#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 0.01 -0.07 1.61 1.04 -1.26 -5.06 113.70 109.96 1ujs s SER 2 Ca 0.00 -0.11 -0.24 0.00 0.48 0.00 0.00 55.95 56.08 1ujs s SER 2 Cb 0.00 0.21 -0.29 0.00 0.10 0.00 0.00 66.02 66.04 1ujs s SER 2 CO 0.00 -0.27 0.88 -1.28 0.98 0.00 0.00 173.24 173.55 1ujs h SER 3 N 4.81 0.33 0.00 7.02 0.87 -2.11 -3.49 113.55 120.97 1ujs h SER 3 Ca -0.29 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.32 1ujs h SER 3 Cb 1.20 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1ujs h SER 3 CO 0.41 1.25 0.00 0.61 -0.53 0.00 0.00 176.83 178.57 1ujs n GLY 4 N 1.58 -1.92 3.82 5.77 0.00 -1.26 -5.14 105.19 108.04 1ujs n GLY 4 Ca -0.12 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.03 5.73 -0.07 1.61 0.15 -1.26 -5.04 113.70 111.79 1ujs s SER 5 Ca 0.00 0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.60 1ujs s SER 5 Cb 0.00 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1ujs s SER 5 CO 0.00 0.13 -0.14 -0.24 1.20 0.00 0.00 173.24 174.19 1ujs n SER 6 N 0.09 1.01 0.00 5.45 2.88 -1.26 -5.15 113.62 116.63 1ujs n SER 6 Ca -0.08 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1ujs n SER 6 Cb 0.53 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 2.46 2.10 3.56 0.46 0.00 -1.26 -4.88 105.19 107.63 1ujs n GLY 7 Ca -0.16 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 1ujs n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujs s ASN 8 N 0.00 5.94 -0.18 1.61 2.20 -1.26 -4.88 114.94 118.37 1ujs s ASN 8 Ca 0.00 -0.86 -0.30 0.00 -0.94 0.00 0.00 52.86 50.75 1ujs s ASN 8 Cb 0.00 -2.56 0.14 0.00 -2.00 0.00 0.00 41.25 36.83 1ujs s ASN 8 CO 0.00 -1.99 1.10 0.00 -2.94 0.00 0.00 177.10 173.27 1ujs s ALA 9 N 6.92 -1.98 0.02 3.54 0.00 -1.26 -4.71 121.76 124.27 1ujs s ALA 9 Ca 0.53 1.61 -0.30 0.00 0.00 0.00 0.00 51.96 53.80 1ujs s ALA 9 Cb -0.05 -0.74 -0.15 0.00 0.00 0.00 0.00 23.12 22.18 1ujs s ALA 9 CO 0.00 -0.36 0.78 1.33 0.00 0.00 0.00 175.76 177.52 1ujs n VAL 10 N 0.50 0.16 -0.68 0.00 0.24 -1.26 -4.77 118.33 112.52 1ujs n VAL 10 Ca -0.06 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 1ujs n VAL 10 Cb 0.58 0.00 0.04 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 1.20 5.80 -3.78 -1.34 4.13 -1.26 -4.74 115.26 115.28 1ujs n ASN 11 Ca 0.15 -2.93 -0.30 0.00 1.68 0.00 0.00 54.58 53.18 1ujs n ASN 11 Cb 0.08 -0.99 0.25 0.00 -1.54 0.00 0.00 39.78 37.57 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1ujs s TRP 12 N -1.56 0.28 0.00 3.10 0.23 -1.26 -5.03 118.94 114.70 1ujs s TRP 12 Ca 0.27 0.56 0.00 0.00 -2.03 0.00 0.00 56.10 54.90 1ujs s TRP 12 Cb 0.21 -3.29 0.00 0.00 0.03 0.00 0.00 33.47 30.43 1ujs s TRP 12 CO 0.00 -4.14 0.00 0.41 0.96 0.00 0.00 176.95 174.18 1ujs n GLY 13 N -0.27 0.00 0.33 0.98 0.00 -1.26 -4.76 105.19 100.21 1ujs n GLY 13 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.66 0.00 1.61 -0.00 -2.02 -3.45 114.93 111.73 1ujs h MET 14 Ca 0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 59.70 59.58 1ujs h MET 14 Cb 0.90 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 32.34 1ujs h MET 14 CO 0.00 0.44 0.12 0.54 -0.00 0.00 0.00 176.91 178.01 1ujs n ARG 15 N -4.83 0.77 -3.84 -0.10 5.12 -1.26 -5.12 116.66 107.40 1ujs n ARG 15 Ca 0.20 -1.83 -0.33 0.00 -1.93 0.00 0.00 57.85 53.96 1ujs n ARG 15 Cb 0.51 2.11 -0.12 0.00 -1.16 0.00 0.00 32.46 33.80 1ujs n ARG 15 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ujs s GLU 16 N -2.22 2.20 -0.61 5.56 2.12 -1.26 -4.51 118.70 119.98 1ujs s GLU 16 Ca 0.15 -2.46 -0.22 0.00 0.36 0.00 0.00 54.97 52.80 1ujs s GLU 16 Cb -0.03 -3.51 0.07 0.00 0.26 0.00 0.00 34.13 30.91 1ujs s GLU 16 CO 0.11 -1.12 0.89 0.71 -0.54 0.00 0.00 175.26 175.31 1ujs s TYR 17 N 0.02 2.78 0.44 5.30 2.02 -1.26 -5.02 117.35 121.63 1ujs s TYR 17 Ca 0.16 -0.48 -0.24 0.00 -0.37 0.00 0.00 57.07 56.14 1ujs s TYR 17 Cb -0.23 -4.12 -0.09 0.00 -0.40 0.00 0.00 41.96 37.12 1ujs s TYR 17 CO -0.03 -1.47 1.20 1.17 -1.57 0.00 0.00 175.55 174.86 1ujs n LYS 18 N 7.31 1.71 -2.08 -0.62 4.81 -1.26 -3.99 118.16 124.05 1ujs n LYS 18 Ca -0.04 0.61 -0.42 0.00 -0.87 0.00 0.00 58.31 57.59 1ujs n LYS 18 Cb 0.45 -2.31 -0.03 0.00 0.02 0.00 0.00 35.03 33.17 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 -1.24 3.55 0.08 3.15 -1.09 -1.26 -4.67 121.20 119.71 1ujs s ILE 19 Ca 0.63 0.53 0.09 0.00 -2.23 0.00 0.00 60.65 59.68 1ujs s ILE 19 Cb -0.50 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1ujs s ILE 19 CO 0.56 -0.55 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.19 1ujs s TYR 20 N 6.87 2.44 0.29 3.97 2.02 0.13 -5.00 117.35 128.07 1ujs s TYR 20 Ca 0.74 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.83 1ujs s TYR 20 Cb -0.19 -1.37 -0.10 0.00 -0.40 0.00 0.00 41.96 39.90 1ujs s TYR 20 CO 0.32 0.28 1.24 -1.25 -1.57 0.00 0.00 175.55 174.57 1ujs s PRO 21 N -1.72 4.45 0.25 -1.71 0.04 -1.26 -4.20 135.00 130.85 1ujs s PRO 21 Ca 0.15 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.17 1ujs s PRO 21 Cb -0.10 -3.13 0.44 0.00 0.04 0.00 0.00 34.50 31.75 1ujs s PRO 21 CO 0.06 -0.08 1.63 -0.92 0.04 0.00 0.00 177.00 177.73 1ujs h TYR 22 N 3.94 -0.06 -0.19 0.56 3.20 -1.93 0.21 116.97 122.70 1ujs h TYR 22 Ca -0.47 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.47 1ujs h TYR 22 Cb 1.22 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 1ujs h TYR 22 CO 0.58 -0.25 -0.13 1.05 -1.64 0.00 0.00 178.16 177.77 1ujs h GLU 23 N 0.10 -0.02 0.00 1.82 4.11 -1.99 0.38 114.58 118.98 1ujs h GLU 23 Ca 0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.84 1ujs h GLU 23 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1ujs h GLU 23 CO -0.68 -0.01 -0.06 1.37 0.07 0.00 0.00 179.01 179.70 1ujs h LEU 24 N -0.02 0.00 -0.41 3.06 8.10 -1.73 -1.97 115.31 122.34 1ujs h LEU 24 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.02 1ujs h LEU 24 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.32 1ujs h LEU 24 CO -0.19 0.06 0.00 0.18 -4.11 0.00 0.00 178.44 174.38 1ujs n LEU 25 N -3.25 0.58 -4.74 0.17 4.77 0.11 -1.86 117.00 112.78 1ujs n LEU 25 Ca -0.01 -0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.40 1ujs n LEU 25 Cb 0.27 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.42 1ujs n LEU 25 CO 0.28 0.14 0.68 -0.76 -1.33 0.00 0.00 177.39 176.40 1ujs s LEU 26 N -0.96 1.91 -0.03 2.23 1.43 0.12 -4.59 118.68 118.79 1ujs s LEU 26 Ca 0.06 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1ujs s LEU 26 Cb 0.03 -3.40 0.06 0.00 0.03 0.00 0.00 46.19 42.91 1ujs s LEU 26 CO 0.04 -2.74 0.95 0.55 0.23 0.00 0.00 176.35 175.38 1ujs n VAL 27 N -3.91 0.43 -1.96 -1.59 3.14 0.71 -4.68 118.33 110.47 1ujs n VAL 27 Ca 0.06 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.53 1ujs n VAL 27 Cb 0.58 0.43 -0.03 0.00 -1.06 0.00 0.00 33.84 33.76 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 -0.62 3.39 0.05 1.55 -1.32 -1.26 -4.90 115.64 112.54 1ujs s THR 28 Ca 0.06 0.35 -0.15 0.00 -1.21 0.00 0.00 61.69 60.74 1ujs s THR 28 Cb 0.06 -3.66 -0.06 0.00 -1.51 0.00 0.00 72.50 67.33 1ujs s THR 28 CO 0.01 -0.50 1.25 0.74 -2.21 0.00 0.00 174.62 173.90 1ujs h THR 29 N 6.91 0.00 -0.06 5.08 2.02 -1.98 -1.52 112.91 123.35 1ujs h THR 29 Ca -0.31 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 1ujs h THR 29 Cb 1.18 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1ujs h THR 29 CO 1.09 0.00 -0.20 -2.11 0.37 0.00 0.00 175.52 174.67 1ujs n ARG 30 N -3.85 1.67 0.00 6.66 1.85 -1.26 -4.79 116.66 116.94 1ujs n ARG 30 Ca -0.03 -0.73 0.00 0.00 -1.00 0.00 0.00 57.85 56.09 1ujs n ARG 30 Cb 0.17 -1.65 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 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 2.02 5.43 2.68 2.89 0.00 -0.57 -5.08 105.19 112.56 1ujs n GLY 31 Ca 0.28 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 3.48 -2.93 1.61 3.00 -1.26 -5.02 116.66 115.54 1ujs n ARG 32 Ca 0.00 -4.65 -0.43 0.00 -0.01 0.00 0.00 57.85 52.76 1ujs n ARG 32 Cb 0.00 -2.36 -0.05 0.00 0.00 0.00 0.00 32.46 30.05 1ujs n ARG 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ujs s ASN 33 N -2.26 6.51 -0.44 0.55 2.20 -1.26 -4.81 114.94 115.42 1ujs s ASN 33 Ca 0.37 0.18 0.04 0.00 -0.94 0.00 0.00 52.86 52.52 1ujs s ASN 33 Cb 0.13 -2.41 0.65 0.00 -2.00 0.00 0.00 41.25 37.61 1ujs s ASN 33 CO 0.02 -0.85 1.88 -1.14 -2.94 0.00 0.00 177.10 174.06 1ujs n ARG 34 N 6.66 2.23 -1.64 3.55 3.00 -1.23 -5.01 116.66 124.23 1ujs n ARG 34 Ca 0.04 -3.04 -0.58 0.00 -0.00 0.00 0.00 57.85 54.27 1ujs n ARG 34 Cb 0.48 -2.15 -0.07 0.00 0.00 0.00 0.00 32.46 30.72 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 -1.14 1.57 0.00 6.15 4.77 -0.78 -4.88 117.00 122.70 1ujs n LEU 35 Ca 0.58 1.12 -0.17 0.00 -0.03 0.00 0.00 56.01 57.50 1ujs n LEU 35 Cb 1.58 -1.08 0.15 0.00 -2.33 0.00 0.00 43.42 41.73 1ujs n LEU 35 CO 0.58 -0.94 0.35 -0.81 -1.33 0.00 0.00 177.39 175.24 1ujs n PRO 36 N 3.58 -2.26 -0.35 3.23 -0.04 -1.26 -4.96 135.00 132.94 1ujs n PRO 36 Ca 0.23 -1.02 0.12 0.00 -0.04 0.00 0.00 63.50 62.80 1ujs n PRO 36 Cb 0.11 -0.95 0.31 0.00 -0.04 0.00 0.00 33.50 32.93 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 -3.45 2.67 -0.09 0.54 0.00 -1.26 -4.08 118.16 112.49 1ujs n LYS 37 Ca 0.09 -2.58 0.08 0.00 -0.00 0.00 0.00 58.31 55.89 1ujs n LYS 37 Cb 0.34 -1.56 0.11 0.00 -0.00 0.00 0.00 35.03 33.92 1ujs n LYS 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ujs n ASP 38 N 1.62 2.11 -4.86 -5.58 2.03 -1.26 -5.04 116.55 105.56 1ujs n ASP 38 Ca 0.24 -2.82 -0.24 0.00 0.52 0.00 0.00 54.79 52.48 1ujs n ASP 38 Cb 0.61 -0.34 -0.04 0.00 -0.72 0.00 0.00 41.12 40.63 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 -2.36 4.76 -0.38 5.18 -7.23 -1.26 -4.52 120.40 114.59 1ujs s VAL 39 Ca 0.25 -1.08 -0.08 0.00 -1.81 0.00 0.00 61.98 59.26 1ujs s VAL 39 Cb 0.21 -3.50 0.06 0.00 0.56 0.00 0.00 36.38 33.72 1ujs s VAL 39 CO 0.02 -0.21 0.19 -1.81 -0.31 0.00 0.00 175.10 172.98 1ujs s ASP 40 N -3.47 5.49 0.45 4.85 1.11 -1.26 -4.94 116.67 118.90 1ujs s ASP 40 Ca 0.33 -1.34 0.17 0.00 0.18 0.00 0.00 52.55 51.89 1ujs s ASP 40 Cb -0.09 -1.93 0.95 0.00 1.07 0.00 0.00 42.92 42.91 1ujs s ASP 40 CO 0.26 -0.44 1.46 0.03 1.18 0.00 0.00 175.17 177.66 1ujs h ARG 41 N 8.31 0.00 0.00 8.23 -0.00 -1.97 1.60 114.38 130.54 1ujs h ARG 41 Ca -0.23 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.18 1ujs h ARG 41 Cb 1.08 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 -2.01 0.25 0.00 0.00 0.00 179.97 178.89 1ujs n THR 42 N -2.34 0.28 -1.76 2.04 -2.24 -1.26 -3.38 114.28 105.62 1ujs n THR 42 Ca -0.01 -0.54 0.06 0.00 -2.27 0.00 0.00 64.05 61.29 1ujs n THR 42 Cb 0.39 -0.08 0.15 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.31 1.16 -0.31 -0.78 5.12 0.27 -4.82 116.66 114.99 1ujs n ARG 43 Ca -0.10 -2.87 0.07 0.00 -1.93 0.00 0.00 57.85 53.02 1ujs n ARG 43 Cb 0.66 -1.21 0.23 0.00 -1.16 0.00 0.00 32.46 30.97 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 0.87 0.63 -1.94 0.55 3.38 0.17 0.18 115.31 119.14 1ujs h LEU 44 Ca -0.05 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ujs h LEU 44 Cb 1.21 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ujs h LEU 44 CO 0.02 0.29 0.00 1.05 0.09 0.00 0.00 178.44 179.89 1ujs h GLU 45 N 0.71 0.04 0.00 1.13 9.09 -1.85 0.24 114.58 123.94 1ujs h GLU 45 Ca 0.47 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 1ujs h GLU 45 Cb 0.61 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 1ujs h GLU 45 CO -0.33 0.04 0.00 0.54 0.05 0.00 0.00 179.01 179.31 1ujs n ARG 46 N -4.51 0.19 0.00 1.06 1.74 0.61 -1.78 116.66 113.96 1ujs n ARG 46 Ca -0.03 0.43 0.14 0.00 -0.77 0.00 0.00 57.85 57.62 1ujs n ARG 46 Cb 0.10 -1.87 0.61 0.00 -1.02 0.00 0.00 32.46 30.28 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 -3.28 -1.55 8.25 0.07 -4.82 115.22 111.65 1ujs n HIS 47 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1ujs n HIS 47 Cb 0.22 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.42 4.35 0.30 2.41 1.43 -0.73 0.18 118.68 124.19 1ujs s LEU 48 Ca 0.30 0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 1ujs s LEU 48 Cb 0.20 -2.78 -0.11 0.00 0.03 0.00 0.00 46.19 43.54 1ujs s LEU 48 CO 0.46 0.06 1.45 -0.44 0.23 0.00 0.00 176.35 178.12 1ujs s SER 49 N 0.17 6.56 0.57 2.29 0.01 -1.26 -4.34 113.70 117.71 1ujs s SER 49 Ca 0.28 2.80 0.28 0.00 1.31 0.00 0.00 55.95 60.62 1ujs s SER 49 Cb -0.16 -2.64 0.97 0.00 0.21 0.00 0.00 66.02 64.39 1ujs s SER 49 CO 0.13 -0.74 1.26 0.00 0.41 0.00 0.00 173.24 174.31 1ujs n GLN 50 N 1.66 0.01 -0.02 12.44 6.02 -1.26 0.19 117.38 136.43 1ujs n GLN 50 Ca 0.05 0.98 -0.16 0.00 -0.01 0.00 0.00 57.00 57.85 1ujs n GLN 50 Cb 0.40 -2.41 -0.11 0.00 1.02 0.00 0.00 30.24 29.14 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 0.32 0.00 -1.09 5.08 -1.98 -3.28 114.58 113.63 1ujs h GLU 51 Ca 0.52 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1ujs h GLU 51 Cb 2.90 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 32.23 1ujs h GLU 51 CO -0.01 1.00 -0.30 0.93 -1.00 0.00 0.00 179.01 179.63 1ujs h GLU 52 N -0.24 0.00 -1.55 2.33 4.39 0.18 -3.15 114.58 116.54 1ujs h GLU 52 Ca -0.05 0.00 0.48 0.00 0.34 0.00 0.00 59.36 60.13 1ujs h GLU 52 Cb 1.13 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.69 1ujs h GLU 52 CO 0.08 0.64 1.07 0.34 -1.16 0.00 0.00 179.01 179.98 1ujs n PHE 53 N -4.62 0.25 0.09 4.33 -0.00 0.11 0.23 117.46 117.85 1ujs n PHE 53 Ca -0.11 0.26 -0.23 0.00 -0.00 0.00 0.00 57.45 57.36 1ujs n PHE 53 Cb 0.37 -0.69 -0.15 0.00 -0.00 0.00 0.00 39.48 39.01 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 0.76 0.00 -5.13 5.03 -1.61 -2.42 116.97 113.60 1ujs h TYR 54 Ca 0.82 -0.55 0.00 0.00 2.58 0.00 0.00 58.73 61.57 1ujs h TYR 54 Cb 3.03 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.28 1ujs h TYR 54 CO -0.00 1.63 0.00 1.96 -1.32 0.00 0.00 178.16 180.43 1ujs h GLN 55 N 0.11 0.00 0.00 1.82 4.20 0.30 1.78 115.11 123.32 1ujs h GLN 55 Ca -0.32 0.00 -0.12 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 29.87 1ujs h GLN 55 CO 0.20 0.00 -1.30 0.28 -0.67 0.00 0.00 178.83 177.34 1ujs n VAL 56 N -2.47 1.50 0.07 -0.54 0.31 -0.12 -4.64 118.33 112.44 1ujs n VAL 56 Ca -0.00 0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1ujs n VAL 56 Cb 0.15 -2.23 -0.13 0.00 -0.91 0.00 0.00 33.84 30.72 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 0.28 0.00 3.52 -1.00 -1.43 -3.48 116.94 113.83 1ujs h PHE 57 Ca -0.19 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.39 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 -0.29 1.18 0.00 0.41 -1.61 0.00 0.00 178.31 178.00 1ujs n GLY 58 N 1.49 1.26 3.81 -1.45 0.00 0.60 -5.04 105.19 105.86 1ujs n GLY 58 Ca -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.81 1.42 0.03 1.61 0.23 -1.18 -4.99 119.30 115.61 1ujs s MET 59 Ca 0.00 -0.84 -0.13 0.00 -1.03 0.00 0.00 55.69 53.69 1ujs s MET 59 Cb 0.00 0.45 -0.06 0.00 -1.53 0.00 0.00 34.83 33.69 1ujs s MET 59 CO 0.00 -0.66 0.40 0.95 -2.03 0.00 0.00 175.02 173.69 1ujs s THR 60 N -2.95 5.06 0.36 3.16 -4.23 -1.26 -3.34 115.64 112.43 1ujs s THR 60 Ca 0.15 0.69 0.21 0.00 -1.18 0.00 0.00 61.69 61.55 1ujs s THR 60 Cb -0.03 -3.68 0.34 0.00 1.34 0.00 0.00 72.50 70.48 1ujs s THR 60 CO 0.05 0.47 1.50 0.00 -0.54 0.00 0.00 174.62 176.10 1ujs n ILE 61 N 1.47 -0.39 -0.29 2.99 0.13 -1.26 0.17 119.36 122.18 1ujs n ILE 61 Ca -0.12 1.92 0.00 0.00 -1.10 0.00 0.00 62.75 63.45 1ujs n ILE 61 Cb 0.52 -3.12 0.13 0.00 -0.84 0.00 0.00 39.64 36.33 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 0.76 0.61 9.51 0.02 -2.00 -0.45 113.55 122.00 1ujs h SER 62 Ca 0.81 0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 61.53 1ujs h SER 62 Cb 2.18 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.59 1ujs h SER 62 CO -0.71 0.48 -1.16 -0.33 -1.14 0.00 0.00 176.83 173.98 1ujs h GLU 63 N 0.89 0.27 0.15 3.45 5.08 0.14 -3.29 114.58 121.27 1ujs h GLU 63 Ca 0.35 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ujs h GLU 63 Cb 0.18 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ujs h GLU 63 CO -0.18 1.17 -0.08 0.35 -1.00 0.00 0.00 179.01 179.28 1ujs h PHE 64 N 0.09 -0.20 0.00 4.33 3.57 -0.39 -1.15 116.94 123.19 1ujs h PHE 64 Ca -0.11 -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 40.67 1ujs h PHE 64 CO 0.06 -0.12 0.00 -0.25 -2.23 0.00 0.00 178.31 175.76 1ujs n ASP 65 N -5.18 0.28 -0.69 0.41 8.00 -0.23 -0.19 116.55 118.94 1ujs n ASP 65 Ca -0.08 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.16 1ujs n ASP 65 Cb 0.11 -0.66 0.35 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.87 1.94 -2.29 -1.24 1.74 -0.44 -4.92 116.66 109.57 1ujs n ARG 66 Ca -0.00 -1.38 -0.26 0.00 -0.77 0.00 0.00 57.85 55.43 1ujs n ARG 66 Cb 0.03 -1.45 0.15 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.77 2.85 0.17 0.55 1.43 0.74 -5.06 118.68 117.59 1ujs s LEU 67 Ca 0.34 -0.10 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 1ujs s LEU 67 Cb 0.20 -2.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 1ujs s LEU 67 CO 0.30 -2.30 0.82 0.00 0.23 0.00 0.00 176.35 175.40 1ujs s ALA 68 N -3.50 3.41 0.20 4.21 0.00 -1.26 -4.81 121.76 120.00 1ujs s ALA 68 Ca 0.70 0.42 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 1ujs s ALA 68 Cb -0.04 -3.03 0.22 0.00 0.00 0.00 0.00 23.12 20.27 1ujs s ALA 68 CO 0.49 0.24 1.29 -0.11 0.00 0.00 0.00 175.76 177.67 1ujs n LEU 69 N 1.72 -0.51 -0.34 0.00 -0.00 -1.26 0.20 117.00 116.81 1ujs n LEU 69 Ca -0.04 1.45 0.03 0.00 -0.00 0.00 0.00 56.01 57.45 1ujs n LEU 69 Cb 0.48 -0.34 0.18 0.00 -0.00 0.00 0.00 43.42 43.74 1ujs n LEU 69 CO 0.47 -1.31 1.22 4.11 -0.00 0.00 0.00 177.39 181.88 1ujs h TRP 70 N 0.00 1.09 -0.14 1.96 5.08 -1.97 0.57 115.95 122.53 1ujs h TRP 70 Ca 0.30 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.27 1ujs h TRP 70 Cb 0.51 -0.35 -0.00 0.00 -3.00 0.00 0.00 29.16 26.32 1ujs h TRP 70 CO -0.72 0.52 -0.04 -0.22 -1.28 0.00 0.00 178.44 176.69 1ujs h LYS 71 N 1.03 0.29 0.00 0.12 1.63 0.18 0.76 116.57 120.58 1ujs h LYS 71 Ca 0.43 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 60.09 1ujs h LYS 71 Cb 0.26 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1ujs h LYS 71 CO -0.20 0.58 -0.11 0.00 -3.45 0.00 0.00 179.45 176.27 1ujs h ARG 72 N -0.03 0.00 0.00 1.90 3.08 0.07 0.17 114.38 119.58 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 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1ujs h ARG 72 CO 0.02 0.11 -1.29 0.09 -1.07 0.00 0.00 179.97 177.82 1ujs n ASN 73 N -4.34 0.59 0.04 7.04 3.02 0.15 -3.83 115.26 117.93 1ujs n ASN 73 Ca -0.03 0.20 -0.21 0.00 -0.03 0.00 0.00 54.58 54.51 1ujs n ASN 73 Cb 0.18 0.92 -0.14 0.00 -0.61 0.00 0.00 39.78 40.13 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 0.56 3.52 4.81 0.14 -3.24 114.58 120.68 1ujs h GLU 74 Ca 0.00 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1ujs h GLU 74 Cb 0.98 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ujs h GLU 74 CO 0.00 1.25 -0.29 -0.07 -0.73 0.00 0.00 179.01 179.17 1ujs h LEU 75 N -0.26 -0.71 -0.93 1.64 3.38 -0.87 -2.55 115.31 115.01 1ujs h LEU 75 Ca -0.24 0.03 0.19 0.00 0.09 0.00 0.00 57.88 57.96 1ujs h LEU 75 Cb 1.78 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 42.61 1ujs h LEU 75 CO 0.13 -0.48 0.50 0.11 0.09 0.00 0.00 178.44 178.79 1ujs h LYS 76 N -0.79 0.59 -0.61 1.13 1.57 -1.74 0.31 116.57 117.03 1ujs h LYS 76 Ca -0.07 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1ujs h LYS 76 Cb 0.62 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1ujs h LYS 76 CO 0.11 0.39 0.40 0.87 -0.57 0.00 0.00 179.45 180.65 1ujs h LYS 77 N 0.60 0.73 0.00 3.15 1.57 -1.50 0.27 116.57 121.40 1ujs h LYS 77 Ca 0.55 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1ujs h LYS 77 Cb 0.93 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1ujs h LYS 77 CO -0.43 0.49 -0.16 1.96 -0.57 0.00 0.00 179.45 180.73 1ujs h GLN 78 N 0.76 0.00 -0.72 3.15 4.20 -0.09 -3.18 115.11 119.24 1ujs h GLN 78 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1ujs h GLN 78 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1ujs h GLN 78 CO -0.06 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.10 1ujs n ALA 79 N -2.10 2.38 -2.68 3.87 0.00 -0.13 -4.93 120.51 116.92 1ujs n ALA 79 Ca 0.03 -1.28 -0.20 0.00 0.00 0.00 0.00 53.44 51.99 1ujs n ALA 79 Cb 0.53 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 1.66 -2.87 -0.12 0.00 1.74 0.00 -4.75 116.66 112.31 1ujs n ARG 80 Ca 0.24 0.84 0.06 0.00 -0.77 0.00 0.00 57.85 58.22 1ujs n ARG 80 Cb 0.63 -5.56 0.11 0.00 -1.02 0.00 0.00 32.46 26.62 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 2.56 -4.42 0.55 4.77 0.75 0.26 117.00 118.13 1ujs n LEU 81 Ca -0.17 -2.56 -0.31 0.00 -0.03 0.00 0.00 56.01 52.94 1ujs n LEU 81 Cb 0.64 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1ujs n LEU 81 CO 0.34 0.64 -0.51 0.12 -1.33 0.00 0.00 177.39 176.65 1ujs s PHE 82 N -1.98 2.52 0.00 -1.77 2.19 -1.15 -4.36 117.98 113.43 1ujs s PHE 82 Ca 0.22 -0.29 0.00 0.00 0.33 0.00 0.00 56.93 57.19 1ujs s PHE 82 Cb 0.17 -1.48 0.00 0.00 -1.31 0.00 0.00 43.02 40.40 1ujs s PHE 82 CO 0.05 0.19 0.00 0.45 1.83 0.00 0.00 175.22 177.73 1ujs n SER 83 N 1.81 1.59 0.00 6.13 2.88 -1.22 -4.86 113.62 119.95 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 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 2.04 2.14 3.62 0.46 0.00 -1.26 -4.96 105.19 107.22 1ujs n GLY 84 Ca 0.00 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 -4.87 3.68 -0.05 1.61 0.04 -1.26 -4.89 135.00 129.26 1ujs s PRO 85 Ca 0.00 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 1ujs s PRO 85 Cb 0.00 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 1ujs s PRO 85 CO 0.00 -1.43 0.40 0.45 0.04 0.00 0.00 177.00 176.46 1ujs s SER 86 N 4.61 6.72 -0.41 6.66 0.15 -1.26 -5.06 113.70 125.10 1ujs s SER 86 Ca 0.72 0.85 -0.14 0.00 0.70 0.00 0.00 55.95 58.09 1ujs s SER 86 Cb -0.23 -2.25 0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1ujs s SER 86 CO 0.30 0.22 0.29 -0.44 1.20 0.00 0.00 173.24 174.81 1ujs s SER 87 N -0.44 5.98 0.00 5.45 0.01 -1.26 -5.24 113.70 118.19 1ujs s SER 87 Ca 0.23 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1ujs s SER 87 Cb -0.16 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1ujs s SER 87 CO 0.11 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.89