5.12 -1.26 -4.93 116.66 111.65 1ujs n ARG 32 Ca 0.17 0.85 -0.35 0.00 -1.93 0.00 0.00 57.85 56.59 1ujs n ARG 32 Cb 0.64 -5.83 0.09 0.00 -1.16 0.00 0.00 32.46 26.20 1ujs n ARG 32 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ujs n ASN 33 N -3.16 0.29 -1.34 0.55 0.23 -1.26 -4.94 115.26 105.62 1ujs n ASN 33 Ca -0.20 0.65 -0.10 0.00 -0.53 0.00 0.00 54.58 54.39 1ujs n ASN 33 Cb 0.65 -1.39 0.13 0.00 -2.08 0.00 0.00 39.78 37.09 1ujs n ASN 33 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1ujs n ARG 34 N -1.85 2.45 -1.84 -3.83 0.00 -1.25 -5.05 116.66 105.29 1ujs n ARG 34 Ca 0.13 -3.60 -0.42 0.00 -0.00 0.00 0.00 57.85 53.95 1ujs n ARG 34 Cb 0.50 -1.94 -0.03 0.00 0.00 0.00 0.00 32.46 30.98 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 -3.41 4.37 0.00 6.15 1.43 -1.06 -4.80 118.68 121.36 1ujs s LEU 35 Ca 0.46 2.73 -0.08 0.00 -1.03 0.00 0.00 54.13 56.21 1ujs s LEU 35 Cb 0.40 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 43.15 1ujs s LEU 35 CO -0.01 -0.89 0.44 -0.81 0.23 0.00 0.00 176.35 175.30 1ujs n PRO 36 N 3.97 -1.88 -0.46 1.29 -0.04 -1.26 -4.96 135.00 131.66 1ujs n PRO 36 Ca 0.15 -0.70 0.10 0.00 -0.04 0.00 0.00 63.50 63.01 1ujs n PRO 36 Cb 0.37 -0.66 0.33 0.00 -0.04 0.00 0.00 33.50 33.50 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 -2.85 3.16 -0.10 0.54 2.85 -1.26 -4.13 118.16 116.37 1ujs n LYS 37 Ca 0.06 -2.72 0.05 0.00 -1.05 0.00 0.00 58.31 54.65 1ujs n LYS 37 Cb 0.24 -1.69 0.07 0.00 -0.65 0.00 0.00 35.03 33.00 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 1.32 1.77 -4.83 -5.58 2.03 -1.26 -5.05 116.55 104.94 1ujs n ASP 38 Ca 0.24 -2.49 -0.28 0.00 0.52 0.00 0.00 54.79 52.78 1ujs n ASP 38 Cb 0.72 -0.25 -0.05 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 -1.77 4.74 -0.36 5.18 -7.23 -1.26 -4.40 120.40 115.30 1ujs s VAL 39 Ca 0.17 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.38 1ujs s VAL 39 Cb 0.15 -3.38 0.03 0.00 0.56 0.00 0.00 36.38 33.73 1ujs s VAL 39 CO 0.02 -0.03 0.17 -0.62 -0.31 0.00 0.00 175.10 174.33 1ujs s ASP 40 N -2.90 5.60 0.33 4.85 -1.08 -1.26 -4.94 116.67 117.27 1ujs s ASP 40 Ca 0.32 -1.06 0.15 0.00 -0.52 0.00 0.00 52.55 51.43 1ujs s ASP 40 Cb -0.11 -1.97 0.79 0.00 -1.46 0.00 0.00 42.92 40.17 1ujs s ASP 40 CO 0.24 -0.37 1.36 0.54 0.52 0.00 0.00 175.17 177.46 1ujs n ARG 41 N 4.93 0.10 -0.04 4.34 5.12 -1.26 0.16 116.66 130.02 1ujs n ARG 41 Ca -0.12 0.58 0.04 0.00 -1.93 0.00 0.00 57.85 56.42 1ujs n ARG 41 Cb 0.45 -2.08 -0.15 0.00 -1.16 0.00 0.00 32.46 29.52 1ujs n ARG 41 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1ujs n THR 42 N -2.10 0.42 -1.89 0.55 -2.24 -1.26 -3.01 114.28 104.75 1ujs n THR 42 Ca -0.01 -0.56 0.04 0.00 -2.27 0.00 0.00 64.05 61.25 1ujs n THR 42 Cb 0.28 -0.14 0.15 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.35 1.26 -0.33 -0.78 5.12 0.19 -4.82 116.66 114.96 1ujs n ARG 43 Ca -0.12 -3.00 0.09 0.00 -1.93 0.00 0.00 57.85 52.88 1ujs n ARG 43 Cb 0.71 -1.21 0.28 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 1.09 0.85 -1.38 0.55 3.38 0.13 0.17 115.31 120.11 1ujs h LEU 44 Ca -0.05 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ujs h LEU 44 Cb 1.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1ujs h LEU 44 CO 0.07 0.44 0.23 1.05 0.09 0.00 0.00 178.44 180.32 1ujs h GLU 45 N 0.91 0.65 0.00 1.13 9.09 -1.85 -0.90 114.58 123.61 1ujs h GLU 45 Ca 0.48 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.82 1ujs h GLU 45 Cb 0.55 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1ujs h GLU 45 CO -0.25 0.50 0.00 0.00 0.05 0.00 0.00 179.01 179.32 1ujs h ARG 46 N 0.65 0.00 -0.00 1.06 3.08 -1.33 -0.15 114.38 117.69 1ujs h ARG 46 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ujs h ARG 46 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ujs h ARG 46 CO -0.02 0.00 -0.05 0.72 -1.07 0.00 0.00 179.97 179.55 1ujs n HIS 47 N -2.76 0.00 -3.31 3.04 8.25 -0.34 -4.79 115.22 115.30 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 0.13 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.37 4.29 0.35 2.41 1.43 -0.07 0.22 118.68 124.94 1ujs s LEU 48 Ca 0.33 0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 54.00 1ujs s LEU 48 Cb 0.21 -2.72 -0.11 0.00 0.03 0.00 0.00 46.19 43.60 1ujs s LEU 48 CO 0.44 0.01 1.43 -0.94 0.23 0.00 0.00 176.35 177.52 1ujs s SER 49 N 0.52 6.51 0.60 2.29 1.04 -1.26 -4.28 113.70 119.12 1ujs s SER 49 Ca 0.27 2.90 0.29 0.00 0.48 0.00 0.00 55.95 59.89 1ujs s SER 49 Cb -0.15 -2.66 1.01 0.00 0.10 0.00 0.00 66.02 64.31 1ujs s SER 49 CO 0.11 -0.75 1.34 1.56 0.98 0.00 0.00 173.24 176.48 1ujs h GLN 50 N 3.34 0.00 -0.01 4.02 4.20 -1.96 1.22 115.11 125.91 1ujs h GLN 50 Ca -0.50 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.16 1ujs h GLN 50 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1ujs h GLN 50 CO 0.66 0.00 -0.21 0.93 -0.67 0.00 0.00 178.83 179.54 1ujs h GLU 51 N 0.00 0.17 0.00 1.46 4.39 -1.97 -3.29 114.58 115.33 1ujs h GLU 51 Ca 0.53 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 60.04 1ujs h GLU 51 Cb 2.99 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 31.68 1ujs h GLU 51 CO -0.01 0.87 -0.22 0.93 -1.16 0.00 0.00 179.01 179.42 1ujs h GLU 52 N -0.48 0.00 -1.72 2.33 4.39 0.89 -3.16 114.58 116.83 1ujs h GLU 52 Ca -0.02 0.00 0.50 0.00 0.34 0.00 0.00 59.36 60.18 1ujs h GLU 52 Cb 0.93 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.51 1ujs h GLU 52 CO 0.04 0.67 1.26 0.34 -1.16 0.00 0.00 179.01 180.16 1ujs n PHE 53 N -4.63 0.00 0.06 4.33 -0.00 0.15 0.23 117.46 117.60 1ujs n PHE 53 Ca -0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.12 1ujs n PHE 53 Cb 0.37 -0.43 -0.15 0.00 -0.00 0.00 0.00 39.48 39.27 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 0.68 0.00 -5.13 5.03 -1.62 -2.64 116.97 113.29 1ujs h TYR 54 Ca 0.82 -0.49 0.00 0.00 2.58 0.00 0.00 58.73 61.63 1ujs h TYR 54 Cb 3.34 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.59 1ujs h TYR 54 CO 0.00 1.70 0.00 1.96 -1.32 0.00 0.00 178.16 180.50 1ujs h GLN 55 N 0.08 0.00 0.00 1.82 4.20 0.30 1.79 115.11 123.31 1ujs h GLN 55 Ca -0.36 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.26 1ujs h GLN 55 Cb 2.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.84 1ujs h GLN 55 CO 0.16 0.00 -1.18 0.28 -0.67 0.00 0.00 178.83 177.42 1ujs n VAL 56 N -2.50 1.49 0.09 -0.54 0.31 -0.27 -4.64 118.33 112.26 1ujs n VAL 56 Ca -0.00 0.06 -0.14 0.00 -0.01 0.00 0.00 64.34 64.25 1ujs n VAL 56 Cb 0.14 -2.27 -0.14 0.00 -0.91 0.00 0.00 33.84 30.66 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 0.37 0.00 3.52 -1.00 -1.46 -3.48 116.94 113.88 1ujs h PHE 57 Ca -0.13 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.37 1ujs h PHE 57 Cb 1.03 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.57 1ujs h PHE 57 CO -0.31 1.23 0.00 0.41 -1.61 0.00 0.00 178.31 178.03 1ujs n GLY 58 N 1.51 1.33 3.83 -1.45 0.00 0.61 -5.04 105.19 105.98 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 -0.76 1.57 -0.03 1.61 0.23 -1.18 -4.99 119.30 115.74 1ujs s MET 59 Ca 0.00 -0.97 -0.12 0.00 -1.03 0.00 0.00 55.69 53.58 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 -0.73 0.32 0.95 -2.03 0.00 0.00 175.02 173.53 1ujs s THR 60 N -2.66 5.19 0.36 3.16 -4.23 -1.26 -3.31 115.64 112.88 1ujs s THR 60 Ca 0.17 0.59 0.21 0.00 -1.18 0.00 0.00 61.69 61.48 1ujs s THR 60 Cb -0.03 -3.61 0.34 0.00 1.34 0.00 0.00 72.50 70.54 1ujs s THR 60 CO 0.06 0.56 1.49 0.00 -0.54 0.00 0.00 174.62 176.19 1ujs n ILE 61 N 1.75 -0.38 -0.28 2.99 0.13 -1.26 0.18 119.36 122.48 1ujs n ILE 61 Ca -0.15 1.90 0.00 0.00 -1.10 0.00 0.00 62.75 63.40 1ujs n ILE 61 Cb 0.53 -3.08 0.13 0.00 -0.84 0.00 0.00 39.64 36.38 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 0.74 0.53 9.51 0.87 -2.00 -0.35 113.55 122.85 1ujs h SER 62 Ca 0.80 0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 61.13 1ujs h SER 62 Cb 2.17 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 64.01 1ujs h SER 62 CO -0.70 0.47 -1.16 -0.33 -0.53 0.00 0.00 176.83 174.57 1ujs h GLU 63 N 0.87 0.32 -0.47 2.24 4.39 0.15 -3.26 114.58 118.81 1ujs h GLU 63 Ca 0.36 -0.48 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1ujs h GLU 63 Cb 0.20 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1ujs h GLU 63 CO -0.18 1.20 0.30 0.35 -1.16 0.00 0.00 179.01 179.52 1ujs h PHE 64 N 0.12 0.58 0.00 4.33 3.57 -0.44 -0.87 116.94 124.23 1ujs h PHE 64 Ca -0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1ujs h PHE 64 Cb 1.86 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.41 1ujs h PHE 64 CO 0.07 0.36 0.00 0.22 -2.23 0.00 0.00 178.31 176.72 1ujs h ASP 65 N 0.62 0.00 -0.07 0.41 3.58 -1.17 -0.50 116.42 119.30 1ujs h ASP 65 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 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 -0.05 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.85 1ujs n ARG 66 N -2.59 1.73 -2.19 0.28 1.74 -0.34 -4.91 116.66 110.37 1ujs n ARG 66 Ca -0.00 -1.07 -0.27 0.00 -0.77 0.00 0.00 57.85 55.74 1ujs n ARG 66 Cb 0.15 -1.45 0.13 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.86 2.81 0.22 0.55 1.43 -0.20 -5.06 118.68 116.58 1ujs s LEU 67 Ca 0.36 0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.33 1ujs s LEU 67 Cb 0.20 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.92 1ujs s LEU 67 CO 0.31 -2.19 0.83 0.00 0.23 0.00 0.00 176.35 175.53 1ujs s ALA 68 N -3.51 3.38 0.21 4.21 0.00 -1.26 -4.81 121.76 119.98 1ujs s ALA 68 Ca 0.68 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 1ujs s ALA 68 Cb -0.06 -3.03 0.25 0.00 0.00 0.00 0.00 23.12 20.28 1ujs s ALA 68 CO 0.48 0.26 1.39 -0.11 0.00 0.00 0.00 175.76 177.79 1ujs n LEU 69 N 1.25 -0.54 -0.34 0.00 7.94 -1.26 0.17 117.00 124.21 1ujs n LEU 69 Ca -0.03 1.56 0.05 0.00 -1.11 0.00 0.00 56.01 56.48 1ujs n LEU 69 Cb 0.49 -0.38 0.21 0.00 0.53 0.00 0.00 43.42 44.27 1ujs n LEU 69 CO 0.46 -1.42 1.21 4.11 -1.11 0.00 0.00 177.39 180.65 1ujs h TRP 70 N 0.00 1.07 -0.10 1.96 5.08 -1.96 0.29 115.95 122.29 1ujs h TRP 70 Ca 0.33 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.30 1ujs h TRP 70 Cb 0.55 -0.34 -0.00 0.00 -3.00 0.00 0.00 29.16 26.37 1ujs h TRP 70 CO -0.77 0.45 -0.06 -0.22 -1.28 0.00 0.00 178.44 176.57 1ujs h LYS 71 N 0.97 0.22 0.00 0.12 1.63 0.13 1.02 116.57 120.67 1ujs h LYS 71 Ca 0.46 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 60.12 1ujs h LYS 71 Cb 0.39 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1ujs h LYS 71 CO -0.24 0.58 -0.19 0.00 -3.45 0.00 0.00 179.45 176.15 1ujs h ARG 72 N -0.14 0.00 0.00 1.90 3.08 0.11 0.11 114.38 119.44 1ujs h ARG 72 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ujs h ARG 72 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1ujs h ARG 72 CO 0.02 0.19 -1.21 0.09 -1.07 0.00 0.00 179.97 177.98 1ujs n ASN 73 N -4.18 0.55 -0.00 7.04 3.02 0.98 -3.89 115.26 118.77 1ujs n ASN 73 Ca -0.02 -0.18 -0.21 0.00 -0.03 0.00 0.00 54.58 54.14 1ujs n ASN 73 Cb 0.26 1.01 -0.14 0.00 -0.61 0.00 0.00 39.78 40.30 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 0.23 0.46 3.52 4.81 0.18 -3.30 114.58 120.48 1ujs h GLU 74 Ca 0.00 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 1ujs h GLU 74 Cb 0.79 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1ujs h GLU 74 CO 0.00 1.18 -0.22 -0.07 -0.73 0.00 0.00 179.01 179.17 1ujs h LEU 75 N -0.34 -0.53 -0.92 1.64 3.38 -0.99 -2.67 115.31 114.88 1ujs h LEU 75 Ca -0.31 0.01 0.21 0.00 0.09 0.00 0.00 57.88 57.89 1ujs h LEU 75 Cb 1.74 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 42.50 1ujs h LEU 75 CO 0.04 -0.37 0.47 0.11 0.09 0.00 0.00 178.44 178.78 1ujs h LYS 76 N -0.63 0.50 -0.36 1.13 1.57 -1.75 0.51 116.57 117.53 1ujs h LYS 76 Ca -0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1ujs h LYS 76 Cb 0.48 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1ujs h LYS 76 CO 0.10 0.33 0.21 0.87 -0.57 0.00 0.00 179.45 180.40 1ujs h LYS 77 N 0.51 0.48 0.00 3.15 1.57 -1.56 0.29 116.57 121.02 1ujs h LYS 77 Ca 0.57 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.26 1ujs h LYS 77 Cb 1.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1ujs h LYS 77 CO -0.48 0.34 -0.59 1.96 -0.57 0.00 0.00 179.45 180.12 1ujs h GLN 78 N 0.49 0.00 -0.44 3.15 4.20 0.18 -3.24 115.11 119.46 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 -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1ujs h GLN 78 CO -0.02 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.32 1ujs n ALA 79 N -2.20 2.43 -2.67 3.87 0.00 0.32 -4.93 120.51 117.33 1ujs n ALA 79 Ca 0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 53.44 52.28 1ujs n ALA 79 Cb 0.64 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 1.23 -3.04 -0.11 0.00 1.74 0.07 -4.75 116.66 111.80 1ujs n ARG 80 Ca 0.19 0.96 0.05 0.00 -0.77 0.00 0.00 57.85 58.29 1ujs n ARG 80 Cb 0.53 -5.71 0.10 0.00 -1.02 0.00 0.00 32.46 26.36 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 -3.44 2.50 -4.41 0.55 4.77 0.80 0.25 117.00 118.03 1ujs n LEU 81 Ca -0.19 -2.48 -0.31 0.00 -0.03 0.00 0.00 56.01 53.00 1ujs n LEU 81 Cb 0.66 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.37 1ujs n LEU 81 CO 0.37 0.63 -0.52 0.12 -1.33 0.00 0.00 177.39 176.65 1ujs s PHE 82 N -1.84 2.46 -0.00 -1.77 2.19 -1.13 -4.37 117.98 113.53 1ujs s PHE 82 Ca 0.19 -0.32 -0.00 0.00 0.33 0.00 0.00 56.93 57.13 1ujs s PHE 82 Cb 0.15 -1.45 -0.00 0.00 -1.31 0.00 0.00 43.02 40.41 1ujs s PHE 82 CO 0.05 0.18 -0.01 0.45 1.83 0.00 0.00 175.22 177.72 1ujs n SER 83 N 1.73 0.98 0.00 6.13 2.88 -1.16 -4.85 113.62 119.32 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 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 3.09 -1.96 3.77 0.46 0.00 -1.26 -4.97 105.19 104.32 1ujs n GLY 84 Ca -0.01 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 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 -5.01 3.89 -0.50 1.61 0.04 -1.26 -4.86 135.00 128.91 1ujs s PRO 85 Ca 0.00 1.83 -0.46 0.00 0.04 0.00 0.00 61.00 62.41 1ujs s PRO 85 Cb 0.00 -2.54 -0.20 0.00 0.04 0.00 0.00 34.50 31.80 1ujs s PRO 85 CO 0.00 -0.45 1.74 0.45 0.04 0.00 0.00 177.00 178.78 1ujs n SER 86 N -0.21 1.06 -0.05 6.66 2.88 -1.26 -4.84 113.62 117.87 1ujs n SER 86 Ca 0.06 1.03 -0.15 0.00 -1.33 0.00 0.00 58.87 58.48 1ujs n SER 86 Cb 0.47 -0.88 -0.13 0.00 -0.75 0.00 0.00 64.21 62.92 1ujs n SER 86 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ujs h SER 87 N 6.13 0.09 -0.01 -3.46 0.87 -1.98 -3.57 113.55 111.61 1ujs h SER 87 Ca -0.34 -0.96 0.00 0.00 -1.23 0.00 0.00 61.79 59.26 1ujs h SER 87 Cb 1.37 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1ujs h SER 87 CO 1.00 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 178.96