#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub6 s ALA 3 N 0.00 -1.10 -0.08 0.00 0.00 -0.17 -4.96 121.76 115.46 1ub6 s ALA 3 Ca 0.00 0.95 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1ub6 s ALA 3 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1ub6 s ALA 3 CO 0.00 -0.25 -0.17 -0.51 0.00 0.00 0.00 175.76 174.83 1ub6 s LEU 4 N -0.52 2.53 -0.20 0.00 1.43 -1.26 -0.35 118.68 120.31 1ub6 s LEU 4 Ca -0.06 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1ub6 s LEU 4 Cb -0.03 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.72 1ub6 s LEU 4 CO 0.03 0.25 -0.03 -0.22 0.23 0.00 0.00 176.35 176.61 1ub6 s LEU 5 N -0.19 1.94 0.45 1.79 2.96 -0.54 -3.97 118.68 121.12 1ub6 s LEU 5 Ca -0.01 -0.92 -0.13 0.00 -0.22 0.00 0.00 54.13 52.85 1ub6 s LEU 5 Cb -0.13 -0.96 -0.07 0.00 0.50 0.00 0.00 46.19 45.52 1ub6 s LEU 5 CO 0.03 -0.23 0.86 -1.61 -1.32 0.00 0.00 176.35 174.08 1ub6 s GLU 6 N 1.58 3.85 0.21 1.98 8.01 -1.26 -1.75 118.70 131.31 1ub6 s GLU 6 Ca -0.02 0.67 -0.22 0.00 0.01 0.00 0.00 54.97 55.40 1ub6 s GLU 6 Cb -0.17 -2.29 0.05 0.00 -4.31 0.00 0.00 34.13 27.41 1ub6 s GLU 6 CO -0.07 -0.13 0.66 -1.54 0.01 0.00 0.00 175.26 174.19 1ub6 s SER 7 N -3.11 -0.43 0.00 -0.19 1.04 -0.56 -4.77 113.70 105.68 1ub6 s SER 7 Ca 0.54 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1ub6 s SER 7 Cb -0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1ub6 s SER 7 CO 0.31 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1ub6 n GLY 8 N -0.41 0.46 3.64 7.32 0.00 -1.26 -1.19 105.19 113.75 1ub6 n GLY 8 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1ub6 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ub6 s GLY 9 N -1.65 1.56 0.00 -0.02 0.00 -1.26 -4.70 107.32 101.24 1ub6 s GLY 9 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1ub6 s GLY 9 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.01 1ub6 n GLY 10 N -0.74 -1.62 3.74 0.20 0.00 0.51 -4.91 105.19 102.37 1ub6 n GLY 10 Ca 0.05 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1ub6 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub6 s LEU 11 N 0.00 4.39 -0.00 0.99 1.02 -1.26 -1.24 118.68 122.58 1ub6 s LEU 11 Ca 0.00 1.26 -0.02 0.00 0.02 0.00 0.00 54.13 55.38 1ub6 s LEU 11 Cb 0.00 -3.07 -0.00 0.00 0.02 0.00 0.00 46.19 43.14 1ub6 s LEU 11 CO 0.00 0.01 0.04 -0.69 0.02 0.00 0.00 176.35 175.73 1ub6 s VAL 12 N 0.17 0.05 0.48 -1.59 1.01 0.04 -4.96 120.40 115.60 1ub6 s VAL 12 Ca 0.35 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 1ub6 s VAL 12 Cb -0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.90 1ub6 s VAL 12 CO 0.19 -0.22 0.98 -0.54 0.00 0.00 0.00 175.10 175.50 1ub6 s LYS 13 N -0.69 4.03 0.44 2.72 1.02 -1.25 -0.89 119.74 125.12 1ub6 s LYS 13 Ca -0.08 1.08 -0.24 0.00 0.02 0.00 0.00 55.97 56.76 1ub6 s LYS 13 Cb -0.05 -2.15 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 1ub6 s LYS 13 CO -0.00 -0.20 1.05 -2.30 -0.92 0.00 0.00 175.35 172.98 1ub6 n PRO 14 N -1.12 1.41 -0.06 -1.68 -0.02 -1.26 -0.33 135.00 131.95 1ub6 n PRO 14 Ca 0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ub6 n PRO 14 Cb 0.54 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1ub6 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ub6 n GLY 15 N 1.12 2.89 3.70 -1.23 0.00 0.19 -4.91 105.19 106.96 1ub6 n GLY 15 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1ub6 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub6 n GLY 16 N -2.00 -2.02 3.17 -0.02 0.00 0.56 -3.73 105.19 101.14 1ub6 n GLY 16 Ca 0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 1ub6 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ub6 s SER 17 N -5.28 1.46 -0.07 1.61 1.04 -1.26 -0.70 113.70 110.49 1ub6 s SER 17 Ca 0.73 -0.77 -0.19 0.00 0.48 0.00 0.00 55.95 56.20 1ub6 s SER 17 Cb -0.04 0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.12 1ub6 s SER 17 CO 0.53 -0.23 0.45 -0.22 0.98 0.00 0.00 173.24 174.75 1ub6 s LEU 18 N -2.30 0.30 -0.20 2.42 2.96 -0.25 -4.98 118.68 116.62 1ub6 s LEU 18 Ca 0.04 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1ub6 s LEU 18 Cb -0.04 1.67 0.03 0.00 0.50 0.00 0.00 46.19 48.35 1ub6 s LEU 18 CO 0.00 -0.40 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.71 1ub6 s LYS 19 N -0.80 2.82 0.15 1.98 2.20 -1.26 0.48 119.74 125.32 1ub6 s LYS 19 Ca -0.09 -0.95 -0.09 0.00 -0.36 0.00 0.00 55.97 54.49 1ub6 s LYS 19 Cb -0.03 -2.65 -0.06 0.00 -1.51 0.00 0.00 37.83 33.57 1ub6 s LYS 19 CO 0.04 -0.29 0.45 -0.51 -0.36 0.00 0.00 175.35 174.69 1ub6 s LEU 20 N 1.25 4.27 0.26 5.43 1.43 0.45 -4.66 118.68 127.10 1ub6 s LEU 20 Ca 0.02 0.81 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 1ub6 s LEU 20 Cb -0.15 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 1ub6 s LEU 20 CO -0.11 0.06 -0.05 -0.94 0.23 0.00 0.00 176.35 175.54 1ub6 s SER 21 N -2.12 2.47 -0.17 2.29 1.04 -0.33 -0.93 113.70 115.95 1ub6 s SER 21 Ca 0.40 -1.18 -0.07 0.00 0.48 0.00 0.00 55.95 55.58 1ub6 s SER 21 Cb -0.13 -0.11 0.07 0.00 0.10 0.00 0.00 66.02 65.95 1ub6 s SER 21 CO 0.21 -0.37 0.37 0.00 0.98 0.00 0.00 173.24 174.43 1ub6 s THR 23 N 1.91 2.68 0.03 0.00 -4.23 -0.72 -1.56 115.64 113.75 1ub6 s THR 23 Ca -0.06 -1.41 -0.17 0.00 -1.18 0.00 0.00 61.69 58.88 1ub6 s THR 23 Cb -0.10 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1ub6 s THR 23 CO -0.12 -0.02 0.37 0.00 -0.54 0.00 0.00 174.62 174.32 1ub6 s ALA 24 N -2.48 -0.90 -0.13 3.99 0.00 -1.26 -1.47 121.76 119.52 1ub6 s ALA 24 Ca 0.46 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1ub6 s ALA 24 Cb -0.02 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1ub6 s ALA 24 CO 0.27 -0.41 -0.12 0.45 0.00 0.00 0.00 175.76 175.95 1ub6 s SER 25 N -1.91 2.45 0.00 0.00 0.15 0.53 -4.73 113.70 110.19 1ub6 s SER 25 Ca -0.06 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1ub6 s SER 25 Cb -0.01 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 1ub6 s SER 25 CO -0.01 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1ub6 n GLY 26 N 4.78 0.76 2.97 9.45 0.00 -1.26 -1.00 105.19 120.88 1ub6 n GLY 26 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1ub6 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub6 s ILE 27 N -2.83 0.84 -0.62 -0.61 1.01 -1.26 -4.91 121.20 112.81 1ub6 s ILE 27 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 1ub6 s ILE 27 Cb 0.00 -0.80 0.16 0.00 0.01 0.00 0.00 42.46 41.83 1ub6 s ILE 27 CO 0.00 0.29 0.52 -0.89 0.00 0.00 0.00 174.94 174.86 1ub6 s THR 28 N 0.69 4.73 0.32 2.92 2.01 -1.26 -4.84 115.64 120.20 1ub6 s THR 28 Ca -0.12 -2.16 0.08 0.00 0.31 0.00 0.00 61.69 59.80 1ub6 s THR 28 Cb -0.14 -4.02 0.34 0.00 0.01 0.00 0.00 72.50 68.68 1ub6 s THR 28 CO 0.02 -0.89 1.63 -0.26 -0.69 0.00 0.00 174.62 174.43 1ub6 h PHE 29 N 8.07 0.49 0.00 4.92 0.05 -1.95 -1.51 116.94 127.01 1ub6 h PHE 29 Ca -0.10 0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.74 1ub6 h PHE 29 Cb 1.05 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.94 1ub6 h PHE 29 CO 0.79 -0.28 0.07 0.66 -0.18 0.00 0.00 178.31 179.36 1ub6 h SER 30 N 0.17 0.00 0.51 2.17 4.64 -1.93 -2.44 113.55 116.67 1ub6 h SER 30 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1ub6 h SER 30 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1ub6 h SER 30 CO -0.71 0.00 -0.71 0.54 -0.87 0.00 0.00 176.83 175.08 1ub6 n ARG 32 N -2.40 0.14 -4.28 4.77 1.74 -0.57 -4.66 116.66 111.40 1ub6 n ARG 32 Ca -0.02 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1ub6 n ARG 32 Cb 0.11 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 1ub6 n ARG 32 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ub6 n TYR 34 N -1.75 0.46 -2.89 -1.55 4.02 -0.92 -4.80 117.16 109.73 1ub6 n TYR 34 Ca 0.04 -2.35 -0.43 0.00 -0.01 0.00 0.00 57.90 55.14 1ub6 n TYR 34 Cb 0.38 -0.11 -0.04 0.00 -0.02 0.00 0.00 39.34 39.55 1ub6 n TYR 34 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ub6 s ILE 35 N -2.85 4.39 0.16 -0.72 1.01 -1.26 -3.33 121.20 118.60 1ub6 s ILE 35 Ca 0.12 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 1ub6 s ILE 35 Cb 0.01 -4.64 -0.07 0.00 0.01 0.00 0.00 42.46 37.76 1ub6 s ILE 35 CO 0.09 -1.37 0.61 -0.04 0.00 0.00 0.00 174.94 174.22 1ub6 s MET 36 N 3.88 4.09 0.20 2.79 -1.94 -0.61 -4.31 119.30 123.40 1ub6 s MET 36 Ca 0.22 0.64 0.01 0.00 -1.71 0.00 0.00 55.69 54.85 1ub6 s MET 36 Cb -0.17 -2.94 -0.05 0.00 2.01 0.00 0.00 34.83 33.68 1ub6 s MET 36 CO 0.11 0.47 0.04 -1.12 -0.01 0.00 0.00 175.02 174.51 1ub6 s SER 37 N -1.64 1.13 -0.02 3.03 0.01 -0.10 -0.78 113.70 115.34 1ub6 s SER 37 Ca 0.39 -1.26 0.05 0.00 1.31 0.00 0.00 55.95 56.44 1ub6 s SER 37 Cb -0.16 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1ub6 s SER 37 CO 0.20 -0.64 -0.18 0.26 0.41 0.00 0.00 173.24 173.29 1ub6 s TRP 38 N -3.73 1.60 0.14 2.43 0.52 0.95 -0.85 118.94 120.01 1ub6 s TRP 38 Ca 0.30 -0.33 -0.01 0.00 0.02 0.00 0.00 56.10 56.08 1ub6 s TRP 38 Cb 0.07 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.31 1ub6 s TRP 38 CO 0.08 -0.05 0.06 0.14 0.02 0.00 0.00 176.95 177.20 1ub6 s VAL 39 N -0.35 0.17 0.01 4.03 -7.23 -0.23 -1.14 120.40 115.65 1ub6 s VAL 39 Ca 0.05 -1.93 -0.14 0.00 -1.81 0.00 0.00 61.98 58.16 1ub6 s VAL 39 Cb -0.07 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.79 1ub6 s VAL 39 CO -0.00 -0.43 0.30 0.00 -0.31 0.00 0.00 175.10 174.66 1ub6 s ARG 40 N -4.04 0.71 -0.04 4.82 1.70 0.12 0.18 118.95 122.39 1ub6 s ARG 40 Ca 0.25 -0.33 0.01 0.00 -0.47 0.00 0.00 55.73 55.20 1ub6 s ARG 40 Cb 0.07 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 1ub6 s ARG 40 CO 0.03 -0.21 -0.06 1.14 -1.08 0.00 0.00 175.30 175.12 1ub6 s GLN 41 N -1.82 0.99 0.07 3.89 -2.07 -0.56 -0.13 119.66 120.03 1ub6 s GLN 41 Ca -0.10 -0.18 -0.21 0.00 -1.82 0.00 0.00 55.36 53.05 1ub6 s GLN 41 Cb -0.04 -0.93 -0.06 0.00 -1.09 0.00 0.00 33.01 30.89 1ub6 s GLN 41 CO 0.01 -0.03 0.61 0.42 -1.32 0.00 0.00 175.29 174.98 1ub6 s ILE 42 N 0.75 4.73 0.49 3.63 1.09 -1.26 -1.72 121.20 128.91 1ub6 s ILE 42 Ca -0.11 1.30 0.43 0.00 -1.10 0.00 0.00 60.65 61.17 1ub6 s ILE 42 Cb -0.14 -3.94 0.64 0.00 -1.06 0.00 0.00 42.46 37.95 1ub6 s ILE 42 CO 0.01 0.51 1.41 -2.65 -0.10 0.00 0.00 174.94 174.13 1ub6 n PRO 43 N 1.98 -0.01 0.24 2.79 -0.02 -1.26 0.23 135.00 138.95 1ub6 n PRO 43 Ca -0.09 1.01 0.12 0.00 -2.02 0.00 0.00 63.50 62.52 1ub6 n PRO 43 Cb 0.50 -2.26 0.63 0.00 -0.02 0.00 0.00 33.50 32.35 1ub6 n PRO 43 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ub6 h GLU 44 N 0.00 0.00 0.00 -0.52 4.22 -2.01 -3.47 114.58 112.80 1ub6 h GLU 44 Ca 0.85 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.29 1ub6 h GLU 44 Cb 3.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.54 1ub6 h GLU 44 CO -0.08 0.00 0.00 1.63 -2.18 0.00 0.00 179.01 178.38 1ub6 n LYS 45 N -2.47 0.00 -0.58 1.92 4.76 0.64 -5.12 118.16 117.31 1ub6 n LYS 45 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1ub6 n LYS 45 Cb 0.27 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 1ub6 n LYS 45 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1ub6 n ARG 46 N -1.55 0.00 -1.83 1.97 0.63 -1.26 -4.71 116.66 109.91 1ub6 n ARG 46 Ca 0.00 0.30 -0.38 0.00 -0.92 0.00 0.00 57.85 56.85 1ub6 n ARG 46 Cb 0.00 -0.27 0.04 0.00 0.45 0.00 0.00 32.46 32.68 1ub6 n ARG 46 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ub6 s LEU 47 N 0.00 3.81 -0.11 6.15 1.43 -1.26 -4.56 118.68 124.13 1ub6 s LEU 47 Ca 0.00 2.68 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 1ub6 s LEU 47 Cb 0.00 -4.35 0.02 0.00 0.03 0.00 0.00 46.19 41.89 1ub6 s LEU 47 CO 0.00 -1.59 -0.14 -0.70 0.23 0.00 0.00 176.35 174.15 1ub6 s GLU 48 N -3.00 2.11 0.28 1.70 2.12 0.82 -4.95 118.70 117.79 1ub6 s GLU 48 Ca 0.73 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.25 1ub6 s GLU 48 Cb -0.38 -1.86 -0.10 0.00 0.26 0.00 0.00 34.13 32.05 1ub6 s GLU 48 CO 0.44 -0.11 1.34 -0.46 -0.54 0.00 0.00 175.26 175.93 1ub6 s TRP 49 N 1.14 3.08 -0.07 5.30 -0.00 -1.26 -0.70 118.94 126.42 1ub6 s TRP 49 Ca -0.04 1.27 0.01 0.00 -0.00 0.00 0.00 56.10 57.34 1ub6 s TRP 49 Cb -0.14 -3.70 -0.05 0.00 -0.00 0.00 0.00 33.47 29.58 1ub6 s TRP 49 CO -0.04 -2.08 -0.05 0.28 -0.00 0.00 0.00 176.95 175.06 1ub6 n VAL 50 N 1.58 0.41 -3.61 5.86 0.31 -0.29 -4.81 118.33 117.78 1ub6 n VAL 50 Ca 0.03 -0.17 -0.04 0.00 -0.01 0.00 0.00 64.34 64.15 1ub6 n VAL 50 Cb 0.42 -0.77 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 1ub6 n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ub6 s ALA 51 N -2.14 -2.07 0.04 3.52 0.00 -1.04 -4.29 121.76 115.78 1ub6 s ALA 51 Ca -0.09 1.73 -0.04 0.00 0.00 0.00 0.00 51.96 53.56 1ub6 s ALA 51 Cb 0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1ub6 s ALA 51 CO 0.17 -0.40 0.05 -1.12 0.00 0.00 0.00 175.76 174.46 1ub6 s SER 52 N -1.52 0.24 -0.05 0.00 0.01 -0.73 -0.03 113.70 111.63 1ub6 s SER 52 Ca 0.07 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 1ub6 s SER 52 Cb -0.01 0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.45 1ub6 s SER 52 CO -0.05 -0.48 0.09 -0.51 0.41 0.00 0.00 173.24 172.70 1ub6 s ILE 53 N -2.57 -0.12 1.08 1.44 2.07 0.04 -0.86 121.20 122.28 1ub6 s ILE 53 Ca -0.05 0.32 -0.16 0.00 -1.41 0.00 0.00 60.65 59.35 1ub6 s ILE 53 Cb -0.02 -0.18 0.23 0.00 0.13 0.00 0.00 42.46 42.63 1ub6 s ILE 53 CO -0.05 0.14 1.15 -0.94 -1.91 0.00 0.00 174.94 173.33 1ub6 s SER 54 N 1.78 2.04 0.28 4.50 1.04 0.42 -1.57 113.70 122.20 1ub6 s SER 54 Ca -0.01 0.71 -0.00 0.00 0.48 0.00 0.00 55.95 57.13 1ub6 s SER 54 Cb -0.12 -1.05 0.40 0.00 0.10 0.00 0.00 66.02 65.35 1ub6 s SER 54 CO -0.04 -3.44 1.79 -1.28 0.98 0.00 0.00 173.24 171.25 1ub6 h SER 55 N -2.11 0.68 0.00 7.02 0.87 -1.82 -1.49 113.55 116.70 1ub6 h SER 55 Ca -0.47 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1ub6 h SER 55 Cb 1.30 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1ub6 h SER 55 CO 0.44 0.76 0.00 0.61 -0.53 0.00 0.00 176.83 178.11 1ub6 n GLY 56 N -0.69 -0.92 1.89 5.77 0.00 -1.26 -4.86 105.19 105.12 1ub6 n GLY 56 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ub6 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub6 n GLY 57 N 0.52 0.69 3.73 -0.02 0.00 -0.56 -5.03 105.19 104.51 1ub6 n GLY 57 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1ub6 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub6 s ILE 58 N -2.52 4.03 -0.08 -0.61 -1.09 -1.26 -4.73 121.20 114.93 1ub6 s ILE 58 Ca 0.00 1.61 -0.03 0.00 -2.23 0.00 0.00 60.65 60.00 1ub6 s ILE 58 Cb 0.00 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1ub6 s ILE 58 CO 0.00 0.21 0.06 0.42 -1.23 0.00 0.00 174.94 174.40 1ub6 s THR 59 N 0.30 4.78 -0.02 2.92 -4.23 -1.26 -0.43 115.64 117.70 1ub6 s THR 59 Ca 0.53 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.96 1ub6 s THR 59 Cb -0.28 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.48 1ub6 s THR 59 CO 0.32 0.57 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.51 1ub6 s TYR 60 N -0.98 1.41 -0.03 3.99 1.51 -0.04 -5.00 117.35 118.20 1ub6 s TYR 60 Ca 0.15 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.86 1ub6 s TYR 60 Cb -0.12 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.83 1ub6 s TYR 60 CO 0.05 -0.05 0.15 0.71 -1.11 0.00 0.00 175.55 175.30 1ub6 s TYR 61 N -0.28 -0.07 0.59 2.71 2.02 -1.26 -1.76 117.35 119.29 1ub6 s TYR 61 Ca 0.04 0.16 -0.09 0.00 -0.37 0.00 0.00 57.07 56.81 1ub6 s TYR 61 Cb -0.07 0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.48 1ub6 s TYR 61 CO -0.00 -0.19 0.95 -1.25 -1.57 0.00 0.00 175.55 173.49 1ub6 s PRO 62 N -0.65 3.34 0.38 -1.71 0.04 -1.26 -4.80 135.00 130.33 1ub6 s PRO 62 Ca -0.07 0.42 0.12 0.00 0.04 0.00 0.00 61.00 61.51 1ub6 s PRO 62 Cb -0.04 -2.18 0.92 0.00 0.04 0.00 0.00 34.50 33.23 1ub6 s PRO 62 CO 0.01 -0.57 1.85 -0.44 0.04 0.00 0.00 177.00 177.89 1ub6 h ASP 63 N -0.20 0.57 -0.33 6.66 3.32 -1.98 -1.34 116.42 123.12 1ub6 h ASP 63 Ca -0.45 0.05 0.09 0.00 0.02 0.00 0.00 57.03 56.74 1ub6 h ASP 63 Cb 1.22 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1ub6 h ASP 63 CO 0.62 0.25 0.53 0.77 -1.72 0.00 0.00 179.24 179.70 1ub6 h SER 64 N 0.58 0.00 0.00 6.45 4.64 -1.98 -2.68 113.55 120.56 1ub6 h SER 64 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1ub6 h SER 64 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1ub6 h SER 64 CO -0.21 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.08 1ub6 n VAL 65 N -3.33 0.00 -0.10 0.95 0.24 -0.90 -4.96 118.33 110.24 1ub6 n VAL 65 Ca 0.06 -0.12 0.07 0.00 -2.04 0.00 0.00 64.34 62.30 1ub6 n VAL 65 Cb 0.67 1.58 0.12 0.00 -1.47 0.00 0.00 33.84 34.75 1ub6 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ub6 n ALA 66 N -0.06 0.21 -0.01 2.33 0.00 -0.56 -0.44 120.51 121.99 1ub6 n ALA 66 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1ub6 n ALA 66 Cb 0.15 -0.26 0.02 0.00 0.00 0.00 0.00 19.45 19.36 1ub6 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub6 n GLY 67 N -1.11 2.41 0.04 0.00 0.00 -1.26 -4.67 105.19 100.59 1ub6 n GLY 67 Ca 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1ub6 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub6 n ARG 68 N -0.31 2.11 -4.12 1.61 1.74 0.41 -5.01 116.66 113.08 1ub6 n ARG 68 Ca 0.01 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 1ub6 n ARG 68 Cb 0.24 -1.24 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 1ub6 n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ub6 s PHE 69 N -2.31 3.32 -0.15 -1.55 2.99 -0.76 -1.60 117.98 117.93 1ub6 s PHE 69 Ca -0.04 0.26 -0.01 0.00 0.00 0.00 0.00 56.93 57.14 1ub6 s PHE 69 Cb 0.03 -1.79 0.04 0.00 0.00 0.00 0.00 43.02 41.31 1ub6 s PHE 69 CO 0.38 0.57 -0.02 0.99 -0.00 0.00 0.00 175.22 177.15 1ub6 s THR 70 N -1.10 0.77 -0.09 0.64 2.01 0.94 -4.89 115.64 113.91 1ub6 s THR 70 Ca 0.20 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 1ub6 s THR 70 Cb -0.12 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 1ub6 s THR 70 CO 0.10 0.09 0.32 -0.51 -0.69 0.00 0.00 174.62 173.93 1ub6 s ILE 71 N 1.78 5.23 0.20 1.82 2.07 -1.26 -0.32 121.20 130.71 1ub6 s ILE 71 Ca 0.02 0.63 -0.07 0.00 -1.41 0.00 0.00 60.65 59.82 1ub6 s ILE 71 Cb -0.15 -3.64 -0.02 0.00 0.13 0.00 0.00 42.46 38.79 1ub6 s ILE 71 CO -0.07 0.49 0.28 -0.94 -1.91 0.00 0.00 174.94 172.79 1ub6 s SER 72 N -0.33 0.05 -0.04 4.50 1.04 -0.87 -5.00 113.70 113.05 1ub6 s SER 72 Ca 0.20 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.53 1ub6 s SER 72 Cb -0.14 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1ub6 s SER 72 CO 0.08 -0.94 0.10 -0.60 0.98 0.00 0.00 173.24 172.86 1ub6 s ARG 73 N -4.04 0.09 -0.59 4.02 3.52 -1.26 -0.18 118.95 120.51 1ub6 s ARG 73 Ca 0.26 0.20 -0.13 0.00 -0.13 0.00 0.00 55.73 55.92 1ub6 s ARG 73 Cb 0.04 -0.03 0.15 0.00 -1.56 0.00 0.00 34.95 33.54 1ub6 s ARG 73 CO 0.06 -0.07 0.52 0.34 -0.81 0.00 0.00 175.30 175.35 1ub6 s ASP 74 N 0.42 6.15 0.55 -2.12 3.68 0.28 -4.94 116.67 120.69 1ub6 s ASP 74 Ca -0.03 -2.07 0.22 0.00 2.13 0.00 0.00 52.55 52.80 1ub6 s ASP 74 Cb -0.04 -2.15 1.51 0.00 -1.45 0.00 0.00 42.92 40.79 1ub6 s ASP 74 CO -0.02 -0.73 2.19 0.78 0.13 0.00 0.00 175.17 177.52 1ub6 h ASN 75 N 8.45 0.00 0.01 -0.34 2.35 -1.96 0.24 115.58 124.32 1ub6 h ASN 75 Ca -0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1ub6 h ASN 75 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1ub6 h ASN 75 CO 0.92 0.01 -0.00 0.58 -1.65 0.00 0.00 177.43 177.28 1ub6 h VAL 76 N 0.00 1.60 -0.00 2.81 2.07 -1.97 -3.30 116.25 117.46 1ub6 h VAL 76 Ca -0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1ub6 h VAL 76 Cb 0.02 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1ub6 h VAL 76 CO 0.00 0.51 -0.08 -1.14 0.02 0.00 0.00 177.57 176.89 1ub6 n ARG 77 N -4.67 0.12 -3.24 1.57 3.00 -1.19 -4.95 116.66 107.30 1ub6 n ARG 77 Ca -0.09 -0.02 -0.14 0.00 -0.00 0.00 0.00 57.85 57.60 1ub6 n ARG 77 Cb 0.41 -1.50 0.06 0.00 0.00 0.00 0.00 32.46 31.44 1ub6 n ARG 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ub6 n ASN 78 N -1.43 -6.74 -4.04 6.15 5.15 0.77 -4.99 115.26 110.13 1ub6 n ASN 78 Ca 0.08 -0.66 -0.21 0.00 -0.60 0.00 0.00 54.58 53.19 1ub6 n ASN 78 Cb 0.32 -5.21 -0.15 0.00 -0.53 0.00 0.00 39.78 34.21 1ub6 n ASN 78 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ub6 s ILE 79 N -3.36 0.93 -0.13 -1.44 1.01 -0.81 -4.34 121.20 113.06 1ub6 s ILE 79 Ca 0.42 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 1ub6 s ILE 79 Cb -0.06 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1ub6 s ILE 79 CO 0.74 0.28 0.01 -0.22 0.00 0.00 0.00 174.94 175.75 1ub6 s LEU 80 N 0.03 3.59 0.21 2.97 0.20 -0.60 -0.56 118.68 124.51 1ub6 s LEU 80 Ca -0.01 0.08 0.10 0.00 0.69 0.00 0.00 54.13 54.99 1ub6 s LEU 80 Cb -0.08 -1.85 -0.05 0.00 -0.43 0.00 0.00 46.19 43.78 1ub6 s LEU 80 CO 0.00 0.28 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.83 1ub6 s TYR 81 N -0.28 2.07 -0.30 5.38 1.51 0.75 -0.48 117.35 126.00 1ub6 s TYR 81 Ca 0.06 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1ub6 s TYR 81 Cb -0.12 -0.99 0.11 0.00 -0.11 0.00 0.00 41.96 40.85 1ub6 s TYR 81 CO 0.02 0.48 0.16 -1.17 -1.11 0.00 0.00 175.55 173.93 1ub6 s LEU 82 N -2.95 0.49 -0.34 -1.29 1.98 -0.11 -2.06 118.68 114.41 1ub6 s LEU 82 Ca 0.22 -1.34 -0.22 0.00 -2.89 0.00 0.00 54.13 49.89 1ub6 s LEU 82 Cb -0.06 -0.25 0.00 0.00 0.66 0.00 0.00 46.19 46.55 1ub6 s LEU 82 CO 0.10 -0.42 0.73 -1.58 -1.89 0.00 0.00 176.35 173.29 1ub6 s GLN 83 N 2.00 3.80 -0.06 1.98 2.00 0.56 -0.42 119.66 129.53 1ub6 s GLN 83 Ca 0.10 0.30 -0.02 0.00 -2.00 0.00 0.00 55.36 53.75 1ub6 s GLN 83 Cb -0.17 -3.78 -0.04 0.00 0.80 0.00 0.00 33.01 29.83 1ub6 s GLN 83 CO -0.32 -0.75 0.04 -1.64 -0.50 0.00 0.00 175.29 172.12 1ub6 s MET 84 N 2.92 3.04 0.07 1.67 -1.94 0.18 -0.04 119.30 125.19 1ub6 s MET 84 Ca 0.29 -0.42 -0.05 0.00 -1.71 0.00 0.00 55.69 53.81 1ub6 s MET 84 Cb -0.14 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.83 1ub6 s MET 84 CO 0.15 0.69 0.08 -1.12 -0.01 0.00 0.00 175.02 174.80 1ub6 s SER 85 N -1.24 0.31 -1.47 3.03 0.01 -0.63 -1.09 113.70 112.63 1ub6 s SER 85 Ca 0.17 -0.84 -0.06 0.00 1.31 0.00 0.00 55.95 56.52 1ub6 s SER 85 Cb -0.12 0.27 0.05 0.00 0.21 0.00 0.00 66.02 66.43 1ub6 s SER 85 CO 0.07 -0.67 0.66 -1.20 0.41 0.00 0.00 173.24 172.51 1ub6 n SER 86 N 0.02 -1.94 -4.70 2.44 7.64 -0.88 -4.71 113.62 111.49 1ub6 n SER 86 Ca -0.14 -0.93 -0.43 0.00 1.01 0.00 0.00 58.87 58.38 1ub6 n SER 86 Cb 0.62 -3.35 -0.02 0.00 -1.01 0.00 0.00 64.21 60.45 1ub6 n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ub6 n LEU 87 N -4.43 3.64 -4.59 -3.43 4.77 0.12 -4.57 117.00 108.51 1ub6 n LEU 87 Ca -0.16 1.17 -0.24 0.00 -0.03 0.00 0.00 56.01 56.74 1ub6 n LEU 87 Cb 0.61 -1.50 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 1ub6 n LEU 87 CO 0.76 -0.29 -0.38 -0.13 -1.33 0.00 0.00 177.39 176.02 1ub6 s ARG 88 N -0.95 2.10 0.24 3.23 3.00 -1.26 0.57 118.95 125.88 1ub6 s ARG 88 Ca 0.63 -1.47 -0.04 0.00 0.00 0.00 0.00 55.73 54.84 1ub6 s ARG 88 Cb -0.58 -2.06 0.40 0.00 0.00 0.00 0.00 34.95 32.71 1ub6 s ARG 88 CO 0.54 0.37 1.80 0.66 0.00 0.00 0.00 175.30 178.66 1ub6 h SER 89 N 2.18 0.60 0.02 0.23 4.64 -1.96 0.20 113.55 119.47 1ub6 h SER 89 Ca -0.44 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1ub6 h SER 89 Cb 1.24 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ub6 h SER 89 CO 0.59 0.33 0.00 -1.84 -0.87 0.00 0.00 176.83 175.04 1ub6 n GLU 90 N -4.79 0.33 0.00 4.77 0.28 -1.26 -1.79 120.64 118.18 1ub6 n GLU 90 Ca 0.14 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.27 1ub6 n GLU 90 Cb 0.30 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 31.84 1ub6 n GLU 90 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ub6 n ASP 91 N -1.03 0.61 -4.71 -1.84 8.00 0.06 -4.91 116.55 112.73 1ub6 n ASP 91 Ca 0.08 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.74 1ub6 n ASP 91 Cb 0.04 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 1ub6 n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ub6 s THR 92 N -3.00 2.34 -1.75 -3.53 2.01 -0.74 -4.89 115.64 106.09 1ub6 s THR 92 Ca 0.10 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1ub6 s THR 92 Cb 0.17 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1ub6 s THR 92 CO 0.73 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.67 1ub6 n ALA 93 N 4.48 0.00 -2.59 7.40 0.00 -0.25 -4.73 120.51 124.82 1ub6 n ALA 93 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 1ub6 n ALA 93 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 1ub6 n ALA 93 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ub6 s LEU 94 N 0.00 4.07 -0.14 0.00 0.20 -0.70 -0.82 118.68 121.30 1ub6 s LEU 94 Ca 0.00 0.06 -0.12 0.00 0.69 0.00 0.00 54.13 54.77 1ub6 s LEU 94 Cb 0.00 -2.24 -0.05 0.00 -0.43 0.00 0.00 46.19 43.47 1ub6 s LEU 94 CO 0.00 -0.12 0.25 -0.31 -0.29 0.00 0.00 176.35 175.87 1ub6 s TYR 95 N 1.88 3.51 0.04 5.38 1.51 0.29 -1.49 117.35 128.48 1ub6 s TYR 95 Ca 0.10 0.58 0.09 0.00 -1.01 0.00 0.00 57.07 56.83 1ub6 s TYR 95 Cb -0.16 -2.22 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1ub6 s TYR 95 CO 0.11 0.40 -0.24 0.71 -1.11 0.00 0.00 175.55 175.42 1ub6 s TYR 96 N -0.05 2.40 -0.12 2.71 2.02 0.13 -1.76 117.35 122.67 1ub6 s TYR 96 Ca 0.15 -0.36 -0.16 0.00 -0.37 0.00 0.00 57.07 56.33 1ub6 s TYR 96 Cb -0.13 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1ub6 s TYR 96 CO 0.04 0.16 0.41 0.00 -1.57 0.00 0.00 175.55 174.59 1ub6 s ALA 98 N 0.41 -0.38 -0.74 0.00 0.00 -0.03 -2.61 121.76 118.41 1ub6 s ALA 98 Ca 0.22 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 1ub6 s ALA 98 Cb -0.14 -0.28 0.19 0.00 0.00 0.00 0.00 23.12 22.88 1ub6 s ALA 98 CO 0.08 -0.08 0.62 0.50 0.00 0.00 0.00 175.76 176.88 1ub6 s ARG 99 N 0.22 3.12 0.41 0.00 3.00 -0.36 -0.93 118.95 124.42 1ub6 s ARG 99 Ca -0.01 -2.55 0.25 0.00 -1.00 0.00 0.00 55.73 52.42 1ub6 s ARG 99 Cb -0.02 -4.08 0.53 0.00 0.00 0.00 0.00 34.95 31.37 1ub6 s ARG 99 CO -0.01 -1.23 1.68 0.78 0.00 0.00 0.00 175.30 176.51 1ub6 h GLY 100 N 7.33 0.00 -3.15 8.12 0.00 -1.81 -1.83 103.07 111.73 1ub6 h GLY 100 Ca 0.05 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.86 1ub6 h GLY 100 CO 0.74 0.00 0.57 1.20 0.00 0.00 0.00 176.54 179.05 1ub6 s GLN 101 N -3.24 3.82 6.25 4.80 -0.21 -1.26 -4.24 119.66 125.57 1ub6 s GLN 101 Ca 0.07 2.05 0.00 0.00 0.02 0.00 0.00 55.36 57.50 1ub6 s GLN 101 Cb 0.07 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.47 1ub6 s GLN 101 CO 0.64 -0.58 0.00 0.41 -2.12 0.00 0.00 175.29 173.64 1ub6 n GLY 102 N 0.63 1.69 3.46 3.09 0.00 -1.26 -4.15 105.19 108.65 1ub6 n GLY 102 Ca 0.05 0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 1ub6 n GLY 102 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ub6 s ARG 103 N 0.00 3.09 0.30 1.61 3.00 -1.26 -5.04 118.95 120.65 1ub6 s ARG 103 Ca 0.00 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.73 53.58 1ub6 s ARG 103 Cb 0.00 -4.02 -0.11 0.00 0.00 0.00 0.00 34.95 30.82 1ub6 s ARG 103 CO 0.00 -0.98 1.51 -2.14 0.00 0.00 0.00 175.30 173.70 1ub6 s PRO 104 N 2.23 4.18 -0.00 5.12 0.02 -1.26 -4.85 135.00 140.43 1ub6 s PRO 104 Ca 0.12 2.47 0.05 0.00 0.02 0.00 0.00 61.00 63.67 1ub6 s PRO 104 Cb -0.18 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 1ub6 s PRO 104 CO 0.13 -0.53 -0.17 0.71 -0.33 0.00 0.00 177.00 176.81 1ub6 s TYR 105 N -0.25 1.48 0.08 6.54 2.02 -0.69 -5.00 117.35 121.54 1ub6 s TYR 105 Ca 0.60 -0.29 -0.07 0.00 -0.37 0.00 0.00 57.07 56.94 1ub6 s TYR 105 Cb -0.45 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 1ub6 s TYR 105 CO 0.49 -0.01 0.14 1.67 -1.57 0.00 0.00 175.55 176.27 1ub6 s TRP 106 N -0.45 0.25 0.00 2.71 -2.14 -1.26 -1.22 118.94 116.83 1ub6 s TRP 106 Ca 0.06 -0.70 0.00 0.00 2.66 0.00 0.00 56.10 58.12 1ub6 s TRP 106 Cb -0.07 -0.14 0.00 0.00 -3.10 0.00 0.00 33.47 30.16 1ub6 s TRP 106 CO -0.00 -0.51 0.00 0.41 -2.66 0.00 0.00 176.95 174.19 1ub6 n GLY 107 N -0.02 -0.54 0.18 3.67 0.00 -1.07 -4.58 105.19 102.82 1ub6 n GLY 107 Ca -0.15 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.26 1ub6 n GLY 107 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ub6 h GLN 108 N 0.00 0.00 0.00 1.61 1.08 -1.94 -3.47 115.11 112.39 1ub6 h GLN 108 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ub6 h GLN 108 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1ub6 h GLN 108 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1ub6 n GLY 109 N 1.16 0.67 2.97 3.46 0.00 -1.26 -5.05 105.19 107.14 1ub6 n GLY 109 Ca 0.04 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 1ub6 n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ub6 s THR 110 N -2.76 0.80 -0.10 2.61 -1.32 -0.72 -4.82 115.64 109.33 1ub6 s THR 110 Ca 0.00 -0.31 -0.23 0.00 -1.21 0.00 0.00 61.69 59.94 1ub6 s THR 110 Cb 0.00 -0.75 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 1ub6 s THR 110 CO 0.00 0.27 0.70 -0.22 -2.21 0.00 0.00 174.62 173.16 1ub6 s LEU 111 N 0.57 4.28 -0.22 9.08 2.96 -1.26 -0.54 118.68 133.55 1ub6 s LEU 111 Ca -0.10 1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.92 1ub6 s LEU 111 Cb -0.13 -3.06 0.01 0.00 0.50 0.00 0.00 46.19 43.51 1ub6 s LEU 111 CO 0.01 -0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.10 1ub6 s VAL 112 N 1.10 2.86 -0.25 1.68 1.01 0.00 -0.37 120.40 126.43 1ub6 s VAL 112 Ca 0.36 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1ub6 s VAL 112 Cb -0.17 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.93 1ub6 s VAL 112 CO 0.16 0.39 -0.10 0.42 0.00 0.00 0.00 175.10 175.96 1ub6 s THR 113 N 1.38 2.37 -0.53 3.92 -4.23 -0.37 -1.09 115.64 117.09 1ub6 s THR 113 Ca 0.04 -1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 58.99 1ub6 s THR 113 Cb -0.15 -2.30 0.10 0.00 1.34 0.00 0.00 72.50 71.50 1ub6 s THR 113 CO -0.06 0.09 0.53 -0.69 -0.54 0.00 0.00 174.62 173.95 1ub6 s VAL 114 N 1.19 5.10 0.05 2.29 1.01 -1.26 -0.78 120.40 128.00 1ub6 s VAL 114 Ca -0.05 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.64 1ub6 s VAL 114 Cb -0.18 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.89 1ub6 s VAL 114 CO -0.06 -0.85 0.23 -0.55 0.00 0.00 0.00 175.10 173.87 1ub6 s SER 115 N 3.28 -0.00 -0.08 3.32 0.15 -0.07 -4.45 113.70 115.85 1ub6 s SER 115 Ca 0.06 -0.36 0.20 0.00 0.70 0.00 0.00 55.95 56.55 1ub6 s SER 115 Cb -0.26 0.32 -0.30 0.00 -1.71 0.00 0.00 66.02 64.07 1ub6 s SER 115 CO 0.05 -0.61 0.33 0.00 1.20 0.00 0.00 173.24 174.22 1ub6 n ALA 116 N 0.52 2.36 -1.51 5.45 0.00 -1.26 -3.87 120.51 122.20 1ub6 n ALA 116 Ca -0.18 -0.76 -0.39 0.00 0.00 0.00 0.00 53.44 52.11 1ub6 n ALA 116 Cb 0.60 -0.54 0.03 0.00 0.00 0.00 0.00 19.45 19.54 1ub6 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ub6 n ALA 117 N -2.40 -0.74 -2.69 0.00 0.00 -1.26 -4.94 120.51 108.48 1ub6 n ALA 117 Ca -0.13 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 1ub6 n ALA 117 Cb 0.74 -1.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 1ub6 n ALA 117 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ub6 s LYS 118 N -2.15 4.22 -0.09 0.00 3.01 -1.26 -5.01 119.74 118.46 1ub6 s LYS 118 Ca 0.69 0.20 -0.29 0.00 -1.01 0.00 0.00 55.97 55.56 1ub6 s LYS 118 Cb -0.47 -3.49 -0.07 0.00 -1.01 0.00 0.00 37.83 32.79 1ub6 s LYS 118 CO 0.54 0.07 2.07 -0.08 0.51 0.00 0.00 175.35 178.45 1ub6 s THR 119 N 0.98 3.04 -0.03 2.17 -1.32 -1.26 -4.73 115.64 114.48 1ub6 s THR 119 Ca 0.19 0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.76 1ub6 s THR 119 Cb -0.14 -3.04 -0.03 0.00 -1.51 0.00 0.00 72.50 67.78 1ub6 s THR 119 CO 0.07 -0.01 -0.15 0.42 -2.21 0.00 0.00 174.62 172.73 1ub6 s THR 120 N 6.20 2.97 0.88 5.08 -4.23 -1.26 -4.95 115.64 120.32 1ub6 s THR 120 Ca 0.93 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 60.52 1ub6 s THR 120 Cb -0.38 -2.17 0.12 0.00 1.34 0.00 0.00 72.50 71.42 1ub6 s THR 120 CO 0.38 0.55 1.10 -2.16 -0.54 0.00 0.00 174.62 173.95 1ub6 s PRO 121 N -0.84 1.35 0.23 3.99 0.04 -1.26 -3.04 135.00 135.47 1ub6 s PRO 121 Ca 0.12 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 1ub6 s PRO 121 Cb -0.11 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 1ub6 s PRO 121 CO 0.01 -2.26 0.65 -1.25 0.04 0.00 0.00 177.00 174.20 1ub6 s PRO 122 N -4.82 4.05 -0.31 0.56 0.04 -1.26 -4.15 135.00 129.11 1ub6 s PRO 122 Ca 0.64 0.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 1ub6 s PRO 122 Cb -0.19 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 1ub6 s PRO 122 CO 0.58 0.35 0.30 -1.12 0.04 0.00 0.00 177.00 177.14 1ub6 s SER 123 N -1.92 6.14 -0.24 6.66 0.01 0.23 -4.95 113.70 119.63 1ub6 s SER 123 Ca 0.45 -0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.53 1ub6 s SER 123 Cb -0.14 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 1ub6 s SER 123 CO 0.20 -0.21 0.21 -0.69 0.41 0.00 0.00 173.24 173.16 1ub6 s VAL 124 N 1.92 5.32 -0.11 3.43 1.01 -1.26 -1.67 120.40 129.05 1ub6 s VAL 124 Ca 0.11 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1ub6 s VAL 124 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1ub6 s VAL 124 CO 0.11 0.32 -0.23 -0.31 0.00 0.00 0.00 175.10 174.99 1ub6 s TYR 125 N 1.16 2.55 0.26 5.22 2.02 0.16 -4.96 117.35 123.76 1ub6 s TYR 125 Ca 0.10 -1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 55.37 1ub6 s TYR 125 Cb -0.14 -1.72 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 1ub6 s TYR 125 CO 0.06 -0.48 1.07 -1.25 -1.57 0.00 0.00 175.55 173.37 1ub6 s PRO 126 N 0.52 4.68 -0.44 -1.71 0.04 -1.26 0.58 135.00 137.42 1ub6 s PRO 126 Ca -0.15 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 1ub6 s PRO 126 Cb -0.17 -3.22 0.12 0.00 0.04 0.00 0.00 34.50 31.27 1ub6 s PRO 126 CO 0.05 0.27 0.21 0.00 0.04 0.00 0.00 177.00 177.57 1ub6 s ALA 127 N -1.09 3.18 0.19 8.56 0.00 0.33 -4.86 121.76 128.06 1ub6 s ALA 127 Ca 0.44 -2.73 0.10 0.00 0.00 0.00 0.00 51.96 49.77 1ub6 s ALA 127 Cb -0.30 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1ub6 s ALA 127 CO 0.39 -1.85 -0.21 0.00 0.00 0.00 0.00 175.76 174.09 1ub6 s ALA 128 N 0.73 2.33 -0.03 0.00 0.00 -1.26 -1.38 121.76 122.16 1ub6 s ALA 128 Ca 0.11 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.18 1ub6 s ALA 128 Cb -0.22 -0.26 -0.08 0.00 0.00 0.00 0.00 23.12 22.56 1ub6 s ALA 128 CO -0.05 0.34 2.02 -1.25 0.00 0.00 0.00 175.76 176.83 1ub6 s PRO 129 N -2.78 3.90 0.00 0.00 0.04 -1.26 -4.99 135.00 129.91 1ub6 s PRO 129 Ca 0.19 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1ub6 s PRO 129 Cb -0.07 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1ub6 s PRO 129 CO 0.09 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1ub6 n GLY 130 N 4.83 -0.59 3.49 0.56 0.00 -1.26 -4.98 105.19 107.24 1ub6 n GLY 130 Ca 0.22 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1ub6 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub6 n GLY 132 N 5.00 0.04 3.32 0.00 0.00 -1.26 -5.12 105.19 107.17 1ub6 n GLY 132 Ca -0.14 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1ub6 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ub6 s ASP 133 N -1.96 -0.41 -0.21 1.61 1.01 -1.26 -5.11 116.67 110.34 1ub6 s ASP 133 Ca 0.00 0.68 -0.28 0.00 0.71 0.00 0.00 52.55 53.65 1ub6 s ASP 133 Cb 0.00 0.73 -0.05 0.00 1.01 0.00 0.00 42.92 44.61 1ub6 s ASP 133 CO 0.00 -0.25 2.08 0.28 0.21 0.00 0.00 175.17 177.48 1ub6 s THR 134 N -0.24 3.14 0.00 -1.27 -1.32 -1.26 -4.90 115.64 109.78 1ub6 s THR 134 Ca -0.04 0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1ub6 s THR 134 Cb -0.03 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 1ub6 s THR 134 CO 0.02 -0.10 0.00 0.35 -2.21 0.00 0.00 174.62 172.69 1ub6 n THR 135 N 7.35 0.00 0.00 5.08 -2.24 -1.26 -4.94 114.28 118.27 1ub6 n THR 135 Ca 0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1ub6 n THR 135 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1ub6 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ub6 n GLY 136 N 3.52 2.22 3.52 3.38 0.00 -1.26 -4.75 105.19 111.82 1ub6 n GLY 136 Ca 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1ub6 n GLY 136 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ub6 n SER 137 N 9.95 0.96 -2.20 1.61 2.88 -1.26 -0.91 113.62 124.65 1ub6 n SER 137 Ca 0.00 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1ub6 n SER 137 Cb 0.00 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 1ub6 n SER 137 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ub6 n SER 138 N 12.76 -8.14 -4.53 -3.46 7.64 -1.25 -4.86 113.62 111.79 1ub6 n SER 138 Ca 0.54 1.60 -0.27 0.00 1.01 0.00 0.00 58.87 61.76 1ub6 n SER 138 Cb 0.27 -4.72 -0.10 0.00 -1.01 0.00 0.00 64.21 58.65 1ub6 n SER 138 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ub6 s VAL 139 N -0.50 2.96 -0.36 0.44 0.11 0.17 -4.87 120.40 118.35 1ub6 s VAL 139 Ca 0.00 -1.79 -0.12 0.00 -2.93 0.00 0.00 61.98 57.14 1ub6 s VAL 139 Cb 0.00 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 1ub6 s VAL 139 CO 0.00 -0.13 0.23 -0.89 -3.33 0.00 0.00 175.10 170.98 1ub6 s THR 140 N -1.74 4.97 0.23 5.04 2.01 -1.26 -2.33 115.64 122.55 1ub6 s THR 140 Ca 0.24 -0.50 0.09 0.00 0.31 0.00 0.00 61.69 61.83 1ub6 s THR 140 Cb -0.08 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1ub6 s THR 140 CO 0.14 -0.11 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.17 1ub6 s LEU 141 N 1.65 3.13 0.13 4.42 1.43 0.33 -4.68 118.68 125.08 1ub6 s LEU 141 Ca 0.05 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 1ub6 s LEU 141 Cb -0.18 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.40 1ub6 s LEU 141 CO 0.09 0.04 1.01 -0.83 0.23 0.00 0.00 176.35 176.89 1ub6 s GLY 142 N -3.35 -0.26 -0.06 -3.19 0.00 -0.48 0.14 107.32 100.12 1ub6 s GLY 142 Ca 0.29 0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.26 1ub6 s GLY 142 CO 0.18 0.02 -0.12 0.00 0.00 0.00 0.00 173.10 173.19 1ub6 s LEU 144 N 0.61 4.20 -0.28 0.00 2.96 0.20 -1.88 118.68 124.49 1ub6 s LEU 144 Ca -0.13 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1ub6 s LEU 144 Cb -0.15 -2.24 0.07 0.00 0.50 0.00 0.00 46.19 44.37 1ub6 s LEU 144 CO 0.03 0.11 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.41 1ub6 s VAL 145 N 0.61 2.14 0.21 1.68 1.01 0.09 0.39 120.40 126.54 1ub6 s VAL 145 Ca 0.12 -1.77 0.03 0.00 0.00 0.00 0.00 61.98 60.35 1ub6 s VAL 145 Cb -0.12 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1ub6 s VAL 145 CO 0.02 -0.17 0.01 -1.59 0.00 0.00 0.00 175.10 173.37 1ub6 s LYS 146 N 1.08 1.26 0.00 2.72 -2.85 -0.67 -0.73 119.74 120.55 1ub6 s LYS 146 Ca -0.04 -1.63 0.00 0.00 -1.00 0.00 0.00 55.97 53.30 1ub6 s LYS 146 Cb -0.20 -0.45 0.00 0.00 -2.06 0.00 0.00 37.83 35.12 1ub6 s LYS 146 CO -0.06 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1ub6 n GLY 147 N -0.36 0.41 3.61 0.59 0.00 -1.01 -0.60 105.19 107.83 1ub6 n GLY 147 Ca -0.05 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 1ub6 n GLY 147 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ub6 s TYR 148 N -2.00 2.56 0.00 1.61 1.13 -1.18 -4.58 117.35 114.89 1ub6 s TYR 148 Ca 0.00 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 1ub6 s TYR 148 Cb 0.00 -1.26 0.00 0.00 -1.10 0.00 0.00 41.96 39.60 1ub6 s TYR 148 CO 0.00 0.58 0.00 0.34 -2.51 0.00 0.00 175.55 173.96 1ub6 n PHE 149 N -0.87 0.00 -1.50 -3.49 7.35 -1.17 0.57 117.46 118.36 1ub6 n PHE 149 Ca -0.05 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.23 1ub6 n PHE 149 Cb 0.60 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.31 1ub6 n PHE 149 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ub6 n PRO 150 N -0.80 0.22 -0.32 -7.13 -0.04 -1.26 -4.65 135.00 121.03 1ub6 n PRO 150 Ca 0.00 0.01 0.24 0.00 -0.04 0.00 0.00 63.50 63.70 1ub6 n PRO 150 Cb 0.00 -1.89 0.44 0.00 -0.04 0.00 0.00 33.50 32.02 1ub6 n PRO 150 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ub6 n GLU 151 N 8.54 -0.07 -1.50 0.54 2.13 -1.26 -4.48 120.64 124.55 1ub6 n GLU 151 Ca 0.60 1.37 -0.41 0.00 0.66 0.00 0.00 57.16 59.38 1ub6 n GLU 151 Cb 0.13 -2.34 -0.12 0.00 0.27 0.00 0.00 31.44 29.38 1ub6 n GLU 151 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ub6 n SER 152 N -5.28 0.83 -3.78 4.31 3.41 -1.26 -4.86 113.62 106.98 1ub6 n SER 152 Ca 0.31 0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1ub6 n SER 152 Cb 1.02 -1.08 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 1ub6 n SER 152 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ub6 s VAL 153 N 9.59 0.00 -0.04 -3.33 0.11 -1.26 -4.56 120.40 120.92 1ub6 s VAL 153 Ca 1.26 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 60.29 1ub6 s VAL 153 Cb -1.01 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 33.47 1ub6 s VAL 153 CO 0.44 -0.02 -0.09 0.28 -3.33 0.00 0.00 175.10 172.38 1ub6 s THR 154 N 0.04 0.83 -0.10 5.04 -1.32 -0.40 -4.99 115.64 114.74 1ub6 s THR 154 Ca -0.01 -0.34 -0.03 0.00 -1.21 0.00 0.00 61.69 60.11 1ub6 s THR 154 Cb -0.02 -0.77 -0.03 0.00 -1.51 0.00 0.00 72.50 70.17 1ub6 s THR 154 CO 0.01 0.28 0.00 -0.69 -2.21 0.00 0.00 174.62 172.00 1ub6 s VAL 155 N 0.52 4.30 -0.03 5.08 1.01 -1.26 -0.18 120.40 129.83 1ub6 s VAL 155 Ca -0.09 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1ub6 s VAL 155 Cb -0.12 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1ub6 s VAL 155 CO 0.01 0.58 -0.07 -0.89 0.00 0.00 0.00 175.10 174.74 1ub6 s THR 156 N -0.62 0.64 -0.49 3.92 2.01 0.69 -4.94 115.64 116.85 1ub6 s THR 156 Ca 0.10 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 1ub6 s THR 156 Cb -0.12 -0.60 0.13 0.00 0.01 0.00 0.00 72.50 71.92 1ub6 s THR 156 CO 0.02 0.22 0.35 0.26 -0.69 0.00 0.00 174.62 174.78 1ub6 s TRP 157 N 0.46 3.47 0.00 4.92 0.52 -1.26 0.18 118.94 127.23 1ub6 s TRP 157 Ca -0.06 -2.07 0.00 0.00 0.02 0.00 0.00 56.10 53.99 1ub6 s TRP 157 Cb -0.10 -3.43 0.00 0.00 -1.15 0.00 0.00 33.47 28.78 1ub6 s TRP 157 CO 0.00 -0.98 0.00 0.09 0.02 0.00 0.00 176.95 176.09 1ub6 n ASN 158 N 4.67 0.00 -0.11 2.95 3.02 -1.12 -1.96 115.26 122.71 1ub6 n ASN 158 Ca -0.04 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.49 1ub6 n ASN 158 Cb 0.41 -2.03 -0.01 0.00 -0.61 0.00 0.00 39.78 37.54 1ub6 n ASN 158 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ub6 n SER 159 N 0.00 -3.26 -3.04 6.41 7.64 -1.26 -4.96 113.62 115.15 1ub6 n SER 159 Ca 0.00 0.03 -0.18 0.00 1.01 0.00 0.00 58.87 59.73 1ub6 n SER 159 Cb 0.00 -0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 1ub6 n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ub6 n GLY 160 N -2.70 1.82 3.17 0.23 0.00 -0.83 -5.12 105.19 101.76 1ub6 n GLY 160 Ca -0.01 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1ub6 n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ub6 s GLY 161 N -1.30 1.10 0.00 -0.02 0.00 -1.26 -4.96 107.32 100.88 1ub6 s GLY 161 Ca 0.34 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1ub6 s GLY 161 CO -0.16 -0.34 0.00 1.44 0.00 0.00 0.00 173.10 174.04 1ub6 n SER 164 N 3.32 4.85 -2.04 1.64 7.64 -1.26 -4.61 113.62 123.15 1ub6 n SER 164 Ca -0.19 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.48 1ub6 n SER 164 Cb 0.53 0.85 0.18 0.00 -1.01 0.00 0.00 64.21 64.75 1ub6 n SER 164 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ub6 n SER 165 N -1.58 3.54 -4.84 6.43 3.41 -1.26 -4.98 113.62 114.32 1ub6 n SER 165 Ca 0.00 -3.65 -0.32 0.00 -0.26 0.00 0.00 58.87 54.64 1ub6 n SER 165 Cb 0.12 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.22 1ub6 n SER 165 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ub6 s VAL 166 N -3.30 4.59 -0.36 -3.33 1.01 -1.26 -3.45 120.40 114.30 1ub6 s VAL 166 Ca 0.55 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.63 1ub6 s VAL 166 Cb 0.47 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 33.35 1ub6 s VAL 166 CO 0.09 -0.37 0.29 -1.00 0.00 0.00 0.00 175.10 174.11 1ub6 s HIS 167 N -2.22 0.26 -0.33 5.22 3.76 0.16 -4.99 115.29 117.15 1ub6 s HIS 167 Ca 0.57 -1.28 -0.21 0.00 -0.15 0.00 0.00 55.06 53.99 1ub6 s HIS 167 Cb -0.10 -0.68 -0.00 0.00 1.11 0.00 0.00 32.58 32.91 1ub6 s HIS 167 CO 0.21 -0.89 0.65 0.99 -0.85 0.00 0.00 174.74 174.84 1ub6 s THR 168 N 1.20 4.90 0.18 1.30 2.01 -1.26 -1.53 115.64 122.45 1ub6 s THR 168 Ca 0.18 0.76 -0.18 0.00 0.31 0.00 0.00 61.69 62.76 1ub6 s THR 168 Cb -0.19 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 1ub6 s THR 168 CO -0.01 -0.23 0.65 -0.36 -0.69 0.00 0.00 174.62 173.99 1ub6 s PHE 169 N 2.69 3.66 0.50 4.92 0.08 -0.61 -5.02 117.98 124.20 1ub6 s PHE 169 Ca 0.25 1.28 -0.23 0.00 0.12 0.00 0.00 56.93 58.36 1ub6 s PHE 169 Cb -0.15 -2.53 -0.07 0.00 -0.57 0.00 0.00 43.02 39.70 1ub6 s PHE 169 CO 0.13 0.40 1.24 -2.30 -0.10 0.00 0.00 175.22 174.59 1ub6 n PRO 170 N 0.88 1.62 -2.73 0.24 -0.02 -1.26 -4.32 135.00 129.42 1ub6 n PRO 170 Ca -0.04 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 1ub6 n PRO 170 Cb 0.51 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 1ub6 n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ub6 s ALA 171 N -1.30 3.27 -0.05 3.55 0.00 -1.26 -4.76 121.76 121.22 1ub6 s ALA 171 Ca 0.68 0.60 0.02 0.00 0.00 0.00 0.00 51.96 53.25 1ub6 s ALA 171 Cb -0.46 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1ub6 s ALA 171 CO 0.52 0.03 -0.08 -0.51 0.00 0.00 0.00 175.76 175.73 1ub6 s LEU 172 N -0.33 3.13 -0.11 0.00 1.43 -0.37 -4.89 118.68 117.54 1ub6 s LEU 172 Ca 0.45 -0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.27 1ub6 s LEU 172 Cb -0.24 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1ub6 s LEU 172 CO 0.31 0.35 0.69 -0.22 0.23 0.00 0.00 176.35 177.70 1ub6 s LEU 173 N -0.92 4.25 -0.09 1.79 2.96 -1.26 -1.20 118.68 124.22 1ub6 s LEU 173 Ca 0.13 1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 55.11 1ub6 s LEU 173 Cb -0.11 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.57 1ub6 s LEU 173 CO 0.02 -0.19 -0.00 -1.58 -1.32 0.00 0.00 176.35 173.28 1ub6 s GLN 174 N 1.24 0.72 -1.42 1.98 0.74 0.16 -4.82 119.66 118.25 1ub6 s GLN 174 Ca 0.35 0.01 -0.08 0.00 0.05 0.00 0.00 55.36 55.69 1ub6 s GLN 174 Cb -0.17 -1.16 0.05 0.00 1.10 0.00 0.00 33.01 32.83 1ub6 s GLN 174 CO 0.15 -0.33 0.64 0.43 -0.55 0.00 0.00 175.29 175.62 1ub6 n SER 175 N 5.11 -4.83 0.00 6.67 7.64 -1.26 -0.82 113.62 126.13 1ub6 n SER 175 Ca -0.08 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1ub6 n SER 175 Cb 0.50 -3.93 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 1ub6 n SER 175 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ub6 n GLY 176 N -1.41 2.40 3.66 0.23 0.00 -1.26 -5.02 105.19 103.78 1ub6 n GLY 176 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1ub6 n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub6 s LEU 177 N 0.00 3.39 0.13 0.99 1.43 -0.00 -4.84 118.68 119.78 1ub6 s LEU 177 Ca 0.00 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 1ub6 s LEU 177 Cb 0.00 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 1ub6 s LEU 177 CO 0.00 0.25 0.55 -0.31 0.23 0.00 0.00 176.35 177.06 1ub6 s TYR 178 N -1.13 3.63 -0.03 0.29 2.02 0.19 0.37 117.35 122.69 1ub6 s TYR 178 Ca 0.21 1.08 -0.01 0.00 -0.37 0.00 0.00 57.07 57.98 1ub6 s TYR 178 Cb -0.11 -2.38 0.03 0.00 -0.40 0.00 0.00 41.96 39.10 1ub6 s TYR 178 CO 0.12 0.45 0.03 0.99 -1.57 0.00 0.00 175.55 175.58 1ub6 s THR 179 N -1.41 -0.02 0.04 -0.71 2.01 -0.34 -2.39 115.64 112.81 1ub6 s THR 179 Ca 0.36 0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.59 1ub6 s THR 179 Cb -0.16 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1ub6 s THR 179 CO 0.19 0.13 0.02 0.00 -0.69 0.00 0.00 174.62 174.27 1ub6 s MET 180 N 1.41 0.57 0.27 4.92 0.23 0.09 -1.24 119.30 125.55 1ub6 s MET 180 Ca -0.05 -0.97 0.07 0.00 -1.03 0.00 0.00 55.69 53.71 1ub6 s MET 180 Cb -0.13 0.21 -0.06 0.00 -1.53 0.00 0.00 34.83 33.33 1ub6 s MET 180 CO -0.03 -0.12 -0.07 -1.54 -2.03 0.00 0.00 175.02 171.23 1ub6 s SER 181 N -2.45 2.76 -0.14 -1.18 1.04 -1.26 -0.73 113.70 111.74 1ub6 s SER 181 Ca -0.00 -1.18 -0.06 0.00 0.48 0.00 0.00 55.95 55.19 1ub6 s SER 181 Cb 0.02 -0.17 0.06 0.00 0.10 0.00 0.00 66.02 66.04 1ub6 s SER 181 CO -0.07 -0.32 0.30 -0.55 0.98 0.00 0.00 173.24 173.57 1ub6 s SER 182 N -3.43 0.03 0.13 7.02 0.15 -0.79 -1.57 113.70 115.25 1ub6 s SER 182 Ca 0.29 0.67 0.07 0.00 0.70 0.00 0.00 55.95 57.68 1ub6 s SER 182 Cb 0.03 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 65.05 1ub6 s SER 182 CO 0.12 -0.22 -0.03 -0.94 1.20 0.00 0.00 173.24 173.37 1ub6 s SER 183 N 2.09 4.73 0.14 5.45 1.04 -0.58 -1.01 113.70 125.55 1ub6 s SER 183 Ca -0.03 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1ub6 s SER 183 Cb -0.11 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.95 1ub6 s SER 183 CO -0.10 0.13 -0.02 0.54 0.98 0.00 0.00 173.24 174.78 1ub6 s VAL 184 N -1.49 0.60 -0.08 5.02 0.11 0.37 -0.66 120.40 124.28 1ub6 s VAL 184 Ca 0.25 -1.95 -0.05 0.00 -2.93 0.00 0.00 61.98 57.31 1ub6 s VAL 184 Cb -0.10 -1.93 0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1ub6 s VAL 184 CO 0.17 -0.64 0.19 0.42 -3.33 0.00 0.00 175.10 171.91 1ub6 s THR 185 N -3.70 -0.03 0.05 5.04 -4.23 -1.22 -0.52 115.64 111.03 1ub6 s THR 185 Ca 0.19 0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 1ub6 s THR 185 Cb 0.06 -0.29 0.02 0.00 1.34 0.00 0.00 72.50 73.63 1ub6 s THR 185 CO -0.00 0.05 0.30 0.68 -0.54 0.00 0.00 174.62 175.11 1ub6 s VAL 186 N 0.84 0.08 0.43 2.29 -7.23 -0.99 -4.79 120.40 111.04 1ub6 s VAL 186 Ca -0.06 -0.70 -0.24 0.00 -1.81 0.00 0.00 61.98 59.17 1ub6 s VAL 186 Cb -0.08 -0.96 -0.08 0.00 0.56 0.00 0.00 36.38 35.82 1ub6 s VAL 186 CO -0.05 -0.39 1.16 -2.16 -0.31 0.00 0.00 175.10 173.36 1ub6 s PRO 187 N -2.65 3.91 0.57 4.82 0.04 -1.26 0.43 135.00 140.86 1ub6 s PRO 187 Ca -0.04 1.79 0.29 0.00 0.04 0.00 0.00 61.00 63.07 1ub6 s PRO 187 Cb -0.01 -2.53 1.69 0.00 0.04 0.00 0.00 34.50 33.69 1ub6 s PRO 187 CO -0.04 -0.42 2.19 1.03 0.04 0.00 0.00 177.00 179.79 1ub6 h SER 188 N 2.33 0.00 -0.08 6.66 0.87 -1.36 -1.24 113.55 120.73 1ub6 h SER 188 Ca -0.49 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.09 1ub6 h SER 188 Cb 1.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1ub6 h SER 188 CO 0.61 0.05 0.24 0.77 -0.53 0.00 0.00 176.83 177.97 1ub6 h SER 189 N 0.00 0.00 0.00 6.23 4.64 -1.91 0.11 113.55 122.62 1ub6 h SER 189 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ub6 h SER 189 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ub6 h SER 189 CO 0.01 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.04 1ub6 n THR 190 N -3.20 0.00 -0.24 2.95 5.66 -0.54 -4.78 114.28 114.12 1ub6 n THR 190 Ca -0.01 -0.47 0.04 0.00 -3.05 0.00 0.00 64.05 60.57 1ub6 n THR 190 Cb 0.32 1.04 0.15 0.00 -1.55 0.00 0.00 70.33 70.30 1ub6 n THR 190 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 1ub6 h TRP 191 N 0.00 0.00 0.00 1.09 2.91 -0.00 -2.16 115.95 117.79 1ub6 h TRP 191 Ca 0.00 0.05 -0.15 0.00 1.13 0.00 0.00 58.89 59.92 1ub6 h TRP 191 Cb 0.02 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.73 1ub6 h TRP 191 CO 0.00 -0.20 -0.26 -0.35 -1.03 0.00 0.00 178.44 176.60 1ub6 n PRO 192 N -5.30 1.68 -0.92 2.65 -0.04 -1.26 -3.88 135.00 127.93 1ub6 n PRO 192 Ca 0.13 -0.79 0.05 0.00 -0.04 0.00 0.00 63.50 62.84 1ub6 n PRO 192 Cb 0.45 -1.85 0.10 0.00 -0.04 0.00 0.00 33.50 32.16 1ub6 n PRO 192 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ub6 n SER 193 N 2.45 1.29 -2.43 3.54 7.64 -0.81 -5.08 113.62 120.21 1ub6 n SER 193 Ca 0.34 -2.82 -0.02 0.00 1.01 0.00 0.00 58.87 57.39 1ub6 n SER 193 Cb 0.78 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1ub6 n SER 193 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ub6 n THR 195 N -0.35-13.04 -3.82 0.44 -2.24 -1.25 -5.01 114.28 89.02 1ub6 n THR 195 Ca 0.11 3.01 -0.36 0.00 -2.27 0.00 0.00 64.05 64.55 1ub6 n THR 195 Cb 0.88 -6.13 -0.13 0.00 -2.10 0.00 0.00 70.33 62.85 1ub6 n THR 195 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ub6 s VAL 196 N -0.60 3.90 -0.04 2.28 1.01 -1.26 -5.04 120.40 120.65 1ub6 s VAL 196 Ca -0.08 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1ub6 s VAL 196 Cb 0.01 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1ub6 s VAL 196 CO 0.21 0.35 -0.10 0.28 0.00 0.00 0.00 175.10 175.84 1ub6 s THR 197 N 1.55 0.93 -0.15 3.92 -1.32 -1.26 -0.08 115.64 119.23 1ub6 s THR 197 Ca 0.06 -0.41 -0.06 0.00 -1.21 0.00 0.00 61.69 60.07 1ub6 s THR 197 Cb -0.15 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1ub6 s THR 197 CO 0.01 0.29 0.04 0.00 -2.21 0.00 0.00 174.62 172.75 1ub6 s SER 199 N 0.03 5.18 -0.31 0.00 0.15 0.49 -2.24 113.70 117.00 1ub6 s SER 199 Ca 0.04 -1.23 -0.15 0.00 0.70 0.00 0.00 55.95 55.31 1ub6 s SER 199 Cb -0.12 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.34 1ub6 s SER 199 CO 0.01 -0.32 0.38 -0.69 1.20 0.00 0.00 173.24 173.82 1ub6 s VAL 200 N 1.34 5.16 -0.06 4.45 1.01 0.11 -0.22 120.40 132.19 1ub6 s VAL 200 Ca -0.02 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1ub6 s VAL 200 Cb -0.20 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1ub6 s VAL 200 CO 0.01 0.01 0.02 0.00 0.00 0.00 0.00 175.10 175.15 1ub6 s ALA 201 N 2.08 3.37 -0.45 5.51 0.00 0.75 -0.45 121.76 132.57 1ub6 s ALA 201 Ca 0.14 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1ub6 s ALA 201 Cb -0.16 -1.49 0.23 0.00 0.00 0.00 0.00 23.12 21.70 1ub6 s ALA 201 CO 0.11 0.62 0.67 1.58 0.00 0.00 0.00 175.76 178.74 1ub6 n HIS 202 N 1.81 -2.02 -0.32 0.00 -0.00 -0.15 -1.27 115.22 113.27 1ub6 n HIS 202 Ca -0.17 -2.56 0.14 0.00 -0.00 0.00 0.00 57.72 55.13 1ub6 n HIS 202 Cb 0.53 0.69 0.29 0.00 -0.00 0.00 0.00 29.99 31.51 1ub6 n HIS 202 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ub6 h PRO 203 N 4.29 0.06 0.00 1.57 0.13 -1.80 0.17 132.00 136.42 1ub6 h PRO 203 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ub6 h PRO 203 Cb 0.97 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ub6 h PRO 203 CO 0.35 0.04 0.02 0.00 -0.23 0.00 0.00 178.00 178.18 1ub6 n ALA 204 N -2.96 1.16 -0.14 -0.56 0.00 -1.26 0.11 120.51 116.86 1ub6 n ALA 204 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ub6 n ALA 204 Cb 0.74 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1ub6 n ALA 204 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ub6 n SER 205 N -1.12 0.24 -2.31 0.00 2.88 0.55 -4.92 113.62 108.94 1ub6 n SER 205 Ca 0.00 -0.58 -0.20 0.00 -1.33 0.00 0.00 58.87 56.76 1ub6 n SER 205 Cb 0.02 0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 1ub6 n SER 205 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ub6 n GLY 206 N 0.39 -0.39 3.46 0.46 0.00 0.30 -4.94 105.19 104.47 1ub6 n GLY 206 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1ub6 n GLY 206 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ub6 s THR 207 N -3.01 2.69 -0.19 2.61 2.01 -1.17 -4.98 115.64 113.60 1ub6 s THR 207 Ca 0.00 -1.54 -0.04 0.00 0.31 0.00 0.00 61.69 60.42 1ub6 s THR 207 Cb 0.00 -2.22 0.09 0.00 0.01 0.00 0.00 72.50 70.38 1ub6 s THR 207 CO 0.00 0.12 0.23 -0.89 -0.69 0.00 0.00 174.62 173.39 1ub6 s THR 208 N -1.10 -0.34 -0.10 -0.82 2.01 -1.26 -0.98 115.64 113.05 1ub6 s THR 208 Ca 0.17 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1ub6 s THR 208 Cb -0.10 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1ub6 s THR 208 CO 0.09 -0.14 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.13 1ub6 s VAL 209 N 2.34 3.80 -0.07 3.82 1.01 0.40 -4.94 120.40 126.75 1ub6 s VAL 209 Ca 0.06 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1ub6 s VAL 209 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1ub6 s VAL 209 CO -0.11 0.56 -0.11 -1.81 0.00 0.00 0.00 175.10 173.63 1ub6 s ASP 210 N -0.37 1.84 -0.10 3.32 1.11 -1.26 0.08 116.67 121.28 1ub6 s ASP 210 Ca 0.06 -0.30 -0.00 0.00 0.18 0.00 0.00 52.55 52.49 1ub6 s ASP 210 Cb -0.12 -0.82 0.02 0.00 1.07 0.00 0.00 42.92 43.07 1ub6 s ASP 210 CO 0.02 0.00 -0.07 -0.54 1.18 0.00 0.00 175.17 175.76 1ub6 s LYS 211 N 0.88 1.40 -0.29 8.23 1.02 -0.95 -4.99 119.74 125.04 1ub6 s LYS 211 Ca -0.11 -0.22 -0.23 0.00 0.02 0.00 0.00 55.97 55.44 1ub6 s LYS 211 Cb -0.15 -1.47 -0.00 0.00 -0.52 0.00 0.00 37.83 35.69 1ub6 s LYS 211 CO 0.01 -0.24 0.76 0.15 -0.92 0.00 0.00 175.35 175.11 1ub6 s LYS 212 N 1.62 4.00 0.36 1.68 1.02 -1.26 -2.38 119.74 124.77 1ub6 s LYS 212 Ca 0.03 0.59 -0.28 0.00 0.02 0.00 0.00 55.97 56.33 1ub6 s LYS 212 Cb -0.13 -3.71 -0.10 0.00 -0.52 0.00 0.00 37.83 33.37 1ub6 s LYS 212 CO -0.06 -0.62 1.34 -0.51 -0.92 0.00 0.00 175.35 174.57 1ub6 s LEU 213 N 2.86 4.36 0.00 3.17 1.02 0.89 -4.96 118.68 126.02 1ub6 s LEU 213 Ca 0.31 2.75 0.00 0.00 0.02 0.00 0.00 54.13 57.21 1ub6 s LEU 213 Cb -0.14 -3.71 0.00 0.00 0.02 0.00 0.00 46.19 42.36 1ub6 s LEU 213 CO 0.11 -0.66 0.00 -0.62 0.02 0.00 0.00 176.35 175.20