#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 0.32 -0.05 3.84 1.01 -1.25 -3.81 120.40 120.47 1ub5 s VAL 2 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1ub5 s VAL 2 Cb 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 35.93 1ub5 s VAL 2 CO 0.00 0.19 0.77 -1.59 0.00 0.00 0.00 175.10 174.48 1ub5 s LYS 3 N 1.99 0.94 -0.01 2.72 -2.85 -0.91 -4.99 119.74 116.64 1ub5 s LYS 3 Ca 0.04 0.08 0.04 0.00 -1.00 0.00 0.00 55.97 55.13 1ub5 s LYS 3 Cb -0.13 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1ub5 s LYS 3 CO -0.05 -0.33 -0.12 -0.51 0.10 0.00 0.00 175.35 174.44 1ub5 s LEU 4 N -1.50 2.86 -0.17 2.77 1.43 -1.26 -1.88 118.68 120.93 1ub5 s LEU 4 Ca -0.05 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1ub5 s LEU 4 Cb -0.00 -1.64 0.05 0.00 0.03 0.00 0.00 46.19 44.63 1ub5 s LEU 4 CO 0.03 0.30 0.01 -0.22 0.23 0.00 0.00 176.35 176.70 1ub5 s LEU 5 N -1.14 1.21 0.28 1.79 2.96 -0.10 -4.13 118.68 119.55 1ub5 s LEU 5 Ca 0.14 -0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 1ub5 s LEU 5 Cb -0.11 -0.65 -0.07 0.00 0.50 0.00 0.00 46.19 45.86 1ub5 s LEU 5 CO 0.04 -0.26 0.62 -1.61 -1.32 0.00 0.00 176.35 173.82 1ub5 s GLU 6 N 1.81 3.81 0.26 1.98 8.01 -1.26 -2.29 118.70 131.03 1ub5 s GLU 6 Ca 0.00 0.34 -0.16 0.00 0.01 0.00 0.00 54.97 55.16 1ub5 s GLU 6 Cb -0.16 -2.57 0.01 0.00 -4.31 0.00 0.00 34.13 27.10 1ub5 s GLU 6 CO -0.07 0.22 0.57 -1.54 0.01 0.00 0.00 175.26 174.45 1ub5 s SER 7 N -2.57 -0.16 0.00 -0.19 1.04 -0.65 -4.70 113.70 106.46 1ub5 s SER 7 Ca 0.49 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1ub5 s SER 7 Cb -0.11 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1ub5 s SER 7 CO 0.23 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1ub5 n GLY 8 N -0.41 0.34 3.74 7.32 0.00 -1.26 -1.54 105.19 113.38 1ub5 n GLY 8 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.90 1.60 0.00 -0.02 0.00 -1.26 -4.72 107.32 101.02 1ub5 s GLY 9 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1ub5 s GLY 9 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.97 1ub5 n GLY 10 N -1.53 -0.97 3.75 0.20 0.00 -0.02 -4.90 105.19 101.72 1ub5 n GLY 10 Ca 0.06 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 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 4.46 0.01 0.99 1.02 -1.26 -1.55 118.68 122.34 1ub5 s LEU 11 Ca 0.00 1.42 0.00 0.00 0.02 0.00 0.00 54.13 55.57 1ub5 s LEU 11 Cb 0.00 -3.19 -0.01 0.00 0.02 0.00 0.00 46.19 43.01 1ub5 s LEU 11 CO 0.00 0.04 -0.01 -0.69 0.02 0.00 0.00 176.35 175.71 1ub5 s VAL 12 N -0.16 0.04 0.39 -1.59 1.01 0.40 -4.96 120.40 115.52 1ub5 s VAL 12 Ca 0.37 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1ub5 s VAL 12 Cb -0.20 -0.09 -0.10 0.00 0.00 0.00 0.00 36.38 35.99 1ub5 s VAL 12 CO 0.22 -0.14 0.98 -0.54 0.00 0.00 0.00 175.10 175.62 1ub5 s LYS 13 N -0.41 4.32 0.26 2.72 -0.14 -1.26 -1.47 119.74 123.76 1ub5 s LYS 13 Ca -0.04 1.30 -0.30 0.00 -1.36 0.00 0.00 55.97 55.57 1ub5 s LYS 13 Cb -0.03 -2.48 -0.14 0.00 -1.68 0.00 0.00 37.83 33.50 1ub5 s LYS 13 CO -0.00 0.03 1.27 -2.30 -0.76 0.00 0.00 175.35 173.59 1ub5 n PRO 14 N -0.09 1.80 -0.01 -1.68 -0.02 -1.26 -0.57 135.00 133.17 1ub5 n PRO 14 Ca 0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1ub5 n PRO 14 Cb 0.51 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 1.66 1.81 2.55 -1.23 0.00 0.23 -4.93 105.19 105.28 1ub5 n GLY 15 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.94 3.35 -0.02 0.00 0.27 -3.86 105.19 101.98 1ub5 n GLY 16 Ca 0.00 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.10 2.39 -0.14 1.61 1.04 -1.26 -1.43 113.70 111.82 1ub5 s SER 17 Ca 0.48 -1.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.54 1ub5 s SER 17 Cb -0.02 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1ub5 s SER 17 CO 0.34 -0.28 0.72 -0.22 0.98 0.00 0.00 173.24 174.77 1ub5 s LEU 18 N -3.32 -0.67 -0.19 2.42 2.96 -0.75 -5.00 118.68 114.13 1ub5 s LEU 18 Ca 0.24 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1ub5 s LEU 18 Cb 0.02 2.47 0.03 0.00 0.50 0.00 0.00 46.19 49.20 1ub5 s LEU 18 CO 0.07 -0.46 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.71 1ub5 s LYS 19 N -0.61 2.76 0.22 1.98 2.20 -1.26 0.31 119.74 125.34 1ub5 s LYS 19 Ca -0.06 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.65 1ub5 s LYS 19 Cb -0.02 -2.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.71 1ub5 s LYS 19 CO 0.06 -0.27 0.45 -0.51 -0.36 0.00 0.00 175.35 174.72 1ub5 s LEU 20 N 1.30 4.18 0.17 5.43 1.43 -0.05 -4.69 118.68 126.45 1ub5 s LEU 20 Ca 0.03 0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1ub5 s LEU 20 Cb -0.14 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1ub5 s LEU 20 CO -0.11 -0.08 -0.07 -0.94 0.23 0.00 0.00 176.35 175.38 1ub5 s SER 21 N -2.98 1.76 -0.11 2.29 1.04 -0.59 -1.57 113.70 113.53 1ub5 s SER 21 Ca 0.41 -1.07 -0.05 0.00 0.48 0.00 0.00 55.95 55.72 1ub5 s SER 21 Cb -0.11 0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.06 1ub5 s SER 21 CO 0.28 -0.39 0.26 0.00 0.98 0.00 0.00 173.24 174.37 1ub5 s THR 23 N 1.49 1.85 0.17 0.00 -4.23 -0.97 -0.42 115.64 113.54 1ub5 s THR 23 Ca -0.07 -2.14 -0.17 0.00 -1.18 0.00 0.00 61.69 58.12 1ub5 s THR 23 Cb -0.11 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.21 1ub5 s THR 23 CO -0.09 -0.24 0.49 0.00 -0.54 0.00 0.00 174.62 174.24 1ub5 s ALA 24 N -2.87 -0.99 -0.11 3.99 0.00 -1.26 -0.93 121.76 119.59 1ub5 s ALA 24 Ca 0.31 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1ub5 s ALA 24 Cb 0.04 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1ub5 s ALA 24 CO 0.14 -0.75 -0.17 -1.54 0.00 0.00 0.00 175.76 173.44 1ub5 s SER 25 N -2.84 2.56 0.00 0.00 1.04 -0.79 -4.71 113.70 108.96 1ub5 s SER 25 Ca 0.06 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1ub5 s SER 25 Cb 0.00 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.96 1ub5 s SER 25 CO -0.07 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1ub5 n GLY 26 N 4.06 0.87 3.07 7.32 0.00 -1.25 -2.14 105.19 117.12 1ub5 n GLY 26 Ca -0.20 0.00 -0.28 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 -2.40 1.47 -0.69 -0.61 1.01 -1.26 -4.98 121.20 113.73 1ub5 s ILE 27 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 1ub5 s ILE 27 Cb 0.00 -1.32 0.17 0.00 0.01 0.00 0.00 42.46 41.31 1ub5 s ILE 27 CO 0.00 0.43 0.67 -0.89 0.00 0.00 0.00 174.94 175.15 1ub5 s THR 28 N 0.77 5.33 0.35 2.92 2.01 -1.26 -4.82 115.64 120.94 1ub5 s THR 28 Ca -0.11 -1.89 0.16 0.00 0.31 0.00 0.00 61.69 60.16 1ub5 s THR 28 Cb -0.16 -4.43 0.34 0.00 0.01 0.00 0.00 72.50 68.25 1ub5 s THR 28 CO 0.02 -1.00 1.65 -0.26 -0.69 0.00 0.00 174.62 174.34 1ub5 h PHE 29 N 8.42 0.90 -0.06 4.92 0.05 -1.94 -1.27 116.94 127.96 1ub5 h PHE 29 Ca -0.10 0.04 0.02 0.00 3.82 0.00 0.00 57.97 61.75 1ub5 h PHE 29 Cb 1.07 -0.23 -0.00 0.00 2.00 0.00 0.00 35.95 38.78 1ub5 h PHE 29 CO 0.90 -0.23 0.14 0.66 -0.18 0.00 0.00 178.31 179.60 1ub5 h SER 30 N 0.26 0.00 0.65 2.17 4.64 -1.93 -2.38 113.55 116.96 1ub5 h SER 30 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1ub5 h SER 30 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1ub5 h SER 30 CO -0.63 0.00 -0.43 0.54 -0.87 0.00 0.00 176.83 175.44 1ub5 n ARG 32 N -3.36 0.05 -4.58 4.77 1.74 -0.48 -4.60 116.66 110.19 1ub5 n ARG 32 Ca -0.01 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.82 1ub5 n ARG 32 Cb 0.23 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 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 -3.03 2.13 -0.47 -1.55 1.51 -0.90 -4.79 117.35 110.26 1ub5 s TYR 34 Ca 0.11 -0.89 -0.24 0.00 -1.01 0.00 0.00 57.07 55.03 1ub5 s TYR 34 Cb 0.17 -1.51 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1ub5 s TYR 34 CO 0.67 0.17 0.86 0.42 -1.11 0.00 0.00 175.55 176.56 1ub5 s ILE 35 N -2.99 4.55 0.01 2.71 1.01 -1.26 -3.29 121.20 121.93 1ub5 s ILE 35 Ca 0.28 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.39 1ub5 s ILE 35 Cb 0.07 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1ub5 s ILE 35 CO 0.14 -0.82 0.23 -0.04 0.00 0.00 0.00 174.94 174.44 1ub5 s MET 36 N 3.55 3.50 0.21 2.79 -1.94 -0.30 -4.19 119.30 122.92 1ub5 s MET 36 Ca 0.32 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 54.09 1ub5 s MET 36 Cb -0.12 -3.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.61 1ub5 s MET 36 CO 0.23 0.65 0.07 -1.12 -0.01 0.00 0.00 175.02 174.85 1ub5 s SER 37 N -1.90 0.86 -0.03 3.03 0.01 -0.11 -0.70 113.70 114.86 1ub5 s SER 37 Ca 0.28 -1.30 0.04 0.00 1.31 0.00 0.00 55.95 56.28 1ub5 s SER 37 Cb -0.13 0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.31 1ub5 s SER 37 CO 0.18 -0.71 -0.15 0.26 0.41 0.00 0.00 173.24 173.23 1ub5 s TRP 38 N -3.85 1.47 0.08 2.43 0.52 0.86 -0.52 118.94 119.92 1ub5 s TRP 38 Ca 0.32 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 56.08 1ub5 s TRP 38 Cb 0.07 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.36 1ub5 s TRP 38 CO 0.09 -0.11 -0.05 0.08 0.02 0.00 0.00 176.95 176.98 1ub5 s VAL 39 N -0.06 0.49 0.02 4.03 1.01 -0.06 -1.24 120.40 124.59 1ub5 s VAL 39 Ca -0.00 -1.83 0.01 0.00 0.00 0.00 0.00 61.98 60.15 1ub5 s VAL 39 Cb -0.09 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1ub5 s VAL 39 CO 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 175.10 174.18 1ub5 s ARG 40 N -3.73 0.31 -0.27 2.72 1.70 0.41 0.36 118.95 120.46 1ub5 s ARG 40 Ca 0.09 -0.48 -0.03 0.00 -0.47 0.00 0.00 55.73 54.84 1ub5 s ARG 40 Cb 0.05 -0.05 0.03 0.00 -0.57 0.00 0.00 34.95 34.41 1ub5 s ARG 40 CO -0.07 -0.00 -0.02 -1.14 -1.08 0.00 0.00 175.30 172.99 1ub5 s GLN 41 N -1.07 2.82 0.56 3.89 0.74 0.15 -0.97 119.66 125.78 1ub5 s GLN 41 Ca -0.10 -1.00 0.10 0.00 0.05 0.00 0.00 55.36 54.41 1ub5 s GLN 41 Cb -0.07 -3.09 0.08 0.00 1.10 0.00 0.00 33.01 31.03 1ub5 s GLN 41 CO -0.00 -0.44 0.77 0.96 -0.55 0.00 0.00 175.29 176.02 1ub5 s ILE 42 N 1.35 2.23 0.33 -2.34 -4.36 -1.26 -1.35 121.20 115.79 1ub5 s ILE 42 Ca -0.00 -1.00 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 41.63 1ub5 s ILE 42 CO -0.03 0.00 1.64 -0.65 0.24 0.00 0.00 174.94 176.15 1ub5 h PRO 43 N 0.23 0.23 -0.81 0.37 0.11 -1.97 0.66 132.00 130.82 1ub5 h PRO 43 Ca -0.31 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.02 1ub5 h PRO 43 Cb 1.29 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1ub5 h PRO 43 CO 0.41 0.15 0.65 1.05 -0.21 0.00 0.00 178.00 180.05 1ub5 h GLU 44 N 0.24 0.00 -0.06 1.05 4.11 -2.01 -3.44 114.58 114.47 1ub5 h GLU 44 Ca 0.68 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 60.09 1ub5 h GLU 44 Cb 1.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1ub5 h GLU 44 CO -0.66 0.00 -0.02 1.17 0.07 0.00 0.00 179.01 179.57 1ub5 n LYS 45 N -4.06 -0.18 -3.82 1.06 3.00 0.23 -5.02 118.16 109.37 1ub5 n LYS 45 Ca 0.17 0.34 -0.36 0.00 -0.00 0.00 0.00 58.31 58.45 1ub5 n LYS 45 Cb 0.93 -3.73 -0.13 0.00 0.00 0.00 0.00 35.03 32.10 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 -1.29 3.18 0.28 1.64 3.52 -1.26 -4.93 118.95 120.08 1ub5 s ARG 46 Ca 0.00 -0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 54.53 1ub5 s ARG 46 Cb 0.00 -3.23 -0.14 0.00 -1.56 0.00 0.00 34.95 30.02 1ub5 s ARG 46 CO 0.00 -0.35 1.05 1.28 -0.81 0.00 0.00 175.30 176.46 1ub5 n LEU 47 N 4.83 1.89 -4.05 -0.88 7.99 -1.26 -4.53 117.00 120.98 1ub5 n LEU 47 Ca -0.16 1.18 -0.25 0.00 -0.01 0.00 0.00 56.01 56.76 1ub5 n LEU 47 Cb 0.49 -1.30 -0.17 0.00 -0.11 0.00 0.00 43.42 42.34 1ub5 n LEU 47 CO 0.30 -1.32 -0.48 -0.70 -1.51 0.00 0.00 177.39 173.68 1ub5 s GLU 48 N -1.43 1.84 0.24 3.23 2.12 -0.14 -4.97 118.70 119.58 1ub5 s GLU 48 Ca 0.60 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 55.16 1ub5 s GLU 48 Cb -0.71 -1.50 -0.09 0.00 0.26 0.00 0.00 34.13 32.09 1ub5 s GLU 48 CO 0.59 0.06 1.18 -0.46 -0.54 0.00 0.00 175.26 176.09 1ub5 s TRP 49 N 0.58 3.43 -0.11 5.30 -0.00 -1.26 -0.44 118.94 126.44 1ub5 s TRP 49 Ca -0.14 1.52 -0.03 0.00 -0.00 0.00 0.00 56.10 57.45 1ub5 s TRP 49 Cb -0.16 -3.41 -0.06 0.00 -0.00 0.00 0.00 33.47 29.84 1ub5 s TRP 49 CO 0.04 -1.07 -0.12 0.28 -0.00 0.00 0.00 176.95 176.08 1ub5 n VAL 50 N 1.82 0.60 -3.56 5.86 0.31 -0.37 -4.77 118.33 118.22 1ub5 n VAL 50 Ca 0.02 -0.19 -0.08 0.00 -0.01 0.00 0.00 64.34 64.08 1ub5 n VAL 50 Cb 0.44 -1.30 -0.04 0.00 -0.91 0.00 0.00 33.84 32.04 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 -2.20 -1.93 0.02 3.52 0.00 -0.97 -4.20 121.76 116.00 1ub5 s ALA 51 Ca -0.15 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.18 1ub5 s ALA 51 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1ub5 s ALA 51 CO 0.21 -0.48 0.07 -1.12 0.00 0.00 0.00 175.76 174.45 1ub5 s SER 52 N -1.74 0.14 -0.04 0.00 0.01 -0.87 -0.10 113.70 111.10 1ub5 s SER 52 Ca 0.03 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 1ub5 s SER 52 Cb -0.01 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.43 1ub5 s SER 52 CO -0.03 -0.39 0.04 -0.51 0.41 0.00 0.00 173.24 172.75 1ub5 s ILE 53 N -1.76 0.02 1.11 1.44 2.07 0.12 -0.76 121.20 123.44 1ub5 s ILE 53 Ca -0.12 0.28 -0.17 0.00 -1.41 0.00 0.00 60.65 59.23 1ub5 s ILE 53 Cb -0.06 -0.21 0.24 0.00 0.13 0.00 0.00 42.46 42.55 1ub5 s ILE 53 CO -0.01 0.17 1.13 -0.94 -1.91 0.00 0.00 174.94 173.38 1ub5 s SER 54 N 1.73 1.75 0.30 4.50 1.04 -0.11 -1.14 113.70 121.76 1ub5 s SER 54 Ca -0.00 0.74 0.05 0.00 0.48 0.00 0.00 55.95 57.22 1ub5 s SER 54 Cb -0.12 -1.08 0.46 0.00 0.10 0.00 0.00 66.02 65.37 1ub5 s SER 54 CO -0.03 -3.62 1.72 0.77 0.98 0.00 0.00 173.24 173.06 1ub5 h SER 55 N -2.24 0.34 0.54 7.02 4.64 -1.80 -1.58 113.55 120.47 1ub5 h SER 55 Ca -0.48 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1ub5 h SER 55 Cb 1.30 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ub5 h SER 55 CO 0.42 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 1ub5 n GLY 56 N -0.31 -1.04 0.63 -0.77 0.00 -1.26 -4.87 105.19 97.57 1ub5 n GLY 56 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.08 0.65 3.73 -0.02 0.00 -0.59 -5.06 105.19 103.97 1ub5 n GLY 57 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.38 3.42 0.02 -0.61 -1.09 -1.26 -4.72 121.20 114.57 1ub5 s ILE 58 Ca 0.00 1.09 -0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1ub5 s ILE 58 Cb 0.00 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1ub5 s ILE 58 CO 0.00 0.13 0.15 0.42 -1.23 0.00 0.00 174.94 174.40 1ub5 s THR 59 N 0.54 5.09 -0.00 2.92 -4.23 -1.26 -0.93 115.64 117.75 1ub5 s THR 59 Ca 0.59 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1ub5 s THR 59 Cb -0.35 -3.40 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 1ub5 s THR 59 CO 0.34 0.25 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.28 1ub5 s TYR 60 N -1.35 0.72 -0.01 3.99 1.51 0.06 -5.00 117.35 117.27 1ub5 s TYR 60 Ca 0.28 -0.15 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 1ub5 s TYR 60 Cb -0.12 -0.46 0.01 0.00 -0.11 0.00 0.00 41.96 41.28 1ub5 s TYR 60 CO 0.20 -0.01 0.23 0.71 -1.11 0.00 0.00 175.55 175.57 1ub5 s TYR 61 N -0.24 -0.09 0.60 2.71 2.02 -1.26 -2.06 117.35 119.04 1ub5 s TYR 61 Ca 0.03 0.12 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 1ub5 s TYR 61 Cb -0.03 0.03 0.01 0.00 -0.40 0.00 0.00 41.96 41.56 1ub5 s TYR 61 CO -0.00 -0.32 0.93 -1.25 -1.57 0.00 0.00 175.55 173.34 1ub5 s PRO 62 N -1.22 2.95 0.45 -1.71 0.04 -1.26 -4.85 135.00 129.40 1ub5 s PRO 62 Ca -0.13 0.09 0.11 0.00 0.04 0.00 0.00 61.00 61.11 1ub5 s PRO 62 Cb -0.06 -2.23 1.01 0.00 0.04 0.00 0.00 34.50 33.26 1ub5 s PRO 62 CO 0.03 -0.73 2.08 -0.44 0.04 0.00 0.00 177.00 177.98 1ub5 h ASP 63 N -0.24 0.30 -0.82 6.66 3.45 -1.97 -1.60 116.42 122.20 1ub5 h ASP 63 Ca -0.45 -0.01 0.23 0.00 0.43 0.00 0.00 57.03 57.23 1ub5 h ASP 63 Cb 1.25 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.91 1ub5 h ASP 63 CO 0.61 0.22 0.58 0.77 -1.57 0.00 0.00 179.24 179.85 1ub5 h SER 64 N 0.36 0.06 0.00 6.45 4.64 -1.97 -3.01 113.55 120.08 1ub5 h SER 64 Ca 0.11 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ub5 h SER 64 Cb 0.02 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ub5 h SER 64 CO -0.02 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1ub5 n VAL 65 N -4.33 0.00 -1.63 0.95 0.24 -1.06 -5.01 118.33 107.49 1ub5 n VAL 65 Ca 0.17 -0.32 -0.50 0.00 -2.04 0.00 0.00 64.34 61.64 1ub5 n VAL 65 Cb 0.85 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 34.29 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 -0.41 -0.09 0.00 2.33 0.00 -0.63 -0.89 120.51 120.83 1ub5 n ALA 66 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ub5 n ALA 66 Cb 0.03 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.29 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 3.01 3.25 0.06 0.00 0.00 -1.26 -4.78 105.19 105.47 1ub5 n GLY 67 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.78 1.66 -4.21 1.61 1.74 -0.06 -5.01 116.66 110.62 1ub5 n ARG 68 Ca 0.00 0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 1ub5 n ARG 68 Cb 0.00 -1.31 -0.08 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.29 3.13 -0.07 -1.55 2.99 -0.78 -1.69 117.98 117.72 1ub5 s PHE 69 Ca -0.09 0.11 -0.01 0.00 0.00 0.00 0.00 56.93 56.94 1ub5 s PHE 69 Cb 0.04 -1.68 0.03 0.00 0.00 0.00 0.00 43.02 41.41 1ub5 s PHE 69 CO 0.46 0.49 -0.02 0.99 -0.00 0.00 0.00 175.22 177.14 1ub5 s THR 70 N -1.15 0.49 -0.14 0.64 2.01 0.02 -4.87 115.64 112.64 1ub5 s THR 70 Ca 0.22 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 1ub5 s THR 70 Cb -0.12 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 1ub5 s THR 70 CO 0.13 0.27 0.20 -0.51 -0.69 0.00 0.00 174.62 174.02 1ub5 s ILE 71 N 1.79 5.38 0.13 1.82 2.07 -1.26 -0.54 121.20 130.59 1ub5 s ILE 71 Ca 0.03 0.35 -0.06 0.00 -1.41 0.00 0.00 60.65 59.56 1ub5 s ILE 71 Cb -0.13 -3.51 -0.02 0.00 0.13 0.00 0.00 42.46 38.94 1ub5 s ILE 71 CO -0.05 0.52 0.18 -0.94 -1.91 0.00 0.00 174.94 172.74 1ub5 s SER 72 N -0.35 0.16 -0.01 4.50 1.04 -0.93 -4.99 113.70 113.13 1ub5 s SER 72 Ca 0.14 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1ub5 s SER 72 Cb -0.13 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1ub5 s SER 72 CO 0.04 -0.80 -0.00 -0.60 0.98 0.00 0.00 173.24 172.85 1ub5 s ARG 73 N -3.96 0.10 -0.52 4.02 3.52 -1.26 -0.49 118.95 120.35 1ub5 s ARG 73 Ca 0.16 0.01 -0.13 0.00 -0.13 0.00 0.00 55.73 55.64 1ub5 s ARG 73 Cb 0.05 -0.17 0.13 0.00 -1.56 0.00 0.00 34.95 33.40 1ub5 s ARG 73 CO -0.02 -0.03 0.44 0.34 -0.81 0.00 0.00 175.30 175.22 1ub5 s ASP 74 N 0.28 6.00 0.45 -2.12 3.68 0.05 -4.94 116.67 120.06 1ub5 s ASP 74 Ca -0.02 -1.86 0.12 0.00 2.13 0.00 0.00 52.55 52.92 1ub5 s ASP 74 Cb -0.04 -2.13 1.01 0.00 -1.45 0.00 0.00 42.92 40.31 1ub5 s ASP 74 CO -0.01 -0.79 2.04 0.78 0.13 0.00 0.00 175.17 177.33 1ub5 h ASN 75 N 8.69 0.17 0.23 -0.34 2.35 -1.97 0.35 115.58 125.06 1ub5 h ASN 75 Ca -0.26 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1ub5 h ASN 75 Cb 1.09 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1ub5 h ASN 75 CO 0.96 0.21 -0.11 0.58 -1.65 0.00 0.00 177.43 177.42 1ub5 h VAL 76 N 0.18 0.60 -0.00 2.81 2.07 -1.97 -3.29 116.25 116.66 1ub5 h VAL 76 Ca 0.05 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1ub5 h VAL 76 Cb 0.14 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1ub5 h VAL 76 CO 0.00 0.15 -0.01 0.54 0.02 0.00 0.00 177.57 178.27 1ub5 n ARG 77 N -4.99 0.26 -3.13 1.57 1.74 -1.22 -4.95 116.66 105.94 1ub5 n ARG 77 Ca -0.07 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1ub5 n ARG 77 Cb 0.25 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.36 -7.03 -3.96 0.55 5.15 0.07 -5.02 115.26 103.66 1ub5 n ASN 78 Ca 0.11 -0.43 -0.18 0.00 -0.60 0.00 0.00 54.58 53.49 1ub5 n ASN 78 Cb 0.28 -5.15 -0.15 0.00 -0.53 0.00 0.00 39.78 34.23 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 0.55 -0.10 -1.44 1.01 -0.92 -4.39 121.20 112.69 1ub5 s ILE 79 Ca 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 1ub5 s ILE 79 Cb -0.03 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1ub5 s ILE 79 CO 0.73 0.18 -0.01 -0.22 0.00 0.00 0.00 174.94 175.62 1ub5 s LEU 80 N 0.21 3.47 0.19 2.97 0.20 0.45 -0.77 118.68 125.40 1ub5 s LEU 80 Ca -0.03 0.06 0.09 0.00 0.69 0.00 0.00 54.13 54.94 1ub5 s LEU 80 Cb -0.07 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 1ub5 s LEU 80 CO -0.00 0.32 -0.17 -0.31 -0.29 0.00 0.00 176.35 175.90 1ub5 s TYR 81 N -0.53 1.82 -0.29 5.38 1.51 0.35 0.30 117.35 125.90 1ub5 s TYR 81 Ca 0.09 -0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1ub5 s TYR 81 Cb -0.12 -0.87 0.10 0.00 -0.11 0.00 0.00 41.96 40.97 1ub5 s TYR 81 CO 0.02 0.38 0.15 -1.17 -1.11 0.00 0.00 175.55 173.82 1ub5 s LEU 82 N -3.04 0.45 -0.25 -1.29 0.20 -0.61 -2.18 118.68 111.96 1ub5 s LEU 82 Ca 0.20 -1.22 -0.22 0.00 0.69 0.00 0.00 54.13 53.59 1ub5 s LEU 82 Cb -0.03 -0.25 -0.01 0.00 -0.43 0.00 0.00 46.19 45.46 1ub5 s LEU 82 CO 0.08 -0.43 0.69 -1.58 -0.29 0.00 0.00 176.35 174.82 1ub5 s GLN 83 N 2.13 4.14 0.01 1.98 2.00 0.29 -0.87 119.66 129.35 1ub5 s GLN 83 Ca 0.09 0.68 0.02 0.00 -2.00 0.00 0.00 55.36 54.15 1ub5 s GLN 83 Cb -0.16 -3.65 -0.04 0.00 0.80 0.00 0.00 33.01 29.97 1ub5 s GLN 83 CO -0.36 -0.44 -0.00 -1.64 -0.50 0.00 0.00 175.29 172.35 1ub5 s MET 84 N 2.59 2.75 0.11 1.67 -1.94 0.15 -0.80 119.30 123.83 1ub5 s MET 84 Ca 0.29 -0.65 -0.04 0.00 -1.71 0.00 0.00 55.69 53.59 1ub5 s MET 84 Cb -0.15 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 1ub5 s MET 84 CO 0.08 0.61 0.11 -1.12 -0.01 0.00 0.00 175.02 174.69 1ub5 s SER 85 N -1.65 0.26 -1.51 3.03 0.01 -0.68 -1.82 113.70 111.34 1ub5 s SER 85 Ca 0.20 -1.00 -0.03 0.00 1.31 0.00 0.00 55.95 56.44 1ub5 s SER 85 Cb -0.12 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.45 1ub5 s SER 85 CO 0.11 -0.74 0.31 -1.20 0.41 0.00 0.00 173.24 172.14 1ub5 n SER 86 N -0.07 -0.21 -4.74 2.44 7.64 -1.10 -4.73 113.62 112.85 1ub5 n SER 86 Ca -0.09 -1.11 -0.41 0.00 1.01 0.00 0.00 58.87 58.26 1ub5 n SER 86 Cb 0.63 -2.45 0.01 0.00 -1.01 0.00 0.00 64.21 61.38 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 -4.45 4.47 -4.42 -3.43 4.77 -0.52 -4.64 117.00 108.79 1ub5 n LEU 87 Ca -0.26 1.17 -0.25 0.00 -0.03 0.00 0.00 56.01 56.65 1ub5 n LEU 87 Cb 0.66 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.08 1ub5 n LEU 87 CO 0.81 -0.21 -0.50 -0.13 -1.33 0.00 0.00 177.39 176.03 1ub5 s ARG 88 N -2.16 1.52 0.45 3.23 3.00 -1.26 0.78 118.95 124.51 1ub5 s ARG 88 Ca 0.57 -1.60 0.17 0.00 0.00 0.00 0.00 55.73 54.87 1ub5 s ARG 88 Cb -0.49 -1.69 1.12 0.00 0.00 0.00 0.00 34.95 33.88 1ub5 s ARG 88 CO 0.61 0.34 1.95 0.66 0.00 0.00 0.00 175.30 178.86 1ub5 h SER 89 N 2.84 0.31 0.35 0.23 4.64 -1.96 0.13 113.55 120.09 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 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1ub5 h SER 89 CO 0.54 0.17 0.00 -1.84 -0.87 0.00 0.00 176.83 174.82 1ub5 n GLU 90 N -4.46 0.04 0.00 4.77 0.28 -1.26 -2.15 120.64 117.86 1ub5 n GLU 90 Ca 0.12 0.37 0.13 0.00 -0.16 0.00 0.00 57.16 57.62 1ub5 n GLU 90 Cb 0.50 -1.58 0.38 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 -1.65 0.47 -4.70 -1.84 8.00 0.44 -4.88 116.55 112.38 1ub5 n ASP 91 Ca 0.02 -0.22 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 1ub5 n ASP 91 Cb 0.12 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.33 0.18 0.00 -3.53 -1.04 -0.91 -4.89 114.28 102.75 1ub5 n THR 92 Ca 0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1ub5 n THR 92 Cb 0.33 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 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 4.76 0.00 -2.58 2.41 0.00 -0.00 -4.75 120.51 120.35 1ub5 n ALA 93 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 1ub5 n ALA 93 Cb 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 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 4.15 -0.15 0.00 2.96 -0.46 -0.20 118.68 124.98 1ub5 s LEU 94 Ca 0.00 -0.04 -0.13 0.00 -0.22 0.00 0.00 54.13 53.74 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 -0.13 0.28 -0.31 -1.32 0.00 0.00 176.35 174.87 1ub5 s TYR 95 N 1.84 3.49 0.04 5.38 1.51 0.22 -0.67 117.35 129.15 1ub5 s TYR 95 Ca 0.09 0.60 0.06 0.00 -1.01 0.00 0.00 57.07 56.82 1ub5 s TYR 95 Cb -0.16 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1ub5 s TYR 95 CO 0.11 0.31 -0.15 0.71 -1.11 0.00 0.00 175.55 175.42 1ub5 s TYR 96 N 0.22 2.63 -0.14 2.71 2.02 0.16 -1.12 117.35 123.83 1ub5 s TYR 96 Ca 0.16 -0.21 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 1ub5 s TYR 96 Cb -0.13 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 1ub5 s TYR 96 CO 0.04 0.28 0.13 0.00 -1.57 0.00 0.00 175.55 174.43 1ub5 s ALA 98 N -0.65 -0.57 -0.79 0.00 0.00 0.32 -2.71 121.76 117.35 1ub5 s ALA 98 Ca 0.13 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 1ub5 s ALA 98 Cb -0.12 -0.26 0.20 0.00 0.00 0.00 0.00 23.12 22.94 1ub5 s ALA 98 CO 0.02 -0.14 0.67 0.50 0.00 0.00 0.00 175.76 176.81 1ub5 s ARG 99 N -0.26 3.18 0.43 0.00 3.00 -0.04 -0.94 118.95 124.32 1ub5 s ARG 99 Ca -0.04 -2.74 0.23 0.00 -1.00 0.00 0.00 55.73 52.18 1ub5 s ARG 99 Cb -0.03 -4.06 0.88 0.00 0.00 0.00 0.00 34.95 31.74 1ub5 s ARG 99 CO 0.01 -1.23 1.81 0.78 0.00 0.00 0.00 175.30 176.67 1ub5 h GLY 100 N 6.98 0.00 -2.89 8.12 0.00 -1.79 -1.86 103.07 111.62 1ub5 h GLY 100 Ca 0.08 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.88 1ub5 h GLY 100 CO 0.78 0.00 0.55 1.20 0.00 0.00 0.00 176.54 179.07 1ub5 s GLN 101 N -3.64 3.62 5.46 4.80 -0.21 -1.26 -4.15 119.66 124.28 1ub5 s GLN 101 Ca 0.01 1.99 0.00 0.00 0.02 0.00 0.00 55.36 57.38 1ub5 s GLN 101 Cb 0.10 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1ub5 s GLN 101 CO 0.64 -0.73 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1ub5 n GLY 102 N 0.58 1.11 3.41 3.09 0.00 -1.26 -4.06 105.19 108.06 1ub5 n GLY 102 Ca 0.07 0.40 -0.44 0.00 0.00 0.00 0.00 46.02 46.06 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 3.01 0.36 1.61 3.00 -1.26 -5.05 118.95 120.62 1ub5 s ARG 103 Ca 0.00 -1.19 -0.28 0.00 -1.00 0.00 0.00 55.73 53.26 1ub5 s ARG 103 Cb 0.00 -4.10 -0.11 0.00 0.00 0.00 0.00 34.95 30.74 1ub5 s ARG 103 CO 0.00 -1.01 1.52 -2.14 0.00 0.00 0.00 175.30 173.67 1ub5 s PRO 104 N 1.85 4.10 -0.00 5.12 0.02 -1.26 -4.90 135.00 139.93 1ub5 s PRO 104 Ca 0.07 2.60 0.05 0.00 0.02 0.00 0.00 61.00 63.73 1ub5 s PRO 104 Cb -0.22 -2.97 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 1ub5 s PRO 104 CO 0.08 -0.57 -0.16 0.71 -0.33 0.00 0.00 177.00 176.73 1ub5 s TYR 105 N -0.90 1.43 0.09 6.54 2.02 -0.70 -5.00 117.35 120.84 1ub5 s TYR 105 Ca 0.55 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.85 1ub5 s TYR 105 Cb -0.47 -0.91 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1ub5 s TYR 105 CO 0.61 -0.01 0.28 1.67 -1.57 0.00 0.00 175.55 176.52 1ub5 s TRP 106 N -0.45 -0.01 0.00 2.71 -2.14 -1.26 -0.86 118.94 116.93 1ub5 s TRP 106 Ca 0.06 -0.35 0.00 0.00 2.66 0.00 0.00 56.10 58.47 1ub5 s TRP 106 Cb -0.06 0.07 0.00 0.00 -3.10 0.00 0.00 33.47 30.38 1ub5 s TRP 106 CO -0.00 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.11 1ub5 n GLY 107 N -0.03 -0.03 0.04 3.67 0.00 -1.10 -4.59 105.19 103.16 1ub5 n GLY 107 Ca -0.16 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.61 0.13 0.00 1.61 1.13 -1.26 -4.92 117.38 113.46 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 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 28.73 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 1.42 -1.05 3.04 1.08 0.00 -1.26 -5.02 105.19 103.39 1ub5 n GLY 109 Ca 0.06 -1.52 -0.24 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 -3.16 1.13 -0.01 2.61 -1.32 -0.27 -4.82 115.64 109.79 1ub5 s THR 110 Ca 0.00 -0.50 -0.28 0.00 -1.21 0.00 0.00 61.69 59.70 1ub5 s THR 110 Cb 0.00 -1.02 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1ub5 s THR 110 CO 0.00 0.35 0.90 -0.22 -2.21 0.00 0.00 174.62 173.44 1ub5 s LEU 111 N 0.50 4.36 -0.20 9.08 2.96 -1.26 -0.61 118.68 133.52 1ub5 s LEU 111 Ca -0.11 1.53 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 1ub5 s LEU 111 Cb -0.14 -3.43 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1ub5 s LEU 111 CO 0.03 -0.21 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.00 1ub5 s VAL 112 N 0.88 2.34 -0.21 1.68 1.01 0.72 -0.84 120.40 125.99 1ub5 s VAL 112 Ca 0.48 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1ub5 s VAL 112 Cb -0.20 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.18 1ub5 s VAL 112 CO 0.25 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.78 1ub5 s THR 113 N 1.31 2.04 -0.38 3.92 2.01 -0.59 -0.82 115.64 123.14 1ub5 s THR 113 Ca 0.04 -1.21 -0.09 0.00 0.31 0.00 0.00 61.69 60.74 1ub5 s THR 113 Cb -0.14 -1.99 0.04 0.00 0.01 0.00 0.00 72.50 70.42 1ub5 s THR 113 CO -0.10 0.28 0.19 -0.69 -0.69 0.00 0.00 174.62 173.60 1ub5 s VAL 114 N 1.23 4.26 0.10 3.82 1.01 -1.26 -0.46 120.40 129.11 1ub5 s VAL 114 Ca -0.01 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.69 1ub5 s VAL 114 Cb -0.16 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1ub5 s VAL 114 CO -0.09 -0.29 0.50 -0.94 0.00 0.00 0.00 175.10 174.28 1ub5 s SER 115 N 1.64 -0.41 -0.01 3.32 1.04 -0.54 -4.44 113.70 114.30 1ub5 s SER 115 Ca 0.01 -0.03 0.14 0.00 0.48 0.00 0.00 55.95 56.55 1ub5 s SER 115 Cb -0.20 0.51 -0.20 0.00 0.10 0.00 0.00 66.02 66.24 1ub5 s SER 115 CO 0.04 -0.83 0.42 -0.24 0.98 0.00 0.00 173.24 173.61 1ub5 n SER 116 N -0.01 1.33 -4.56 7.02 2.88 -1.26 -4.17 113.62 114.85 1ub5 n SER 116 Ca -0.17 -0.31 -0.38 0.00 -1.33 0.00 0.00 58.87 56.68 1ub5 n SER 116 Cb 0.63 1.41 0.04 0.00 -0.75 0.00 0.00 64.21 65.54 1ub5 n SER 116 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ub5 n ALA 117 N -1.75 -0.32 -2.36 -1.46 0.00 -1.26 -4.92 120.51 108.43 1ub5 n ALA 117 Ca -0.01 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 1ub5 n ALA 117 Cb 0.31 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 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 -2.42 4.65 -0.27 0.00 -0.14 -1.26 -4.97 119.74 115.33 1ub5 s LYS 118 Ca 0.72 1.47 -0.29 0.00 -1.36 0.00 0.00 55.97 56.51 1ub5 s LYS 118 Cb -0.44 -3.39 -0.03 0.00 -1.68 0.00 0.00 37.83 32.29 1ub5 s LYS 118 CO 0.51 0.13 1.82 -0.08 -0.76 0.00 0.00 175.35 176.97 1ub5 s THR 119 N 0.25 3.45 -0.11 2.17 -1.32 -1.26 -4.76 115.64 114.06 1ub5 s THR 119 Ca 0.49 0.47 -0.00 0.00 -1.21 0.00 0.00 61.69 61.44 1ub5 s THR 119 Cb -0.23 -3.55 -0.02 0.00 -1.51 0.00 0.00 72.50 67.19 1ub5 s THR 119 CO 0.30 -0.31 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.40 1ub5 s THR 120 N 6.54 3.33 0.61 5.08 2.01 0.30 -4.95 115.64 128.56 1ub5 s THR 120 Ca 0.81 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 62.06 1ub5 s THR 120 Cb -0.25 -2.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1ub5 s THR 120 CO 0.33 0.54 1.11 -2.16 -0.69 0.00 0.00 174.62 173.75 1ub5 s PRO 121 N -0.00 3.05 0.33 4.92 0.04 -1.26 -1.61 135.00 140.46 1ub5 s PRO 121 Ca -0.02 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 1ub5 s PRO 121 Cb -0.14 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1ub5 s PRO 121 CO 0.04 -1.06 0.88 -1.25 0.04 0.00 0.00 177.00 175.64 1ub5 s PRO 122 N -3.80 4.38 -0.24 0.56 0.04 -1.26 -4.26 135.00 130.42 1ub5 s PRO 122 Ca 0.69 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 1ub5 s PRO 122 Cb -0.21 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 1ub5 s PRO 122 CO 0.36 0.22 0.16 -1.12 0.04 0.00 0.00 177.00 176.66 1ub5 s SER 123 N -1.81 6.05 -0.22 6.66 0.01 -0.32 -4.95 113.70 119.13 1ub5 s SER 123 Ca 0.52 0.08 -0.05 0.00 1.31 0.00 0.00 55.95 57.81 1ub5 s SER 123 Cb -0.15 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1ub5 s SER 123 CO 0.20 0.05 -0.00 -0.69 0.41 0.00 0.00 173.24 173.20 1ub5 s VAL 124 N 1.17 3.76 -0.12 3.43 1.01 -1.26 -1.80 120.40 126.59 1ub5 s VAL 124 Ca 0.07 -0.37 0.01 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 0.05 0.41 -0.16 -0.31 0.00 0.00 0.00 175.10 175.08 1ub5 s TYR 125 N 1.36 2.73 0.48 5.22 2.02 0.42 -4.96 117.35 124.61 1ub5 s TYR 125 Ca 0.04 -0.75 -0.22 0.00 -0.37 0.00 0.00 57.07 55.78 1ub5 s TYR 125 Cb -0.15 -1.79 -0.07 0.00 -0.40 0.00 0.00 41.96 39.55 1ub5 s TYR 125 CO 0.00 -0.26 1.11 -1.25 -1.57 0.00 0.00 175.55 173.58 1ub5 s PRO 126 N 0.30 3.73 -0.45 -1.71 0.04 -1.26 -0.42 135.00 135.23 1ub5 s PRO 126 Ca -0.13 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.53 1ub5 s PRO 126 Cb -0.16 -2.25 0.13 0.00 0.04 0.00 0.00 34.50 32.26 1ub5 s PRO 126 CO 0.06 -0.53 0.23 0.00 0.04 0.00 0.00 177.00 176.80 1ub5 s ALA 127 N -1.72 2.33 0.32 8.56 0.00 0.37 -4.83 121.76 126.79 1ub5 s ALA 127 Ca 0.66 -2.68 0.07 0.00 0.00 0.00 0.00 51.96 50.01 1ub5 s ALA 127 Cb -0.24 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 1ub5 s ALA 127 CO 0.28 -2.04 -0.03 0.00 0.00 0.00 0.00 175.76 173.97 1ub5 s ALA 128 N 0.30 2.58 0.27 0.00 0.00 -1.26 -1.05 121.76 122.60 1ub5 s ALA 128 Ca 0.17 -2.03 -0.29 0.00 0.00 0.00 0.00 51.96 49.81 1ub5 s ALA 128 Cb -0.25 0.23 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 1ub5 s ALA 128 CO -0.00 -0.09 1.18 -1.25 0.00 0.00 0.00 175.76 175.60 1ub5 s PRO 129 N -3.73 4.52 0.00 0.00 0.04 -1.26 -5.02 135.00 129.55 1ub5 s PRO 129 Ca 0.32 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1ub5 s PRO 129 Cb 0.05 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1ub5 s PRO 129 CO 0.14 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1ub5 n GLY 130 N 1.34 1.32 3.67 0.56 0.00 -1.26 -5.04 105.19 105.79 1ub5 n GLY 130 Ca 0.01 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 -1.52 3.55 0.00 0.00 -1.26 -5.06 105.19 104.32 1ub5 n GLY 132 Ca 0.12 1.12 -0.27 0.00 0.00 0.00 0.00 46.02 47.00 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 -2.31 2.98 -0.45 1.61 1.11 -1.26 -5.03 116.67 113.33 1ub5 s ASP 133 Ca 0.23 -1.66 -0.07 0.00 0.18 0.00 0.00 52.55 51.23 1ub5 s ASP 133 Cb -0.06 0.48 -0.17 0.00 1.07 0.00 0.00 42.92 44.24 1ub5 s ASP 133 CO 0.77 -0.91 3.33 0.41 1.18 0.00 0.00 175.17 179.96 1ub5 n THR 134 N -0.95 3.41 -1.56 -1.27 -1.04 -1.26 -4.88 114.28 106.73 1ub5 n THR 134 Ca -0.08 -2.03 -0.13 0.00 -2.04 0.00 0.00 64.05 59.77 1ub5 n THR 134 Cb 0.65 -2.08 -0.09 0.00 -1.82 0.00 0.00 70.33 66.99 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 2.48 0.00 -2.95 12.58 -1.04 -1.26 -4.72 114.28 119.38 1ub5 n THR 135 Ca 0.52 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1ub5 n THR 135 Cb 0.70 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 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 6.47 1.74 3.55 3.41 0.00 -1.26 -5.11 105.19 113.98 1ub5 n GLY 136 Ca 0.44 -0.84 -0.55 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.38 0.92 -2.27 1.61 2.88 -1.26 -3.57 113.62 111.54 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 -1.07 -0.02 0.00 -0.75 0.00 0.00 64.21 62.37 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 2.08 -4.92 -4.28 -3.46 7.64 -1.23 -4.71 113.62 104.74 1ub5 n SER 138 Ca 0.19 1.39 -0.29 0.00 1.01 0.00 0.00 58.87 61.17 1ub5 n SER 138 Cb 0.14 -4.61 -0.16 0.00 -1.01 0.00 0.00 64.21 58.58 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 1.89 -0.42 0.44 0.11 0.14 -4.82 120.40 117.21 1ub5 s VAL 139 Ca -0.11 -1.03 -0.18 0.00 -2.93 0.00 0.00 61.98 57.74 1ub5 s VAL 139 Cb 0.01 -1.57 0.02 0.00 -1.53 0.00 0.00 36.38 33.31 1ub5 s VAL 139 CO 0.30 0.53 0.46 -0.89 -3.33 0.00 0.00 175.10 172.17 1ub5 s THR 140 N -0.56 5.06 0.36 5.04 2.01 -1.26 -2.59 115.64 123.69 1ub5 s THR 140 Ca 0.09 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 61.88 1ub5 s THR 140 Cb -0.09 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1ub5 s THR 140 CO -0.01 -0.44 0.30 -0.76 -0.69 0.00 0.00 174.62 173.02 1ub5 s LEU 141 N 2.22 3.47 -0.09 4.42 1.43 -0.00 -4.73 118.68 125.39 1ub5 s LEU 141 Ca 0.13 -0.63 -0.32 0.00 -1.03 0.00 0.00 54.13 52.28 1ub5 s LEU 141 Cb -0.17 -2.08 0.12 0.00 0.03 0.00 0.00 46.19 44.10 1ub5 s LEU 141 CO 0.14 -0.45 1.20 -0.83 0.23 0.00 0.00 176.35 176.65 1ub5 s GLY 142 N -4.02 -0.35 -0.08 -3.19 0.00 -0.21 -0.04 107.32 99.44 1ub5 s GLY 142 Ca 0.43 1.12 0.01 0.00 0.00 0.00 0.00 44.72 46.29 1ub5 s GLY 142 CO 0.26 0.33 -0.10 0.00 0.00 0.00 0.00 173.10 173.59 1ub5 s LEU 144 N 0.95 4.14 -0.18 0.00 2.96 0.44 -1.56 118.68 125.42 1ub5 s LEU 144 Ca -0.09 0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1ub5 s LEU 144 Cb -0.15 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.22 1ub5 s LEU 144 CO 0.00 -0.01 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.18 1ub5 s VAL 145 N 1.21 2.54 0.19 1.68 1.01 0.15 -0.44 120.40 126.74 1ub5 s VAL 145 Ca 0.14 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1ub5 s VAL 145 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1ub5 s VAL 145 CO 0.06 0.51 0.22 -1.59 0.00 0.00 0.00 175.10 174.30 1ub5 s LYS 146 N 1.15 1.22 -0.88 2.72 -2.85 -0.74 0.33 119.74 120.69 1ub5 s LYS 146 Ca 0.01 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.54 1ub5 s LYS 146 Cb -0.14 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1ub5 s LYS 146 CO -0.06 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.37 1ub5 n GLY 147 N -0.26 0.78 3.81 0.59 0.00 -0.89 -1.17 105.19 108.06 1ub5 n GLY 147 Ca -0.01 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.35 2.81 -0.29 1.61 1.13 -1.15 -4.53 117.35 114.57 1ub5 s TYR 148 Ca 0.00 -0.36 -0.20 0.00 -1.41 0.00 0.00 57.07 55.11 1ub5 s TYR 148 Cb 0.00 -1.79 0.17 0.00 -1.10 0.00 0.00 41.96 39.24 1ub5 s TYR 148 CO 0.00 0.20 1.15 0.12 -2.51 0.00 0.00 175.55 174.52 1ub5 s PHE 149 N -2.37 -0.32 0.88 -3.49 5.36 -0.63 -0.48 117.98 116.93 1ub5 s PHE 149 Ca 0.41 0.68 -0.15 0.00 -0.96 0.00 0.00 56.93 56.91 1ub5 s PHE 149 Cb -0.04 0.29 0.22 0.00 -0.34 0.00 0.00 43.02 43.16 1ub5 s PHE 149 CO 0.25 -0.16 0.65 -2.30 -1.46 0.00 0.00 175.22 172.21 1ub5 n PRO 150 N 2.83 -3.12 -0.07 10.12 -0.02 -1.26 -0.54 135.00 142.94 1ub5 n PRO 150 Ca -0.15 -1.06 -0.09 0.00 -2.02 0.00 0.00 63.50 60.18 1ub5 n PRO 150 Cb 0.57 -1.16 0.07 0.00 -0.02 0.00 0.00 33.50 32.96 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 0.76 -5.80 -0.52 4.81 -1.99 -3.45 114.58 108.39 1ub5 h GLU 151 Ca -0.27 -0.35 -0.63 0.00 -0.13 0.00 0.00 59.36 57.99 1ub5 h GLU 151 Cb 0.85 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1ub5 h GLU 151 CO 0.17 0.97 1.49 -0.35 -0.73 0.00 0.00 179.01 180.55 1ub5 n PRO 152 N -4.07 0.79 -3.77 0.92 -0.04 -1.26 -4.92 135.00 122.65 1ub5 n PRO 152 Ca -0.01 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1ub5 n PRO 152 Cb 0.48 -2.33 -0.11 0.00 -0.04 0.00 0.00 33.50 31.50 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 8.05 0.00 -0.10 0.52 0.11 -1.26 -4.49 120.40 123.23 1ub5 s VAL 153 Ca 1.13 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 60.18 1ub5 s VAL 153 Cb -0.90 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1ub5 s VAL 153 CO 0.48 -0.01 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.17 1ub5 s THR 154 N 0.09 1.63 -0.22 5.04 2.01 0.19 -4.97 115.64 119.41 1ub5 s THR 154 Ca -0.01 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 1ub5 s THR 154 Cb -0.02 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 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 0.70 4.26 -0.04 3.82 1.01 -1.26 -0.55 120.40 128.35 1ub5 s VAL 155 Ca -0.12 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.70 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 0.03 0.39 -0.16 0.42 0.00 0.00 0.00 175.10 175.78 1ub5 s THR 156 N 1.17 1.34 -0.44 3.92 -4.23 -0.23 -4.95 115.64 112.22 1ub5 s THR 156 Ca 0.04 -0.68 -0.08 0.00 -1.18 0.00 0.00 61.69 59.79 1ub5 s THR 156 Cb -0.14 -1.15 0.10 0.00 1.34 0.00 0.00 72.50 72.65 1ub5 s THR 156 CO 0.03 0.39 0.29 0.26 -0.54 0.00 0.00 174.62 175.05 1ub5 s TRP 157 N -0.02 3.42 -0.46 3.99 0.52 -1.26 0.28 118.94 125.41 1ub5 s TRP 157 Ca -0.02 -1.84 0.00 0.00 0.02 0.00 0.00 56.10 54.26 1ub5 s TRP 157 Cb -0.10 -3.26 0.00 0.00 -1.15 0.00 0.00 33.47 28.96 1ub5 s TRP 157 CO 0.01 -0.94 0.00 0.09 0.02 0.00 0.00 176.95 176.13 1ub5 n ASN 158 N 4.86 -2.30 0.00 2.95 3.02 -1.12 -2.24 115.26 120.43 1ub5 n ASN 158 Ca -0.08 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1ub5 n ASN 158 Cb 0.42 -1.98 0.00 0.00 -0.61 0.00 0.00 39.78 37.60 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 0.71 0.00 -3.62 6.41 7.64 -1.26 -4.77 113.62 118.72 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 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 5.18 3.30 0.23 0.00 -0.95 -4.93 105.19 108.02 1ub5 n GLY 160 Ca 0.00 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 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 0.23 1.61 -0.00 -0.02 0.00 -1.21 -4.93 107.32 102.99 1ub5 s GLY 161 Ca 0.48 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 44.03 1ub5 s GLY 161 CO -0.06 0.44 0.08 -1.26 0.00 0.00 0.00 173.10 172.29 1ub5 n SER 164 N 4.79 3.48 -1.67 1.64 2.88 -1.26 -4.61 113.62 118.87 1ub5 n SER 164 Ca -0.18 -0.12 -0.15 0.00 -1.33 0.00 0.00 58.87 57.10 1ub5 n SER 164 Cb 0.50 1.11 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 -1.49 3.55 -4.84 -3.46 2.88 -1.26 -5.01 113.62 103.98 1ub5 n SER 165 Ca -0.00 -3.74 -0.35 0.00 -1.33 0.00 0.00 58.87 53.45 1ub5 n SER 165 Cb 0.07 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 62.76 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 -3.53 4.81 -0.36 2.46 -7.23 -1.26 -3.08 120.40 112.20 1ub5 s VAL 166 Ca 0.51 0.86 -0.00 0.00 -1.81 0.00 0.00 61.98 61.54 1ub5 s VAL 166 Cb 0.44 -3.73 0.12 0.00 0.56 0.00 0.00 36.38 33.78 1ub5 s VAL 166 CO 0.03 0.15 0.18 -1.00 -0.31 0.00 0.00 175.10 174.15 1ub5 s HIS 167 N -1.57 1.33 -0.36 2.82 3.76 0.43 -4.99 115.29 116.71 1ub5 s HIS 167 Ca 0.41 -1.81 -0.17 0.00 -0.15 0.00 0.00 55.06 53.35 1ub5 s HIS 167 Cb -0.14 -1.43 -0.00 0.00 1.11 0.00 0.00 32.58 32.11 1ub5 s HIS 167 CO 0.20 -0.83 0.44 0.99 -0.85 0.00 0.00 174.74 174.68 1ub5 s THR 168 N 1.12 5.09 0.39 1.30 2.01 -1.26 -1.73 115.64 122.56 1ub5 s THR 168 Ca 0.15 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.02 1ub5 s THR 168 Cb -0.21 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1ub5 s THR 168 CO -0.11 -0.22 0.87 -0.36 -0.69 0.00 0.00 174.62 174.12 1ub5 s PHE 169 N 2.19 3.35 0.23 4.92 0.08 -0.96 -5.01 117.98 122.79 1ub5 s PHE 169 Ca 0.14 1.47 -0.32 0.00 0.12 0.00 0.00 56.93 58.35 1ub5 s PHE 169 Cb -0.16 -2.74 -0.14 0.00 -0.57 0.00 0.00 43.02 39.41 1ub5 s PHE 169 CO 0.13 -0.02 1.40 -2.30 -0.10 0.00 0.00 175.22 174.33 1ub5 n PRO 170 N -0.48 1.97 -2.17 0.24 -0.02 -1.26 -4.50 135.00 128.78 1ub5 n PRO 170 Ca 0.05 0.70 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 1ub5 n PRO 170 Cb 0.54 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.01 2.79 -0.05 3.55 0.00 -1.26 -4.82 121.76 121.99 1ub5 s ALA 171 Ca 0.70 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.66 1ub5 s ALA 171 Cb -0.67 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.04 1ub5 s ALA 171 CO 0.49 -0.85 -0.21 -0.51 0.00 0.00 0.00 175.76 174.68 1ub5 s LEU 172 N -3.51 1.99 0.09 0.00 1.43 0.75 -4.89 118.68 114.54 1ub5 s LEU 172 Ca 0.70 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 1ub5 s LEU 172 Cb -0.28 -1.14 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 1ub5 s LEU 172 CO 0.33 0.20 1.05 -0.22 0.23 0.00 0.00 176.35 177.94 1ub5 s LEU 173 N -0.10 4.44 -0.21 1.79 2.96 -1.26 -0.79 118.68 125.51 1ub5 s LEU 173 Ca -0.02 1.89 -0.04 0.00 -0.22 0.00 0.00 54.13 55.73 1ub5 s LEU 173 Cb -0.12 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.06 1ub5 s LEU 173 CO 0.02 -0.24 0.10 -1.58 -1.32 0.00 0.00 176.35 173.33 1ub5 s GLN 174 N 0.37 0.18 -1.68 1.98 0.74 0.32 -4.85 119.66 116.71 1ub5 s GLN 174 Ca 0.51 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.65 1ub5 s GLN 174 Cb -0.26 -1.67 0.00 0.00 1.10 0.00 0.00 33.01 32.18 1ub5 s GLN 174 CO 0.31 -0.78 0.00 0.43 -0.55 0.00 0.00 175.29 174.70 1ub5 n SER 175 N 5.23 -5.50 0.00 6.67 7.64 -1.26 -1.67 113.62 124.74 1ub5 n SER 175 Ca -0.07 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ub5 n SER 175 Cb 0.47 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 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 -0.92 0.30 3.27 0.23 0.00 -1.26 -5.07 105.19 101.74 1ub5 n GLY 176 Ca -0.23 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 0.27 0.99 1.43 -0.67 -4.91 118.68 118.01 1ub5 s LEU 177 Ca 0.00 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 1ub5 s LEU 177 Cb 0.00 -0.95 -0.08 0.00 0.03 0.00 0.00 46.19 45.19 1ub5 s LEU 177 CO 0.00 0.12 0.63 -0.31 0.23 0.00 0.00 176.35 177.02 1ub5 s TYR 178 N -0.94 3.41 -0.04 0.29 2.02 0.37 0.12 117.35 122.58 1ub5 s TYR 178 Ca 0.07 1.00 -0.03 0.00 -0.37 0.00 0.00 57.07 57.74 1ub5 s TYR 178 Cb -0.09 -2.36 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1ub5 s TYR 178 CO 0.03 0.19 0.10 0.99 -1.57 0.00 0.00 175.55 175.29 1ub5 s THR 179 N -1.91 -0.01 0.06 -0.71 2.01 0.03 -2.09 115.64 113.03 1ub5 s THR 179 Ca 0.50 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 62.31 1ub5 s THR 179 Cb -0.11 -0.16 0.06 0.00 0.01 0.00 0.00 72.50 72.30 1ub5 s THR 179 CO 0.20 0.02 0.54 0.00 -0.69 0.00 0.00 174.62 174.69 1ub5 s MET 180 N 0.29 1.08 0.21 4.92 0.23 0.15 -0.18 119.30 126.01 1ub5 s MET 180 Ca -0.02 -0.27 0.07 0.00 -1.03 0.00 0.00 55.69 54.44 1ub5 s MET 180 Cb -0.03 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 1ub5 s MET 180 CO -0.01 -0.41 -0.12 -1.54 -2.03 0.00 0.00 175.02 170.91 1ub5 s SER 181 N -2.11 2.53 -0.03 -1.18 1.04 -1.26 0.32 113.70 113.01 1ub5 s SER 181 Ca -0.04 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 1ub5 s SER 181 Cb -0.00 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1ub5 s SER 181 CO -0.04 -0.22 0.03 -0.55 0.98 0.00 0.00 173.24 173.45 1ub5 s SER 182 N -3.33 0.44 0.10 7.02 0.15 -0.60 -2.26 113.70 115.22 1ub5 s SER 182 Ca 0.23 0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.98 1ub5 s SER 182 Cb 0.00 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1ub5 s SER 182 CO 0.07 -0.16 -0.04 -0.94 1.20 0.00 0.00 173.24 173.37 1ub5 s SER 183 N 1.39 4.75 0.07 5.45 1.04 -0.71 -1.08 113.70 124.62 1ub5 s SER 183 Ca -0.05 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1ub5 s SER 183 Cb -0.13 -1.04 -0.03 0.00 0.10 0.00 0.00 66.02 64.92 1ub5 s SER 183 CO -0.03 0.17 -0.08 0.54 0.98 0.00 0.00 173.24 174.82 1ub5 s VAL 184 N -1.29 0.69 -0.04 5.02 0.11 0.94 -0.43 120.40 125.40 1ub5 s VAL 184 Ca 0.24 -1.43 0.03 0.00 -2.93 0.00 0.00 61.98 57.88 1ub5 s VAL 184 Cb -0.11 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1ub5 s VAL 184 CO 0.16 -0.54 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.38 1ub5 s THR 185 N -2.19 1.04 -0.00 5.04 2.01 -1.18 -0.82 115.64 119.53 1ub5 s THR 185 Ca -0.01 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 1ub5 s THR 185 Cb -0.04 -0.92 0.03 0.00 0.01 0.00 0.00 72.50 71.57 1ub5 s THR 185 CO -0.01 0.32 0.36 0.68 -0.69 0.00 0.00 174.62 175.27 1ub5 s VAL 186 N 0.30 0.05 0.28 3.82 -7.23 -1.07 -4.72 120.40 111.84 1ub5 s VAL 186 Ca -0.07 -0.45 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 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 -0.25 1.29 -2.16 -0.31 0.00 0.00 175.10 173.69 1ub5 s PRO 187 N -1.58 4.39 0.58 4.82 0.04 -1.26 0.25 135.00 142.25 1ub5 s PRO 187 Ca -0.11 2.13 0.28 0.00 0.04 0.00 0.00 61.00 63.34 1ub5 s PRO 187 Cb -0.04 -3.12 1.51 0.00 0.04 0.00 0.00 34.50 32.89 1ub5 s PRO 187 CO 0.03 -0.17 1.97 1.03 0.04 0.00 0.00 177.00 179.90 1ub5 h SER 188 N 4.11 0.00 0.00 6.66 0.87 -1.84 -0.19 113.55 123.16 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 -3.87 0.00 0.00 6.23 7.64 -1.26 -2.20 113.62 120.15 1ub5 n SER 189 Ca 0.07 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1ub5 n SER 189 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.78 0.00 -0.09 0.44 5.66 -0.09 -4.90 114.28 114.52 1ub5 n THR 190 Ca 0.05 0.00 -0.08 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 69.77 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 0.35 0.00 1.09 7.01 -1.34 -3.01 115.95 120.04 1ub5 h TRP 191 Ca 0.00 0.01 -0.53 0.00 2.11 0.00 0.00 58.89 60.48 1ub5 h TRP 191 Cb 0.87 -0.11 0.01 0.00 -2.10 0.00 0.00 29.16 27.82 1ub5 h TRP 191 CO 0.00 0.20 2.84 -0.35 -2.79 0.00 0.00 178.44 178.34 1ub5 n PRO 192 N -4.91 3.15 -0.08 2.65 -0.04 -1.26 -3.61 135.00 130.89 1ub5 n PRO 192 Ca -0.01 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1ub5 n PRO 192 Cb 0.05 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 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 3.42 0.27 -1.34 3.54 7.64 -1.14 -5.09 113.62 120.91 1ub5 n SER 193 Ca 0.67 -1.32 -0.00 0.00 1.01 0.00 0.00 58.87 59.23 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 -0.09 -3.04 -3.95 0.44 -1.04 -1.24 -5.05 114.28 100.32 1ub5 n THR 195 Ca 0.00 0.13 -0.35 0.00 -2.04 0.00 0.00 64.05 61.80 1ub5 n THR 195 Cb 0.51 -3.42 -0.14 0.00 -1.82 0.00 0.00 70.33 65.45 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 -0.03 2.90 -0.05 12.58 1.01 -1.26 -5.06 120.40 130.48 1ub5 s VAL 196 Ca -0.01 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 60.93 1ub5 s VAL 196 Cb 0.00 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 1ub5 s VAL 196 CO 0.02 0.14 -0.20 -0.89 0.00 0.00 0.00 175.10 174.17 1ub5 s THR 197 N 1.31 1.67 -0.20 3.92 2.01 -1.26 -1.68 115.64 121.41 1ub5 s THR 197 Ca -0.01 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 1ub5 s THR 197 Cb -0.17 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1ub5 s THR 197 CO -0.04 0.47 0.06 0.00 -0.69 0.00 0.00 174.62 174.43 1ub5 s SER 199 N 0.64 5.21 -0.32 0.00 0.15 0.14 -1.56 113.70 117.96 1ub5 s SER 199 Ca 0.03 -0.87 -0.12 0.00 0.70 0.00 0.00 55.95 55.69 1ub5 s SER 199 Cb -0.13 -1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 1ub5 s SER 199 CO 0.02 -0.25 0.22 -0.69 1.20 0.00 0.00 173.24 173.74 1ub5 s VAL 200 N 1.47 5.28 -0.13 4.45 1.01 0.11 -1.07 120.40 131.52 1ub5 s VAL 200 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1ub5 s VAL 200 Cb -0.18 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1ub5 s VAL 200 CO 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 175.10 175.18 1ub5 s ALA 201 N 1.73 3.02 -0.48 5.51 0.00 0.28 -0.22 121.76 131.62 1ub5 s ALA 201 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1ub5 s ALA 201 Cb -0.17 -1.47 0.18 0.00 0.00 0.00 0.00 23.12 21.67 1ub5 s ALA 201 CO 0.11 0.34 0.41 1.58 0.00 0.00 0.00 175.76 178.20 1ub5 n HIS 202 N 3.07 0.17 -0.21 0.00 -0.00 0.45 -0.63 115.22 118.06 1ub5 n HIS 202 Ca -0.18 -3.58 0.31 0.00 -0.00 0.00 0.00 57.72 54.28 1ub5 n HIS 202 Cb 0.53 -0.03 0.72 0.00 -0.00 0.00 0.00 29.99 31.21 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 5.29 0.00 -0.71 1.57 0.13 -1.79 -0.27 132.00 136.22 1ub5 h PRO 203 Ca 0.22 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.44 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 0.00 178.00 178.71 1ub5 h ALA 204 N 1.38 1.85 -0.26 -0.56 0.00 -1.94 -1.59 119.26 118.13 1ub5 h ALA 204 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1ub5 h ALA 204 Cb 2.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1ub5 h ALA 204 CO -0.00 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1ub5 n SER 205 N -4.49 2.83 -3.46 0.00 3.41 -0.16 -4.96 113.62 106.79 1ub5 n SER 205 Ca 0.12 -2.15 -0.25 0.00 -0.26 0.00 0.00 58.87 56.32 1ub5 n SER 205 Cb 0.33 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.13 -4.74 -4.39 4.04 7.64 -0.60 -4.96 113.62 110.75 1ub5 n SER 206 Ca 0.11 -0.49 -0.32 0.00 1.01 0.00 0.00 58.87 59.18 1ub5 n SER 206 Cb 0.45 -3.84 -0.14 0.00 -1.01 0.00 0.00 64.21 59.66 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 -3.12 2.49 -0.07 0.44 2.01 -1.09 -4.99 115.64 111.32 1ub5 s THR 207 Ca 0.47 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1ub5 s THR 207 Cb -0.23 -1.94 0.03 0.00 0.01 0.00 0.00 72.50 70.37 1ub5 s THR 207 CO 0.57 0.54 0.01 -0.89 -0.69 0.00 0.00 174.62 174.17 1ub5 s THR 208 N -0.70 0.29 -0.14 -0.82 2.01 -1.26 -0.42 115.64 114.59 1ub5 s THR 208 Ca 0.11 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1ub5 s THR 208 Cb -0.10 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 1ub5 s THR 208 CO 0.00 0.24 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.33 1ub5 s VAL 209 N 2.01 2.71 -0.20 3.82 1.01 0.70 -4.95 120.40 125.50 1ub5 s VAL 209 Ca 0.05 -0.76 -0.03 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 34.11 1ub5 s VAL 209 CO -0.05 0.52 -0.07 -1.81 0.00 0.00 0.00 175.10 173.70 1ub5 s ASP 210 N 0.65 4.23 -0.22 3.32 1.01 -1.26 0.06 116.67 124.46 1ub5 s ASP 210 Ca -0.08 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.83 1ub5 s ASP 210 Cb -0.16 -1.71 0.04 0.00 1.01 0.00 0.00 42.92 42.10 1ub5 s ASP 210 CO 0.02 0.03 -0.15 -0.75 0.21 0.00 0.00 175.17 174.54 1ub5 s LYS 211 N 1.15 2.68 -0.35 8.23 2.47 -0.60 -4.99 119.74 128.33 1ub5 s LYS 211 Ca 0.02 -1.05 -0.21 0.00 -1.56 0.00 0.00 55.97 53.17 1ub5 s LYS 211 Cb -0.14 -2.75 0.00 0.00 -1.46 0.00 0.00 37.83 33.48 1ub5 s LYS 211 CO -0.01 -0.37 0.65 0.21 0.16 0.00 0.00 175.35 175.98 1ub5 s LYS 212 N 1.22 3.72 -0.10 4.03 2.20 -1.26 -2.09 119.74 127.46 1ub5 s LYS 212 Ca -0.01 0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.42 1ub5 s LYS 212 Cb -0.16 -3.80 -0.07 0.00 -1.51 0.00 0.00 37.83 32.30 1ub5 s LYS 212 CO -0.09 -0.72 2.05 -0.51 -0.36 0.00 0.00 175.35 175.72 1ub5 s LEU 213 N 2.72 3.94 0.00 5.43 1.43 -0.67 -5.02 118.68 126.51 1ub5 s LEU 213 Ca 0.25 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1ub5 s LEU 213 Cb -0.14 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1ub5 s LEU 213 CO 0.14 -1.48 0.00 -0.62 0.23 0.00 0.00 176.35 174.62