#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubu s MET 2 N 0.00 1.13 0.00 3.23 -2.45 -1.26 -4.84 119.30 115.11 1ubu s MET 2 Ca 0.00 -0.73 0.00 0.00 -1.25 0.00 0.00 55.69 53.71 1ubu s MET 2 Cb 0.00 0.31 0.00 0.00 1.25 0.00 0.00 34.83 36.39 1ubu s MET 2 CO 0.00 -0.53 0.00 0.41 1.05 0.00 0.00 175.02 175.95 1ubu n GLY 3 N -0.77 -1.71 0.00 2.11 0.00 -1.26 -5.09 105.19 98.47 1ubu n GLY 3 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1ubu n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ubu n PRO 4 N 0.00 3.27 0.00 1.61 -0.02 -1.26 -4.67 135.00 133.93 1ubu n PRO 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ubu n PRO 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1ubu n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ubu n ARG 5 N 0.00 0.00 -3.64 -0.52 5.12 -1.26 -4.56 116.66 111.80 1ubu n ARG 5 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 1ubu n ARG 5 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 1ubu n ARG 5 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1ubu s ARG 6 N -3.84 3.71 0.26 5.56 0.52 -1.26 -5.03 118.95 118.86 1ubu s ARG 6 Ca 0.00 0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 1ubu s ARG 6 Cb 0.00 -3.08 -0.10 0.00 0.52 0.00 0.00 34.95 32.28 1ubu s ARG 6 CO 0.00 0.63 1.45 -1.25 0.02 0.00 0.00 175.30 176.15 1ubu s PRO 7 N -1.62 4.26 0.00 3.54 0.04 -1.26 -4.42 135.00 135.54 1ubu s PRO 7 Ca 0.28 2.33 -0.30 0.00 0.04 0.00 0.00 61.00 63.34 1ubu s PRO 7 Cb -0.14 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1ubu s PRO 7 CO 0.15 -0.43 1.02 0.45 0.04 0.00 0.00 177.00 178.24 1ubu s SER 8 N 0.31 7.31 -0.11 6.66 0.15 -1.26 -0.11 113.70 126.65 1ubu s SER 8 Ca 0.59 1.72 0.03 0.00 0.70 0.00 0.00 55.95 58.99 1ubu s SER 8 Cb -0.42 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 1ubu s SER 8 CO 0.45 -0.31 -0.22 -0.69 1.20 0.00 0.00 173.24 173.67 1ubu s VAL 9 N 1.09 2.21 -0.25 4.45 1.01 0.31 -0.52 120.40 128.71 1ubu s VAL 9 Ca 0.53 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1ubu s VAL 9 Cb -0.22 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1ubu s VAL 9 CO 0.28 0.55 0.03 -0.69 0.00 0.00 0.00 175.10 175.26 1ubu s VAL 10 N 0.47 3.86 -0.24 2.92 1.01 0.20 -0.82 120.40 127.81 1ubu s VAL 10 Ca -0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1ubu s VAL 10 Cb -0.17 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1ubu s VAL 10 CO 0.06 0.32 -0.00 -0.47 0.00 0.00 0.00 175.10 175.00 1ubu s TYR 11 N 1.54 3.01 -0.00 5.22 5.04 -0.54 -0.93 117.35 130.69 1ubu s TYR 11 Ca 0.05 -0.83 0.02 0.00 -2.44 0.00 0.00 57.07 53.88 1ubu s TYR 11 Cb -0.15 -2.15 -0.03 0.00 0.35 0.00 0.00 41.96 39.97 1ubu s TYR 11 CO 0.01 -0.51 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.16 1ubu s LEU 12 N 1.51 3.32 -0.25 6.97 1.43 -0.14 -4.17 118.68 127.34 1ubu s LEU 12 Ca 0.05 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1ubu s LEU 12 Cb -0.15 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1ubu s LEU 12 CO -0.01 0.29 -0.07 -1.00 0.23 0.00 0.00 176.35 175.79 1ubu s HIS 13 N -1.02 3.09 0.00 0.29 3.76 -1.26 -0.77 115.29 119.38 1ubu s HIS 13 Ca 0.18 -1.70 0.00 0.00 -0.15 0.00 0.00 55.06 53.39 1ubu s HIS 13 Cb -0.11 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1ubu s HIS 13 CO 0.08 -0.76 0.00 0.09 -0.85 0.00 0.00 174.74 173.30 1ubu n ASN 14 N 4.63 0.00 -4.43 1.40 3.02 0.03 -4.96 115.26 114.95 1ubu n ASN 14 Ca -0.16 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.95 1ubu n ASN 14 Cb 0.46 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 1ubu n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ubu s ALA 15 N -2.97 3.33 0.14 5.41 0.00 -0.07 -4.89 121.76 122.71 1ubu s ALA 15 Ca 0.00 -1.87 -0.14 0.00 0.00 0.00 0.00 51.96 49.95 1ubu s ALA 15 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1ubu s ALA 15 CO 0.00 -2.29 0.37 -1.83 0.00 0.00 0.00 175.76 172.01 1ubu s GLU 16 N 3.03 1.12 0.00 0.00 4.04 -1.26 -1.44 118.70 124.18 1ubu s GLU 16 Ca 0.17 -0.87 0.18 0.00 0.04 0.00 0.00 54.97 54.49 1ubu s GLU 16 Cb -0.20 0.44 0.03 0.00 0.02 0.00 0.00 34.13 34.43 1ubu s GLU 16 CO 0.10 -0.43 0.95 0.00 -1.84 0.00 0.00 175.26 174.04 1ubu n THR 18 N 0.20 0.00 0.04 0.00 -1.04 -1.26 -4.88 114.28 107.34 1ubu n THR 18 Ca 0.08 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1ubu n THR 18 Cb 0.39 -0.07 0.30 0.00 -1.82 0.00 0.00 70.33 69.14 1ubu n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1ubu h GLY 19 N 0.00 0.44 0.89 3.41 0.00 -1.98 -0.65 103.07 105.18 1ubu h GLY 19 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1ubu h GLY 19 CO 0.00 0.27 -0.23 0.00 0.00 0.00 0.00 176.54 176.58 1ubu h SER 21 N 0.28 0.80 -0.77 0.00 0.02 -1.90 -2.22 113.55 109.76 1ubu h SER 21 Ca 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1ubu h SER 21 Cb 0.78 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1ubu h SER 21 CO 0.06 0.54 0.39 -0.33 -1.14 0.00 0.00 176.83 176.34 1ubu h GLU 22 N 0.94 1.11 -0.52 3.45 4.39 -0.90 -1.84 114.58 121.22 1ubu h GLU 22 Ca 0.33 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.89 1ubu h GLU 22 Cb 0.07 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1ubu h GLU 22 CO -0.13 0.85 0.35 0.66 -1.16 0.00 0.00 179.01 179.57 1ubu h SER 23 N 1.11 0.56 0.26 1.42 4.64 -0.41 -1.29 113.55 119.83 1ubu h SER 23 Ca 0.27 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.47 1ubu h SER 23 Cb 0.09 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1ubu h SER 23 CO -0.04 0.40 -0.45 0.58 -0.87 0.00 0.00 176.83 176.45 1ubu h VAL 24 N 0.65 1.33 0.00 0.95 2.07 -0.97 -0.95 116.25 119.33 1ubu h VAL 24 Ca 0.20 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1ubu h VAL 24 Cb 0.00 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1ubu h VAL 24 CO -0.05 0.48 0.00 -0.07 0.02 0.00 0.00 177.57 177.95 1ubu h LEU 25 N 0.19 0.00 -0.70 2.57 4.07 -1.03 -1.30 115.31 119.11 1ubu h LEU 25 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1ubu h LEU 25 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1ubu h LEU 25 CO 0.07 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.97 1ubu n ARG 26 N -2.99 1.45 -1.59 1.13 5.12 -0.36 -4.69 116.66 114.73 1ubu n ARG 26 Ca -0.02 -0.69 -0.47 0.00 -1.93 0.00 0.00 57.85 54.74 1ubu n ARG 26 Cb 0.13 -1.23 -0.03 0.00 -1.16 0.00 0.00 32.46 30.17 1ubu n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ubu n ALA 27 N 0.00 -0.37 -3.86 7.54 0.00 -0.49 -4.94 120.51 118.39 1ubu n ALA 27 Ca 0.10 0.43 -0.26 0.00 0.00 0.00 0.00 53.44 53.71 1ubu n ALA 27 Cb 0.19 -2.05 -0.17 0.00 0.00 0.00 0.00 19.45 17.42 1ubu n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ubu s PHE 28 N -0.54 1.33 -0.77 0.00 5.36 -1.26 -4.01 117.98 118.08 1ubu s PHE 28 Ca 0.66 -0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 56.00 1ubu s PHE 28 Cb -0.77 -1.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 1ubu s PHE 28 CO 0.55 -0.47 0.65 0.39 -1.46 0.00 0.00 175.22 174.89 1ubu n GLU 29 N 4.92 -1.46 -2.87 10.12 -0.58 -1.26 -4.63 120.64 124.88 1ubu n GLU 29 Ca -0.12 1.17 -0.34 0.00 -0.42 0.00 0.00 57.16 57.45 1ubu n GLU 29 Cb 0.50 -4.08 -0.07 0.00 -0.57 0.00 0.00 31.44 27.22 1ubu n GLU 29 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ubu s PRO 30 N -3.88 4.25 0.72 3.49 0.04 -1.26 -5.18 135.00 133.18 1ubu s PRO 30 Ca 0.01 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 1ubu s PRO 30 Cb -0.00 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1ubu s PRO 30 CO 0.82 0.05 1.10 0.71 0.04 0.00 0.00 177.00 179.72 1ubu s TYR 31 N -2.05 3.21 0.36 0.56 1.51 -1.26 -4.71 117.35 114.97 1ubu s TYR 31 Ca 0.59 0.92 0.16 0.00 -1.01 0.00 0.00 57.07 57.72 1ubu s TYR 31 Cb -0.11 -3.15 0.84 0.00 -0.11 0.00 0.00 41.96 39.42 1ubu s TYR 31 CO 0.15 -1.31 1.86 0.97 -1.11 0.00 0.00 175.55 176.12 1ubu h ILE 32 N -0.71 1.12 -0.30 2.71 6.09 -1.84 -1.38 117.51 123.20 1ubu h ILE 32 Ca -0.45 -1.15 -0.07 0.00 -1.37 0.00 0.00 64.86 61.81 1ubu h ILE 32 Cb 1.27 1.64 -0.01 0.00 0.47 0.00 0.00 36.82 40.20 1ubu h ILE 32 CO 0.64 0.32 -0.11 -2.24 -3.07 0.00 0.00 178.15 173.69 1ubu h ASP 33 N 0.00 0.60 -0.72 2.19 2.03 -1.94 -0.42 116.42 118.17 1ubu h ASP 33 Ca -0.00 -0.39 0.06 0.00 -0.73 0.00 0.00 57.03 55.97 1ubu h ASP 33 Cb 0.62 -0.17 -0.06 0.00 -0.83 0.00 0.00 39.33 38.89 1ubu h ASP 33 CO 0.04 0.85 0.42 0.74 -1.03 0.00 0.00 179.24 180.26 1ubu h THR 34 N 0.35 1.00 -0.27 1.15 2.02 -1.83 -0.35 112.91 114.97 1ubu h THR 34 Ca 0.07 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1ubu h THR 34 Cb 0.61 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1ubu h THR 34 CO 0.04 0.14 0.09 -0.07 0.37 0.00 0.00 175.52 176.08 1ubu h LEU 35 N 0.77 0.09 -0.32 2.58 -0.00 -0.94 0.16 115.31 117.66 1ubu h LEU 35 Ca 0.32 0.03 -0.16 0.00 -0.00 0.00 0.00 57.88 58.07 1ubu h LEU 35 Cb 0.17 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 1ubu h LEU 35 CO -0.17 0.09 -0.76 0.40 -0.00 0.00 0.00 178.44 177.99 1ubu h ILE 36 N 0.21 1.45 0.00 1.22 1.08 -0.87 -0.52 117.51 120.08 1ubu h ILE 36 Ca 0.12 -2.70 -0.35 0.00 -0.39 0.00 0.00 64.86 61.54 1ubu h ILE 36 Cb 0.09 2.50 -0.06 0.00 -3.07 0.00 0.00 36.82 36.28 1ubu h ILE 36 CO -0.13 0.75 -2.17 0.18 -0.69 0.00 0.00 178.15 176.09 1ubu n LEU 37 N -3.48 0.45 -0.04 1.44 4.32 -0.16 -4.57 117.00 114.96 1ubu n LEU 37 Ca -0.00 0.13 -0.08 0.00 -0.02 0.00 0.00 56.01 56.04 1ubu n LEU 37 Cb 0.78 0.30 -0.03 0.00 -1.62 0.00 0.00 43.42 42.85 1ubu n LEU 37 CO 0.44 0.49 -0.77 0.47 -1.22 0.00 0.00 177.39 176.80 1ubu n ASP 38 N -2.88 1.41 0.10 -1.43 8.00 0.47 -4.86 116.55 117.36 1ubu n ASP 38 Ca -0.28 0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.05 1ubu n ASP 38 Cb 1.12 -0.20 -0.15 0.00 -0.02 0.00 0.00 41.12 41.86 1ubu n ASP 38 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1ubu h THR 39 N -0.20 1.14 -3.60 -3.53 2.02 -1.11 -3.48 112.91 104.14 1ubu h THR 39 Ca -0.19 -2.67 -0.32 0.00 0.77 0.00 0.00 66.41 64.00 1ubu h THR 39 Cb 1.20 2.89 -0.15 0.00 -1.74 0.00 0.00 68.15 70.35 1ubu h THR 39 CO -0.10 0.84 -0.66 -0.76 0.37 0.00 0.00 175.52 175.21 1ubu s LEU 40 N -7.36 2.14 -0.32 2.58 1.02 -0.22 -4.32 118.68 112.21 1ubu s LEU 40 Ca -0.11 -1.19 -0.03 0.00 0.02 0.00 0.00 54.13 52.81 1ubu s LEU 40 Cb 0.05 -0.14 0.05 0.00 0.02 0.00 0.00 46.19 46.17 1ubu s LEU 40 CO 0.89 -0.54 0.04 -0.55 0.02 0.00 0.00 176.35 176.21 1ubu s SER 41 N -3.22 5.05 -0.70 2.29 0.15 0.85 -4.39 113.70 113.73 1ubu s SER 41 Ca 0.26 -1.25 -0.24 0.00 0.70 0.00 0.00 55.95 55.42 1ubu s SER 41 Cb 0.06 -1.77 0.06 0.00 -1.71 0.00 0.00 66.02 62.65 1ubu s SER 41 CO 0.06 -0.29 1.10 -0.22 1.20 0.00 0.00 173.24 175.09 1ubu s LEU 42 N 1.30 3.89 -0.01 3.45 2.96 -1.26 -0.53 118.68 128.49 1ubu s LEU 42 Ca -0.04 -0.80 0.21 0.00 -0.22 0.00 0.00 54.13 53.28 1ubu s LEU 42 Cb -0.20 -2.48 -0.24 0.00 0.50 0.00 0.00 46.19 43.77 1ubu s LEU 42 CO 0.00 -1.60 0.79 0.47 -1.32 0.00 0.00 176.35 174.70 1ubu n ASP 43 N 8.38 0.69 -3.68 3.68 10.43 -0.00 -4.81 116.55 131.24 1ubu n ASP 43 Ca 0.00 -0.68 -0.10 0.00 2.57 0.00 0.00 54.79 56.59 1ubu n ASP 43 Cb 0.47 1.27 -0.09 0.00 1.84 0.00 0.00 41.12 44.61 1ubu n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1ubu s TYR 44 N -3.16 -0.75 -0.30 1.24 5.04 -1.22 -4.71 117.35 113.49 1ubu s TYR 44 Ca 0.03 1.58 -0.05 0.00 -2.44 0.00 0.00 57.07 56.19 1ubu s TYR 44 Cb 0.15 0.38 0.19 0.00 0.35 0.00 0.00 41.96 43.03 1ubu s TYR 44 CO 0.88 -0.40 0.82 -1.58 -1.34 0.00 0.00 175.55 173.93 1ubu s HIS 45 N 1.36 -1.12 0.57 4.97 2.46 -1.26 -1.47 115.29 120.80 1ubu s HIS 45 Ca -0.09 0.95 0.32 0.00 0.47 0.00 0.00 55.06 56.72 1ubu s HIS 45 Cb -0.07 0.30 1.88 0.00 -0.13 0.00 0.00 32.58 34.56 1ubu s HIS 45 CO -0.14 -0.63 2.25 0.93 -2.47 0.00 0.00 174.74 174.68 1ubu h GLU 46 N 7.86 0.00 -0.00 2.88 5.08 -1.96 -0.81 114.58 127.63 1ubu h GLU 46 Ca -0.13 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.06 1ubu h GLU 46 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1ubu h GLU 46 CO 0.06 0.02 -0.81 1.15 -1.00 0.00 0.00 179.01 178.43 1ubu h THR 47 N 0.00 1.54 0.00 1.13 2.02 -1.96 -3.37 112.91 112.27 1ubu h THR 47 Ca -0.00 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.52 1ubu h THR 47 Cb 0.07 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1ubu h THR 47 CO 0.00 0.76 0.00 2.30 0.37 0.00 0.00 175.52 178.96 1ubu n ILE 48 N -3.63 0.00 -2.35 3.11 -5.35 -0.92 -5.07 119.36 105.15 1ubu n ILE 48 Ca -0.02 -0.33 -0.34 0.00 -0.27 0.00 0.00 62.75 61.80 1ubu n ILE 48 Cb 0.77 1.26 -0.01 0.00 -1.74 0.00 0.00 39.64 39.91 1ubu n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubu s MET 49 N -0.17 3.57 0.04 6.28 0.23 -0.36 -4.97 119.30 123.92 1ubu s MET 49 Ca 0.00 1.39 -0.19 0.00 -1.03 0.00 0.00 55.69 55.86 1ubu s MET 49 Cb 0.00 -2.06 -0.16 0.00 -1.53 0.00 0.00 34.83 31.08 1ubu s MET 49 CO 0.00 -0.63 1.28 0.00 -2.03 0.00 0.00 175.02 173.64 1ubu h ALA 50 N 1.21 0.21 -2.63 3.16 0.00 -1.96 -3.45 119.26 115.80 1ubu h ALA 50 Ca -0.49 -0.41 -0.50 0.00 0.00 0.00 0.00 54.91 53.51 1ubu h ALA 50 Cb 1.23 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 19.05 1ubu h ALA 50 CO 0.58 0.23 0.45 0.00 0.00 0.00 0.00 179.25 180.51 1ubu s ALA 51 N -3.96 2.85 0.29 0.00 0.00 -1.26 -5.06 121.76 114.62 1ubu s ALA 51 Ca -0.14 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1ubu s ALA 51 Cb 0.05 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1ubu s ALA 51 CO 0.78 -0.67 0.06 0.00 0.00 0.00 0.00 175.76 175.93 1ubu s ALA 52 N -1.67 2.06 0.00 0.00 0.00 -1.26 -4.50 121.76 116.40 1ubu s ALA 52 Ca 0.68 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1ubu s ALA 52 Cb -0.26 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1ubu s ALA 52 CO 0.30 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1ubu n GLY 53 N -0.57 2.85 0.36 0.00 0.00 -1.26 -2.06 105.19 104.51 1ubu n GLY 53 Ca -0.02 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.74 1ubu n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ubu h ASP 54 N 8.36 0.71 -0.41 1.61 3.32 -1.98 0.71 116.42 128.74 1ubu h ASP 54 Ca 0.00 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1ubu h ASP 54 Cb 0.00 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1ubu h ASP 54 CO 0.00 0.42 -0.06 0.00 -1.72 0.00 0.00 179.24 177.88 1ubu h ALA 55 N 1.58 0.99 -0.18 3.45 0.00 -1.81 0.14 119.26 123.43 1ubu h ALA 55 Ca 0.38 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ubu h ALA 55 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ubu h ALA 55 CO -0.15 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.69 1ubu h ALA 56 N 1.16 0.25 -0.87 0.00 0.00 -0.73 -1.73 119.26 117.33 1ubu h ALA 56 Ca 0.14 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ubu h ALA 56 Cb 0.55 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1ubu h ALA 56 CO 0.03 -0.02 0.57 0.93 0.00 0.00 0.00 179.25 180.76 1ubu h GLU 57 N 0.07 1.00 -0.35 0.00 5.08 -0.67 -0.59 114.58 119.12 1ubu h GLU 57 Ca 0.05 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1ubu h GLU 57 Cb 0.42 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ubu h GLU 57 CO 0.01 0.66 -0.28 0.00 -1.00 0.00 0.00 179.01 178.40 1ubu h ALA 58 N 1.51 0.86 -0.87 3.43 0.00 -0.59 -1.66 119.26 121.93 1ubu h ALA 58 Ca 0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ubu h ALA 58 Cb 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1ubu h ALA 58 CO -0.12 0.63 0.48 0.00 0.00 0.00 0.00 179.25 180.24 1ubu h ALA 59 N 1.07 1.21 -0.13 0.00 0.00 -0.52 -0.03 119.26 120.86 1ubu h ALA 59 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ubu h ALA 59 Cb 0.79 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ubu h ALA 59 CO 0.06 0.64 -0.02 1.25 0.00 0.00 0.00 179.25 181.19 1ubu h LEU 60 N 1.22 0.23 -0.85 0.00 5.85 -0.69 -1.98 115.31 119.10 1ubu h LEU 60 Ca 0.31 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ubu h LEU 60 Cb 0.02 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1ubu h LEU 60 CO -0.05 0.52 0.56 -0.08 -0.34 0.00 0.00 178.44 179.05 1ubu h GLU 61 N -0.06 1.12 -0.37 1.25 4.22 -1.07 0.13 114.58 119.80 1ubu h GLU 61 Ca 0.03 -0.07 -0.07 0.00 0.08 0.00 0.00 59.36 59.34 1ubu h GLU 61 Cb 0.42 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1ubu h GLU 61 CO 0.01 0.75 -0.05 0.37 -2.18 0.00 0.00 179.01 177.91 1ubu h GLN 62 N 1.15 0.61 -0.20 1.92 4.15 -0.82 -1.25 115.11 120.68 1ubu h GLN 62 Ca 0.31 -0.16 -0.20 0.00 0.77 0.00 0.00 58.65 59.37 1ubu h GLN 62 Cb -0.12 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.50 1ubu h GLN 62 CO -0.07 0.67 -0.64 0.00 -1.93 0.00 0.00 178.83 176.86 1ubu h ALA 63 N 1.38 0.34 0.00 3.38 0.00 -0.57 -3.07 119.26 120.72 1ubu h ALA 63 Ca 0.11 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1ubu h ALA 63 Cb 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ubu h ALA 63 CO 0.02 0.62 -0.66 -0.39 0.00 0.00 0.00 179.25 178.84 1ubu h VAL 64 N 0.52 1.45 -0.34 0.00 -1.51 -0.74 -2.92 116.25 112.71 1ubu h VAL 64 Ca -0.02 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.15 1ubu h VAL 64 Cb 1.27 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 1ubu h VAL 64 CO 0.14 0.65 0.00 0.59 -1.23 0.00 0.00 177.57 177.72 1ubu n ASN 65 N -3.71 2.00 -4.75 4.19 3.02 -0.49 -4.88 115.26 110.64 1ubu n ASN 65 Ca -0.01 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 1ubu n ASN 65 Cb 0.66 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 1ubu n ASN 65 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ubu s SER 66 N -1.12 6.49 0.40 6.41 0.15 -1.10 -4.85 113.70 120.08 1ubu s SER 66 Ca 0.27 2.85 0.28 0.00 0.70 0.00 0.00 55.95 60.05 1ubu s SER 66 Cb 0.14 -2.64 1.44 0.00 -1.71 0.00 0.00 66.02 63.26 1ubu s SER 66 CO 0.19 -0.82 1.85 -0.65 1.20 0.00 0.00 173.24 175.02 1ubu h PRO 67 N 4.60 0.00 0.00 5.44 0.11 -1.91 -2.52 132.00 137.72 1ubu h PRO 67 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ubu h PRO 67 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ubu h PRO 67 CO 0.76 0.00 -0.23 0.72 -0.21 0.00 0.00 178.00 179.04 1ubu n HIS 68 N -2.49 0.15 0.00 0.65 8.25 -1.26 -5.04 115.22 115.48 1ubu n HIS 68 Ca -0.01 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1ubu n HIS 68 Cb 0.09 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.73 1ubu n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ubu n GLY 69 N 1.47 0.77 3.09 -1.41 0.00 -0.95 -4.97 105.19 103.19 1ubu n GLY 69 Ca 0.06 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 1ubu n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ubu s PHE 70 N -2.72 0.48 -0.14 1.61 -0.71 -1.26 -4.46 117.98 110.78 1ubu s PHE 70 Ca 0.00 -1.01 -0.07 0.00 -1.04 0.00 0.00 56.93 54.81 1ubu s PHE 70 Cb 0.00 -0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 1ubu s PHE 70 CO 0.00 -0.38 0.09 0.42 -1.34 0.00 0.00 175.22 174.02 1ubu s ILE 71 N -3.77 5.10 -0.15 -4.49 1.01 0.32 -0.65 121.20 118.55 1ubu s ILE 71 Ca 0.06 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 1ubu s ILE 71 Cb 0.07 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1ubu s ILE 71 CO -0.10 0.54 0.07 0.00 0.00 0.00 0.00 174.94 175.46 1ubu s ALA 72 N -0.39 3.50 -0.16 9.38 0.00 -0.28 -0.63 121.76 133.18 1ubu s ALA 72 Ca 0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1ubu s ALA 72 Cb -0.12 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1ubu s ALA 72 CO 0.02 0.35 -0.13 0.08 0.00 0.00 0.00 175.76 176.08 1ubu s VAL 73 N -0.16 2.89 -0.15 0.00 1.01 -0.10 -0.52 120.40 123.38 1ubu s VAL 73 Ca 0.08 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1ubu s VAL 73 Cb -0.12 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1ubu s VAL 73 CO 0.01 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.74 1ubu s VAL 74 N 0.82 2.45 -0.12 2.92 1.01 -0.23 -0.97 120.40 126.29 1ubu s VAL 74 Ca -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1ubu s VAL 74 Cb -0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1ubu s VAL 74 CO 0.00 0.53 -0.04 -0.70 0.00 0.00 0.00 175.10 174.89 1ubu s GLU 75 N 0.76 3.28 0.00 2.72 2.12 0.05 -0.71 118.70 126.91 1ubu s GLU 75 Ca -0.07 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1ubu s GLU 75 Cb -0.16 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1ubu s GLU 75 CO 0.00 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 1ubu n GLY 76 N 2.92 1.81 3.87 -1.50 0.00 -1.26 -0.79 105.19 110.25 1ubu n GLY 76 Ca -0.18 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1ubu n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubu s GLY 77 N -0.25 1.65 -0.34 -0.02 0.00 -0.52 -3.46 107.32 104.37 1ubu s GLY 77 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 1ubu s GLY 77 CO 0.00 0.16 0.22 -0.42 0.00 0.00 0.00 173.10 173.06 1ubu s ILE 78 N -3.19 5.06 -0.01 0.90 1.01 0.29 -0.89 121.20 124.37 1ubu s ILE 78 Ca 0.55 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 1ubu s ILE 78 Cb -0.11 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1ubu s ILE 78 CO 0.54 -0.04 1.24 -2.16 0.00 0.00 0.00 174.94 174.52 1ubu s PRO 79 N 1.68 4.36 -0.00 2.79 0.05 -1.26 -0.84 135.00 141.78 1ubu s PRO 79 Ca 0.05 1.76 0.07 0.00 0.05 0.00 0.00 61.00 62.94 1ubu s PRO 79 Cb -0.18 -3.50 -0.09 0.00 0.05 0.00 0.00 34.50 30.78 1ubu s PRO 79 CO 0.09 -0.42 0.27 0.25 0.05 0.00 0.00 177.00 177.25 1ubu n THR 80 N 4.42 0.00 -1.08 1.26 -2.24 0.39 -4.26 114.28 112.77 1ubu n THR 80 Ca 0.11 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 1ubu n THR 80 Cb 0.46 0.80 0.12 0.00 -2.10 0.00 0.00 70.33 69.61 1ubu n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubu s ALA 81 N -1.95 1.90 -1.65 6.98 0.00 -0.47 -3.05 121.76 123.53 1ubu s ALA 81 Ca 0.01 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 1ubu s ALA 81 Cb 0.05 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 19.90 1ubu s ALA 81 CO 0.31 -2.19 0.62 0.00 0.00 0.00 0.00 175.76 174.49 1ubu n ALA 82 N -3.61 -1.48 -2.36 0.00 0.00 -1.26 -1.49 120.51 110.31 1ubu n ALA 82 Ca 0.11 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 1ubu n ALA 82 Cb 0.52 -2.72 -0.01 0.00 0.00 0.00 0.00 19.45 17.25 1ubu n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ubu n ASN 83 N -2.73 -5.00 0.00 0.00 5.15 -1.18 -2.82 115.26 108.68 1ubu n ASN 83 Ca -0.04 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1ubu n ASN 83 Cb 0.55 -4.08 0.00 0.00 -0.53 0.00 0.00 39.78 35.71 1ubu n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ubu n GLY 84 N -1.04 0.69 0.32 8.20 0.00 -0.55 -4.95 105.19 107.86 1ubu n GLY 84 Ca -0.19 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.02 1ubu n GLY 84 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ubu h ILE 85 N 0.00 0.26 0.00 -0.61 5.03 -1.58 -2.95 117.51 117.66 1ubu h ILE 85 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1ubu h ILE 85 Cb 0.00 0.98 0.00 0.00 -3.03 0.00 0.00 36.82 34.77 1ubu h ILE 85 CO 0.00 0.00 0.00 -1.22 -0.68 0.00 0.00 178.15 176.25 1ubu n TYR 86 N -3.46 0.34 -3.67 1.37 4.01 -1.26 -4.54 117.16 109.94 1ubu n TYR 86 Ca -0.03 0.11 -0.16 0.00 -0.16 0.00 0.00 57.90 57.66 1ubu n TYR 86 Cb 0.10 -0.68 -0.15 0.00 -0.31 0.00 0.00 39.34 38.30 1ubu n TYR 86 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ubu s GLY 87 N -3.22 0.04 0.02 2.72 0.00 -1.11 -5.05 107.32 100.71 1ubu s GLY 87 Ca 0.10 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.43 1ubu s GLY 87 CO 0.47 1.62 -0.06 0.54 0.00 0.00 0.00 173.10 175.67 1ubu s LYS 88 N 2.18 0.43 -0.05 2.90 1.02 -1.26 -0.81 119.74 124.16 1ubu s LYS 88 Ca 0.02 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1ubu s LYS 88 Cb -0.12 -0.27 -0.00 0.00 -0.52 0.00 0.00 37.83 36.91 1ubu s LYS 88 CO -0.06 0.06 -0.18 0.08 -0.92 0.00 0.00 175.35 174.33 1ubu s VAL 89 N -0.86 1.49 -1.38 3.17 1.01 -0.08 -4.75 120.40 118.99 1ubu s VAL 89 Ca -0.06 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1ubu s VAL 89 Cb -0.07 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1ubu s VAL 89 CO 0.00 0.43 0.35 0.00 0.00 0.00 0.00 175.10 175.88 1ubu n ALA 90 N 3.16 -0.91 -1.94 5.51 0.00 -1.26 -1.10 120.51 123.97 1ubu n ALA 90 Ca -0.18 0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1ubu n ALA 90 Cb 0.53 -2.78 -0.05 0.00 0.00 0.00 0.00 19.45 17.15 1ubu n ALA 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ubu n ASN 91 N -2.22 -5.53 -4.59 0.00 4.05 -1.26 -5.00 115.26 100.71 1ubu n ASN 91 Ca -0.11 0.26 -0.33 0.00 0.45 0.00 0.00 54.58 54.86 1ubu n ASN 91 Cb 0.60 -4.68 -0.11 0.00 1.23 0.00 0.00 39.78 36.83 1ubu n ASN 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1ubu s HIS 92 N -2.85 2.90 0.61 1.20 3.76 -0.26 -5.08 115.29 115.56 1ubu s HIS 92 Ca 0.00 -0.02 -0.17 0.00 -0.15 0.00 0.00 55.06 54.72 1ubu s HIS 92 Cb 0.00 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.02 1ubu s HIS 92 CO 0.00 0.35 1.12 0.95 -0.85 0.00 0.00 174.74 176.32 1ubu s THR 93 N -0.93 3.16 0.39 1.30 -4.23 -1.26 -0.90 115.64 113.17 1ubu s THR 93 Ca 0.15 0.62 0.08 0.00 -1.18 0.00 0.00 61.69 61.36 1ubu s THR 93 Cb -0.11 -3.18 0.20 0.00 1.34 0.00 0.00 72.50 70.75 1ubu s THR 93 CO 0.05 -0.25 1.96 0.24 -0.54 0.00 0.00 174.62 176.08 1ubu h MET 94 N 0.56 0.40 -0.40 3.99 2.86 -1.18 -0.84 114.93 120.33 1ubu h MET 94 Ca -0.48 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 1ubu h MET 94 Cb 1.26 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 1ubu h MET 94 CO 0.55 0.40 0.26 1.25 1.06 0.00 0.00 176.91 180.43 1ubu h LEU 95 N 0.40 0.46 -0.51 1.22 6.46 -1.83 0.13 115.31 121.64 1ubu h LEU 95 Ca 0.09 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 1ubu h LEU 95 Cb 0.20 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1ubu h LEU 95 CO 0.00 0.34 -0.01 -0.78 -0.62 0.00 0.00 178.44 177.37 1ubu h ASP 96 N 0.53 0.89 0.11 1.25 3.58 -1.75 0.17 116.42 121.20 1ubu h ASP 96 Ca 0.14 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 1ubu h ASP 96 Cb -0.05 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.77 1ubu h ASP 96 CO -0.03 0.98 -0.05 0.40 -2.88 0.00 0.00 179.24 177.66 1ubu h ILE 97 N 0.76 0.90 -0.23 2.25 2.04 -0.98 -1.33 117.51 120.92 1ubu h ILE 97 Ca 0.14 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.85 1ubu h ILE 97 Cb 0.54 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1ubu h ILE 97 CO 0.03 0.01 -0.34 0.00 0.00 0.00 0.00 178.15 177.85 1ubu h SER 99 N 0.43 0.48 0.39 0.00 0.02 -0.31 -1.31 113.55 113.24 1ubu h SER 99 Ca 0.05 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.68 1ubu h SER 99 Cb 0.80 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1ubu h SER 99 CO 0.07 0.31 -1.69 0.03 -1.14 0.00 0.00 176.83 174.41 1ubu h ARG 100 N 0.55 0.18 0.08 3.45 3.08 -0.90 -3.40 114.38 117.42 1ubu h ARG 100 Ca 0.25 -0.31 -0.26 0.00 0.07 0.00 0.00 59.98 59.73 1ubu h ARG 100 Cb 0.28 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1ubu h ARG 100 CO -0.07 0.98 -1.37 0.82 -1.07 0.00 0.00 179.97 179.26 1ubu h ILE 101 N 0.05 0.98 -0.37 2.04 2.04 -1.05 -3.40 117.51 117.79 1ubu h ILE 101 Ca -0.30 -2.32 -0.10 0.00 1.00 0.00 0.00 64.86 63.14 1ubu h ILE 101 Cb 2.02 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 40.66 1ubu h ILE 101 CO 0.12 0.61 -0.17 -0.07 0.00 0.00 0.00 178.15 178.64 1ubu h LEU 102 N -0.50 0.69 -1.12 1.44 3.38 -1.46 -0.58 115.31 117.17 1ubu h LEU 102 Ca -0.32 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1ubu h LEU 102 Cb 1.62 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1ubu h LEU 102 CO -0.02 0.86 0.00 -2.65 0.09 0.00 0.00 178.44 176.72 1ubu n PRO 103 N -4.14 0.13 0.00 1.13 -0.02 -1.26 -1.72 135.00 129.11 1ubu n PRO 103 Ca 0.01 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1ubu n PRO 103 Cb 0.39 -1.88 0.35 0.00 -0.02 0.00 0.00 33.50 32.33 1ubu n PRO 103 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ubu n LYS 104 N -2.15 0.38 -2.32 -0.52 5.02 -0.23 -4.94 118.16 113.40 1ubu n LYS 104 Ca -0.01 -0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 55.74 1ubu n LYS 104 Cb 0.06 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 1ubu n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ubu s ALA 105 N -2.76 2.79 0.16 7.82 0.00 -0.70 -4.76 121.76 124.31 1ubu s ALA 105 Ca 0.18 0.57 0.14 0.00 0.00 0.00 0.00 51.96 52.85 1ubu s ALA 105 Cb 0.18 -3.26 0.40 0.00 0.00 0.00 0.00 23.12 20.44 1ubu s ALA 105 CO 0.60 -0.56 1.61 1.96 0.00 0.00 0.00 175.76 179.37 1ubu h GLN 106 N 1.11 0.00 -2.17 0.00 1.08 -1.22 -3.45 115.11 110.45 1ubu h GLN 106 Ca -0.49 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.64 1ubu h GLN 106 Cb 1.23 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.47 1ubu h GLN 106 CO 0.58 0.54 0.11 0.00 -0.95 0.00 0.00 178.83 179.12 1ubu s ALA 107 N -3.44 -1.61 -0.09 3.87 0.00 -1.26 -5.06 121.76 114.18 1ubu s ALA 107 Ca 0.00 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.16 1ubu s ALA 107 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1ubu s ALA 107 CO 0.73 -0.35 -0.21 0.08 0.00 0.00 0.00 175.76 176.01 1ubu s VAL 108 N -1.21 1.81 -0.19 0.00 1.01 -1.26 -1.12 120.40 119.44 1ubu s VAL 108 Ca -0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1ubu s VAL 108 Cb -0.01 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 1ubu s VAL 108 CO 0.09 0.51 -0.11 -0.63 0.00 0.00 0.00 175.10 174.96 1ubu s ILE 109 N 0.36 2.93 -0.30 2.22 1.01 0.33 -0.66 121.20 127.09 1ubu s ILE 109 Ca -0.16 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.60 1ubu s ILE 109 Cb -0.17 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1ubu s ILE 109 CO 0.07 0.48 0.81 0.00 0.00 0.00 0.00 174.94 176.29 1ubu s ALA 110 N 1.19 3.55 -0.25 9.38 0.00 0.50 -1.06 121.76 135.06 1ubu s ALA 110 Ca 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1ubu s ALA 110 Cb -0.14 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1ubu s ALA 110 CO -0.04 -1.17 -0.05 -0.47 0.00 0.00 0.00 175.76 174.03 1ubu s TYR 111 N 2.97 3.05 0.00 0.00 5.04 0.11 -0.94 117.35 127.59 1ubu s TYR 111 Ca 0.33 -1.45 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 1ubu s TYR 111 Cb -0.14 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.09 1ubu s TYR 111 CO 0.12 -0.70 0.00 0.41 -1.34 0.00 0.00 175.55 174.04 1ubu n GLY 112 N 4.69 1.80 0.35 8.97 0.00 0.12 -4.34 105.19 116.78 1ubu n GLY 112 Ca -0.17 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.27 1ubu n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ubu h THR 113 N 0.00 0.86 0.23 2.61 2.02 -1.34 0.18 112.91 117.46 1ubu h THR 113 Ca 0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1ubu h THR 113 Cb 0.00 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1ubu h THR 113 CO 0.00 0.04 -0.11 0.00 0.37 0.00 0.00 175.52 175.82 1ubu h ALA 115 N 0.29 1.10 -0.03 0.00 0.00 -1.35 0.52 119.26 119.78 1ubu h ALA 115 Ca -0.03 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1ubu h ALA 115 Cb 0.34 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ubu h ALA 115 CO 0.05 0.56 -0.57 1.79 0.00 0.00 0.00 179.25 181.07 1ubu h THR 116 N 0.44 1.41 0.00 0.00 1.35 -0.59 -0.14 112.91 115.38 1ubu h THR 116 Ca 0.07 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 1ubu h THR 116 Cb 0.65 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1ubu h THR 116 CO 0.05 0.59 0.00 0.49 -0.25 0.00 0.00 175.52 176.39 1ubu n PHE 117 N -4.22 0.00 0.00 4.73 3.72 0.68 -4.28 117.46 118.08 1ubu n PHE 117 Ca -0.10 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1ubu n PHE 117 Cb 0.65 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1ubu n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubu n GLY 118 N -0.03 3.10 7.00 1.37 0.00 0.17 -4.23 105.19 112.57 1ubu n GLY 118 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1ubu n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubu n GLY 119 N 0.00 0.10 0.30 -0.02 0.00 -1.18 -3.54 105.19 100.85 1ubu n GLY 119 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1ubu n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ubu h VAL 120 N 0.00 1.27 0.00 1.61 3.04 -1.94 0.03 116.25 120.25 1ubu h VAL 120 Ca 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 1ubu h VAL 120 Cb 0.00 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1ubu h VAL 120 CO 0.00 0.42 0.00 0.00 -1.01 0.00 0.00 177.57 176.98 1ubu n GLN 121 N -4.19 0.17 0.00 4.17 0.00 -1.26 -2.14 117.38 114.13 1ubu n GLN 121 Ca 0.02 0.25 0.14 0.00 0.00 0.00 0.00 57.00 57.41 1ubu n GLN 121 Cb 0.36 -1.74 0.52 0.00 0.00 0.00 0.00 30.24 29.38 1ubu n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ubu n ALA 122 N -1.70 2.84 -1.45 2.61 0.00 -0.02 -4.43 120.51 118.35 1ubu n ALA 122 Ca 0.04 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 1ubu n ALA 122 Cb 0.32 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.55 1ubu n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubu n ALA 123 N -1.25 0.65 -1.64 0.00 0.00 -0.91 -4.33 120.51 113.03 1ubu n ALA 123 Ca 0.10 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 1ubu n ALA 123 Cb 0.31 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 1ubu n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ubu n LYS 124 N -2.53 1.74 -0.63 0.00 5.02 -1.26 0.15 118.16 120.65 1ubu n LYS 124 Ca 0.15 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1ubu n LYS 124 Cb 0.49 -2.11 0.23 0.00 -0.02 0.00 0.00 35.03 33.63 1ubu n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ubu n PRO 125 N 0.85 3.18 -3.68 1.97 -0.04 -1.26 -4.98 135.00 131.04 1ubu n PRO 125 Ca 0.08 -2.03 -0.30 0.00 -0.04 0.00 0.00 63.50 61.20 1ubu n PRO 125 Cb 0.33 -1.95 0.04 0.00 -0.04 0.00 0.00 33.50 31.88 1ubu n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ubu n ASN 126 N 0.20 -5.37 0.27 3.54 4.05 0.12 -4.84 115.26 113.23 1ubu n ASN 126 Ca 0.22 -0.98 0.12 0.00 0.45 0.00 0.00 54.58 54.39 1ubu n ASN 126 Cb 0.95 -3.23 0.75 0.00 1.23 0.00 0.00 39.78 39.48 1ubu n ASN 126 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ubu h PRO 127 N -1.70 0.00 -0.63 1.20 0.13 -1.83 -2.02 132.00 127.15 1ubu h PRO 127 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1ubu h PRO 127 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ubu h PRO 127 CO 0.46 0.09 0.00 0.25 -0.23 0.00 0.00 178.00 178.57 1ubu n THR 128 N -3.86 0.84 -3.70 1.56 -2.24 -1.26 -4.89 114.28 100.73 1ubu n THR 128 Ca -0.02 -0.87 -0.24 0.00 -2.27 0.00 0.00 64.05 60.64 1ubu n THR 128 Cb 0.18 0.50 0.05 0.00 -2.10 0.00 0.00 70.33 68.96 1ubu n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubu n GLY 129 N 1.55 -0.45 3.75 3.38 0.00 -0.76 -1.36 105.19 111.30 1ubu n GLY 129 Ca 0.22 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 1ubu n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubu s ALA 130 N -3.39 3.50 0.07 4.61 0.00 -1.26 -0.46 121.76 124.82 1ubu s ALA 130 Ca 0.40 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.50 1ubu s ALA 130 Cb -0.19 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1ubu s ALA 130 CO 0.78 -0.50 -0.08 0.15 0.00 0.00 0.00 175.76 176.11 1ubu s LYS 131 N -0.81 0.71 0.88 0.00 1.02 -0.02 -4.68 119.74 116.85 1ubu s LYS 131 Ca 0.52 -1.05 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 1ubu s LYS 131 Cb -0.37 -0.33 0.12 0.00 -0.52 0.00 0.00 37.83 36.73 1ubu s LYS 131 CO 0.43 0.04 1.09 0.20 -0.92 0.00 0.00 175.35 176.19 1ubu s GLY 132 N -2.27 1.63 0.11 -3.33 0.00 -1.26 -0.55 107.32 101.66 1ubu s GLY 132 Ca 0.01 0.08 -0.20 0.00 0.00 0.00 0.00 44.72 44.62 1ubu s GLY 132 CO -0.01 0.54 1.74 -2.08 0.00 0.00 0.00 173.10 173.29 1ubu h VAL 133 N -1.55 1.08 -0.11 1.40 2.07 -1.20 -0.22 116.25 117.73 1ubu h VAL 133 Ca -0.48 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 1ubu h VAL 133 Cb 1.27 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1ubu h VAL 133 CO 0.52 0.07 -0.50 0.78 0.02 0.00 0.00 177.57 178.46 1ubu h ASN 134 N 0.22 0.30 -0.01 0.57 2.35 -1.81 -0.31 115.58 116.90 1ubu h ASN 134 Ca 0.07 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1ubu h ASN 134 Cb 0.02 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1ubu h ASN 134 CO -0.01 0.76 -0.00 -0.78 -1.65 0.00 0.00 177.43 175.74 1ubu h ASP 135 N 0.22 0.02 -0.73 5.81 3.58 -1.83 -1.21 116.42 122.28 1ubu h ASP 135 Ca 0.01 -0.35 0.04 0.00 0.42 0.00 0.00 57.03 57.15 1ubu h ASP 135 Cb 0.96 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.96 1ubu h ASP 135 CO 0.08 0.36 0.48 0.00 -2.88 0.00 0.00 179.24 177.28 1ubu h ALA 136 N 0.66 1.60 -0.15 -0.78 0.00 -0.85 -3.25 119.26 116.50 1ubu h ALA 136 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ubu h ALA 136 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ubu h ALA 136 CO 0.00 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1ubu n LEU 137 N -4.46 2.86 -0.29 0.00 4.77 -0.14 -4.69 117.00 115.06 1ubu n LEU 137 Ca 0.10 -2.64 0.07 0.00 -0.03 0.00 0.00 56.01 53.50 1ubu n LEU 137 Cb 0.15 -0.34 0.18 0.00 -2.33 0.00 0.00 43.42 41.07 1ubu n LEU 137 CO 0.35 0.66 0.79 0.11 -1.33 0.00 0.00 177.39 177.97 1ubu h LYS 138 N 0.94 0.06 0.00 3.23 1.57 -1.25 0.22 116.57 121.35 1ubu h LYS 138 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ubu h LYS 138 Cb 0.99 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1ubu h LYS 138 CO 0.07 0.04 0.00 1.12 -0.57 0.00 0.00 179.45 180.11 1ubu h HIS 139 N 0.07 0.00 -0.35 -1.35 2.07 -1.86 -2.04 115.15 111.68 1ubu h HIS 139 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 1ubu h HIS 139 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 1ubu h HIS 139 CO -0.49 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 175.65 1ubu n LEU 140 N -2.54 3.30 0.00 6.12 4.77 0.76 -4.94 117.00 124.46 1ubu n LEU 140 Ca 0.00 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 1ubu n LEU 140 Cb 0.18 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1ubu n LEU 140 CO 0.19 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1ubu n GLY 141 N 1.34 0.80 3.69 -0.72 0.00 -0.77 -4.91 105.19 104.62 1ubu n GLY 141 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ubu n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubu s VAL 142 N -3.03 3.78 -0.43 1.61 1.01 -1.20 -4.97 120.40 117.18 1ubu s VAL 142 Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1ubu s VAL 142 Cb 0.00 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1ubu s VAL 142 CO 0.00 0.01 0.21 -0.54 0.00 0.00 0.00 175.10 174.78 1ubu s LYS 143 N 2.23 1.34 0.30 2.72 -0.14 -1.26 -4.58 119.74 120.35 1ubu s LYS 143 Ca 0.62 -1.97 -0.28 0.00 -1.36 0.00 0.00 55.97 52.99 1ubu s LYS 143 Cb -0.31 -2.52 -0.09 0.00 -1.68 0.00 0.00 37.83 33.23 1ubu s LYS 143 CO 0.26 -1.11 1.01 0.00 -0.76 0.00 0.00 175.35 174.75 1ubu s ALA 144 N 0.46 3.28 0.16 5.17 0.00 -1.26 -4.71 121.76 124.87 1ubu s ALA 144 Ca 0.16 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 1ubu s ALA 144 Cb -0.23 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1ubu s ALA 144 CO -0.04 0.01 1.45 0.42 0.00 0.00 0.00 175.76 177.60 1ubu s ILE 145 N -1.36 2.97 -0.33 0.00 1.01 0.17 -4.74 121.20 118.92 1ubu s ILE 145 Ca 0.47 0.72 -0.13 0.00 0.00 0.00 0.00 60.65 61.71 1ubu s ILE 145 Cb -0.25 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 1ubu s ILE 145 CO 0.32 0.07 0.28 0.20 0.00 0.00 0.00 174.94 175.81 1ubu s ASN 146 N 0.93 6.10 -0.45 3.58 0.01 -0.21 -0.37 114.94 124.53 1ubu s ASN 146 Ca 0.65 -0.25 -0.06 0.00 -0.71 0.00 0.00 52.86 52.49 1ubu s ASN 146 Cb -0.40 -2.16 0.12 0.00 0.41 0.00 0.00 41.25 39.22 1ubu s ASN 146 CO 0.33 -0.23 0.28 -0.63 -1.51 0.00 0.00 177.10 175.34 1ubu s ILE 147 N 1.84 3.75 0.50 0.60 1.01 -0.11 -3.96 121.20 124.82 1ubu s ILE 147 Ca 0.08 -1.95 -0.03 0.00 0.00 0.00 0.00 60.65 58.75 1ubu s ILE 147 Cb -0.17 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1ubu s ILE 147 CO 0.11 -0.74 0.76 0.00 0.00 0.00 0.00 174.94 175.07 1ubu s ALA 148 N 1.21 3.52 0.00 9.38 0.00 -1.26 -0.71 121.76 133.90 1ubu s ALA 148 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1ubu s ALA 148 Cb -0.24 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1ubu s ALA 148 CO -0.03 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1ubu n GLY 149 N -2.27 3.76 2.30 0.00 0.00 -1.24 -4.31 105.19 103.43 1ubu n GLY 149 Ca 0.02 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 1ubu n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubu s PRO 151 N -1.46 2.63 1.04 0.00 0.04 -1.26 -5.08 135.00 130.92 1ubu s PRO 151 Ca 0.36 -0.43 -0.12 0.00 0.04 0.00 0.00 61.00 60.85 1ubu s PRO 151 Cb 0.14 -2.38 0.21 0.00 0.04 0.00 0.00 34.50 32.52 1ubu s PRO 151 CO -0.09 -0.76 1.07 -2.14 0.04 0.00 0.00 177.00 175.12 1ubu s PRO 152 N -4.89 0.05 0.03 0.56 0.02 -1.13 -4.97 135.00 124.67 1ubu s PRO 152 Ca 0.56 0.69 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 1ubu s PRO 152 Cb -0.10 -1.68 -0.06 0.00 0.02 0.00 0.00 34.50 32.68 1ubu s PRO 152 CO 0.41 -3.03 1.34 1.21 -0.33 0.00 0.00 177.00 176.60 1ubu s ASN 153 N -3.11 6.91 0.61 2.53 3.84 -1.26 -4.90 114.94 119.56 1ubu s ASN 153 Ca 0.66 2.12 0.38 0.00 0.21 0.00 0.00 52.86 56.23 1ubu s ASN 153 Cb -0.21 -2.57 1.91 0.00 -0.55 0.00 0.00 41.25 39.83 1ubu s ASN 153 CO 0.60 -0.64 2.19 1.55 -2.79 0.00 0.00 177.10 178.01 1ubu h PRO 154 N 7.35 0.00 -0.74 0.43 0.13 -1.93 0.36 132.00 137.60 1ubu h PRO 154 Ca -0.39 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.86 1ubu h PRO 154 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1ubu h PRO 154 CO 0.87 0.02 0.49 -0.92 -0.23 0.00 0.00 178.00 178.23 1ubu h TYR 155 N 0.00 0.58 -0.03 1.56 3.20 -1.93 -1.40 116.97 118.94 1ubu h TYR 155 Ca -0.00 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 1ubu h TYR 155 Cb 0.24 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1ubu h TYR 155 CO 0.00 0.25 -0.79 -0.91 -1.64 0.00 0.00 178.16 175.07 1ubu h ASN 156 N 0.52 0.36 0.02 -2.11 2.35 -1.31 -0.11 115.58 115.31 1ubu h ASN 156 Ca 0.35 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1ubu h ASN 156 Cb 0.65 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1ubu h ASN 156 CO -0.12 1.01 -0.01 0.25 -1.65 0.00 0.00 177.43 176.91 1ubu h LEU 157 N 0.18 -0.03 -0.67 1.61 5.85 -1.42 -2.37 115.31 118.47 1ubu h LEU 157 Ca -0.04 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 1ubu h LEU 157 Cb 1.38 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1ubu h LEU 157 CO 0.13 0.37 0.21 0.58 -0.34 0.00 0.00 178.44 179.39 1ubu h VAL 158 N -0.43 1.25 -0.56 1.05 2.07 -1.29 -0.56 116.25 117.79 1ubu h VAL 158 Ca -0.00 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1ubu h VAL 158 Cb 0.41 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1ubu h VAL 158 CO 0.01 0.34 0.30 1.23 0.02 0.00 0.00 177.57 179.47 1ubu h GLY 159 N 0.99 0.81 0.83 2.17 0.00 -1.06 -0.53 103.07 106.28 1ubu h GLY 159 Ca 0.22 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1ubu h GLY 159 CO -0.01 0.34 -0.24 -0.84 0.00 0.00 0.00 176.54 175.79 1ubu h THR 160 N 0.77 1.34 -0.43 4.70 2.02 -0.94 -1.24 112.91 119.12 1ubu h THR 160 Ca 0.20 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1ubu h THR 160 Cb 0.02 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1ubu h THR 160 CO -0.03 0.44 0.27 0.40 0.37 0.00 0.00 175.52 176.97 1ubu h ILE 161 N 0.14 1.12 -0.74 3.11 2.04 -0.86 -1.00 117.51 121.33 1ubu h ILE 161 Ca 0.02 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1ubu h ILE 161 Cb 0.81 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1ubu h ILE 161 CO 0.06 0.12 0.23 0.58 0.00 0.00 0.00 178.15 179.14 1ubu h VAL 162 N 0.58 1.26 -0.36 1.67 2.07 -1.08 0.37 116.25 120.77 1ubu h VAL 162 Ca 0.16 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1ubu h VAL 162 Cb -0.03 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1ubu h VAL 162 CO -0.03 0.36 0.18 0.22 0.02 0.00 0.00 177.57 178.32 1ubu h TYR 163 N 1.10 0.33 -0.68 1.57 5.03 -0.93 -0.30 116.97 123.10 1ubu h TYR 163 Ca 0.24 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.50 1ubu h TYR 163 Cb 0.32 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 1ubu h TYR 163 CO 0.03 0.18 0.18 -0.92 -1.32 0.00 0.00 178.16 176.30 1ubu h TYR 164 N 0.37 1.13 -0.08 -3.82 3.20 -0.39 0.74 116.97 118.13 1ubu h TYR 164 Ca 0.15 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 1ubu h TYR 164 Cb 0.06 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1ubu h TYR 164 CO -0.10 0.92 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.84 1ubu h LEU 165 N 1.01 0.18 0.01 2.82 3.38 0.10 0.23 115.31 123.04 1ubu h LEU 165 Ca 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ubu h LEU 165 Cb 0.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ubu h LEU 165 CO 0.00 0.60 -0.00 0.50 0.09 0.00 0.00 178.44 179.62 1ubu h LYS 166 N 0.14 -0.01 -0.01 1.13 3.64 -0.33 -3.36 116.57 117.77 1ubu h LYS 166 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ubu h LYS 166 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1ubu h LYS 166 CO 0.06 0.56 -0.56 0.09 -2.27 0.00 0.00 179.45 177.34 1ubu n ASN 167 N -4.82 1.33 -1.96 4.20 3.02 0.25 -4.92 115.26 112.36 1ubu n ASN 167 Ca -0.09 -1.07 -0.18 0.00 -0.03 0.00 0.00 54.58 53.22 1ubu n ASN 167 Cb 0.29 0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 39.93 1ubu n ASN 167 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ubu n LYS 168 N -0.74 -1.41 -3.51 3.52 4.01 0.81 -4.94 118.16 115.91 1ubu n LYS 168 Ca 0.08 0.90 -0.09 0.00 -0.51 0.00 0.00 58.31 58.70 1ubu n LYS 168 Cb 0.39 -5.37 -0.02 0.00 -0.51 0.00 0.00 35.03 29.52 1ubu n LYS 168 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ubu s ALA 169 N -2.87 -1.79 0.57 7.82 0.00 -1.25 -5.08 121.76 119.17 1ubu s ALA 169 Ca 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 1ubu s ALA 169 Cb 0.00 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 1ubu s ALA 169 CO 0.00 -0.71 1.09 0.00 0.00 0.00 0.00 175.76 176.13 1ubu s ALA 170 N -3.20 2.69 1.03 0.00 0.00 -1.26 -4.15 121.76 116.88 1ubu s ALA 170 Ca 0.05 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1ubu s ALA 170 Cb -0.01 -3.30 0.21 0.00 0.00 0.00 0.00 23.12 20.03 1ubu s ALA 170 CO -0.09 -0.80 1.20 -1.25 0.00 0.00 0.00 175.76 174.82 1ubu s PRO 171 N -3.66 0.12 0.17 0.00 0.04 -1.26 -4.95 135.00 125.46 1ubu s PRO 171 Ca 0.68 -0.11 -0.34 0.00 0.04 0.00 0.00 61.00 61.28 1ubu s PRO 171 Cb -0.19 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 1ubu s PRO 171 CO 0.31 -2.81 1.52 -1.91 0.04 0.00 0.00 177.00 174.15 1ubu n GLU 172 N -4.11 2.01 -4.48 4.56 2.13 -1.26 -4.91 120.64 114.58 1ubu n GLU 172 Ca 0.12 0.72 -0.30 0.00 0.66 0.00 0.00 57.16 58.36 1ubu n GLU 172 Cb 0.59 -2.46 -0.12 0.00 0.27 0.00 0.00 31.44 29.73 1ubu n GLU 172 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ubu s LEU 173 N 0.73 2.68 0.00 4.31 1.02 -1.26 -1.09 118.68 125.07 1ubu s LEU 173 Ca 0.78 -0.48 -0.07 0.00 0.02 0.00 0.00 54.13 54.38 1ubu s LEU 173 Cb -0.71 -1.55 0.09 0.00 0.02 0.00 0.00 46.19 44.04 1ubu s LEU 173 CO 0.41 0.22 0.53 -0.90 0.02 0.00 0.00 176.35 176.63 1ubu n ASP 174 N 1.18 0.05 0.00 2.29 5.68 0.13 -4.81 116.55 121.07 1ubu n ASP 174 Ca -0.16 -1.20 0.10 0.00 -0.50 0.00 0.00 54.79 53.03 1ubu n ASP 174 Cb 0.52 -0.41 0.50 0.00 -1.14 0.00 0.00 41.12 40.60 1ubu n ASP 174 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ubu n SER 175 N -3.34 0.00 -1.42 -1.12 3.41 -1.26 -0.81 113.62 109.08 1ubu n SER 175 Ca 0.07 0.08 0.09 0.00 -0.26 0.00 0.00 58.87 58.84 1ubu n SER 175 Cb 0.23 -0.32 0.33 0.00 -0.26 0.00 0.00 64.21 64.19 1ubu n SER 175 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ubu n LEU 176 N -1.32 4.52 -1.40 1.04 4.32 -1.26 -4.95 117.00 117.95 1ubu n LEU 176 Ca 0.09 -2.49 -0.15 0.00 -0.02 0.00 0.00 56.01 53.44 1ubu n LEU 176 Cb 0.18 -0.54 -0.03 0.00 -1.62 0.00 0.00 43.42 41.40 1ubu n LEU 176 CO 0.16 0.78 -0.16 -3.20 -1.22 0.00 0.00 177.39 173.75 1ubu n ASN 177 N 0.85 -4.59 -4.86 -1.43 5.15 0.01 -4.66 115.26 105.73 1ubu n ASN 177 Ca 0.24 0.17 -0.37 0.00 -0.60 0.00 0.00 54.58 54.01 1ubu n ASN 177 Cb 0.86 -3.56 -0.06 0.00 -0.53 0.00 0.00 39.78 36.48 1ubu n ASN 177 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1ubu s ARG 178 N -4.00 3.68 0.13 1.20 0.52 -1.25 -1.05 118.95 118.19 1ubu s ARG 178 Ca 0.00 0.14 -0.32 0.00 -0.52 0.00 0.00 55.73 55.04 1ubu s ARG 178 Cb 0.00 -3.21 -0.11 0.00 0.52 0.00 0.00 34.95 32.15 1ubu s ARG 178 CO 0.00 0.73 1.79 -2.30 0.02 0.00 0.00 175.30 175.54 1ubu n PRO 179 N 1.91 2.68 0.26 3.54 -0.02 -1.26 0.23 135.00 142.34 1ubu n PRO 179 Ca -0.17 0.97 0.17 0.00 -2.02 0.00 0.00 63.50 62.46 1ubu n PRO 179 Cb 0.54 -2.84 0.75 0.00 -0.02 0.00 0.00 33.50 31.92 1ubu n PRO 179 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ubu h THR 180 N 4.43 0.00 0.00 3.45 1.35 -1.42 -1.05 112.91 119.67 1ubu h THR 180 Ca -0.46 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1ubu h THR 180 Cb 1.22 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1ubu h THR 180 CO 0.94 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.21 1ubu h MET 181 N 0.00 0.00 0.00 4.72 -0.00 -1.89 -2.24 114.93 115.53 1ubu h MET 181 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1ubu h MET 181 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.98 1ubu h MET 181 CO 0.00 0.00 -1.09 1.19 -0.00 0.00 0.00 176.91 177.01 1ubu n PHE 182 N -2.47 0.00 -0.74 -0.10 3.72 -0.82 -4.76 117.46 112.28 1ubu n PHE 182 Ca 0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 1ubu n PHE 182 Cb 0.18 -0.06 0.18 0.00 -0.94 0.00 0.00 39.48 38.84 1ubu n PHE 182 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ubu n PHE 183 N -1.92 0.53 1.24 1.38 3.72 -0.46 -3.33 117.46 118.62 1ubu n PHE 183 Ca -0.02 -0.79 0.14 0.00 -0.05 0.00 0.00 57.45 56.73 1ubu n PHE 183 Cb 0.41 -0.19 0.63 0.00 -0.94 0.00 0.00 39.48 39.39 1ubu n PHE 183 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubu n GLY 184 N -0.52 -1.26 3.27 1.37 0.00 -0.84 -4.58 105.19 102.63 1ubu n GLY 184 Ca 0.16 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1ubu n GLY 184 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubu s GLN 185 N -2.73 1.08 0.62 1.61 -0.21 -1.26 -5.08 119.66 113.69 1ubu s GLN 185 Ca 0.22 -1.13 -0.16 0.00 0.02 0.00 0.00 55.36 54.31 1ubu s GLN 185 Cb 0.20 -1.30 -0.02 0.00 1.00 0.00 0.00 33.01 32.89 1ubu s GLN 185 CO 0.51 0.30 1.10 0.95 -2.12 0.00 0.00 175.29 176.03 1ubu s THR 186 N -1.19 3.39 0.36 -0.19 -4.23 -1.26 -2.74 115.64 109.78 1ubu s THR 186 Ca 0.05 0.68 0.12 0.00 -1.18 0.00 0.00 61.69 61.36 1ubu s THR 186 Cb -0.10 -3.20 0.09 0.00 1.34 0.00 0.00 72.50 70.62 1ubu s THR 186 CO 0.04 -0.37 1.81 -0.37 -0.54 0.00 0.00 174.62 175.19 1ubu h VAL 187 N 0.32 1.27 -0.82 2.29 -1.51 -0.78 -2.97 116.25 114.05 1ubu h VAL 187 Ca -0.47 -1.30 -0.01 0.00 -1.23 0.00 0.00 66.70 63.68 1ubu h VAL 187 Cb 1.24 1.68 -0.04 0.00 -2.13 0.00 0.00 31.29 32.04 1ubu h VAL 187 CO 0.55 0.38 0.47 -0.74 -1.23 0.00 0.00 177.57 177.00 1ubu h HIS 188 N 0.03 1.10 0.00 5.19 -0.00 -1.71 -1.59 115.15 118.18 1ubu h HIS 188 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1ubu h HIS 188 Cb 0.67 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1ubu h HIS 188 CO 0.00 0.76 0.00 1.05 -0.00 0.00 0.00 177.93 179.74 1ubu h GLU 189 N 1.13 0.00 -0.09 5.26 4.11 -1.82 -1.66 114.58 121.51 1ubu h GLU 189 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1ubu h GLU 189 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ubu h GLU 189 CO -0.05 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.07 1ubu n GLN 190 N -2.34 2.21 -3.08 1.06 6.02 -0.63 -5.01 117.38 115.61 1ubu n GLN 190 Ca 0.01 -1.77 -0.39 0.00 -0.01 0.00 0.00 57.00 54.84 1ubu n GLN 190 Cb 0.20 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 1ubu n GLN 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ubu n PRO 192 N 1.85 0.18 -0.04 0.00 -0.02 -1.26 -2.20 135.00 133.51 1ubu n PRO 192 Ca -0.07 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1ubu n PRO 192 Cb 0.50 -1.93 0.42 0.00 -0.02 0.00 0.00 33.50 32.47 1ubu n PRO 192 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ubu n ARG 193 N -2.29 1.79 -0.34 -0.52 1.74 -1.26 -4.43 116.66 111.35 1ubu n ARG 193 Ca 0.01 -1.16 0.09 0.00 -0.77 0.00 0.00 57.85 56.02 1ubu n ARG 193 Cb 0.15 -1.45 0.27 0.00 -1.02 0.00 0.00 32.46 30.41 1ubu n ARG 193 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ubu h LEU 194 N 2.61 0.75 -1.62 0.55 5.85 -1.74 0.14 115.31 121.84 1ubu h LEU 194 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1ubu h LEU 194 Cb 0.56 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1ubu h LEU 194 CO 0.00 0.32 0.26 -0.65 -0.34 0.00 0.00 178.44 178.03 1ubu h PRO 195 N 0.79 0.50 -0.33 5.25 0.11 -1.85 0.75 132.00 137.23 1ubu h PRO 195 Ca 0.52 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.49 1ubu h PRO 195 Cb 0.70 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1ubu h PRO 195 CO -0.34 0.33 -0.24 0.45 -0.21 0.00 0.00 178.00 178.00 1ubu h HIS 196 N 0.52 0.87 -0.31 0.65 3.86 -1.05 -2.42 115.15 117.27 1ubu h HIS 196 Ca 0.15 -0.24 0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1ubu h HIS 196 Cb -0.04 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.18 1ubu h HIS 196 CO -0.00 0.98 -0.10 0.35 0.86 0.00 0.00 177.93 180.02 1ubu h PHE 197 N 0.51 -0.23 -0.56 2.45 3.04 -0.90 0.12 116.94 121.37 1ubu h PHE 197 Ca 0.06 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.13 1ubu h PHE 197 Cb 0.79 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.42 1ubu h PHE 197 CO 0.07 -0.17 0.38 -0.44 -2.02 0.00 0.00 178.31 176.13 1ubu h ASP 198 N -0.04 0.34 -0.11 0.41 3.32 -0.74 -1.32 116.42 118.28 1ubu h ASP 198 Ca 0.15 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1ubu h ASP 198 Cb 0.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1ubu h ASP 198 CO -0.34 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.39 1ubu n ALA 199 N -2.52 2.53 -2.65 3.45 0.00 -0.61 -4.91 120.51 115.81 1ubu n ALA 199 Ca 0.09 -0.52 -0.18 0.00 0.00 0.00 0.00 53.44 52.83 1ubu n ALA 199 Cb 0.35 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.72 1ubu n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubu n GLY 200 N 1.18 -0.31 3.36 0.00 0.00 -0.50 -4.95 105.19 103.97 1ubu n GLY 200 Ca 0.17 -0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 1ubu n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubu s GLU 201 N -5.22 3.44 -0.06 1.61 2.02 0.33 -5.02 118.70 115.80 1ubu s GLU 201 Ca 0.15 -2.05 0.03 0.00 0.02 0.00 0.00 54.97 53.11 1ubu s GLU 201 Cb -0.06 -4.48 -0.03 0.00 0.10 0.00 0.00 34.13 29.66 1ubu s GLU 201 CO 0.18 -1.43 -0.12 -0.06 0.02 0.00 0.00 175.26 173.85 1ubu s PHE 202 N 1.23 2.77 0.10 1.61 0.08 -1.26 -1.98 117.98 120.53 1ubu s PHE 202 Ca 0.18 -0.12 -0.31 0.00 0.12 0.00 0.00 56.93 56.80 1ubu s PHE 202 Cb -0.14 -1.66 -0.07 0.00 -0.57 0.00 0.00 43.02 40.58 1ubu s PHE 202 CO -0.05 0.22 1.34 0.00 -0.10 0.00 0.00 175.22 176.63 1ubu s ALA 203 N -0.73 3.54 -0.83 5.36 0.00 -0.06 -4.87 121.76 124.17 1ubu s ALA 203 Ca 0.11 1.05 0.26 0.00 0.00 0.00 0.00 51.96 53.38 1ubu s ALA 203 Cb -0.11 -3.51 0.64 0.00 0.00 0.00 0.00 23.12 20.14 1ubu s ALA 203 CO 0.01 -0.56 1.54 -0.35 0.00 0.00 0.00 175.76 176.40 1ubu n PRO 204 N 3.92 0.15 -3.57 0.00 -0.04 -1.26 -4.40 135.00 129.79 1ubu n PRO 204 Ca 0.11 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1ubu n PRO 204 Cb 0.43 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 1ubu n PRO 204 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ubu s SER 205 N -3.68 -0.41 0.38 3.54 1.04 -1.26 -4.94 113.70 108.36 1ubu s SER 205 Ca 0.10 -0.17 0.20 0.00 0.48 0.00 0.00 55.95 56.56 1ubu s SER 205 Cb 0.15 0.56 0.66 0.00 0.10 0.00 0.00 66.02 67.50 1ubu s SER 205 CO 0.66 -0.95 1.72 -0.26 0.98 0.00 0.00 173.24 175.39 1ubu h PHE 206 N 2.00 0.00 -0.00 5.02 0.04 -1.98 -2.91 116.94 119.12 1ubu h PHE 206 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1ubu h PHE 206 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1ubu h PHE 206 CO 0.29 0.35 -0.09 -0.85 -0.60 0.00 0.00 178.31 177.41 1ubu n GLU 207 N -3.46 0.19 -1.39 1.51 0.00 -1.26 -4.70 120.64 111.53 1ubu n GLU 207 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 57.16 56.81 1ubu n GLU 207 Cb 0.52 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.53 1ubu n GLU 207 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1ubu s SER 208 N -2.84 4.74 0.38 -1.84 1.04 -1.10 -4.88 113.70 109.20 1ubu s SER 208 Ca 0.19 1.82 0.11 0.00 0.48 0.00 0.00 55.95 58.54 1ubu s SER 208 Cb 0.19 -2.52 0.75 0.00 0.10 0.00 0.00 66.02 64.54 1ubu s SER 208 CO 0.53 -1.88 1.87 -0.33 0.98 0.00 0.00 173.24 174.42 1ubu h GLU 209 N -0.87 0.14 -0.62 4.02 4.39 -1.92 -1.73 114.58 118.00 1ubu h GLU 209 Ca -0.44 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1ubu h GLU 209 Cb 1.23 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 1ubu h GLU 209 CO 0.53 0.38 0.40 0.93 -1.16 0.00 0.00 179.01 180.09 1ubu h GLU 210 N 0.13 0.82 -0.48 2.33 3.07 -1.92 0.62 114.58 119.16 1ubu h GLU 210 Ca 0.02 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1ubu h GLU 210 Cb 0.51 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1ubu h GLU 210 CO 0.04 0.56 0.16 0.00 -1.40 0.00 0.00 179.01 178.37 1ubu h ALA 211 N 1.22 0.63 -0.81 3.43 0.00 -1.67 -0.57 119.26 121.48 1ubu h ALA 211 Ca 0.23 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1ubu h ALA 211 Cb -0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.45 1ubu h ALA 211 CO -0.05 0.26 0.46 -0.09 0.00 0.00 0.00 179.25 179.84 1ubu h ARG 212 N 0.64 0.75 -0.00 0.00 2.43 -0.88 -0.44 114.38 116.87 1ubu h ARG 212 Ca 0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1ubu h ARG 212 Cb 0.25 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ubu h ARG 212 CO -0.01 0.49 0.00 1.63 -1.51 0.00 0.00 179.97 180.58 1ubu n LYS 213 N -4.76 1.04 -0.56 0.20 5.02 0.17 -4.91 118.16 114.37 1ubu n LYS 213 Ca 0.13 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1ubu n LYS 213 Cb 0.28 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1ubu n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubu n GLY 214 N 0.93 0.66 3.65 0.72 0.00 -0.17 -5.05 105.19 105.93 1ubu n GLY 214 Ca 0.20 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1ubu n GLY 214 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ubu s TRP 215 N -2.00 2.00 0.47 1.61 0.52 -0.28 -4.87 118.94 116.39 1ubu s TRP 215 Ca 0.00 1.12 -0.24 0.00 0.02 0.00 0.00 56.10 57.00 1ubu s TRP 215 Cb 0.00 -3.21 -0.07 0.00 -1.15 0.00 0.00 33.47 29.04 1ubu s TRP 215 CO 0.00 -2.95 1.31 0.00 0.02 0.00 0.00 176.95 175.33 1ubu n LEU 217 N -0.47 3.77 -0.27 0.00 4.77 -1.26 -0.88 117.00 122.65 1ubu n LEU 217 Ca 0.07 -1.89 -0.05 0.00 -0.03 0.00 0.00 56.01 54.11 1ubu n LEU 217 Cb 0.45 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1ubu n LEU 217 CO 0.53 0.77 1.13 0.22 -1.33 0.00 0.00 177.39 178.71 1ubu h TYR 218 N 3.59 1.02 0.00 -1.77 5.03 -1.91 -1.30 116.97 121.63 1ubu h TYR 218 Ca 0.00 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1ubu h TYR 218 Cb 1.07 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 39.02 1ubu h TYR 218 CO 0.55 0.71 -0.08 1.49 -1.32 0.00 0.00 178.16 179.50 1ubu h GLU 219 N 1.03 0.00 -0.58 1.82 4.81 -1.82 -1.30 114.58 118.55 1ubu h GLU 219 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1ubu h GLU 219 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ubu h GLU 219 CO -0.04 0.08 0.00 1.28 -0.73 0.00 0.00 179.01 179.60 1ubu n LEU 220 N -3.34 2.87 0.00 1.64 4.32 -0.56 -4.58 117.00 117.35 1ubu n LEU 220 Ca -0.01 -1.44 0.00 0.00 -0.02 0.00 0.00 56.01 54.54 1ubu n LEU 220 Cb 0.27 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1ubu n LEU 220 CO 0.28 0.51 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 1ubu n GLY 221 N 0.78 0.72 3.68 -0.72 0.00 -0.49 -4.35 105.19 104.81 1ubu n GLY 221 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 1ubu n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubu n LYS 223 N 3.31 2.82 -0.31 0.00 4.76 -0.16 -4.54 118.16 124.04 1ubu n LYS 223 Ca 0.16 -2.66 0.11 0.00 -2.87 0.00 0.00 58.31 53.05 1ubu n LYS 223 Cb 0.30 -1.61 0.25 0.00 -1.84 0.00 0.00 35.03 32.13 1ubu n LYS 223 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1ubu h GLY 224 N 4.39 1.13 2.00 0.72 0.00 -1.90 -1.15 103.07 108.26 1ubu h GLY 224 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ubu h GLY 224 CO 0.03 -0.41 0.00 -2.55 0.00 0.00 0.00 176.54 173.61 1ubu h PRO 225 N 0.08 0.00 -0.05 4.80 0.11 -1.94 -2.58 132.00 132.42 1ubu h PRO 225 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1ubu h PRO 225 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ubu h PRO 225 CO -0.78 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.34 1ubu n VAL 226 N -2.89 1.85 -5.05 3.15 0.24 -0.46 -4.91 118.33 110.26 1ubu n VAL 226 Ca -0.02 -2.05 -0.30 0.00 -2.04 0.00 0.00 64.34 59.93 1ubu n VAL 226 Cb 0.13 -0.15 -0.17 0.00 -1.47 0.00 0.00 33.84 32.18 1ubu n VAL 226 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ubu s THR 227 N -2.64 1.81 -0.26 3.34 2.01 -1.05 -4.98 115.64 113.87 1ubu s THR 227 Ca 0.30 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 1ubu s THR 227 Cb 0.26 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1ubu s THR 227 CO 0.04 0.50 0.15 -0.04 -0.69 0.00 0.00 174.62 174.58 1ubu s MET 228 N 0.38 3.90 0.01 4.92 1.00 -1.26 -0.41 119.30 127.83 1ubu s MET 228 Ca -0.17 -0.35 -0.30 0.00 0.00 0.00 0.00 55.69 54.88 1ubu s MET 228 Cb -0.17 -3.54 0.11 0.00 0.00 0.00 0.00 34.83 31.23 1ubu s MET 228 CO 0.07 -0.12 1.21 1.21 0.00 0.00 0.00 175.02 177.39 1ubu s ASN 229 N 1.55 -0.09 -0.28 3.03 3.04 -1.11 -4.78 114.94 116.29 1ubu s ASN 229 Ca 0.07 -0.18 0.10 0.00 0.04 0.00 0.00 52.86 52.89 1ubu s ASN 229 Cb -0.15 0.23 0.54 0.00 -1.54 0.00 0.00 41.25 40.33 1ubu s ASN 229 CO 0.08 -0.42 1.52 -0.46 -3.04 0.00 0.00 177.10 174.78 1ubu n ASN 230 N -0.45 3.08 -0.12 -4.21 2.04 -1.21 -4.10 115.26 110.29 1ubu n ASN 230 Ca -0.07 -3.54 -0.04 0.00 -0.44 0.00 0.00 54.58 50.48 1ubu n ASN 230 Cb 0.62 -0.64 0.03 0.00 -2.53 0.00 0.00 39.78 37.26 1ubu n ASN 230 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ubu h PRO 232 N 0.12 0.00 0.00 0.00 0.11 -1.87 0.19 132.00 130.55 1ubu h PRO 232 Ca 0.20 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.24 1ubu h PRO 232 Cb 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1ubu h PRO 232 CO -0.33 0.01 -0.64 -0.22 -0.21 0.00 0.00 178.00 176.61 1ubu h LYS 233 N 0.00 0.00 0.07 1.05 3.64 -1.67 -3.40 116.57 116.26 1ubu h LYS 233 Ca -0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1ubu h LYS 233 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1ubu h LYS 233 CO 0.00 0.42 -1.51 0.82 -2.27 0.00 0.00 179.45 176.91 1ubu h ILE 234 N -1.00 1.14 -2.67 2.00 1.08 -1.38 -3.51 117.51 113.18 1ubu h ILE 234 Ca -0.12 -2.86 0.28 0.00 -0.39 0.00 0.00 64.86 61.78 1ubu h ILE 234 Cb 0.74 2.67 -0.07 0.00 -3.07 0.00 0.00 36.82 37.10 1ubu h ILE 234 CO -0.07 0.77 -0.37 0.29 -0.69 0.00 0.00 178.15 178.08 1ubu n LYS 235 N -3.33 -2.07 -5.10 2.37 5.02 0.05 -4.70 118.16 110.40 1ubu n LYS 235 Ca -0.15 1.36 -0.31 0.00 -2.02 0.00 0.00 58.31 57.20 1ubu n LYS 235 Cb 1.03 -2.52 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 1ubu n LYS 235 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ubu s PHE 236 N -1.65 2.39 -1.61 2.13 0.08 0.58 -4.67 117.98 115.23 1ubu s PHE 236 Ca 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1ubu s PHE 236 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1ubu s PHE 236 CO 0.00 0.06 0.00 0.09 -0.10 0.00 0.00 175.22 175.27 1ubu n ASN 237 N 2.18 -5.05 -1.24 1.36 4.13 -1.26 -0.94 115.26 114.45 1ubu n ASN 237 Ca -0.16 0.16 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 1ubu n ASN 237 Cb 0.51 -4.30 -0.06 0.00 -1.54 0.00 0.00 39.78 34.39 1ubu n ASN 237 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ubu n GLN 238 N -2.74 -1.10 0.00 3.52 3.00 -1.26 -4.75 117.38 114.05 1ubu n GLN 238 Ca -0.20 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1ubu n GLN 238 Cb 0.64 -5.21 0.00 0.00 0.00 0.00 0.00 30.24 25.67 1ubu n GLN 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1ubu n THR 239 N -2.63 0.00 -3.91 5.09 5.66 -0.11 -5.10 114.28 113.28 1ubu n THR 239 Ca -0.16 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 1ubu n THR 239 Cb 0.52 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.29 1ubu n THR 239 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ubu s ASN 240 N -0.33 0.04 0.18 1.09 3.84 -0.87 -4.94 114.94 113.95 1ubu s ASN 240 Ca 0.00 -0.99 -0.20 0.00 0.21 0.00 0.00 52.86 51.89 1ubu s ASN 240 Cb 0.00 0.73 0.04 0.00 -0.55 0.00 0.00 41.25 41.47 1ubu s ASN 240 CO 0.00 -1.41 0.55 -1.66 -2.79 0.00 0.00 177.10 171.79 1ubu s TRP 241 N -3.29 -0.30 0.20 0.43 1.48 -1.26 -0.31 118.94 115.89 1ubu s TRP 241 Ca 0.18 -0.00 -0.18 0.00 -1.06 0.00 0.00 56.10 55.04 1ubu s TRP 241 Cb -0.04 0.46 0.17 0.00 -1.16 0.00 0.00 33.47 32.90 1ubu s TRP 241 CO 0.11 -0.89 1.60 -1.35 -4.06 0.00 0.00 176.95 172.36 1ubu h PRO 242 N 2.13 -0.11 0.00 3.25 0.11 -1.95 -1.90 132.00 133.53 1ubu h PRO 242 Ca -0.31 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1ubu h PRO 242 Cb 1.28 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ubu h PRO 242 CO 0.38 -0.07 -0.10 -0.39 -0.21 0.00 0.00 178.00 177.61 1ubu h VAL 243 N -0.11 0.18 0.00 3.15 -1.51 -1.87 -0.69 116.25 115.39 1ubu h VAL 243 Ca 0.26 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1ubu h VAL 243 Cb 0.53 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1ubu h VAL 243 CO -0.68 0.09 0.00 0.44 -1.23 0.00 0.00 177.57 176.20 1ubu h ASP 244 N 0.00 0.00 -0.15 4.19 3.32 -1.68 0.39 116.42 122.50 1ubu h ASP 244 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ubu h ASP 244 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1ubu h ASP 244 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1ubu n ALA 245 N -2.00 2.53 -0.65 3.45 0.00 -0.32 -4.93 120.51 118.58 1ubu n ALA 245 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1ubu n ALA 245 Cb 0.22 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ubu n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubu n GLY 246 N 1.01 0.73 3.49 0.00 0.00 0.13 -5.05 105.19 105.49 1ubu n GLY 246 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ubu n GLY 246 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubu s HIS 247 N -2.48 2.70 0.67 1.61 5.65 -0.83 -4.99 115.29 117.62 1ubu s HIS 247 Ca 0.00 -0.16 -0.17 0.00 0.25 0.00 0.00 55.06 54.98 1ubu s HIS 247 Cb 0.00 -1.59 0.00 0.00 -1.18 0.00 0.00 32.58 29.81 1ubu s HIS 247 CO 0.00 0.22 1.27 -1.25 -0.65 0.00 0.00 174.74 174.33 1ubu s PRO 248 N -0.96 2.42 0.33 2.88 0.04 -1.26 -3.06 135.00 135.39 1ubu s PRO 248 Ca 0.13 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 1ubu s PRO 248 Cb -0.11 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1ubu s PRO 248 CO 0.02 -1.68 1.47 0.00 0.04 0.00 0.00 177.00 176.86 1ubu n ILE 250 N 1.15 0.72 -1.60 0.00 -5.35 -1.26 -0.99 119.36 112.03 1ubu n ILE 250 Ca 0.03 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 1ubu n ILE 250 Cb 0.39 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 1ubu n ILE 250 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ubu n GLY 251 N 1.01 0.69 0.00 3.28 0.00 -1.26 -4.84 105.19 104.06 1ubu n GLY 251 Ca 0.15 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.57 1ubu n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubu n SER 253 N -1.19 3.84 -4.74 0.00 3.41 -1.26 -3.54 113.62 110.15 1ubu n SER 253 Ca 0.13 -2.01 -0.31 0.00 -0.26 0.00 0.00 58.87 56.43 1ubu n SER 253 Cb 0.15 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 1ubu n SER 253 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ubu s GLU 254 N -1.05 2.81 0.52 4.33 0.41 -0.75 -4.54 118.70 120.43 1ubu s GLU 254 Ca 0.48 -0.67 -0.23 0.00 -0.41 0.00 0.00 54.97 54.14 1ubu s GLU 254 Cb 0.25 -2.69 -0.06 0.00 -1.78 0.00 0.00 34.13 29.85 1ubu s GLU 254 CO 0.32 0.59 1.38 -1.25 -0.49 0.00 0.00 175.26 175.81 1ubu s PRO 255 N -2.09 3.27 -1.42 0.39 0.04 -1.26 -2.52 135.00 131.40 1ubu s PRO 255 Ca 0.25 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1ubu s PRO 255 Cb -0.12 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1ubu s PRO 255 CO 0.17 -1.11 0.00 -0.25 0.04 0.00 0.00 177.00 175.86 1ubu n ASP 256 N -0.83 -4.63 0.21 6.66 8.00 -1.26 -4.83 116.55 119.87 1ubu n ASP 256 Ca 0.09 0.16 0.07 0.00 0.71 0.00 0.00 54.79 55.82 1ubu n ASP 256 Cb 0.44 -3.95 0.47 0.00 -0.02 0.00 0.00 41.12 38.06 1ubu n ASP 256 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1ubu h PHE 257 N 0.00 0.00 -0.26 1.24 -5.15 -1.79 0.69 116.94 111.68 1ubu h PHE 257 Ca -0.37 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.48 1ubu h PHE 257 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.39 1ubu h PHE 257 CO 0.60 0.28 0.19 -1.49 -2.00 0.00 0.00 178.31 175.90 1ubu h TRP 258 N 0.00 0.00 0.00 6.09 4.06 -1.88 0.21 115.95 124.44 1ubu h TRP 258 Ca -0.00 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.65 1ubu h TRP 258 Cb 0.60 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.71 1ubu h TRP 258 CO 0.00 0.00 -2.11 -0.25 -3.56 0.00 0.00 178.44 172.52 1ubu n ASP 259 N -4.37 1.43 0.10 -3.49 8.00 -0.64 -4.25 116.55 113.34 1ubu n ASP 259 Ca 0.03 -0.03 -0.05 0.00 0.71 0.00 0.00 54.79 55.46 1ubu n ASP 259 Cb 0.35 0.57 0.05 0.00 -0.02 0.00 0.00 41.12 42.07 1ubu n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubu h ALA 260 N 0.58 0.70 -0.08 2.24 0.00 -0.69 -3.31 119.26 118.70 1ubu h ALA 260 Ca -0.44 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1ubu h ALA 260 Cb 1.91 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1ubu h ALA 260 CO -0.00 0.92 0.00 -1.33 0.00 0.00 0.00 179.25 178.84 1ubu n MET 261 N -3.66 1.93 -3.43 0.00 2.81 0.04 -4.94 117.12 109.88 1ubu n MET 261 Ca -0.02 -1.80 -0.30 0.00 -1.81 0.00 0.00 57.70 53.78 1ubu n MET 261 Cb 0.74 -1.40 -0.04 0.00 -0.71 0.00 0.00 33.22 31.81 1ubu n MET 261 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ubu s THR 262 N -1.64 5.02 0.35 2.03 -4.23 -1.25 -3.78 115.64 112.14 1ubu s THR 262 Ca 0.26 0.20 -0.29 0.00 -1.18 0.00 0.00 61.69 60.68 1ubu s THR 262 Cb 0.18 -3.67 -0.11 0.00 1.34 0.00 0.00 72.50 70.24 1ubu s THR 262 CO 0.26 -0.17 1.41 -2.84 -0.54 0.00 0.00 174.62 172.74 1ubu s PRO 263 N -3.13 4.23 0.52 3.99 0.02 -1.26 -5.00 135.00 134.37 1ubu s PRO 263 Ca 0.45 2.40 0.31 0.00 0.02 0.00 0.00 61.00 64.17 1ubu s PRO 263 Cb -0.11 -3.02 1.34 0.00 0.02 0.00 0.00 34.50 32.73 1ubu s PRO 263 CO 0.26 -0.37 1.99 0.74 -0.33 0.00 0.00 177.00 179.28 1ubu h PHE 264 N 3.35 0.00 -0.57 6.54 0.04 -1.93 -2.64 116.94 121.73 1ubu h PHE 264 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1ubu h PHE 264 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1ubu h PHE 264 CO 0.55 0.09 0.00 0.66 -0.60 0.00 0.00 178.31 179.00 1ubu n TYR 265 N -3.27 1.79 -4.76 -0.55 4.01 -1.26 -4.33 117.16 108.78 1ubu n TYR 265 Ca -0.00 -0.71 -0.30 0.00 -0.16 0.00 0.00 57.90 56.74 1ubu n TYR 265 Cb 0.31 -0.41 -0.14 0.00 -0.31 0.00 0.00 39.34 38.79 1ubu n TYR 265 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1ubu s GLN 266 N -2.48 1.68 0.00 -0.72 -0.21 -1.00 -3.85 119.66 113.08 1ubu s GLN 266 Ca 0.52 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.74 1ubu s GLN 266 Cb 0.38 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.46 1ubu s GLN 266 CO 0.18 0.49 0.27 0.09 -2.12 0.00 0.00 175.29 174.20