#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub5 s VAL 2 N 0.00 0.48 -0.05 3.84 1.01 -1.25 -3.77 120.40 120.65 1ub5 s VAL 2 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1ub5 s VAL 2 Cb 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 36.38 35.79 1ub5 s VAL 2 CO 0.00 0.19 0.76 -1.59 0.00 0.00 0.00 175.10 174.46 1ub5 s LYS 3 N 1.92 0.95 0.00 2.72 -2.85 -0.90 -4.99 119.74 116.60 1ub5 s LYS 3 Ca 0.04 0.12 0.04 0.00 -1.00 0.00 0.00 55.97 55.17 1ub5 s LYS 3 Cb -0.13 0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1ub5 s LYS 3 CO -0.06 -0.32 -0.10 -0.51 0.10 0.00 0.00 175.35 174.46 1ub5 s LEU 4 N -1.41 2.99 -0.18 2.77 1.43 -1.26 -1.85 118.68 121.17 1ub5 s LEU 4 Ca -0.06 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1ub5 s LEU 4 Cb -0.00 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.56 1ub5 s LEU 4 CO 0.04 0.29 0.01 -0.22 0.23 0.00 0.00 176.35 176.71 1ub5 s LEU 5 N -1.29 1.23 0.34 1.79 2.96 -0.05 -4.20 118.68 119.46 1ub5 s LEU 5 Ca 0.15 -0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 53.24 1ub5 s LEU 5 Cb -0.11 -0.65 -0.07 0.00 0.50 0.00 0.00 46.19 45.87 1ub5 s LEU 5 CO 0.06 -0.27 0.69 -1.61 -1.32 0.00 0.00 176.35 173.89 1ub5 s GLU 6 N 1.82 3.80 0.23 1.98 8.01 -1.26 -2.24 118.70 131.05 1ub5 s GLU 6 Ca -0.00 0.39 -0.19 0.00 0.01 0.00 0.00 54.97 55.18 1ub5 s GLU 6 Cb -0.16 -2.49 0.03 0.00 -4.31 0.00 0.00 34.13 27.20 1ub5 s GLU 6 CO -0.07 0.11 0.62 -1.54 0.01 0.00 0.00 175.26 174.38 1ub5 s SER 7 N -2.84 -0.28 0.00 -0.19 1.04 -0.54 -4.73 113.70 106.16 1ub5 s SER 7 Ca 0.50 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1ub5 s SER 7 Cb -0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1ub5 s SER 7 CO 0.26 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1ub5 n GLY 8 N -0.40 0.46 3.75 7.32 0.00 -1.26 -1.36 105.19 113.69 1ub5 n GLY 8 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1ub5 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ub5 s GLY 9 N -1.56 1.59 0.00 -0.02 0.00 -1.26 -4.72 107.32 101.35 1ub5 s GLY 9 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1ub5 s GLY 9 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.92 1ub5 n GLY 10 N -1.65 -0.99 3.75 0.20 0.00 0.12 -4.89 105.19 101.72 1ub5 n GLY 10 Ca 0.06 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 1ub5 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub5 s LEU 11 N 0.00 4.48 -0.00 0.99 1.02 -1.26 -0.69 118.68 123.22 1ub5 s LEU 11 Ca 0.00 1.55 -0.00 0.00 0.02 0.00 0.00 54.13 55.69 1ub5 s LEU 11 Cb 0.00 -3.31 -0.00 0.00 0.02 0.00 0.00 46.19 42.90 1ub5 s LEU 11 CO 0.00 0.02 0.00 -0.69 0.02 0.00 0.00 176.35 175.71 1ub5 s VAL 12 N -0.19 0.01 0.39 -1.59 1.01 0.19 -4.93 120.40 115.29 1ub5 s VAL 12 Ca 0.40 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 1ub5 s VAL 12 Cb -0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 1ub5 s VAL 12 CO 0.25 -0.05 1.01 -0.54 0.00 0.00 0.00 175.10 175.76 1ub5 s LYS 13 N -0.15 4.24 0.23 2.72 -0.14 -1.25 -0.13 119.74 125.26 1ub5 s LYS 13 Ca -0.02 1.39 -0.31 0.00 -1.36 0.00 0.00 55.97 55.68 1ub5 s LYS 13 Cb -0.01 -2.51 -0.14 0.00 -1.68 0.00 0.00 37.83 33.49 1ub5 s LYS 13 CO -0.00 -0.05 1.26 -2.30 -0.76 0.00 0.00 175.35 173.50 1ub5 n PRO 14 N -0.09 1.65 -0.12 -1.68 -0.02 -1.26 -0.54 135.00 132.94 1ub5 n PRO 14 Ca 0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1ub5 n PRO 14 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1ub5 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ub5 n GLY 15 N 1.89 1.76 2.60 -1.23 0.00 0.24 -4.92 105.19 105.52 1ub5 n GLY 15 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1ub5 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub5 n GLY 16 N -2.00 -0.86 3.37 -0.02 0.00 0.30 -3.85 105.19 102.13 1ub5 n GLY 16 Ca 0.00 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 1ub5 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ub5 s SER 17 N -4.14 2.56 -0.14 1.61 1.04 -1.26 -1.43 113.70 111.94 1ub5 s SER 17 Ca 0.49 -1.09 -0.29 0.00 0.48 0.00 0.00 55.95 55.55 1ub5 s SER 17 Cb -0.02 -0.13 0.07 0.00 0.10 0.00 0.00 66.02 66.04 1ub5 s SER 17 CO 0.34 -0.26 0.70 -0.22 0.98 0.00 0.00 173.24 174.78 1ub5 s LEU 18 N -3.35 -0.69 -0.17 2.42 2.96 -0.78 -4.99 118.68 114.07 1ub5 s LEU 18 Ca 0.25 1.01 0.01 0.00 -0.22 0.00 0.00 54.13 55.18 1ub5 s LEU 18 Cb 0.01 2.51 0.02 0.00 0.50 0.00 0.00 46.19 49.23 1ub5 s LEU 18 CO 0.08 -0.46 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.72 1ub5 s LYS 19 N -0.55 2.81 0.17 1.98 2.20 -1.26 0.11 119.74 125.20 1ub5 s LYS 19 Ca -0.06 -0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1ub5 s LYS 19 Cb -0.02 -2.46 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 1ub5 s LYS 19 CO 0.06 -0.22 0.39 -0.51 -0.36 0.00 0.00 175.35 174.71 1ub5 s LEU 20 N 1.34 4.24 0.14 5.43 1.43 0.31 -4.69 118.68 126.88 1ub5 s LEU 20 Ca 0.05 0.52 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 1ub5 s LEU 20 Cb -0.13 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1ub5 s LEU 20 CO -0.12 0.00 -0.10 -0.94 0.23 0.00 0.00 176.35 175.42 1ub5 s SER 21 N -2.76 1.79 -0.09 2.29 1.04 -0.47 -1.35 113.70 114.15 1ub5 s SER 21 Ca 0.40 -1.00 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 1ub5 s SER 21 Cb -0.12 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.04 1ub5 s SER 21 CO 0.27 -0.32 0.21 0.00 0.98 0.00 0.00 173.24 174.38 1ub5 s THR 23 N 1.54 1.89 0.18 0.00 -4.23 -0.95 -0.61 115.64 113.45 1ub5 s THR 23 Ca -0.06 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.18 1ub5 s THR 23 Cb -0.11 -2.85 0.06 0.00 1.34 0.00 0.00 72.50 70.93 1ub5 s THR 23 CO -0.07 -0.06 0.59 0.00 -0.54 0.00 0.00 174.62 174.53 1ub5 s ALA 24 N -2.81 -1.43 -0.09 3.99 0.00 -1.26 -0.87 121.76 119.29 1ub5 s ALA 24 Ca 0.34 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1ub5 s ALA 24 Cb 0.08 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1ub5 s ALA 24 CO 0.17 -0.80 -0.20 -1.54 0.00 0.00 0.00 175.76 173.39 1ub5 s SER 25 N -2.79 2.69 0.00 0.00 1.04 -0.77 -4.69 113.70 109.18 1ub5 s SER 25 Ca 0.03 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1ub5 s SER 25 Cb -0.01 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.87 1ub5 s SER 25 CO -0.09 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1ub5 n GLY 26 N 3.62 1.19 3.06 7.32 0.00 -1.25 -2.12 105.19 117.02 1ub5 n GLY 26 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1ub5 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub5 s ILE 27 N -2.80 1.36 -0.62 -0.61 1.01 -1.26 -4.97 121.20 113.31 1ub5 s ILE 27 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 1ub5 s ILE 27 Cb 0.00 -1.23 0.16 0.00 0.01 0.00 0.00 42.46 41.40 1ub5 s ILE 27 CO 0.00 0.41 0.55 -0.89 0.00 0.00 0.00 174.94 175.01 1ub5 s THR 28 N 0.67 5.08 0.38 2.92 2.01 -1.26 -4.84 115.64 120.60 1ub5 s THR 28 Ca -0.14 -1.94 0.19 0.00 0.31 0.00 0.00 61.69 60.11 1ub5 s THR 28 Cb -0.16 -4.23 0.38 0.00 0.01 0.00 0.00 72.50 68.50 1ub5 s THR 28 CO 0.04 -0.90 1.68 -0.26 -0.69 0.00 0.00 174.62 174.49 1ub5 h PHE 29 N 8.36 0.76 -0.01 4.92 0.05 -1.94 -1.61 116.94 127.47 1ub5 h PHE 29 Ca -0.14 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.68 1ub5 h PHE 29 Cb 1.07 -0.21 -0.00 0.00 2.00 0.00 0.00 35.95 38.81 1ub5 h PHE 29 CO 0.81 -0.11 0.04 0.66 -0.18 0.00 0.00 178.31 179.53 1ub5 h SER 30 N 0.30 0.00 0.78 2.17 4.64 -1.93 -2.45 113.55 117.05 1ub5 h SER 30 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1ub5 h SER 30 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1ub5 h SER 30 CO -0.47 0.00 -0.49 0.54 -0.87 0.00 0.00 176.83 175.54 1ub5 n ARG 32 N -3.29 0.16 -4.59 4.77 1.74 -0.60 -4.59 116.66 110.25 1ub5 n ARG 32 Ca -0.03 0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.84 1ub5 n ARG 32 Cb 0.11 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 1ub5 n ARG 32 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ub5 s TYR 34 N -3.09 2.08 -0.52 -1.55 1.51 -0.92 -4.78 117.35 110.08 1ub5 s TYR 34 Ca 0.09 -0.93 -0.24 0.00 -1.01 0.00 0.00 57.07 54.98 1ub5 s TYR 34 Cb 0.15 -1.50 0.04 0.00 -0.11 0.00 0.00 41.96 40.55 1ub5 s TYR 34 CO 0.69 0.14 0.90 0.42 -1.11 0.00 0.00 175.55 176.60 1ub5 s ILE 35 N -3.00 4.46 0.03 2.71 1.01 -1.26 -3.31 121.20 121.84 1ub5 s ILE 35 Ca 0.26 0.34 -0.08 0.00 0.00 0.00 0.00 60.65 61.17 1ub5 s ILE 35 Cb 0.06 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1ub5 s ILE 35 CO 0.13 -1.01 0.32 -0.04 0.00 0.00 0.00 174.94 174.34 1ub5 s MET 36 N 3.77 3.65 0.21 2.79 -1.94 -0.10 -4.16 119.30 123.52 1ub5 s MET 36 Ca 0.31 0.02 0.01 0.00 -1.71 0.00 0.00 55.69 54.32 1ub5 s MET 36 Cb -0.12 -3.05 -0.05 0.00 2.01 0.00 0.00 34.83 33.62 1ub5 s MET 36 CO 0.20 0.62 0.05 -1.12 -0.01 0.00 0.00 175.02 174.76 1ub5 s SER 37 N -1.72 1.09 -0.04 3.03 0.01 -0.02 -0.67 113.70 115.39 1ub5 s SER 37 Ca 0.29 -1.27 0.05 0.00 1.31 0.00 0.00 55.95 56.33 1ub5 s SER 37 Cb -0.13 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1ub5 s SER 37 CO 0.17 -0.66 -0.18 0.26 0.41 0.00 0.00 173.24 173.24 1ub5 s TRP 38 N -3.75 1.71 0.07 2.43 0.52 0.38 -0.28 118.94 120.03 1ub5 s TRP 38 Ca 0.30 -0.46 0.01 0.00 0.02 0.00 0.00 56.10 55.98 1ub5 s TRP 38 Cb 0.07 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 1ub5 s TRP 38 CO 0.08 -0.14 -0.06 0.08 0.02 0.00 0.00 176.95 176.93 1ub5 s VAL 39 N -0.06 0.55 0.04 4.03 1.01 -0.19 -1.20 120.40 124.58 1ub5 s VAL 39 Ca -0.02 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.27 1ub5 s VAL 39 Cb -0.11 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1ub5 s VAL 39 CO 0.02 -0.79 -0.07 0.00 0.00 0.00 0.00 175.10 174.26 1ub5 s ARG 40 N -3.32 0.49 -0.23 2.72 1.70 0.26 0.38 118.95 120.94 1ub5 s ARG 40 Ca 0.06 -0.75 0.02 0.00 -0.47 0.00 0.00 55.73 54.58 1ub5 s ARG 40 Cb 0.02 -0.20 0.04 0.00 -0.57 0.00 0.00 34.95 34.25 1ub5 s ARG 40 CO -0.05 0.02 -0.13 -1.14 -1.08 0.00 0.00 175.30 172.93 1ub5 s GLN 41 N -1.65 2.55 0.58 3.89 0.74 0.36 -0.86 119.66 125.28 1ub5 s GLN 41 Ca -0.10 -1.14 0.09 0.00 0.05 0.00 0.00 55.36 54.25 1ub5 s GLN 41 Cb -0.09 -2.80 0.09 0.00 1.10 0.00 0.00 33.01 31.30 1ub5 s GLN 41 CO -0.00 -0.44 0.80 0.96 -0.55 0.00 0.00 175.29 176.06 1ub5 s ILE 42 N 1.19 2.19 0.32 -2.34 -4.36 -1.26 -1.36 121.20 115.58 1ub5 s ILE 42 Ca -0.03 -0.96 0.10 0.00 -0.26 0.00 0.00 60.65 59.49 1ub5 s ILE 42 Cb -0.17 -2.23 0.33 0.00 1.25 0.00 0.00 42.46 41.64 1ub5 s ILE 42 CO -0.07 0.00 1.65 -0.65 0.24 0.00 0.00 174.94 176.11 1ub5 h PRO 43 N 0.14 0.26 -0.77 0.37 0.11 -1.97 0.57 132.00 130.71 1ub5 h PRO 43 Ca -0.31 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.01 1ub5 h PRO 43 Cb 1.29 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1ub5 h PRO 43 CO 0.41 0.17 0.62 1.05 -0.21 0.00 0.00 178.00 180.04 1ub5 h GLU 44 N 0.27 0.00 -0.05 1.05 4.11 -2.01 -3.44 114.58 114.51 1ub5 h GLU 44 Ca 0.67 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 60.08 1ub5 h GLU 44 Cb 1.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1ub5 h GLU 44 CO -0.64 0.00 -0.02 1.17 0.07 0.00 0.00 179.01 179.59 1ub5 n LYS 45 N -4.05 -0.17 -3.80 1.06 3.00 0.20 -5.03 118.16 109.37 1ub5 n LYS 45 Ca 0.16 0.31 -0.37 0.00 -0.00 0.00 0.00 58.31 58.41 1ub5 n LYS 45 Cb 0.90 -3.68 -0.13 0.00 0.00 0.00 0.00 35.03 32.12 1ub5 n LYS 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1ub5 s ARG 46 N -1.18 3.08 0.26 1.64 3.52 -1.26 -4.93 118.95 120.07 1ub5 s ARG 46 Ca 0.00 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.46 1ub5 s ARG 46 Cb 0.00 -3.28 -0.15 0.00 -1.56 0.00 0.00 34.95 29.96 1ub5 s ARG 46 CO 0.00 -0.41 0.95 1.28 -0.81 0.00 0.00 175.30 176.31 1ub5 n LEU 47 N 4.83 1.28 -4.04 -0.88 7.99 -1.26 -4.58 117.00 120.34 1ub5 n LEU 47 Ca -0.15 1.17 -0.26 0.00 -0.01 0.00 0.00 56.01 56.76 1ub5 n LEU 47 Cb 0.48 -1.23 -0.17 0.00 -0.11 0.00 0.00 43.42 42.40 1ub5 n LEU 47 CO 0.30 -1.64 -0.48 -0.70 -1.51 0.00 0.00 177.39 173.37 1ub5 s GLU 48 N -1.32 1.85 0.21 3.23 2.12 -0.04 -4.97 118.70 119.78 1ub5 s GLU 48 Ca 0.61 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 1ub5 s GLU 48 Cb -0.76 -1.54 -0.08 0.00 0.26 0.00 0.00 34.13 32.01 1ub5 s GLU 48 CO 0.58 0.01 1.23 -0.46 -0.54 0.00 0.00 175.26 176.08 1ub5 s TRP 49 N 0.74 3.36 -0.14 5.30 -0.00 -1.26 -0.57 118.94 126.37 1ub5 s TRP 49 Ca -0.13 1.39 -0.01 0.00 -0.00 0.00 0.00 56.10 57.35 1ub5 s TRP 49 Cb -0.16 -3.49 -0.08 0.00 -0.00 0.00 0.00 33.47 29.75 1ub5 s TRP 49 CO 0.03 -1.39 -0.14 0.28 -0.00 0.00 0.00 176.95 175.73 1ub5 n VAL 50 N 2.33 0.77 -3.58 5.86 0.31 -0.34 -4.76 118.33 118.92 1ub5 n VAL 50 Ca 0.04 -0.27 -0.06 0.00 -0.01 0.00 0.00 64.34 64.04 1ub5 n VAL 50 Cb 0.44 -1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.18 1ub5 n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ub5 s ALA 51 N -2.27 -2.00 0.03 3.52 0.00 -0.99 -4.22 121.76 115.83 1ub5 s ALA 51 Ca -0.19 1.55 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 1ub5 s ALA 51 Cb 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1ub5 s ALA 51 CO 0.30 -0.47 0.12 -1.12 0.00 0.00 0.00 175.76 174.58 1ub5 s SER 52 N -1.74 0.12 -0.04 0.00 0.01 -0.72 -0.47 113.70 110.87 1ub5 s SER 52 Ca 0.06 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.87 1ub5 s SER 52 Cb -0.01 0.23 0.03 0.00 0.21 0.00 0.00 66.02 66.48 1ub5 s SER 52 CO -0.04 -0.48 0.06 -0.51 0.41 0.00 0.00 173.24 172.68 1ub5 s ILE 53 N -2.31 -0.10 1.04 1.44 2.07 0.15 -0.84 121.20 122.65 1ub5 s ILE 53 Ca -0.07 0.33 -0.16 0.00 -1.41 0.00 0.00 60.65 59.34 1ub5 s ILE 53 Cb -0.03 -0.14 0.21 0.00 0.13 0.00 0.00 42.46 42.64 1ub5 s ILE 53 CO -0.03 0.14 1.17 -0.94 -1.91 0.00 0.00 174.94 173.37 1ub5 s SER 54 N 1.71 2.36 0.38 4.50 1.04 -0.19 -0.92 113.70 122.58 1ub5 s SER 54 Ca -0.01 0.67 0.12 0.00 0.48 0.00 0.00 55.95 57.21 1ub5 s SER 54 Cb -0.12 -0.98 0.74 0.00 0.10 0.00 0.00 66.02 65.75 1ub5 s SER 54 CO -0.03 -3.24 1.84 0.77 0.98 0.00 0.00 173.24 173.57 1ub5 h SER 55 N -1.97 0.03 0.65 7.02 4.64 -1.80 -1.18 113.55 120.93 1ub5 h SER 55 Ca -0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ub5 h SER 55 Cb 1.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ub5 h SER 55 CO 0.45 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 1ub5 n GLY 56 N -0.54 -1.16 1.00 -0.77 0.00 -1.26 -4.88 105.19 97.58 1ub5 n GLY 56 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ub5 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub5 n GLY 57 N 0.56 0.69 3.73 -0.02 0.00 -0.45 -5.04 105.19 104.67 1ub5 n GLY 57 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ub5 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub5 s ILE 58 N -2.62 3.32 0.07 -0.61 -1.09 -1.26 -4.73 121.20 114.28 1ub5 s ILE 58 Ca 0.00 1.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.49 1ub5 s ILE 58 Cb 0.00 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1ub5 s ILE 58 CO 0.00 0.14 0.15 0.42 -1.23 0.00 0.00 174.94 174.42 1ub5 s THR 59 N 0.31 4.99 -0.00 2.92 -4.23 -1.26 -1.02 115.64 117.34 1ub5 s THR 59 Ca 0.58 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1ub5 s THR 59 Cb -0.36 -3.41 -0.00 0.00 1.34 0.00 0.00 72.50 70.07 1ub5 s THR 59 CO 0.36 0.14 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.23 1ub5 s TYR 60 N -1.44 0.37 -0.01 3.99 1.51 -0.02 -4.99 117.35 116.76 1ub5 s TYR 60 Ca 0.32 -0.07 -0.09 0.00 -1.01 0.00 0.00 57.07 56.22 1ub5 s TYR 60 Cb -0.13 -0.24 0.01 0.00 -0.11 0.00 0.00 41.96 41.49 1ub5 s TYR 60 CO 0.25 -0.01 0.19 0.71 -1.11 0.00 0.00 175.55 175.57 1ub5 s TYR 61 N -0.09 -0.03 0.61 2.71 2.02 -1.26 -1.75 117.35 119.56 1ub5 s TYR 61 Ca 0.01 0.01 -0.07 0.00 -0.37 0.00 0.00 57.07 56.66 1ub5 s TYR 61 Cb -0.02 -0.00 0.01 0.00 -0.40 0.00 0.00 41.96 41.55 1ub5 s TYR 61 CO -0.00 -0.30 0.93 -1.25 -1.57 0.00 0.00 175.55 173.36 1ub5 s PRO 62 N -1.27 2.91 0.38 -1.71 0.04 -1.26 -4.85 135.00 129.23 1ub5 s PRO 62 Ca -0.13 0.06 0.06 0.00 0.04 0.00 0.00 61.00 61.02 1ub5 s PRO 62 Cb -0.07 -2.24 0.78 0.00 0.04 0.00 0.00 34.50 33.01 1ub5 s PRO 62 CO 0.02 -0.75 2.00 -0.44 0.04 0.00 0.00 177.00 177.87 1ub5 h ASP 63 N -0.24 0.60 -1.08 6.66 3.45 -1.97 -1.80 116.42 122.03 1ub5 h ASP 63 Ca -0.45 -0.01 0.31 0.00 0.43 0.00 0.00 57.03 57.31 1ub5 h ASP 63 Cb 1.26 -0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 39.84 1ub5 h ASP 63 CO 0.61 0.41 0.77 0.77 -1.57 0.00 0.00 179.24 180.22 1ub5 h SER 64 N 0.69 0.08 0.00 6.45 4.64 -1.97 -2.92 113.55 120.52 1ub5 h SER 64 Ca 0.25 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1ub5 h SER 64 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ub5 h SER 64 CO -0.07 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.24 1ub5 n VAL 65 N -4.28 0.00 -1.63 0.95 0.24 -1.08 -5.01 118.33 107.52 1ub5 n VAL 65 Ca 0.24 -0.31 -0.49 0.00 -2.04 0.00 0.00 64.34 61.74 1ub5 n VAL 65 Cb 1.10 1.19 -0.05 0.00 -1.47 0.00 0.00 33.84 34.61 1ub5 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ub5 n ALA 66 N -0.31 0.21 0.00 2.33 0.00 -0.70 -0.93 120.51 121.11 1ub5 n ALA 66 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ub5 n ALA 66 Cb 0.05 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1ub5 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub5 n GLY 67 N 3.04 3.09 0.07 0.00 0.00 -1.26 -4.77 105.19 105.36 1ub5 n GLY 67 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1ub5 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub5 n ARG 68 N -1.17 1.51 -4.26 1.61 1.74 -0.11 -5.00 116.66 110.99 1ub5 n ARG 68 Ca 0.00 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 1ub5 n ARG 68 Cb 0.00 -1.35 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 1ub5 n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ub5 s PHE 69 N -2.34 3.13 -0.08 -1.55 2.99 -0.60 -1.73 117.98 117.80 1ub5 s PHE 69 Ca -0.10 0.13 -0.00 0.00 0.00 0.00 0.00 56.93 56.95 1ub5 s PHE 69 Cb 0.04 -1.70 0.03 0.00 0.00 0.00 0.00 43.02 41.39 1ub5 s PHE 69 CO 0.54 0.48 -0.04 0.99 -0.00 0.00 0.00 175.22 177.19 1ub5 s THR 70 N -1.07 0.68 -0.12 0.64 2.01 0.03 -4.86 115.64 112.95 1ub5 s THR 70 Ca 0.19 -0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 1ub5 s THR 70 Cb -0.12 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1ub5 s THR 70 CO 0.10 0.30 0.19 -0.51 -0.69 0.00 0.00 174.62 174.01 1ub5 s ILE 71 N 1.66 5.40 0.13 1.82 2.07 -1.26 -0.62 121.20 130.40 1ub5 s ILE 71 Ca 0.02 0.33 -0.08 0.00 -1.41 0.00 0.00 60.65 59.51 1ub5 s ILE 71 Cb -0.13 -3.48 -0.01 0.00 0.13 0.00 0.00 42.46 38.97 1ub5 s ILE 71 CO -0.05 0.55 0.21 -0.94 -1.91 0.00 0.00 174.94 172.80 1ub5 s SER 72 N -0.59 0.12 -0.00 4.50 1.04 -0.85 -5.00 113.70 112.92 1ub5 s SER 72 Ca 0.15 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.74 1ub5 s SER 72 Cb -0.13 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 1ub5 s SER 72 CO 0.04 -0.81 -0.03 -0.60 0.98 0.00 0.00 173.24 172.82 1ub5 s ARG 73 N -3.94 0.26 -0.56 4.02 3.52 -1.26 -0.30 118.95 120.69 1ub5 s ARG 73 Ca 0.14 -0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.53 1ub5 s ARG 73 Cb 0.04 -0.26 0.14 0.00 -1.56 0.00 0.00 34.95 33.31 1ub5 s ARG 73 CO -0.04 0.06 0.46 0.34 -0.81 0.00 0.00 175.30 175.31 1ub5 s ASP 74 N -0.02 5.93 0.49 -2.12 3.68 0.31 -4.94 116.67 119.99 1ub5 s ASP 74 Ca 0.01 -2.11 0.14 0.00 2.13 0.00 0.00 52.55 52.71 1ub5 s ASP 74 Cb -0.02 -2.07 1.15 0.00 -1.45 0.00 0.00 42.92 40.53 1ub5 s ASP 74 CO -0.00 -0.68 2.11 0.78 0.13 0.00 0.00 175.17 177.51 1ub5 h ASN 75 N 8.29 0.15 0.24 -0.34 2.35 -1.97 0.79 115.58 125.09 1ub5 h ASN 75 Ca -0.16 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1ub5 h ASN 75 Cb 1.06 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1ub5 h ASN 75 CO 0.87 0.11 -0.12 0.58 -1.65 0.00 0.00 177.43 177.22 1ub5 h VAL 76 N 0.18 0.54 -0.00 2.81 2.07 -1.97 -3.29 116.25 116.59 1ub5 h VAL 76 Ca 0.06 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ub5 h VAL 76 Cb 0.04 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ub5 h VAL 76 CO -0.01 0.14 -0.00 0.54 0.02 0.00 0.00 177.57 178.25 1ub5 n ARG 77 N -5.00 0.32 -3.16 1.57 1.74 -1.20 -4.95 116.66 105.99 1ub5 n ARG 77 Ca -0.07 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.92 1ub5 n ARG 77 Cb 0.24 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1ub5 n ARG 77 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ub5 n ASN 78 N -1.34 -7.10 -3.95 0.55 5.15 0.23 -5.02 115.26 103.79 1ub5 n ASN 78 Ca 0.12 -0.44 -0.18 0.00 -0.60 0.00 0.00 54.58 53.49 1ub5 n ASN 78 Cb 0.27 -5.22 -0.15 0.00 -0.53 0.00 0.00 39.78 34.14 1ub5 n ASN 78 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ub5 s ILE 79 N -3.22 0.54 -0.10 -1.44 1.01 -0.98 -4.40 121.20 112.61 1ub5 s ILE 79 Ca 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 1ub5 s ILE 79 Cb -0.03 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1ub5 s ILE 79 CO 0.74 0.18 0.01 -0.22 0.00 0.00 0.00 174.94 175.65 1ub5 s LEU 80 N 0.28 3.60 0.16 2.97 0.20 0.22 -0.53 118.68 125.58 1ub5 s LEU 80 Ca -0.03 0.13 0.08 0.00 0.69 0.00 0.00 54.13 54.99 1ub5 s LEU 80 Cb -0.08 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1ub5 s LEU 80 CO -0.00 0.34 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.93 1ub5 s TYR 81 N -0.67 1.67 -0.28 5.38 1.51 0.59 0.30 117.35 125.85 1ub5 s TYR 81 Ca 0.11 -0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1ub5 s TYR 81 Cb -0.12 -0.84 0.10 0.00 -0.11 0.00 0.00 41.96 40.99 1ub5 s TYR 81 CO 0.02 0.28 0.12 -1.17 -1.11 0.00 0.00 175.55 173.69 1ub5 s LEU 82 N -2.72 0.68 -0.28 -1.29 0.20 -0.46 -2.00 118.68 112.82 1ub5 s LEU 82 Ca 0.15 -1.27 -0.20 0.00 0.69 0.00 0.00 54.13 53.50 1ub5 s LEU 82 Cb -0.05 -0.39 -0.01 0.00 -0.43 0.00 0.00 46.19 45.31 1ub5 s LEU 82 CO 0.05 -0.43 0.63 -1.58 -0.29 0.00 0.00 176.35 174.74 1ub5 s GLN 83 N 2.06 4.00 0.01 1.98 2.00 0.21 -0.53 119.66 129.39 1ub5 s GLN 83 Ca 0.08 0.42 0.02 0.00 -2.00 0.00 0.00 55.36 53.88 1ub5 s GLN 83 Cb -0.16 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 29.92 1ub5 s GLN 83 CO -0.34 -0.50 0.02 -1.64 -0.50 0.00 0.00 175.29 172.33 1ub5 s MET 84 N 2.57 2.82 0.12 1.67 -1.94 0.12 -0.79 119.30 123.86 1ub5 s MET 84 Ca 0.26 -0.62 -0.04 0.00 -1.71 0.00 0.00 55.69 53.58 1ub5 s MET 84 Cb -0.15 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 1ub5 s MET 84 CO 0.10 0.62 0.13 -1.12 -0.01 0.00 0.00 175.02 174.74 1ub5 s SER 85 N -1.73 0.23 -1.57 3.03 0.01 -0.71 -1.86 113.70 111.11 1ub5 s SER 85 Ca 0.21 -0.99 -0.08 0.00 1.31 0.00 0.00 55.95 56.40 1ub5 s SER 85 Cb -0.12 0.33 0.07 0.00 0.21 0.00 0.00 66.02 66.51 1ub5 s SER 85 CO 0.13 -0.75 0.49 -1.20 0.41 0.00 0.00 173.24 172.31 1ub5 n SER 86 N -0.09 -1.26 -4.71 2.44 7.64 -1.10 -4.73 113.62 111.81 1ub5 n SER 86 Ca -0.09 -1.07 -0.42 0.00 1.01 0.00 0.00 58.87 58.30 1ub5 n SER 86 Cb 0.63 -2.61 -0.00 0.00 -1.01 0.00 0.00 64.21 61.22 1ub5 n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ub5 n LEU 87 N -4.41 3.86 -4.44 -3.43 4.77 -0.52 -4.60 117.00 108.24 1ub5 n LEU 87 Ca -0.15 1.19 -0.25 0.00 -0.03 0.00 0.00 56.01 56.77 1ub5 n LEU 87 Cb 0.60 -1.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.08 1ub5 n LEU 87 CO 0.82 -0.42 -0.50 -0.13 -1.33 0.00 0.00 177.39 175.83 1ub5 s ARG 88 N -1.99 1.58 0.47 3.23 3.00 -1.26 0.80 118.95 124.77 1ub5 s ARG 88 Ca 0.56 -1.64 0.18 0.00 0.00 0.00 0.00 55.73 54.83 1ub5 s ARG 88 Cb -0.54 -1.77 1.17 0.00 0.00 0.00 0.00 34.95 33.81 1ub5 s ARG 88 CO 0.62 0.35 1.96 0.66 0.00 0.00 0.00 175.30 178.89 1ub5 h SER 89 N 2.73 0.25 0.39 0.23 4.64 -1.96 0.17 113.55 119.99 1ub5 h SER 89 Ca -0.43 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1ub5 h SER 89 Cb 1.23 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ub5 h SER 89 CO 0.54 0.14 0.00 -1.84 -0.87 0.00 0.00 176.83 174.80 1ub5 n GLU 90 N -4.44 0.02 0.00 4.77 0.28 -1.26 -2.08 120.64 117.93 1ub5 n GLU 90 Ca 0.11 0.34 0.13 0.00 -0.16 0.00 0.00 57.16 57.58 1ub5 n GLU 90 Cb 0.51 -1.55 0.34 0.00 1.43 0.00 0.00 31.44 32.17 1ub5 n GLU 90 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ub5 n ASP 91 N -1.59 0.42 -4.69 -1.84 8.00 0.59 -4.88 116.55 112.57 1ub5 n ASP 91 Ca 0.02 -0.14 -0.44 0.00 0.71 0.00 0.00 54.79 54.94 1ub5 n ASP 91 Cb 0.13 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 1ub5 n ASP 91 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ub5 n THR 92 N -1.44 0.30 0.00 -3.53 -1.04 -0.88 -4.89 114.28 102.80 1ub5 n THR 92 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1ub5 n THR 92 Cb 0.33 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 1ub5 n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ub5 n ALA 93 N 5.23 0.00 -2.60 2.41 0.00 -0.79 -4.74 120.51 120.01 1ub5 n ALA 93 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1ub5 n ALA 93 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 1ub5 n ALA 93 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ub5 s LEU 94 N 0.00 4.03 -0.18 0.00 2.96 -0.47 -1.34 118.68 123.68 1ub5 s LEU 94 Ca 0.00 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.88 1ub5 s LEU 94 Cb 0.00 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1ub5 s LEU 94 CO 0.00 -0.08 0.18 -0.31 -1.32 0.00 0.00 176.35 174.83 1ub5 s TYR 95 N 1.79 3.44 0.03 5.38 1.51 0.32 -0.48 117.35 129.32 1ub5 s TYR 95 Ca 0.09 0.43 0.05 0.00 -1.01 0.00 0.00 57.07 56.63 1ub5 s TYR 95 Cb -0.16 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 1ub5 s TYR 95 CO 0.10 0.30 -0.12 0.71 -1.11 0.00 0.00 175.55 175.44 1ub5 s TYR 96 N 0.30 2.73 -0.13 2.71 2.02 0.16 -1.18 117.35 123.97 1ub5 s TYR 96 Ca 0.11 -0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 56.60 1ub5 s TYR 96 Cb -0.12 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 1ub5 s TYR 96 CO 0.00 0.32 0.13 0.00 -1.57 0.00 0.00 175.55 174.44 1ub5 s ALA 98 N -0.87 -0.90 -0.81 0.00 0.00 0.61 -2.67 121.76 117.12 1ub5 s ALA 98 Ca 0.14 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 52.95 1ub5 s ALA 98 Cb -0.12 -0.49 0.21 0.00 0.00 0.00 0.00 23.12 22.72 1ub5 s ALA 98 CO 0.03 -0.19 0.71 0.50 0.00 0.00 0.00 175.76 176.82 1ub5 s ARG 99 N -0.05 3.32 0.49 0.00 3.00 0.06 -0.84 118.95 124.94 1ub5 s ARG 99 Ca -0.02 -2.70 0.29 0.00 -1.00 0.00 0.00 55.73 52.30 1ub5 s ARG 99 Cb -0.03 -4.17 1.04 0.00 0.00 0.00 0.00 34.95 31.79 1ub5 s ARG 99 CO 0.01 -1.25 1.86 0.78 0.00 0.00 0.00 175.30 176.71 1ub5 h GLY 100 N 7.16 0.00 -2.49 8.12 0.00 -1.80 -1.95 103.07 112.11 1ub5 h GLY 100 Ca 0.09 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.91 1ub5 h GLY 100 CO 0.78 0.00 0.46 1.20 0.00 0.00 0.00 176.54 178.99 1ub5 s GLN 101 N -3.58 3.62 5.86 4.80 -0.21 -1.26 -4.22 119.66 124.67 1ub5 s GLN 101 Ca 0.02 1.71 0.00 0.00 0.02 0.00 0.00 55.36 57.11 1ub5 s GLN 101 Cb 0.09 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.83 1ub5 s GLN 101 CO 0.60 -0.65 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 1ub5 n GLY 102 N 0.34 1.25 3.44 3.09 0.00 -1.26 -4.04 105.19 108.02 1ub5 n GLY 102 Ca 0.09 0.39 -0.44 0.00 0.00 0.00 0.00 46.02 46.07 1ub5 n GLY 102 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ub5 s ARG 103 N 0.00 3.07 0.35 1.61 3.00 -1.26 -5.04 118.95 120.67 1ub5 s ARG 103 Ca 0.00 -0.97 -0.29 0.00 -1.00 0.00 0.00 55.73 53.47 1ub5 s ARG 103 Cb 0.00 -4.05 -0.11 0.00 0.00 0.00 0.00 34.95 30.79 1ub5 s ARG 103 CO 0.00 -1.01 1.49 -2.14 0.00 0.00 0.00 175.30 173.64 1ub5 s PRO 104 N 2.13 4.14 -0.01 5.12 0.02 -1.26 -4.89 135.00 140.25 1ub5 s PRO 104 Ca 0.10 2.53 0.05 0.00 0.02 0.00 0.00 61.00 63.70 1ub5 s PRO 104 Cb -0.20 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 1ub5 s PRO 104 CO 0.11 -0.52 -0.16 0.71 -0.33 0.00 0.00 177.00 176.81 1ub5 s TYR 105 N -0.81 1.42 0.10 6.54 2.02 -0.73 -5.00 117.35 120.89 1ub5 s TYR 105 Ca 0.55 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.87 1ub5 s TYR 105 Cb -0.46 -0.91 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1ub5 s TYR 105 CO 0.58 -0.02 0.25 1.67 -1.57 0.00 0.00 175.55 176.45 1ub5 s TRP 106 N -0.38 0.07 0.00 2.71 -2.14 -1.26 -0.76 118.94 117.18 1ub5 s TRP 106 Ca 0.06 -0.47 0.00 0.00 2.66 0.00 0.00 56.10 58.35 1ub5 s TRP 106 Cb -0.06 0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.33 1ub5 s TRP 106 CO -0.01 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.10 1ub5 n GLY 107 N -0.11 0.22 0.04 3.67 0.00 -1.09 -4.58 105.19 103.34 1ub5 n GLY 107 Ca -0.15 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.16 1ub5 n GLY 107 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ub5 n GLN 108 N -0.68 0.11 0.00 1.61 1.13 -1.26 -4.91 117.38 113.38 1ub5 n GLN 108 Ca 0.00 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1ub5 n GLN 108 Cb 0.00 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.74 1ub5 n GLN 108 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ub5 n GLY 109 N 1.43 -1.01 3.02 1.08 0.00 -1.26 -5.03 105.19 103.42 1ub5 n GLY 109 Ca 0.06 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 1ub5 n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ub5 s THR 110 N -3.11 0.97 -0.06 2.61 -1.32 -0.33 -4.82 115.64 109.58 1ub5 s THR 110 Ca 0.00 -0.43 -0.26 0.00 -1.21 0.00 0.00 61.69 59.79 1ub5 s THR 110 Cb 0.00 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 1ub5 s THR 110 CO 0.00 0.30 0.82 -0.22 -2.21 0.00 0.00 174.62 173.31 1ub5 s LEU 111 N 0.35 4.32 -0.18 9.08 2.96 -1.26 -0.53 118.68 133.42 1ub5 s LEU 111 Ca -0.07 1.36 0.01 0.00 -0.22 0.00 0.00 54.13 55.21 1ub5 s LEU 111 Cb -0.11 -3.28 0.02 0.00 0.50 0.00 0.00 46.19 43.32 1ub5 s LEU 111 CO 0.02 -0.21 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.96 1ub5 s VAL 112 N 1.06 2.01 -0.20 1.68 1.01 -0.45 0.16 120.40 125.66 1ub5 s VAL 112 Ca 0.43 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1ub5 s VAL 112 Cb -0.19 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1ub5 s VAL 112 CO 0.21 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.74 1ub5 s THR 113 N 1.30 2.45 -0.35 3.92 2.01 0.13 -1.89 115.64 123.20 1ub5 s THR 113 Ca 0.04 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 1ub5 s THR 113 Cb -0.14 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1ub5 s THR 113 CO -0.12 0.48 0.17 -0.69 -0.69 0.00 0.00 174.62 173.77 1ub5 s VAL 114 N 1.34 4.37 0.10 3.82 1.01 -1.25 0.56 120.40 130.35 1ub5 s VAL 114 Ca 0.05 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 1ub5 s VAL 114 Cb -0.14 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 32.93 1ub5 s VAL 114 CO -0.10 -0.14 1.07 -0.94 0.00 0.00 0.00 175.10 174.99 1ub5 s SER 115 N 1.53 -0.13 0.03 3.32 1.04 0.81 -4.57 113.70 115.74 1ub5 s SER 115 Ca 0.02 -0.33 0.22 0.00 0.48 0.00 0.00 55.95 56.33 1ub5 s SER 115 Cb -0.19 0.38 -0.25 0.00 0.10 0.00 0.00 66.02 66.06 1ub5 s SER 115 CO 0.05 -0.71 0.62 -1.54 0.98 0.00 0.00 173.24 172.64 1ub5 n SER 116 N -0.53 0.22 -4.24 7.02 3.41 -1.26 -3.78 113.62 114.46 1ub5 n SER 116 Ca -0.07 0.09 -0.34 0.00 -0.26 0.00 0.00 58.87 58.29 1ub5 n SER 116 Cb 0.61 1.58 0.10 0.00 -0.26 0.00 0.00 64.21 66.24 1ub5 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ub5 n ALA 117 N -2.25 -3.97 -2.80 7.33 0.00 -1.26 -4.99 120.51 112.57 1ub5 n ALA 117 Ca -0.03 -0.81 -0.32 0.00 0.00 0.00 0.00 53.44 52.28 1ub5 n ALA 117 Cb 0.58 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 1ub5 n ALA 117 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ub5 s LYS 118 N -3.00 3.04 -0.63 0.00 1.02 -1.26 -5.05 119.74 113.86 1ub5 s LYS 118 Ca 0.50 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 1ub5 s LYS 118 Cb -0.16 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1ub5 s LYS 118 CO 0.72 0.61 1.34 -0.08 -0.92 0.00 0.00 175.35 177.01 1ub5 s THR 119 N -1.32 3.80 -0.14 2.17 -1.32 -1.26 -4.73 115.64 112.84 1ub5 s THR 119 Ca 0.27 0.61 -0.05 0.00 -1.21 0.00 0.00 61.69 61.31 1ub5 s THR 119 Cb -0.12 -4.66 -0.04 0.00 -1.51 0.00 0.00 72.50 66.17 1ub5 s THR 119 CO 0.19 -1.45 0.05 -0.89 -2.21 0.00 0.00 174.62 170.32 1ub5 s THR 120 N 5.84 4.73 0.64 5.08 2.01 0.22 -4.92 115.64 129.24 1ub5 s THR 120 Ca 0.45 -0.07 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 1ub5 s THR 120 Cb -0.09 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 1ub5 s THR 120 CO 0.21 0.54 1.10 -2.16 -0.69 0.00 0.00 174.62 173.62 1ub5 s PRO 121 N -0.34 2.97 0.32 4.92 0.04 -1.26 -1.62 135.00 140.02 1ub5 s PRO 121 Ca 0.08 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.26 1ub5 s PRO 121 Cb -0.12 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1ub5 s PRO 121 CO 0.02 -1.11 0.83 -1.25 0.04 0.00 0.00 177.00 175.52 1ub5 s PRO 122 N -4.08 4.26 -0.24 0.56 0.04 -1.26 -4.22 135.00 130.06 1ub5 s PRO 122 Ca 0.66 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 1ub5 s PRO 122 Cb -0.19 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 1ub5 s PRO 122 CO 0.40 0.21 0.13 -1.12 0.04 0.00 0.00 177.00 176.66 1ub5 s SER 123 N -1.93 5.81 -0.21 6.66 0.01 -0.26 -4.95 113.70 118.83 1ub5 s SER 123 Ca 0.52 0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.76 1ub5 s SER 123 Cb -0.14 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1ub5 s SER 123 CO 0.19 0.05 -0.01 -0.69 0.41 0.00 0.00 173.24 173.19 1ub5 s VAL 124 N 1.12 3.77 -0.11 3.43 1.01 -1.26 -1.80 120.40 126.56 1ub5 s VAL 124 Ca 0.06 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1ub5 s VAL 124 Cb -0.14 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1ub5 s VAL 124 CO 0.04 0.41 -0.18 -0.31 0.00 0.00 0.00 175.10 175.07 1ub5 s TYR 125 N 1.27 2.70 0.46 5.22 2.02 0.24 -4.96 117.35 124.30 1ub5 s TYR 125 Ca 0.04 -0.77 -0.22 0.00 -0.37 0.00 0.00 57.07 55.75 1ub5 s TYR 125 Cb -0.15 -1.77 -0.08 0.00 -0.40 0.00 0.00 41.96 39.56 1ub5 s TYR 125 CO 0.00 -0.27 1.11 -1.25 -1.57 0.00 0.00 175.55 173.58 1ub5 s PRO 126 N 0.27 3.80 -0.43 -1.71 0.04 -1.26 -0.42 135.00 135.28 1ub5 s PRO 126 Ca -0.12 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1ub5 s PRO 126 Cb -0.16 -2.33 0.13 0.00 0.04 0.00 0.00 34.50 32.18 1ub5 s PRO 126 CO 0.07 -0.48 0.20 0.00 0.04 0.00 0.00 177.00 176.82 1ub5 s ALA 127 N -1.68 2.37 0.28 8.56 0.00 0.27 -4.83 121.76 126.73 1ub5 s ALA 127 Ca 0.64 -2.59 0.05 0.00 0.00 0.00 0.00 51.96 50.06 1ub5 s ALA 127 Cb -0.24 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1ub5 s ALA 127 CO 0.29 -1.96 -0.03 0.00 0.00 0.00 0.00 175.76 174.06 1ub5 s ALA 128 N 0.46 2.24 0.28 0.00 0.00 -1.26 -0.81 121.76 122.66 1ub5 s ALA 128 Ca 0.16 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.92 1ub5 s ALA 128 Cb -0.23 0.32 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 1ub5 s ALA 128 CO -0.04 -0.15 1.18 -1.25 0.00 0.00 0.00 175.76 175.50 1ub5 s PRO 129 N -3.78 4.53 0.00 0.00 0.04 -1.26 -5.02 135.00 129.50 1ub5 s PRO 129 Ca 0.30 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1ub5 s PRO 129 Cb 0.05 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1ub5 s PRO 129 CO 0.12 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1ub5 n GLY 130 N 1.28 1.32 3.67 0.56 0.00 -1.26 -5.04 105.19 105.71 1ub5 n GLY 130 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1ub5 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub5 n GLY 132 N 3.42 -1.61 3.54 0.00 0.00 -1.26 -5.06 105.19 104.21 1ub5 n GLY 132 Ca 0.12 1.09 -0.26 0.00 0.00 0.00 0.00 46.02 46.97 1ub5 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ub5 s ASP 133 N -2.28 2.91 -0.50 1.61 1.11 -1.26 -5.02 116.67 113.24 1ub5 s ASP 133 Ca 0.22 -1.65 -0.07 0.00 0.18 0.00 0.00 52.55 51.23 1ub5 s ASP 133 Cb -0.05 0.47 -0.17 0.00 1.07 0.00 0.00 42.92 44.23 1ub5 s ASP 133 CO 0.77 -0.90 3.32 0.41 1.18 0.00 0.00 175.17 179.94 1ub5 n THR 134 N -0.93 3.45 -1.56 -1.27 -1.04 -1.26 -4.88 114.28 106.79 1ub5 n THR 134 Ca -0.07 -2.05 -0.13 0.00 -2.04 0.00 0.00 64.05 59.75 1ub5 n THR 134 Cb 0.65 -2.10 -0.09 0.00 -1.82 0.00 0.00 70.33 66.97 1ub5 n THR 134 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ub5 n THR 135 N 2.53 0.00 -2.96 12.58 -1.04 -1.26 -4.72 114.28 119.41 1ub5 n THR 135 Ca 0.53 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1ub5 n THR 135 Cb 0.68 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1ub5 n THR 135 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ub5 n GLY 136 N 6.58 1.66 3.56 3.41 0.00 -1.26 -5.11 105.19 114.02 1ub5 n GLY 136 Ca 0.45 -0.82 -0.55 0.00 0.00 0.00 0.00 46.02 45.10 1ub5 n GLY 136 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ub5 n SER 137 N -0.32 0.99 -2.27 1.61 2.88 -1.26 -3.57 113.62 111.67 1ub5 n SER 137 Ca 0.00 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.65 1ub5 n SER 137 Cb 0.00 -1.08 -0.02 0.00 -0.75 0.00 0.00 64.21 62.36 1ub5 n SER 137 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ub5 n SER 138 N 2.19 -4.75 -4.29 -3.46 7.64 -1.23 -4.71 113.62 105.00 1ub5 n SER 138 Ca 0.19 1.38 -0.30 0.00 1.01 0.00 0.00 58.87 61.15 1ub5 n SER 138 Cb 0.14 -4.59 -0.16 0.00 -1.01 0.00 0.00 64.21 58.59 1ub5 n SER 138 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ub5 s VAL 139 N -0.53 1.94 -0.38 0.44 0.11 0.14 -4.82 120.40 117.30 1ub5 s VAL 139 Ca -0.12 -1.06 -0.16 0.00 -2.93 0.00 0.00 61.98 57.71 1ub5 s VAL 139 Cb 0.01 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 1ub5 s VAL 139 CO 0.31 0.54 0.40 -0.89 -3.33 0.00 0.00 175.10 172.13 1ub5 s THR 140 N -0.58 5.13 0.37 5.04 2.01 -1.26 -2.54 115.64 123.81 1ub5 s THR 140 Ca 0.09 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1ub5 s THR 140 Cb -0.09 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1ub5 s THR 140 CO -0.01 -0.26 0.26 -0.76 -0.69 0.00 0.00 174.62 173.16 1ub5 s LEU 141 N 2.07 3.37 0.01 4.42 1.43 0.06 -4.73 118.68 125.31 1ub5 s LEU 141 Ca 0.12 -0.73 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 1ub5 s LEU 141 Cb -0.17 -1.92 0.11 0.00 0.03 0.00 0.00 46.19 44.23 1ub5 s LEU 141 CO 0.13 -0.45 1.16 -0.83 0.23 0.00 0.00 176.35 176.59 1ub5 s GLY 142 N -3.98 -0.35 -0.06 -3.19 0.00 0.01 -0.30 107.32 99.45 1ub5 s GLY 142 Ca 0.42 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.83 1ub5 s GLY 142 CO 0.25 0.16 -0.05 0.00 0.00 0.00 0.00 173.10 173.46 1ub5 s LEU 144 N 1.14 4.12 -0.18 0.00 2.96 0.44 -1.69 118.68 125.47 1ub5 s LEU 144 Ca -0.07 0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1ub5 s LEU 144 Cb -0.14 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.21 1ub5 s LEU 144 CO -0.01 -0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.15 1ub5 s VAL 145 N 1.32 2.62 0.18 1.68 1.01 0.16 -0.59 120.40 126.79 1ub5 s VAL 145 Ca 0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1ub5 s VAL 145 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1ub5 s VAL 145 CO 0.07 0.50 0.21 -1.59 0.00 0.00 0.00 175.10 174.29 1ub5 s LYS 146 N 1.20 1.19 -0.81 2.72 -2.85 -0.75 0.33 119.74 120.77 1ub5 s LYS 146 Ca 0.02 -1.41 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 1ub5 s LYS 146 Cb -0.14 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1ub5 s LYS 146 CO -0.06 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.38 1ub5 n GLY 147 N -0.24 0.68 3.81 0.59 0.00 -0.89 -1.10 105.19 108.04 1ub5 n GLY 147 Ca -0.02 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 1ub5 n GLY 147 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ub5 s TYR 148 N -2.34 2.75 -0.29 1.61 1.13 -1.15 -4.53 117.35 114.53 1ub5 s TYR 148 Ca 0.00 -0.42 -0.20 0.00 -1.41 0.00 0.00 57.07 55.04 1ub5 s TYR 148 Cb 0.00 -1.89 0.18 0.00 -1.10 0.00 0.00 41.96 39.15 1ub5 s TYR 148 CO 0.00 0.14 1.21 0.12 -2.51 0.00 0.00 175.55 174.51 1ub5 s PHE 149 N -2.43 -0.24 0.82 -3.49 5.36 -0.64 -0.58 117.98 116.78 1ub5 s PHE 149 Ca 0.42 0.52 -0.14 0.00 -0.96 0.00 0.00 56.93 56.77 1ub5 s PHE 149 Cb -0.03 0.28 0.21 0.00 -0.34 0.00 0.00 43.02 43.14 1ub5 s PHE 149 CO 0.25 -0.12 0.61 -2.30 -1.46 0.00 0.00 175.22 172.20 1ub5 n PRO 150 N 2.71 -2.98 -0.13 10.12 -0.02 -1.26 -0.61 135.00 142.83 1ub5 n PRO 150 Ca -0.15 -0.99 -0.11 0.00 -2.02 0.00 0.00 63.50 60.22 1ub5 n PRO 150 Cb 0.57 -1.08 0.01 0.00 -0.02 0.00 0.00 33.50 32.98 1ub5 n PRO 150 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ub5 h GLU 151 N 0.00 0.93 -5.84 -0.52 4.81 -1.99 -3.45 114.58 108.52 1ub5 h GLU 151 Ca -0.25 -0.43 -0.66 0.00 -0.13 0.00 0.00 59.36 57.90 1ub5 h GLU 151 Cb 0.79 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1ub5 h GLU 151 CO 0.16 1.09 1.45 -0.35 -0.73 0.00 0.00 179.01 180.63 1ub5 n PRO 152 N -4.09 0.67 -3.76 0.92 -0.04 -1.26 -4.91 135.00 122.53 1ub5 n PRO 152 Ca -0.01 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1ub5 n PRO 152 Cb 0.49 -2.18 -0.11 0.00 -0.04 0.00 0.00 33.50 31.67 1ub5 n PRO 152 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ub5 s VAL 153 N 7.57 0.00 -0.10 0.52 0.11 -1.26 -4.50 120.40 122.74 1ub5 s VAL 153 Ca 1.15 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 60.20 1ub5 s VAL 153 Cb -1.02 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 1ub5 s VAL 153 CO 0.51 -0.01 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.21 1ub5 s THR 154 N 0.13 1.63 -0.22 5.04 2.01 0.33 -4.96 115.64 119.59 1ub5 s THR 154 Ca -0.00 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.19 1ub5 s THR 154 Cb -0.02 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1ub5 s THR 154 CO 0.01 0.46 0.04 -0.69 -0.69 0.00 0.00 174.62 173.75 1ub5 s VAL 155 N 0.73 4.26 -0.04 3.82 1.01 -1.26 -0.48 120.40 128.45 1ub5 s VAL 155 Ca -0.12 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1ub5 s VAL 155 Cb -0.16 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 1ub5 s VAL 155 CO 0.02 0.39 -0.16 0.42 0.00 0.00 0.00 175.10 175.77 1ub5 s THR 156 N 1.18 1.37 -0.44 3.92 -4.23 -0.09 -4.95 115.64 112.41 1ub5 s THR 156 Ca 0.04 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.77 1ub5 s THR 156 Cb -0.14 -1.18 0.10 0.00 1.34 0.00 0.00 72.50 72.61 1ub5 s THR 156 CO 0.03 0.40 0.30 0.26 -0.54 0.00 0.00 174.62 175.06 1ub5 s TRP 157 N 0.04 3.39 -0.46 3.99 0.52 -1.26 0.23 118.94 125.39 1ub5 s TRP 157 Ca -0.04 -1.74 0.00 0.00 0.02 0.00 0.00 56.10 54.34 1ub5 s TRP 157 Cb -0.11 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 28.98 1ub5 s TRP 157 CO 0.02 -0.92 0.00 0.09 0.02 0.00 0.00 176.95 176.16 1ub5 n ASN 158 N 4.89 -2.12 0.00 2.95 3.02 -1.13 -2.31 115.26 120.57 1ub5 n ASN 158 Ca -0.09 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1ub5 n ASN 158 Cb 0.42 -1.90 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 1ub5 n ASN 158 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ub5 n SER 159 N 0.73 0.00 -3.63 6.41 7.64 -1.26 -4.77 113.62 118.74 1ub5 n SER 159 Ca -0.04 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 1ub5 n SER 159 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1ub5 n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ub5 n GLY 160 N 0.00 5.17 3.29 0.23 0.00 -0.98 -4.93 105.19 107.98 1ub5 n GLY 160 Ca 0.00 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 1ub5 n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ub5 s GLY 161 N 0.22 1.60 -0.00 -0.02 0.00 -1.22 -4.93 107.32 102.97 1ub5 s GLY 161 Ca 0.47 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1ub5 s GLY 161 CO -0.06 0.42 0.07 -1.26 0.00 0.00 0.00 173.10 172.28 1ub5 n SER 164 N 4.78 3.55 -1.69 1.64 2.88 -1.26 -4.61 113.62 118.92 1ub5 n SER 164 Ca -0.18 -0.11 -0.15 0.00 -1.33 0.00 0.00 58.87 57.10 1ub5 n SER 164 Cb 0.51 1.10 0.17 0.00 -0.75 0.00 0.00 64.21 65.24 1ub5 n SER 164 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ub5 n SER 165 N -1.50 3.49 -4.85 -3.46 2.88 -1.26 -5.01 113.62 103.92 1ub5 n SER 165 Ca -0.00 -3.73 -0.34 0.00 -1.33 0.00 0.00 58.87 53.46 1ub5 n SER 165 Cb 0.07 -0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 62.75 1ub5 n SER 165 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1ub5 s VAL 166 N -3.49 4.82 -0.34 2.46 -7.23 -1.26 -3.07 120.40 112.30 1ub5 s VAL 166 Ca 0.51 0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 61.46 1ub5 s VAL 166 Cb 0.44 -3.70 0.11 0.00 0.56 0.00 0.00 36.38 33.80 1ub5 s VAL 166 CO 0.04 0.09 0.15 -1.00 -0.31 0.00 0.00 175.10 174.07 1ub5 s HIS 167 N -1.64 1.17 -0.34 2.82 3.76 0.56 -4.98 115.29 116.63 1ub5 s HIS 167 Ca 0.43 -1.60 -0.15 0.00 -0.15 0.00 0.00 55.06 53.59 1ub5 s HIS 167 Cb -0.13 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 1ub5 s HIS 167 CO 0.20 -0.84 0.37 0.99 -0.85 0.00 0.00 174.74 174.60 1ub5 s THR 168 N 1.42 5.16 0.32 1.30 2.01 -1.26 -1.48 115.64 123.11 1ub5 s THR 168 Ca 0.13 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 1ub5 s THR 168 Cb -0.19 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1ub5 s THR 168 CO -0.18 -0.10 0.82 -0.36 -0.69 0.00 0.00 174.62 174.11 1ub5 s PHE 169 N 2.03 3.50 0.22 4.92 0.08 -0.90 -5.01 117.98 122.82 1ub5 s PHE 169 Ca 0.12 1.47 -0.31 0.00 0.12 0.00 0.00 56.93 58.33 1ub5 s PHE 169 Cb -0.17 -2.71 -0.14 0.00 -0.57 0.00 0.00 43.02 39.43 1ub5 s PHE 169 CO 0.12 0.14 1.26 -2.30 -0.10 0.00 0.00 175.22 174.34 1ub5 n PRO 170 N 0.08 1.62 -2.25 0.24 -0.02 -1.26 -4.46 135.00 128.95 1ub5 n PRO 170 Ca 0.02 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.72 1ub5 n PRO 170 Cb 0.52 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1ub5 n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ub5 s ALA 171 N -0.28 2.84 -0.05 3.55 0.00 -1.26 -4.81 121.76 121.75 1ub5 s ALA 171 Ca 0.68 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.59 1ub5 s ALA 171 Cb -0.73 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.01 1ub5 s ALA 171 CO 0.52 -0.73 -0.21 -0.51 0.00 0.00 0.00 175.76 174.83 1ub5 s LEU 172 N -3.40 2.00 0.08 0.00 1.43 0.75 -4.89 118.68 114.65 1ub5 s LEU 172 Ca 0.68 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 1ub5 s LEU 172 Cb -0.27 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 1ub5 s LEU 172 CO 0.31 0.20 1.06 -0.22 0.23 0.00 0.00 176.35 177.94 1ub5 s LEU 173 N -0.09 4.43 -0.21 1.79 2.96 -1.26 -0.85 118.68 125.44 1ub5 s LEU 173 Ca -0.03 1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 55.72 1ub5 s LEU 173 Cb -0.12 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.05 1ub5 s LEU 173 CO 0.03 -0.26 0.09 -1.58 -1.32 0.00 0.00 176.35 173.31 1ub5 s GLN 174 N 0.47 0.19 -1.75 1.98 0.74 0.36 -4.85 119.66 116.80 1ub5 s GLN 174 Ca 0.52 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.65 1ub5 s GLN 174 Cb -0.26 -1.70 0.00 0.00 1.10 0.00 0.00 33.01 32.15 1ub5 s GLN 174 CO 0.30 -0.77 0.00 0.43 -0.55 0.00 0.00 175.29 174.71 1ub5 n SER 175 N 5.23 -5.50 0.00 6.67 7.64 -1.26 -1.64 113.62 124.76 1ub5 n SER 175 Ca -0.07 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1ub5 n SER 175 Cb 0.47 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 1ub5 n SER 175 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ub5 n GLY 176 N -0.86 0.26 3.27 0.23 0.00 -1.26 -5.07 105.19 101.76 1ub5 n GLY 176 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1ub5 n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub5 s LEU 177 N 0.00 2.22 0.29 0.99 1.43 -0.65 -4.91 118.68 118.05 1ub5 s LEU 177 Ca 0.00 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1ub5 s LEU 177 Cb 0.00 -0.96 -0.07 0.00 0.03 0.00 0.00 46.19 45.19 1ub5 s LEU 177 CO 0.00 0.13 0.64 -0.31 0.23 0.00 0.00 176.35 177.04 1ub5 s TYR 178 N -0.93 3.42 -0.06 0.29 2.02 0.25 0.13 117.35 122.48 1ub5 s TYR 178 Ca 0.07 0.97 -0.05 0.00 -0.37 0.00 0.00 57.07 57.69 1ub5 s TYR 178 Cb -0.09 -2.35 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 1ub5 s TYR 178 CO 0.03 0.15 0.15 0.99 -1.57 0.00 0.00 175.55 175.29 1ub5 s THR 179 N -1.99 -0.01 0.09 -0.71 2.01 -0.03 -2.09 115.64 112.91 1ub5 s THR 179 Ca 0.49 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 1ub5 s THR 179 Cb -0.11 -0.23 0.05 0.00 0.01 0.00 0.00 72.50 72.23 1ub5 s THR 179 CO 0.23 0.02 0.52 0.00 -0.69 0.00 0.00 174.62 174.70 1ub5 s MET 180 N 0.37 1.11 0.22 4.92 0.23 0.15 -0.18 119.30 126.12 1ub5 s MET 180 Ca -0.02 -0.39 0.06 0.00 -1.03 0.00 0.00 55.69 54.31 1ub5 s MET 180 Cb -0.04 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 1ub5 s MET 180 CO -0.02 -0.43 -0.10 -1.54 -2.03 0.00 0.00 175.02 170.91 1ub5 s SER 181 N -2.35 2.37 -0.03 -1.18 1.04 -1.26 0.38 113.70 112.66 1ub5 s SER 181 Ca -0.02 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.31 1ub5 s SER 181 Cb -0.00 -0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.05 1ub5 s SER 181 CO -0.07 -0.29 0.06 -0.55 0.98 0.00 0.00 173.24 173.37 1ub5 s SER 182 N -3.32 0.13 0.13 7.02 0.15 -0.68 -2.13 113.70 114.99 1ub5 s SER 182 Ca 0.24 0.11 0.07 0.00 0.70 0.00 0.00 55.95 57.07 1ub5 s SER 182 Cb 0.02 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 1ub5 s SER 182 CO 0.07 -0.15 -0.08 -0.94 1.20 0.00 0.00 173.24 173.35 1ub5 s SER 183 N 1.21 4.49 0.05 5.45 1.04 -0.55 -1.20 113.70 124.20 1ub5 s SER 183 Ca -0.08 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1ub5 s SER 183 Cb -0.13 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.09 1ub5 s SER 183 CO -0.04 0.15 -0.07 0.54 0.98 0.00 0.00 173.24 174.81 1ub5 s VAL 184 N -1.38 0.51 -0.04 5.02 0.11 0.59 -0.32 120.40 124.88 1ub5 s VAL 184 Ca 0.23 -1.28 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 1ub5 s VAL 184 Cb -0.10 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1ub5 s VAL 184 CO 0.15 -0.53 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.37 1ub5 s THR 185 N -2.00 1.09 -0.01 5.04 2.01 -1.18 -0.76 115.64 119.84 1ub5 s THR 185 Ca -0.05 -0.52 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 1ub5 s THR 185 Cb -0.06 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1ub5 s THR 185 CO -0.01 0.33 0.36 0.68 -0.69 0.00 0.00 174.62 175.29 1ub5 s VAL 186 N 0.21 0.05 0.29 3.82 -7.23 -1.05 -4.72 120.40 111.77 1ub5 s VAL 186 Ca -0.05 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 1ub5 s VAL 186 Cb -0.11 -0.73 -0.10 0.00 0.56 0.00 0.00 36.38 36.00 1ub5 s VAL 186 CO 0.02 -0.24 1.29 -2.16 -0.31 0.00 0.00 175.10 173.70 1ub5 s PRO 187 N -1.56 4.39 0.56 4.82 0.04 -1.26 0.26 135.00 142.25 1ub5 s PRO 187 Ca -0.12 2.14 0.28 0.00 0.04 0.00 0.00 61.00 63.34 1ub5 s PRO 187 Cb -0.04 -3.12 1.48 0.00 0.04 0.00 0.00 34.50 32.86 1ub5 s PRO 187 CO 0.03 -0.18 1.96 1.03 0.04 0.00 0.00 177.00 179.89 1ub5 h SER 188 N 4.06 0.00 0.00 6.66 0.87 -1.84 -0.12 113.55 123.17 1ub5 h SER 188 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1ub5 h SER 188 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1ub5 h SER 188 CO 0.70 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.80 1ub5 n SER 189 N -4.03 0.00 0.00 6.23 7.64 -1.26 -2.12 113.62 120.08 1ub5 n SER 189 Ca 0.09 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1ub5 n SER 189 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1ub5 n SER 189 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ub5 n THR 190 N -0.74 0.00 -0.13 0.44 5.66 -0.07 -4.90 114.28 114.54 1ub5 n THR 190 Ca 0.04 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.97 1ub5 n THR 190 Cb 0.02 0.98 0.01 0.00 -1.55 0.00 0.00 70.33 69.79 1ub5 n THR 190 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 1ub5 h TRP 191 N 0.00 0.48 0.00 1.09 7.01 -1.32 -3.02 115.95 120.19 1ub5 h TRP 191 Ca 0.00 0.01 -0.58 0.00 2.11 0.00 0.00 58.89 60.43 1ub5 h TRP 191 Cb 0.85 -0.16 0.01 0.00 -2.10 0.00 0.00 29.16 27.77 1ub5 h TRP 191 CO 0.00 0.29 3.09 -0.35 -2.79 0.00 0.00 178.44 178.67 1ub5 n PRO 192 N -4.84 3.38 -0.07 2.65 -0.04 -1.26 -3.64 135.00 131.17 1ub5 n PRO 192 Ca 0.01 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1ub5 n PRO 192 Cb 0.05 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1ub5 n PRO 192 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ub5 n SER 193 N 3.40 0.20 -1.28 3.54 7.64 -1.14 -5.10 113.62 120.88 1ub5 n SER 193 Ca 0.72 -1.26 -0.00 0.00 1.01 0.00 0.00 58.87 59.33 1ub5 n SER 193 Cb 0.35 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1ub5 n SER 193 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ub5 n THR 195 N -0.06 -2.83 -3.98 0.44 -1.04 -1.24 -5.05 114.28 100.51 1ub5 n THR 195 Ca 0.00 0.10 -0.34 0.00 -2.04 0.00 0.00 64.05 61.77 1ub5 n THR 195 Cb 0.51 -3.34 -0.14 0.00 -1.82 0.00 0.00 70.33 65.54 1ub5 n THR 195 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ub5 s VAL 196 N -0.02 2.74 -0.05 12.58 1.01 -1.26 -5.06 120.40 130.34 1ub5 s VAL 196 Ca -0.00 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 60.90 1ub5 s VAL 196 Cb 0.00 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1ub5 s VAL 196 CO 0.01 0.17 -0.21 -0.89 0.00 0.00 0.00 175.10 174.19 1ub5 s THR 197 N 1.29 1.69 -0.18 3.92 2.01 -1.26 -1.64 115.64 121.46 1ub5 s THR 197 Ca -0.01 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 1ub5 s THR 197 Cb -0.17 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1ub5 s THR 197 CO -0.05 0.48 0.04 0.00 -0.69 0.00 0.00 174.62 174.40 1ub5 s SER 199 N 0.50 5.05 -0.30 0.00 0.15 0.14 -1.56 113.70 117.69 1ub5 s SER 199 Ca 0.02 -0.86 -0.12 0.00 0.70 0.00 0.00 55.95 55.69 1ub5 s SER 199 Cb -0.13 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1ub5 s SER 199 CO 0.01 -0.22 0.22 -0.69 1.20 0.00 0.00 173.24 173.76 1ub5 s VAL 200 N 1.44 5.29 -0.12 4.45 1.01 0.12 -0.91 120.40 131.67 1ub5 s VAL 200 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1ub5 s VAL 200 Cb -0.18 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1ub5 s VAL 200 CO 0.01 0.17 -0.08 0.00 0.00 0.00 0.00 175.10 175.21 1ub5 s ALA 201 N 1.78 2.86 -0.48 5.51 0.00 0.37 0.07 121.76 131.87 1ub5 s ALA 201 Ca 0.08 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1ub5 s ALA 201 Cb -0.16 -1.35 0.18 0.00 0.00 0.00 0.00 23.12 21.79 1ub5 s ALA 201 CO 0.11 0.32 0.41 1.58 0.00 0.00 0.00 175.76 178.17 1ub5 n HIS 202 N 3.20 0.19 -0.22 0.00 -0.00 0.52 -0.52 115.22 118.39 1ub5 n HIS 202 Ca -0.18 -3.58 0.31 0.00 -0.00 0.00 0.00 57.72 54.27 1ub5 n HIS 202 Cb 0.53 -0.02 0.73 0.00 -0.00 0.00 0.00 29.99 31.22 1ub5 n HIS 202 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ub5 h PRO 203 N 5.35 0.00 -0.72 1.57 0.13 -1.79 -0.28 132.00 136.26 1ub5 h PRO 203 Ca 0.22 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.46 1ub5 h PRO 203 Cb 0.86 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.95 1ub5 h PRO 203 CO 0.47 0.00 0.47 0.00 -0.23 0.00 0.00 178.00 178.72 1ub5 h ALA 204 N 1.42 1.91 -0.24 -0.56 0.00 -1.93 -1.41 119.26 118.44 1ub5 h ALA 204 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ub5 h ALA 204 Cb 1.98 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1ub5 h ALA 204 CO -0.00 -0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 1ub5 n SER 205 N -4.49 2.73 -3.16 0.00 3.41 -0.18 -4.96 113.62 106.97 1ub5 n SER 205 Ca 0.12 -2.09 -0.22 0.00 -0.26 0.00 0.00 58.87 56.42 1ub5 n SER 205 Cb 0.38 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1ub5 n SER 205 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ub5 n SER 206 N 0.14 -4.80 -4.44 4.04 7.64 -0.53 -4.96 113.62 110.71 1ub5 n SER 206 Ca 0.09 -0.31 -0.31 0.00 1.01 0.00 0.00 58.87 59.35 1ub5 n SER 206 Cb 0.41 -3.92 -0.13 0.00 -1.01 0.00 0.00 64.21 59.56 1ub5 n SER 206 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ub5 s THR 207 N -3.02 2.78 -0.06 0.44 2.01 -1.07 -4.99 115.64 111.72 1ub5 s THR 207 Ca 0.33 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 1ub5 s THR 207 Cb -0.16 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1ub5 s THR 207 CO 0.41 0.47 0.03 -0.89 -0.69 0.00 0.00 174.62 173.95 1ub5 s THR 208 N -0.81 0.12 -0.13 -0.82 2.01 -1.26 -0.36 115.64 114.39 1ub5 s THR 208 Ca 0.13 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1ub5 s THR 208 Cb -0.10 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 1ub5 s THR 208 CO 0.03 0.20 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.31 1ub5 s VAL 209 N 2.08 2.72 -0.19 3.82 1.01 0.11 -4.95 120.40 125.00 1ub5 s VAL 209 Ca 0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ub5 s VAL 209 Cb -0.12 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1ub5 s VAL 209 CO -0.04 0.53 -0.08 -1.81 0.00 0.00 0.00 175.10 173.69 1ub5 s ASP 210 N 0.54 4.15 -0.21 3.32 1.01 -1.26 0.10 116.67 124.32 1ub5 s ASP 210 Ca -0.10 -0.38 0.02 0.00 0.71 0.00 0.00 52.55 52.80 1ub5 s ASP 210 Cb -0.16 -1.68 0.03 0.00 1.01 0.00 0.00 42.92 42.12 1ub5 s ASP 210 CO 0.04 0.05 -0.17 -0.75 0.21 0.00 0.00 175.17 174.55 1ub5 s LYS 211 N 1.06 2.71 -0.34 8.23 2.47 -0.60 -4.99 119.74 128.28 1ub5 s LYS 211 Ca 0.00 -1.02 -0.20 0.00 -1.56 0.00 0.00 55.97 53.19 1ub5 s LYS 211 Cb -0.15 -2.69 -0.00 0.00 -1.46 0.00 0.00 37.83 33.54 1ub5 s LYS 211 CO -0.01 -0.34 0.63 0.21 0.16 0.00 0.00 175.35 175.99 1ub5 s LYS 212 N 1.22 3.73 -0.14 4.03 2.20 -1.26 -2.03 119.74 127.49 1ub5 s LYS 212 Ca -0.00 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.42 1ub5 s LYS 212 Cb -0.16 -3.79 -0.06 0.00 -1.51 0.00 0.00 37.83 32.31 1ub5 s LYS 212 CO -0.10 -0.69 2.06 -0.51 -0.36 0.00 0.00 175.35 175.75 1ub5 s LEU 213 N 2.67 3.81 0.00 5.43 1.43 -0.65 -5.02 118.68 126.35 1ub5 s LEU 213 Ca 0.24 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1ub5 s LEU 213 Cb -0.15 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1ub5 s LEU 213 CO 0.14 -1.59 0.00 -0.62 0.23 0.00 0.00 176.35 174.51