#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubr s MET 2 N 0.00 0.51 0.00 3.23 -2.45 -1.26 -4.83 119.30 114.50 1ubr s MET 2 Ca 0.00 0.02 0.00 0.00 -1.25 0.00 0.00 55.69 54.46 1ubr s MET 2 Cb 0.00 0.24 0.00 0.00 1.25 0.00 0.00 34.83 36.32 1ubr s MET 2 CO 0.00 -0.18 0.00 0.41 1.05 0.00 0.00 175.02 176.30 1ubr n GLY 3 N 0.45 -1.06 0.00 2.11 0.00 -1.26 -4.99 105.19 100.43 1ubr n GLY 3 Ca -0.07 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1ubr n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ubr n PRO 4 N -0.21 2.83 -0.31 1.61 -0.02 -1.26 -4.74 135.00 132.91 1ubr n PRO 4 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 1ubr n PRO 4 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 33.50 33.85 1ubr n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ubr h ARG 5 N 0.00 0.67 -5.95 -0.52 3.08 -2.04 -3.43 114.38 106.19 1ubr h ARG 5 Ca 0.00 -0.04 -0.62 0.00 0.07 0.00 0.00 59.98 59.39 1ubr h ARG 5 Cb 0.00 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 1ubr h ARG 5 CO 0.00 0.44 -0.30 1.03 -1.07 0.00 0.00 179.97 180.07 1ubr s ARG 6 N -5.72 3.72 0.25 0.04 0.52 -1.26 -5.03 118.95 111.46 1ubr s ARG 6 Ca -0.10 0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 1ubr s ARG 6 Cb 0.23 -3.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.48 1ubr s ARG 6 CO 0.80 0.66 1.43 -1.25 0.02 0.00 0.00 175.30 176.95 1ubr s PRO 7 N -1.46 4.28 0.05 3.54 0.04 -1.26 -4.45 135.00 135.73 1ubr s PRO 7 Ca 0.26 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 1ubr s PRO 7 Cb -0.14 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1ubr s PRO 7 CO 0.14 -0.40 0.98 0.45 0.04 0.00 0.00 177.00 178.20 1ubr s SER 8 N 0.33 7.42 -0.09 6.66 0.15 -1.26 -0.28 113.70 126.63 1ubr s SER 8 Ca 0.59 1.73 0.04 0.00 0.70 0.00 0.00 55.95 59.00 1ubr s SER 8 Cb -0.41 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 1ubr s SER 8 CO 0.43 -0.18 -0.21 -0.69 1.20 0.00 0.00 173.24 173.79 1ubr s VAL 9 N 0.58 1.85 -0.23 4.45 1.01 0.45 -0.57 120.40 127.93 1ubr s VAL 9 Ca 0.50 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1ubr s VAL 9 Cb -0.22 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1ubr s VAL 9 CO 0.29 0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 175.21 1ubr s VAL 10 N 0.36 3.64 -0.23 2.92 1.01 -0.03 -0.81 120.40 127.25 1ubr s VAL 10 Ca -0.16 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1ubr s VAL 10 Cb -0.17 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1ubr s VAL 10 CO 0.07 0.37 -0.03 -0.47 0.00 0.00 0.00 175.10 175.05 1ubr s TYR 11 N 1.51 3.00 0.01 5.22 5.04 -0.37 -1.11 117.35 130.66 1ubr s TYR 11 Ca 0.06 -1.02 0.02 0.00 -2.44 0.00 0.00 57.07 53.69 1ubr s TYR 11 Cb -0.15 -2.12 -0.04 0.00 0.35 0.00 0.00 41.96 40.01 1ubr s TYR 11 CO -0.01 -0.57 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.09 1ubr s LEU 12 N 1.46 3.38 -0.24 6.97 1.43 -0.11 -4.12 118.68 127.44 1ubr s LEU 12 Ca 0.05 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1ubr s LEU 12 Cb -0.15 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.15 1ubr s LEU 12 CO -0.03 0.27 -0.10 -1.00 0.23 0.00 0.00 176.35 175.73 1ubr s HIS 13 N -1.08 3.09 0.00 0.29 3.76 -1.26 -0.90 115.29 119.19 1ubr s HIS 13 Ca 0.19 -1.82 0.00 0.00 -0.15 0.00 0.00 55.06 53.28 1ubr s HIS 13 Cb -0.11 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1ubr s HIS 13 CO 0.10 -0.79 0.00 0.09 -0.85 0.00 0.00 174.74 173.28 1ubr n ASN 14 N 4.59 0.00 -4.45 1.40 3.02 0.32 -4.97 115.26 115.17 1ubr n ASN 14 Ca -0.16 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.95 1ubr n ASN 14 Cb 0.46 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 1ubr n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ubr s ALA 15 N -3.11 3.28 0.16 5.41 0.00 -0.21 -4.88 121.76 122.41 1ubr s ALA 15 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.06 1ubr s ALA 15 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1ubr s ALA 15 CO 0.00 -2.32 0.44 -1.83 0.00 0.00 0.00 175.76 172.05 1ubr s GLU 16 N 3.24 1.23 0.00 0.00 4.04 -1.26 -1.30 118.70 124.64 1ubr s GLU 16 Ca 0.19 -0.86 0.16 0.00 0.04 0.00 0.00 54.97 54.51 1ubr s GLU 16 Cb -0.18 0.48 -0.01 0.00 0.02 0.00 0.00 34.13 34.44 1ubr s GLU 16 CO 0.12 -0.50 0.85 0.00 -1.84 0.00 0.00 175.26 173.90 1ubr n THR 18 N -0.14 0.00 0.04 0.00 -1.04 -1.26 -4.88 114.28 107.01 1ubr n THR 18 Ca 0.07 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1ubr n THR 18 Cb 0.34 -0.13 0.29 0.00 -1.82 0.00 0.00 70.33 69.01 1ubr n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1ubr h GLY 19 N 0.00 0.44 0.97 3.41 0.00 -1.98 -0.66 103.07 105.25 1ubr h GLY 19 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 1ubr h GLY 19 CO 0.00 0.28 -0.40 0.00 0.00 0.00 0.00 176.54 176.42 1ubr h SER 21 N 0.37 0.38 -0.58 0.00 0.02 -1.89 -2.08 113.55 109.76 1ubr h SER 21 Ca 0.01 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1ubr h SER 21 Cb 1.00 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1ubr h SER 21 CO 0.09 0.23 0.25 -0.33 -1.14 0.00 0.00 176.83 175.93 1ubr h GLU 22 N 0.53 0.89 -0.37 3.45 4.39 -0.94 -1.98 114.58 120.55 1ubr h GLU 22 Ca 0.31 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1ubr h GLU 22 Cb 0.30 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1ubr h GLU 22 CO -0.25 0.73 0.20 0.66 -1.16 0.00 0.00 179.01 179.19 1ubr h SER 23 N 0.88 0.44 0.23 1.42 4.64 -0.27 -1.49 113.55 119.40 1ubr h SER 23 Ca 0.21 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.39 1ubr h SER 23 Cb 0.17 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1ubr h SER 23 CO -0.02 0.36 -0.43 0.58 -0.87 0.00 0.00 176.83 176.46 1ubr h VAL 24 N 0.51 1.32 0.00 0.95 2.07 -1.04 -0.76 116.25 119.30 1ubr h VAL 24 Ca 0.13 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1ubr h VAL 24 Cb 0.02 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ubr h VAL 24 CO -0.02 0.47 0.00 -0.07 0.02 0.00 0.00 177.57 177.97 1ubr h LEU 25 N 0.21 0.00 -0.77 2.57 4.07 -1.08 -1.29 115.31 119.03 1ubr h LEU 25 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1ubr h LEU 25 Cb 0.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1ubr h LEU 25 CO 0.07 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.97 1ubr n ARG 26 N -2.83 1.49 -1.59 1.13 5.12 -0.29 -4.69 116.66 115.00 1ubr n ARG 26 Ca -0.01 -0.76 -0.46 0.00 -1.93 0.00 0.00 57.85 54.70 1ubr n ARG 26 Cb 0.17 -1.26 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 1ubr n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ubr n ALA 27 N 0.05 -0.27 -3.85 7.54 0.00 -0.49 -4.95 120.51 118.55 1ubr n ALA 27 Ca 0.11 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.70 1ubr n ALA 27 Cb 0.21 -2.04 -0.17 0.00 0.00 0.00 0.00 19.45 17.45 1ubr n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ubr s PHE 28 N -0.78 1.20 -0.81 0.00 5.36 -1.26 -4.04 117.98 117.66 1ubr s PHE 28 Ca 0.63 -0.59 -0.01 0.00 -0.96 0.00 0.00 56.93 55.99 1ubr s PHE 28 Cb -0.73 -1.08 -0.00 0.00 -0.34 0.00 0.00 43.02 40.86 1ubr s PHE 28 CO 0.57 -0.47 0.66 0.39 -1.46 0.00 0.00 175.22 174.91 1ubr n GLU 29 N 5.01 -1.42 -3.01 10.12 -0.58 -1.26 -4.64 120.64 124.86 1ubr n GLU 29 Ca -0.10 1.05 -0.32 0.00 -0.42 0.00 0.00 57.16 57.37 1ubr n GLU 29 Cb 0.50 -3.88 -0.05 0.00 -0.57 0.00 0.00 31.44 27.43 1ubr n GLU 29 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ubr s PRO 30 N -4.18 3.98 0.70 3.49 0.04 -1.26 -5.19 135.00 132.57 1ubr s PRO 30 Ca 0.03 0.69 -0.09 0.00 0.04 0.00 0.00 61.00 61.67 1ubr s PRO 30 Cb -0.01 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 32.19 1ubr s PRO 30 CO 0.83 0.07 1.04 0.71 0.04 0.00 0.00 177.00 179.70 1ubr s TYR 31 N -2.12 3.12 0.39 0.56 1.51 -1.26 -4.71 117.35 114.84 1ubr s TYR 31 Ca 0.55 0.73 0.12 0.00 -1.01 0.00 0.00 57.07 57.46 1ubr s TYR 31 Cb -0.10 -3.11 0.78 0.00 -0.11 0.00 0.00 41.96 39.42 1ubr s TYR 31 CO 0.21 -1.28 1.87 0.97 -1.11 0.00 0.00 175.55 176.21 1ubr h ILE 32 N -0.60 1.23 -0.36 2.71 6.09 -1.84 -1.23 117.51 123.50 1ubr h ILE 32 Ca -0.45 -1.08 -0.07 0.00 -1.37 0.00 0.00 64.86 61.90 1ubr h ILE 32 Cb 1.29 1.55 -0.01 0.00 0.47 0.00 0.00 36.82 40.11 1ubr h ILE 32 CO 0.63 0.31 -0.03 -2.24 -3.07 0.00 0.00 178.15 173.75 1ubr h ASP 33 N 0.04 0.66 -0.71 2.19 2.03 -1.95 -0.64 116.42 118.03 1ubr h ASP 33 Ca 0.00 -0.33 0.05 0.00 -0.73 0.00 0.00 57.03 56.02 1ubr h ASP 33 Cb 0.55 -0.18 -0.05 0.00 -0.83 0.00 0.00 39.33 38.83 1ubr h ASP 33 CO 0.04 0.83 0.42 0.74 -1.03 0.00 0.00 179.24 180.24 1ubr h THR 34 N 0.47 1.03 -0.36 1.15 2.02 -1.82 0.17 112.91 115.57 1ubr h THR 34 Ca 0.10 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1ubr h THR 34 Cb 0.51 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1ubr h THR 34 CO 0.02 0.15 0.16 -0.07 0.37 0.00 0.00 175.52 176.15 1ubr h LEU 35 N 0.80 0.22 0.00 2.58 -0.00 -0.97 0.27 115.31 118.21 1ubr h LEU 35 Ca 0.30 0.02 -0.14 0.00 -0.00 0.00 0.00 57.88 58.07 1ubr h LEU 35 Cb 0.12 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1ubr h LEU 35 CO -0.15 0.17 -0.67 0.40 -0.00 0.00 0.00 178.44 178.18 1ubr h ILE 36 N 0.34 1.09 0.02 1.22 1.08 -0.81 -0.72 117.51 119.72 1ubr h ILE 36 Ca 0.16 -2.55 -0.34 0.00 -0.39 0.00 0.00 64.86 61.74 1ubr h ILE 36 Cb 0.09 2.53 -0.06 0.00 -3.07 0.00 0.00 36.82 36.31 1ubr h ILE 36 CO -0.13 0.62 -2.08 0.18 -0.69 0.00 0.00 178.15 176.05 1ubr n LEU 37 N -3.25 1.03 -0.04 1.44 4.32 0.02 -4.60 117.00 115.93 1ubr n LEU 37 Ca 0.01 0.18 -0.06 0.00 -0.02 0.00 0.00 56.01 56.11 1ubr n LEU 37 Cb 0.80 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.57 1ubr n LEU 37 CO 0.42 0.55 -0.74 0.47 -1.22 0.00 0.00 177.39 176.87 1ubr n ASP 38 N -3.02 2.40 0.06 -1.43 8.00 0.87 -4.85 116.55 118.59 1ubr n ASP 38 Ca -0.28 0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.01 1ubr n ASP 38 Cb 1.08 -0.15 -0.15 0.00 -0.02 0.00 0.00 41.12 41.89 1ubr n ASP 38 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1ubr h THR 39 N -0.10 0.92 -3.59 -3.53 2.02 -1.17 -3.48 112.91 103.97 1ubr h THR 39 Ca -0.17 -2.53 -0.31 0.00 0.77 0.00 0.00 66.41 64.17 1ubr h THR 39 Cb 1.22 2.71 -0.15 0.00 -1.74 0.00 0.00 68.15 70.20 1ubr h THR 39 CO -0.06 0.85 -0.67 -0.76 0.37 0.00 0.00 175.52 175.25 1ubr s LEU 40 N -7.18 2.25 -0.31 2.58 1.02 -0.29 -4.32 118.68 112.42 1ubr s LEU 40 Ca -0.16 -1.14 -0.02 0.00 0.02 0.00 0.00 54.13 52.83 1ubr s LEU 40 Cb 0.06 -0.16 0.05 0.00 0.02 0.00 0.00 46.19 46.16 1ubr s LEU 40 CO 0.84 -0.50 0.02 -0.55 0.02 0.00 0.00 176.35 176.18 1ubr s SER 41 N -3.19 4.94 -0.71 2.29 0.15 0.62 -4.38 113.70 113.41 1ubr s SER 41 Ca 0.22 -1.29 -0.23 0.00 0.70 0.00 0.00 55.95 55.36 1ubr s SER 41 Cb 0.05 -1.73 0.07 0.00 -1.71 0.00 0.00 66.02 62.70 1ubr s SER 41 CO 0.04 -0.28 1.05 -0.22 1.20 0.00 0.00 173.24 175.03 1ubr s LEU 42 N 1.26 4.21 -0.00 3.45 2.96 -1.26 -0.41 118.68 128.88 1ubr s LEU 42 Ca -0.04 -1.01 0.22 0.00 -0.22 0.00 0.00 54.13 53.07 1ubr s LEU 42 Cb -0.20 -2.45 -0.19 0.00 0.50 0.00 0.00 46.19 43.86 1ubr s LEU 42 CO -0.01 -1.48 0.85 0.47 -1.32 0.00 0.00 176.35 174.86 1ubr n ASP 43 N 7.93 0.71 -3.67 3.68 10.43 0.01 -4.82 116.55 130.82 1ubr n ASP 43 Ca 0.01 -0.65 -0.09 0.00 2.57 0.00 0.00 54.79 56.63 1ubr n ASP 43 Cb 0.47 1.16 -0.09 0.00 1.84 0.00 0.00 41.12 44.50 1ubr n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1ubr s TYR 44 N -3.14 -0.79 -0.30 1.24 5.04 -1.22 -4.71 117.35 113.47 1ubr s TYR 44 Ca 0.04 1.66 -0.06 0.00 -2.44 0.00 0.00 57.07 56.27 1ubr s TYR 44 Cb 0.15 0.41 0.19 0.00 0.35 0.00 0.00 41.96 43.06 1ubr s TYR 44 CO 0.86 -0.41 0.86 -1.58 -1.34 0.00 0.00 175.55 173.94 1ubr s HIS 45 N 1.34 -1.02 0.54 4.97 2.46 -1.26 -1.23 115.29 121.09 1ubr s HIS 45 Ca -0.08 0.81 0.33 0.00 0.47 0.00 0.00 55.06 56.59 1ubr s HIS 45 Cb -0.06 0.26 1.87 0.00 -0.13 0.00 0.00 32.58 34.51 1ubr s HIS 45 CO -0.14 -0.58 2.23 0.93 -2.47 0.00 0.00 174.74 174.71 1ubr h GLU 46 N 7.78 0.00 -0.02 2.88 5.08 -1.95 -0.34 114.58 128.01 1ubr h GLU 46 Ca -0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 1ubr h GLU 46 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ubr h GLU 46 CO 0.02 0.03 -0.76 1.15 -1.00 0.00 0.00 179.01 178.46 1ubr h THR 47 N 0.00 1.47 0.00 1.13 2.02 -1.97 -3.37 112.91 112.19 1ubr h THR 47 Ca -0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1ubr h THR 47 Cb 0.12 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1ubr h THR 47 CO 0.00 0.70 0.00 2.30 0.37 0.00 0.00 175.52 178.89 1ubr n ILE 48 N -3.72 0.00 -2.34 3.11 -5.35 -0.94 -5.06 119.36 105.06 1ubr n ILE 48 Ca -0.02 -0.37 -0.35 0.00 -0.27 0.00 0.00 62.75 61.74 1ubr n ILE 48 Cb 0.72 1.10 -0.01 0.00 -1.74 0.00 0.00 39.64 39.72 1ubr n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubr s MET 49 N -0.44 3.49 0.06 6.28 0.23 -0.18 -4.96 119.30 123.77 1ubr s MET 49 Ca 0.00 1.55 -0.18 0.00 -1.03 0.00 0.00 55.69 56.02 1ubr s MET 49 Cb 0.00 -2.04 -0.13 0.00 -1.53 0.00 0.00 34.83 31.13 1ubr s MET 49 CO 0.00 -0.72 1.36 0.00 -2.03 0.00 0.00 175.02 173.62 1ubr h ALA 50 N 1.32 0.28 -2.48 3.16 0.00 -1.96 -3.45 119.26 116.13 1ubr h ALA 50 Ca -0.50 -0.36 -0.49 0.00 0.00 0.00 0.00 54.91 53.56 1ubr h ALA 50 Cb 1.25 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 19.03 1ubr h ALA 50 CO 0.58 0.23 0.41 0.00 0.00 0.00 0.00 179.25 180.47 1ubr s ALA 51 N -4.27 2.78 0.30 0.00 0.00 -1.26 -5.06 121.76 114.26 1ubr s ALA 51 Ca -0.13 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1ubr s ALA 51 Cb 0.06 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1ubr s ALA 51 CO 0.78 -0.56 0.10 0.00 0.00 0.00 0.00 175.76 176.09 1ubr s ALA 52 N -1.86 2.06 0.00 0.00 0.00 -1.26 -4.49 121.76 116.21 1ubr s ALA 52 Ca 0.70 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1ubr s ALA 52 Cb -0.21 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1ubr s ALA 52 CO 0.24 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1ubr n GLY 53 N -0.59 2.61 0.37 0.00 0.00 -1.26 -1.99 105.19 104.33 1ubr n GLY 53 Ca -0.01 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.74 1ubr n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ubr h ASP 54 N 8.29 0.74 -0.70 1.61 3.32 -1.99 0.36 116.42 128.06 1ubr h ASP 54 Ca 0.00 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1ubr h ASP 54 Cb 0.00 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1ubr h ASP 54 CO 0.00 0.40 0.17 0.00 -1.72 0.00 0.00 179.24 178.09 1ubr h ALA 55 N 1.58 0.97 -0.30 3.45 0.00 -1.80 0.49 119.26 123.64 1ubr h ALA 55 Ca 0.45 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ubr h ALA 55 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ubr h ALA 55 CO -0.21 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.68 1ubr h ALA 56 N 1.11 0.41 -0.91 0.00 0.00 -0.70 -1.45 119.26 117.71 1ubr h ALA 56 Ca 0.22 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ubr h ALA 56 Cb 0.37 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1ubr h ALA 56 CO 0.00 0.19 0.57 0.93 0.00 0.00 0.00 179.25 180.94 1ubr h GLU 57 N 0.34 1.00 -0.54 0.00 5.08 -0.71 -0.53 114.58 119.22 1ubr h GLU 57 Ca 0.08 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1ubr h GLU 57 Cb 0.48 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1ubr h GLU 57 CO 0.02 0.66 -0.07 0.00 -1.00 0.00 0.00 179.01 178.63 1ubr h ALA 58 N 1.43 0.74 -1.00 3.43 0.00 -0.77 -1.72 119.26 121.37 1ubr h ALA 58 Ca 0.40 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ubr h ALA 58 Cb 0.18 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1ubr h ALA 58 CO -0.18 0.62 0.65 0.00 0.00 0.00 0.00 179.25 180.34 1ubr h ALA 59 N 0.93 1.34 -0.20 0.00 0.00 -0.66 -0.79 119.26 119.89 1ubr h ALA 59 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ubr h ALA 59 Cb 0.63 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ubr h ALA 59 CO 0.04 0.52 0.03 1.25 0.00 0.00 0.00 179.25 181.09 1ubr h LEU 60 N 1.24 0.32 -0.81 0.00 5.85 -0.64 -1.80 115.31 119.48 1ubr h LEU 60 Ca 0.41 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1ubr h LEU 60 Cb 0.05 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1ubr h LEU 60 CO -0.14 0.50 0.52 -0.08 -0.34 0.00 0.00 178.44 178.91 1ubr h GLU 61 N 0.13 1.07 -0.11 1.25 4.22 -1.05 0.11 114.58 120.20 1ubr h GLU 61 Ca 0.06 -0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.34 1ubr h GLU 61 Cb 0.32 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ubr h GLU 61 CO 0.00 0.72 -0.35 0.37 -2.18 0.00 0.00 179.01 177.57 1ubr h GLN 62 N 1.10 0.23 -0.18 1.92 4.15 -0.98 -0.66 115.11 120.68 1ubr h GLN 62 Ca 0.29 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.48 1ubr h GLN 62 Cb -0.11 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1ubr h GLN 62 CO -0.06 0.56 -0.43 0.00 -1.93 0.00 0.00 178.83 176.97 1ubr h ALA 63 N 1.44 0.30 -0.10 3.38 0.00 -0.46 -3.07 119.26 120.74 1ubr h ALA 63 Ca 0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1ubr h ALA 63 Cb 0.72 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ubr h ALA 63 CO 0.05 0.42 -0.51 -0.39 0.00 0.00 0.00 179.25 178.82 1ubr h VAL 64 N 0.28 1.35 -0.33 0.00 -1.51 -0.78 -2.75 116.25 112.51 1ubr h VAL 64 Ca -0.00 -1.77 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 1ubr h VAL 64 Cb 1.04 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1ubr h VAL 64 CO 0.09 0.53 0.00 0.59 -1.23 0.00 0.00 177.57 177.55 1ubr n ASN 65 N -3.94 1.80 -4.75 4.19 3.02 -0.27 -4.87 115.26 110.44 1ubr n ASN 65 Ca -0.02 -2.01 -0.41 0.00 -0.03 0.00 0.00 54.58 52.11 1ubr n ASN 65 Cb 0.56 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1ubr n ASN 65 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ubr s SER 66 N -0.99 6.80 0.31 6.41 0.15 -1.04 -4.84 113.70 120.50 1ubr s SER 66 Ca 0.22 2.57 0.23 0.00 0.70 0.00 0.00 55.95 59.67 1ubr s SER 66 Cb 0.12 -2.63 1.12 0.00 -1.71 0.00 0.00 66.02 62.92 1ubr s SER 66 CO 0.15 -0.57 1.71 1.55 1.20 0.00 0.00 173.24 177.28 1ubr h PRO 67 N 4.61 0.00 0.00 5.44 0.13 -1.92 -2.14 132.00 138.12 1ubr h PRO 67 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ubr h PRO 67 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ubr h PRO 67 CO 0.73 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.95 1ubr h HIS 68 N 0.00 0.00 0.00 1.56 3.86 -1.89 -3.50 115.15 115.18 1ubr h HIS 68 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ubr h HIS 68 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1ubr h HIS 68 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1ubr n GLY 69 N 1.07 0.74 3.14 2.45 0.00 -0.81 -4.97 105.19 106.81 1ubr n GLY 69 Ca 0.05 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 1ubr n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ubr s PHE 70 N -2.82 0.28 -0.16 1.61 -0.71 -1.26 -4.41 117.98 110.51 1ubr s PHE 70 Ca 0.00 -0.70 -0.08 0.00 -1.04 0.00 0.00 56.93 55.11 1ubr s PHE 70 Cb 0.00 -0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 1ubr s PHE 70 CO 0.00 -0.43 0.11 0.42 -1.34 0.00 0.00 175.22 173.98 1ubr s ILE 71 N -3.40 5.23 -0.17 -4.49 1.01 0.27 -0.70 121.20 118.95 1ubr s ILE 71 Ca 0.02 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 1ubr s ILE 71 Cb 0.04 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1ubr s ILE 71 CO -0.08 0.52 0.11 0.00 0.00 0.00 0.00 174.94 175.49 1ubr s ALA 72 N -0.22 3.67 -0.15 9.38 0.00 -0.53 -0.85 121.76 133.05 1ubr s ALA 72 Ca 0.10 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1ubr s ALA 72 Cb -0.12 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 1ubr s ALA 72 CO 0.01 0.32 -0.11 0.08 0.00 0.00 0.00 175.76 176.06 1ubr s VAL 73 N -0.11 3.08 -0.14 0.00 1.01 -0.26 -0.51 120.40 123.47 1ubr s VAL 73 Ca 0.09 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1ubr s VAL 73 Cb -0.12 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.96 1ubr s VAL 73 CO 0.00 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 1ubr s VAL 74 N 0.67 1.95 -0.12 2.92 1.01 -0.27 -0.94 120.40 125.62 1ubr s VAL 74 Ca -0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1ubr s VAL 74 Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1ubr s VAL 74 CO 0.02 0.53 -0.06 -0.70 0.00 0.00 0.00 175.10 174.89 1ubr s GLU 75 N 0.96 3.35 0.00 2.72 2.12 -0.08 -0.29 118.70 127.47 1ubr s GLU 75 Ca -0.04 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1ubr s GLU 75 Cb -0.15 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1ubr s GLU 75 CO -0.04 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 1ubr n GLY 76 N 3.10 1.91 3.87 -1.50 0.00 -1.26 -0.52 105.19 110.78 1ubr n GLY 76 Ca -0.18 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 1ubr n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubr s GLY 77 N -0.21 1.65 -0.35 -0.02 0.00 -0.42 -3.53 107.32 104.44 1ubr s GLY 77 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 44.72 44.46 1ubr s GLY 77 CO 0.00 0.14 0.25 -0.42 0.00 0.00 0.00 173.10 173.07 1ubr s ILE 78 N -3.15 5.24 -0.02 0.90 1.01 0.06 -1.05 121.20 124.19 1ubr s ILE 78 Ca 0.55 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 1ubr s ILE 78 Cb -0.11 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1ubr s ILE 78 CO 0.53 -0.06 1.22 -2.16 0.00 0.00 0.00 174.94 174.47 1ubr s PRO 79 N 1.71 4.37 -0.00 2.79 0.05 -1.26 -0.96 135.00 141.69 1ubr s PRO 79 Ca 0.06 1.73 0.07 0.00 0.05 0.00 0.00 61.00 62.90 1ubr s PRO 79 Cb -0.18 -3.50 -0.08 0.00 0.05 0.00 0.00 34.50 30.79 1ubr s PRO 79 CO 0.10 -0.40 0.25 0.25 0.05 0.00 0.00 177.00 177.25 1ubr n THR 80 N 4.42 0.00 -1.16 1.26 -2.24 0.11 -4.25 114.28 112.42 1ubr n THR 80 Ca 0.11 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 1ubr n THR 80 Cb 0.46 0.84 0.12 0.00 -2.10 0.00 0.00 70.33 69.64 1ubr n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubr s ALA 81 N -1.84 1.94 -1.62 6.98 0.00 -0.42 -3.06 121.76 123.74 1ubr s ALA 81 Ca 0.01 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1ubr s ALA 81 Cb 0.05 -3.41 0.11 0.00 0.00 0.00 0.00 23.12 19.87 1ubr s ALA 81 CO 0.28 -2.12 0.70 0.00 0.00 0.00 0.00 175.76 174.62 1ubr n ALA 82 N -3.40 -1.45 -2.57 0.00 0.00 -1.26 -1.54 120.51 110.28 1ubr n ALA 82 Ca 0.12 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 1ubr n ALA 82 Cb 0.52 -3.06 0.01 0.00 0.00 0.00 0.00 19.45 16.91 1ubr n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ubr n ASN 83 N -2.75 -5.72 0.00 0.00 5.15 -1.19 -2.85 115.26 107.90 1ubr n ASN 83 Ca -0.03 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1ubr n ASN 83 Cb 0.54 -4.68 0.00 0.00 -0.53 0.00 0.00 39.78 35.11 1ubr n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ubr n GLY 84 N -1.17 0.71 0.33 8.20 0.00 -0.59 -4.96 105.19 107.71 1ubr n GLY 84 Ca -0.19 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.02 1ubr n GLY 84 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ubr h ILE 85 N 0.00 0.20 0.00 -0.61 5.03 -1.59 -2.97 117.51 117.58 1ubr h ILE 85 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1ubr h ILE 85 Cb 0.00 0.95 0.00 0.00 -3.03 0.00 0.00 36.82 34.74 1ubr h ILE 85 CO 0.00 0.00 0.00 -1.22 -0.68 0.00 0.00 178.15 176.25 1ubr n TYR 86 N -3.36 0.08 -3.66 1.37 4.01 -1.26 -4.55 117.16 109.79 1ubr n TYR 86 Ca -0.02 0.02 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 1ubr n TYR 86 Cb 0.13 -0.54 -0.16 0.00 -0.31 0.00 0.00 39.34 38.46 1ubr n TYR 86 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ubr s GLY 87 N -3.05 0.10 0.03 2.72 0.00 -1.12 -5.05 107.32 100.95 1ubr s GLY 87 Ca 0.12 0.42 0.03 0.00 0.00 0.00 0.00 44.72 45.30 1ubr s GLY 87 CO 0.48 1.63 -0.10 0.54 0.00 0.00 0.00 173.10 175.66 1ubr s LYS 88 N 2.26 0.69 -0.06 2.90 1.02 -1.26 -0.87 119.74 124.42 1ubr s LYS 88 Ca 0.04 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1ubr s LYS 88 Cb -0.12 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 1ubr s LYS 88 CO -0.06 0.15 -0.16 0.08 -0.92 0.00 0.00 175.35 174.44 1ubr s VAL 89 N -0.82 1.40 -1.47 3.17 1.01 0.08 -4.74 120.40 119.03 1ubr s VAL 89 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1ubr s VAL 89 Cb -0.07 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1ubr s VAL 89 CO 0.01 0.41 0.27 0.00 0.00 0.00 0.00 175.10 175.79 1ubr n ALA 90 N 3.51 -0.84 -1.90 5.51 0.00 -1.26 -1.15 120.51 124.38 1ubr n ALA 90 Ca -0.20 0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1ubr n ALA 90 Cb 0.52 -2.68 -0.05 0.00 0.00 0.00 0.00 19.45 17.24 1ubr n ALA 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ubr n ASN 91 N -2.17 -5.39 -4.59 0.00 4.05 -1.26 -5.01 115.26 100.89 1ubr n ASN 91 Ca -0.15 0.26 -0.32 0.00 0.45 0.00 0.00 54.58 54.82 1ubr n ASN 91 Cb 0.63 -4.51 -0.11 0.00 1.23 0.00 0.00 39.78 37.02 1ubr n ASN 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1ubr s HIS 92 N -2.81 2.90 0.61 1.20 3.76 -0.30 -5.07 115.29 115.57 1ubr s HIS 92 Ca 0.00 -0.03 -0.17 0.00 -0.15 0.00 0.00 55.06 54.71 1ubr s HIS 92 Cb 0.00 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 32.04 1ubr s HIS 92 CO 0.00 0.37 1.13 0.95 -0.85 0.00 0.00 174.74 176.33 1ubr s THR 93 N -0.96 3.14 0.41 1.30 -4.23 -1.26 -0.74 115.64 113.30 1ubr s THR 93 Ca 0.16 0.61 0.10 0.00 -1.18 0.00 0.00 61.69 61.39 1ubr s THR 93 Cb -0.11 -3.16 0.19 0.00 1.34 0.00 0.00 72.50 70.76 1ubr s THR 93 CO 0.06 -0.25 1.97 0.24 -0.54 0.00 0.00 174.62 176.10 1ubr h MET 94 N 0.53 0.24 -0.45 3.99 2.86 -1.21 -0.93 114.93 119.95 1ubr h MET 94 Ca -0.48 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.10 1ubr h MET 94 Cb 1.26 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1ubr h MET 94 CO 0.55 0.31 0.21 1.25 1.06 0.00 0.00 176.91 180.29 1ubr h LEU 95 N 0.24 0.60 -0.44 1.22 6.46 -1.83 -0.17 115.31 121.39 1ubr h LEU 95 Ca 0.05 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.62 1ubr h LEU 95 Cb 0.25 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1ubr h LEU 95 CO 0.01 0.57 0.06 -0.78 -0.62 0.00 0.00 178.44 177.68 1ubr h ASP 96 N 0.59 0.71 0.05 1.25 3.58 -1.76 0.11 116.42 120.96 1ubr h ASP 96 Ca 0.15 -0.27 0.01 0.00 0.42 0.00 0.00 57.03 57.34 1ubr h ASP 96 Cb 0.13 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1ubr h ASP 96 CO -0.02 0.80 -0.08 0.40 -2.88 0.00 0.00 179.24 177.46 1ubr h ILE 97 N 0.60 0.80 -0.18 2.25 2.04 -1.00 -0.66 117.51 121.35 1ubr h ILE 97 Ca 0.13 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.87 1ubr h ILE 97 Cb 0.40 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1ubr h ILE 97 CO 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 178.15 177.74 1ubr h SER 99 N 0.36 0.65 0.56 0.00 0.02 -0.36 -1.07 113.55 113.71 1ubr h SER 99 Ca 0.03 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.67 1ubr h SER 99 Cb 0.89 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1ubr h SER 99 CO 0.07 0.48 -1.48 0.03 -1.14 0.00 0.00 176.83 174.80 1ubr h ARG 100 N 0.77 0.15 0.09 3.45 3.08 -0.69 -3.40 114.38 117.83 1ubr h ARG 100 Ca 0.21 -0.26 -0.31 0.00 0.07 0.00 0.00 59.98 59.69 1ubr h ARG 100 Cb -0.08 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1ubr h ARG 100 CO -0.04 0.97 -1.65 0.82 -1.07 0.00 0.00 179.97 178.99 1ubr h ILE 101 N 0.04 0.81 -0.43 2.04 2.04 -0.91 -3.40 117.51 117.69 1ubr h ILE 101 Ca -0.21 -2.32 -0.09 0.00 1.00 0.00 0.00 64.86 63.24 1ubr h ILE 101 Cb 1.97 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 40.52 1ubr h ILE 101 CO 0.14 0.69 -0.11 -0.07 0.00 0.00 0.00 178.15 178.80 1ubr h LEU 102 N -0.31 0.76 -0.13 1.44 3.38 -1.41 0.09 115.31 119.13 1ubr h LEU 102 Ca -0.37 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1ubr h LEU 102 Cb 1.78 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1ubr h LEU 102 CO 0.00 0.89 0.00 -2.65 0.09 0.00 0.00 178.44 176.78 1ubr n PRO 103 N -4.17 0.02 0.00 1.13 -0.02 -1.26 -1.78 135.00 128.92 1ubr n PRO 103 Ca 0.01 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1ubr n PRO 103 Cb 0.36 -1.55 0.18 0.00 -0.02 0.00 0.00 33.50 32.47 1ubr n PRO 103 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ubr n LYS 104 N -1.58 0.01 -2.38 -0.52 5.02 0.01 -4.94 118.16 113.78 1ubr n LYS 104 Ca 0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 1ubr n LYS 104 Cb 0.05 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 1ubr n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ubr s ALA 105 N -3.01 2.79 0.19 7.82 0.00 -0.73 -4.76 121.76 124.06 1ubr s ALA 105 Ca 0.10 0.75 0.18 0.00 0.00 0.00 0.00 51.96 52.98 1ubr s ALA 105 Cb 0.17 -3.32 0.65 0.00 0.00 0.00 0.00 23.12 20.62 1ubr s ALA 105 CO 0.73 -0.57 1.73 1.96 0.00 0.00 0.00 175.76 179.61 1ubr h GLN 106 N 1.43 0.00 -2.09 0.00 1.08 -1.25 -3.45 115.11 110.83 1ubr h GLN 106 Ca -0.50 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.64 1ubr h GLN 106 Cb 1.24 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.48 1ubr h GLN 106 CO 0.58 0.40 0.14 0.00 -0.95 0.00 0.00 178.83 179.00 1ubr s ALA 107 N -3.63 -1.68 -0.07 3.87 0.00 -1.26 -5.06 121.76 113.93 1ubr s ALA 107 Ca -0.00 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.31 1ubr s ALA 107 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1ubr s ALA 107 CO 0.70 -0.36 -0.18 0.08 0.00 0.00 0.00 175.76 175.99 1ubr s VAL 108 N -1.01 1.60 -0.20 0.00 1.01 -1.26 -1.46 120.40 119.08 1ubr s VAL 108 Ca -0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1ubr s VAL 108 Cb -0.01 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1ubr s VAL 108 CO 0.08 0.46 -0.11 -0.63 0.00 0.00 0.00 175.10 174.90 1ubr s ILE 109 N 0.33 2.80 -0.31 2.22 1.01 0.34 -0.54 121.20 127.04 1ubr s ILE 109 Ca -0.12 -0.69 -0.25 0.00 0.00 0.00 0.00 60.65 59.59 1ubr s ILE 109 Cb -0.15 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1ubr s ILE 109 CO 0.05 0.48 0.86 0.00 0.00 0.00 0.00 174.94 176.33 1ubr s ALA 110 N 1.37 3.52 -0.25 9.38 0.00 0.24 -1.12 121.76 134.89 1ubr s ALA 110 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 1ubr s ALA 110 Cb -0.14 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1ubr s ALA 110 CO -0.07 -1.29 -0.03 -0.47 0.00 0.00 0.00 175.76 173.89 1ubr s TYR 111 N 3.14 3.05 0.00 0.00 5.04 0.60 -1.15 117.35 128.03 1ubr s TYR 111 Ca 0.36 -1.33 0.00 0.00 -2.44 0.00 0.00 57.07 53.66 1ubr s TYR 111 Cb -0.14 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.07 1ubr s TYR 111 CO 0.13 -0.67 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 1ubr n GLY 112 N 4.73 2.24 0.37 8.97 0.00 0.09 -4.35 105.19 117.24 1ubr n GLY 112 Ca -0.17 -1.73 0.18 0.00 0.00 0.00 0.00 46.02 44.30 1ubr n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ubr h THR 113 N 0.00 0.77 0.06 2.61 2.02 -1.33 0.13 112.91 117.18 1ubr h THR 113 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1ubr h THR 113 Cb 0.00 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1ubr h THR 113 CO 0.00 0.02 -0.03 0.00 0.37 0.00 0.00 175.52 175.88 1ubr h ALA 115 N 0.66 1.07 -0.04 0.00 0.00 -1.28 0.49 119.26 120.16 1ubr h ALA 115 Ca -0.01 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1ubr h ALA 115 Cb 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ubr h ALA 115 CO 0.01 0.57 -0.44 1.79 0.00 0.00 0.00 179.25 181.18 1ubr h THR 116 N 0.45 1.44 0.00 0.00 1.35 -0.70 0.18 112.91 115.63 1ubr h THR 116 Ca 0.07 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 1ubr h THR 116 Cb 0.68 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1ubr h THR 116 CO 0.05 0.55 0.00 0.49 -0.25 0.00 0.00 175.52 176.36 1ubr n PHE 117 N -4.33 0.00 0.00 4.73 3.72 0.65 -4.30 117.46 117.92 1ubr n PHE 117 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1ubr n PHE 117 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1ubr n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubr n GLY 118 N 0.06 3.09 7.00 1.37 0.00 0.16 -4.14 105.19 112.73 1ubr n GLY 118 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1ubr n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubr n GLY 119 N 0.00 -0.11 0.32 -0.02 0.00 -1.19 -3.57 105.19 100.62 1ubr n GLY 119 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 1ubr n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ubr h VAL 120 N 0.00 1.26 0.00 1.61 3.04 -1.94 0.11 116.25 120.33 1ubr h VAL 120 Ca 0.00 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 1ubr h VAL 120 Cb 0.00 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1ubr h VAL 120 CO 0.00 0.37 0.00 0.00 -1.01 0.00 0.00 177.57 176.93 1ubr n GLN 121 N -4.23 0.05 0.00 4.17 0.00 -1.26 -2.12 117.38 113.99 1ubr n GLN 121 Ca 0.05 0.16 0.13 0.00 0.00 0.00 0.00 57.00 57.34 1ubr n GLN 121 Cb 0.27 -1.58 0.48 0.00 0.00 0.00 0.00 30.24 29.41 1ubr n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ubr n ALA 122 N -1.57 2.95 -1.50 2.61 0.00 0.37 -4.45 120.51 118.92 1ubr n ALA 122 Ca 0.05 -0.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1ubr n ALA 122 Cb 0.28 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.57 1ubr n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubr s ALA 123 N -2.59 2.22 0.28 0.00 0.00 -0.90 -4.33 121.76 116.44 1ubr s ALA 123 Ca 0.24 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 1ubr s ALA 123 Cb 0.19 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 1ubr s ALA 123 CO 0.53 -1.74 1.15 1.63 0.00 0.00 0.00 175.76 177.33 1ubr n LYS 124 N -2.38 1.63 -0.68 0.00 5.02 -1.26 0.25 118.16 120.74 1ubr n LYS 124 Ca 0.14 0.57 -0.02 0.00 -2.02 0.00 0.00 58.31 56.99 1ubr n LYS 124 Cb 0.49 -2.05 0.23 0.00 -0.02 0.00 0.00 35.03 33.68 1ubr n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ubr n PRO 125 N 0.96 3.12 -3.69 1.97 -0.04 -1.26 -4.98 135.00 131.08 1ubr n PRO 125 Ca 0.09 -2.12 -0.30 0.00 -0.04 0.00 0.00 63.50 61.13 1ubr n PRO 125 Cb 0.32 -1.96 0.03 0.00 -0.04 0.00 0.00 33.50 31.86 1ubr n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ubr n ASN 126 N 0.11 -5.37 0.27 3.54 4.05 0.14 -4.84 115.26 113.15 1ubr n ASN 126 Ca 0.26 -0.97 0.12 0.00 0.45 0.00 0.00 54.58 54.44 1ubr n ASN 126 Cb 1.02 -3.16 0.75 0.00 1.23 0.00 0.00 39.78 39.62 1ubr n ASN 126 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ubr h PRO 127 N -1.61 0.00 -0.54 1.20 0.13 -1.83 -2.29 132.00 127.06 1ubr h PRO 127 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1ubr h PRO 127 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ubr h PRO 127 CO 0.46 0.08 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 1ubr n THR 128 N -3.93 0.72 -3.61 1.56 -2.24 -1.26 -4.89 114.28 100.62 1ubr n THR 128 Ca -0.02 -0.81 -0.23 0.00 -2.27 0.00 0.00 64.05 60.71 1ubr n THR 128 Cb 0.17 0.63 0.07 0.00 -2.10 0.00 0.00 70.33 69.10 1ubr n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubr n GLY 129 N 1.52 -0.49 3.75 3.38 0.00 -0.86 -1.30 105.19 111.19 1ubr n GLY 129 Ca 0.21 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 1ubr n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubr s ALA 130 N -3.34 3.47 0.08 4.61 0.00 -1.26 -0.71 121.76 124.61 1ubr s ALA 130 Ca 0.45 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1ubr s ALA 130 Cb -0.21 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1ubr s ALA 130 CO 0.75 -0.44 -0.11 0.15 0.00 0.00 0.00 175.76 176.11 1ubr s LYS 131 N -0.75 0.80 0.96 0.00 1.02 -0.13 -4.68 119.74 116.96 1ubr s LYS 131 Ca 0.52 -1.04 -0.12 0.00 0.02 0.00 0.00 55.97 55.35 1ubr s LYS 131 Cb -0.35 -0.61 0.17 0.00 -0.52 0.00 0.00 37.83 36.52 1ubr s LYS 131 CO 0.41 0.11 1.09 0.20 -0.92 0.00 0.00 175.35 176.24 1ubr s GLY 132 N -2.09 1.61 0.09 -3.33 0.00 -1.26 -0.76 107.32 101.58 1ubr s GLY 132 Ca 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 1ubr s GLY 132 CO 0.01 0.54 1.63 -2.08 0.00 0.00 0.00 173.10 173.21 1ubr h VAL 133 N -1.86 1.16 -0.04 1.40 2.07 -1.14 -0.55 116.25 117.29 1ubr h VAL 133 Ca -0.51 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.39 1ubr h VAL 133 Cb 1.29 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1ubr h VAL 133 CO 0.52 0.16 -0.53 0.78 0.02 0.00 0.00 177.57 178.52 1ubr h ASN 134 N 0.17 0.13 -0.04 0.57 2.35 -1.82 -0.52 115.58 116.44 1ubr h ASN 134 Ca 0.07 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1ubr h ASN 134 Cb 0.18 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1ubr h ASN 134 CO -0.01 0.64 -0.03 -0.78 -1.65 0.00 0.00 177.43 175.61 1ubr h ASP 135 N 0.10 0.09 -0.91 5.81 3.58 -1.84 -1.25 116.42 122.00 1ubr h ASP 135 Ca -0.00 -0.45 0.09 0.00 0.42 0.00 0.00 57.03 57.09 1ubr h ASP 135 Cb 0.97 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.93 1ubr h ASP 135 CO 0.08 0.51 0.59 0.00 -2.88 0.00 0.00 179.24 177.54 1ubr h ALA 136 N 0.57 1.58 -0.11 -0.78 0.00 -0.93 -3.24 119.26 116.36 1ubr h ALA 136 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ubr h ALA 136 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ubr h ALA 136 CO 0.01 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1ubr n LEU 137 N -4.53 2.77 -0.32 0.00 4.77 -0.22 -4.67 117.00 114.80 1ubr n LEU 137 Ca 0.15 -2.78 0.04 0.00 -0.03 0.00 0.00 56.01 53.39 1ubr n LEU 137 Cb 0.28 -0.37 0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1ubr n LEU 137 CO 0.31 0.67 0.68 0.11 -1.33 0.00 0.00 177.39 177.82 1ubr h LYS 138 N 0.70 -0.00 0.00 3.23 1.57 -1.26 0.12 116.57 120.93 1ubr h LYS 138 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ubr h LYS 138 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1ubr h LYS 138 CO 0.06 -0.00 0.00 1.12 -0.57 0.00 0.00 179.45 180.06 1ubr h HIS 139 N -0.00 0.00 -0.55 -1.35 2.07 -1.87 -0.82 115.15 112.62 1ubr h HIS 139 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 1ubr h HIS 139 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 1ubr h HIS 139 CO -0.71 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 175.43 1ubr n LEU 140 N -2.87 3.44 0.00 6.12 4.77 0.40 -4.93 117.00 123.93 1ubr n LEU 140 Ca 0.00 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1ubr n LEU 140 Cb 0.25 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1ubr n LEU 140 CO 0.24 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1ubr n GLY 141 N 1.53 0.55 3.71 -0.72 0.00 -0.31 -4.91 105.19 105.03 1ubr n GLY 141 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1ubr n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubr s VAL 142 N -2.22 3.86 -0.45 1.61 1.01 -1.19 -4.97 120.40 118.06 1ubr s VAL 142 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.33 1ubr s VAL 142 Cb 0.00 -3.85 0.14 0.00 0.00 0.00 0.00 36.38 32.67 1ubr s VAL 142 CO 0.00 0.09 0.26 -0.54 0.00 0.00 0.00 175.10 174.91 1ubr s LYS 143 N 1.20 1.32 0.30 2.72 -0.14 -1.26 -4.60 119.74 119.28 1ubr s LYS 143 Ca 0.60 -2.07 -0.28 0.00 -1.36 0.00 0.00 55.97 52.86 1ubr s LYS 143 Cb -0.31 -2.33 -0.09 0.00 -1.68 0.00 0.00 37.83 33.41 1ubr s LYS 143 CO 0.29 -1.18 1.04 0.00 -0.76 0.00 0.00 175.35 174.74 1ubr s ALA 144 N 0.26 3.32 0.09 5.17 0.00 -1.26 -4.68 121.76 124.65 1ubr s ALA 144 Ca 0.19 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.60 1ubr s ALA 144 Cb -0.22 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1ubr s ALA 144 CO -0.02 -0.05 1.47 0.42 0.00 0.00 0.00 175.76 177.58 1ubr s ILE 145 N -1.30 3.23 -0.33 0.00 1.01 0.30 -4.75 121.20 119.36 1ubr s ILE 145 Ca 0.47 0.80 -0.14 0.00 0.00 0.00 0.00 60.65 61.78 1ubr s ILE 145 Cb -0.28 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1ubr s ILE 145 CO 0.35 0.04 0.31 0.20 0.00 0.00 0.00 174.94 175.84 1ubr s ASN 146 N 1.51 6.14 -0.44 3.58 0.01 -0.16 -0.60 114.94 124.98 1ubr s ASN 146 Ca 0.67 -0.19 -0.06 0.00 -0.71 0.00 0.00 52.86 52.57 1ubr s ASN 146 Cb -0.37 -2.17 0.12 0.00 0.41 0.00 0.00 41.25 39.23 1ubr s ASN 146 CO 0.30 -0.26 0.28 -0.63 -1.51 0.00 0.00 177.10 175.28 1ubr s ILE 147 N 1.92 3.75 0.48 0.60 1.01 -0.30 -3.96 121.20 124.70 1ubr s ILE 147 Ca 0.10 -1.93 -0.03 0.00 0.00 0.00 0.00 60.65 58.79 1ubr s ILE 147 Cb -0.17 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1ubr s ILE 147 CO 0.11 -0.74 0.74 0.00 0.00 0.00 0.00 174.94 175.06 1ubr s ALA 148 N 1.24 3.54 0.00 9.38 0.00 -1.26 -0.74 121.76 133.92 1ubr s ALA 148 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1ubr s ALA 148 Cb -0.24 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1ubr s ALA 148 CO -0.03 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1ubr n GLY 149 N -2.21 3.81 2.31 0.00 0.00 -1.24 -4.33 105.19 103.53 1ubr n GLY 149 Ca 0.01 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 1ubr n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubr s PRO 151 N -1.36 2.54 1.01 0.00 0.04 -1.26 -5.08 135.00 130.90 1ubr s PRO 151 Ca 0.35 -0.40 -0.12 0.00 0.04 0.00 0.00 61.00 60.87 1ubr s PRO 151 Cb 0.14 -2.33 0.19 0.00 0.04 0.00 0.00 34.50 32.54 1ubr s PRO 151 CO -0.10 -0.86 1.08 -2.14 0.04 0.00 0.00 177.00 175.02 1ubr s PRO 152 N -4.97 0.35 0.03 0.56 0.02 -1.13 -4.97 135.00 124.90 1ubr s PRO 152 Ca 0.57 0.77 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 1ubr s PRO 152 Cb -0.10 -1.71 -0.06 0.00 0.02 0.00 0.00 34.50 32.65 1ubr s PRO 152 CO 0.42 -2.85 1.39 1.21 -0.33 0.00 0.00 177.00 176.84 1ubr s ASN 153 N -3.13 6.86 0.60 2.53 3.84 -1.26 -4.90 114.94 119.48 1ubr s ASN 153 Ca 0.66 2.16 0.39 0.00 0.21 0.00 0.00 52.86 56.27 1ubr s ASN 153 Cb -0.20 -2.57 1.86 0.00 -0.55 0.00 0.00 41.25 39.79 1ubr s ASN 153 CO 0.59 -0.69 2.17 1.55 -2.79 0.00 0.00 177.10 177.93 1ubr h PRO 154 N 7.52 0.00 -0.83 0.43 0.13 -1.93 -0.17 132.00 137.15 1ubr h PRO 154 Ca -0.39 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.89 1ubr h PRO 154 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1ubr h PRO 154 CO 0.89 0.01 0.55 -0.92 -0.23 0.00 0.00 178.00 178.29 1ubr h TYR 155 N 0.00 0.66 -0.01 1.56 3.20 -1.93 -1.49 116.97 118.96 1ubr h TYR 155 Ca -0.00 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 1ubr h TYR 155 Cb 0.27 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1ubr h TYR 155 CO 0.00 0.24 -0.81 -0.91 -1.64 0.00 0.00 178.16 175.04 1ubr h ASN 156 N 0.56 0.17 -0.08 -2.11 2.35 -1.41 -0.76 115.58 114.30 1ubr h ASN 156 Ca 0.41 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1ubr h ASN 156 Cb 0.80 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 1ubr h ASN 156 CO -0.17 0.91 -0.10 0.25 -1.65 0.00 0.00 177.43 176.68 1ubr h LEU 157 N 0.08 0.23 -0.63 1.61 5.85 -1.45 -2.36 115.31 118.65 1ubr h LEU 157 Ca -0.03 -0.50 -0.06 0.00 0.84 0.00 0.00 57.88 58.13 1ubr h LEU 157 Cb 1.41 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1ubr h LEU 157 CO 0.12 0.68 0.15 0.58 -0.34 0.00 0.00 178.44 179.63 1ubr h VAL 158 N -0.22 1.26 -0.92 1.05 2.07 -1.30 -0.62 116.25 117.55 1ubr h VAL 158 Ca 0.01 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1ubr h VAL 158 Cb 0.62 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1ubr h VAL 158 CO 0.02 0.35 0.61 1.23 0.02 0.00 0.00 177.57 179.81 1ubr h GLY 159 N 0.92 1.31 0.84 2.17 0.00 -1.18 0.95 103.07 108.09 1ubr h GLY 159 Ca 0.20 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1ubr h GLY 159 CO 0.00 0.46 -0.20 -0.84 0.00 0.00 0.00 176.54 175.96 1ubr h THR 160 N 1.23 1.32 -0.48 4.70 2.02 -1.02 -1.59 112.91 119.10 1ubr h THR 160 Ca 0.35 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1ubr h THR 160 Cb -0.11 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1ubr h THR 160 CO -0.08 0.41 0.27 0.40 0.37 0.00 0.00 175.52 176.90 1ubr h ILE 161 N 0.19 1.16 -0.79 3.11 2.04 -0.71 -0.83 117.51 121.68 1ubr h ILE 161 Ca 0.03 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1ubr h ILE 161 Cb 0.74 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1ubr h ILE 161 CO 0.05 0.17 0.34 0.58 0.00 0.00 0.00 178.15 179.29 1ubr h VAL 162 N 0.64 1.26 -0.38 1.67 2.07 -0.79 0.13 116.25 120.85 1ubr h VAL 162 Ca 0.17 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1ubr h VAL 162 Cb 0.03 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1ubr h VAL 162 CO -0.03 0.32 0.23 0.22 0.02 0.00 0.00 177.57 178.34 1ubr h TYR 163 N 1.14 0.43 -0.47 1.57 5.03 -0.93 -0.82 116.97 122.93 1ubr h TYR 163 Ca 0.27 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.57 1ubr h TYR 163 Cb 0.18 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1ubr h TYR 163 CO 0.02 0.26 0.20 -0.92 -1.32 0.00 0.00 178.16 176.40 1ubr h TYR 164 N 0.47 0.69 -0.21 -3.82 3.20 -0.42 0.42 116.97 117.31 1ubr h TYR 164 Ca 0.15 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1ubr h TYR 164 Cb -0.01 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1ubr h TYR 164 CO -0.07 0.57 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.75 1ubr h LEU 165 N 0.61 0.37 0.07 2.82 3.38 -0.49 0.40 115.31 122.46 1ubr h LEU 165 Ca 0.16 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ubr h LEU 165 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ubr h LEU 165 CO -0.02 0.59 -0.03 0.50 0.09 0.00 0.00 178.44 179.57 1ubr h LYS 166 N 0.34 -0.09 -0.01 1.13 3.64 -0.65 -3.37 116.57 117.57 1ubr h LYS 166 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1ubr h LYS 166 Cb 0.57 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1ubr h LYS 166 CO 0.04 0.45 -0.57 0.09 -2.27 0.00 0.00 179.45 177.19 1ubr n ASN 167 N -4.85 1.37 -1.90 4.20 3.02 0.14 -4.94 115.26 112.31 1ubr n ASN 167 Ca -0.08 -1.10 -0.17 0.00 -0.03 0.00 0.00 54.58 53.20 1ubr n ASN 167 Cb 0.29 0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 39.97 1ubr n ASN 167 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ubr n LYS 168 N -0.71 -1.33 -3.52 3.52 4.01 0.14 -4.94 118.16 115.33 1ubr n LYS 168 Ca 0.08 0.81 -0.08 0.00 -0.51 0.00 0.00 58.31 58.61 1ubr n LYS 168 Cb 0.39 -5.24 -0.02 0.00 -0.51 0.00 0.00 35.03 29.66 1ubr n LYS 168 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ubr s ALA 169 N -2.83 -1.82 0.55 7.82 0.00 -1.24 -5.08 121.76 119.17 1ubr s ALA 169 Ca 0.00 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 1ubr s ALA 169 Cb 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1ubr s ALA 169 CO 0.00 -0.71 1.12 0.00 0.00 0.00 0.00 175.76 176.18 1ubr s ALA 170 N -3.11 2.68 1.02 0.00 0.00 -1.26 -4.17 121.76 116.92 1ubr s ALA 170 Ca 0.06 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 1ubr s ALA 170 Cb -0.01 -3.35 0.21 0.00 0.00 0.00 0.00 23.12 19.97 1ubr s ALA 170 CO -0.08 -0.81 1.18 -1.25 0.00 0.00 0.00 175.76 174.80 1ubr s PRO 171 N -3.39 0.20 0.13 0.00 0.04 -1.26 -4.94 135.00 125.78 1ubr s PRO 171 Ca 0.72 -0.02 -0.35 0.00 0.04 0.00 0.00 61.00 61.39 1ubr s PRO 171 Cb -0.23 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 1ubr s PRO 171 CO 0.28 -2.77 1.54 -1.91 0.04 0.00 0.00 177.00 174.18 1ubr n GLU 172 N -4.10 1.91 -4.36 4.56 2.13 -1.26 -4.91 120.64 114.61 1ubr n GLU 172 Ca 0.11 0.69 -0.30 0.00 0.66 0.00 0.00 57.16 58.32 1ubr n GLU 172 Cb 0.59 -2.43 -0.11 0.00 0.27 0.00 0.00 31.44 29.76 1ubr n GLU 172 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ubr s LEU 173 N 0.99 2.87 0.00 4.31 1.02 -1.26 -1.09 118.68 125.52 1ubr s LEU 173 Ca 0.81 -0.42 -0.07 0.00 0.02 0.00 0.00 54.13 54.47 1ubr s LEU 173 Cb -0.75 -1.69 0.11 0.00 0.02 0.00 0.00 46.19 43.88 1ubr s LEU 173 CO 0.41 0.20 0.63 -0.90 0.02 0.00 0.00 176.35 176.71 1ubr n ASP 174 N 0.98 0.12 0.00 2.29 5.68 0.91 -4.83 116.55 121.71 1ubr n ASP 174 Ca -0.15 -1.27 0.10 0.00 -0.50 0.00 0.00 54.79 52.97 1ubr n ASP 174 Cb 0.52 -0.48 0.51 0.00 -1.14 0.00 0.00 41.12 40.54 1ubr n ASP 174 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ubr n SER 175 N -3.37 0.00 -1.49 -1.12 3.41 -1.26 -0.60 113.62 109.19 1ubr n SER 175 Ca 0.08 0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.82 1ubr n SER 175 Cb 0.28 -0.31 0.34 0.00 -0.26 0.00 0.00 64.21 64.27 1ubr n SER 175 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ubr n LEU 176 N -1.31 4.68 -1.31 1.04 4.32 -1.26 -4.95 117.00 118.21 1ubr n LEU 176 Ca 0.09 -2.54 -0.14 0.00 -0.02 0.00 0.00 56.01 53.41 1ubr n LEU 176 Cb 0.17 -0.56 -0.03 0.00 -1.62 0.00 0.00 43.42 41.38 1ubr n LEU 176 CO 0.16 0.77 -0.15 -3.20 -1.22 0.00 0.00 177.39 173.75 1ubr n ASN 177 N 0.84 -4.40 -4.86 -1.43 5.15 0.23 -4.68 115.26 106.11 1ubr n ASN 177 Ca 0.25 0.15 -0.37 0.00 -0.60 0.00 0.00 54.58 54.00 1ubr n ASN 177 Cb 0.90 -3.35 -0.06 0.00 -0.53 0.00 0.00 39.78 36.74 1ubr n ASN 177 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1ubr s ARG 178 N -3.97 3.68 0.17 1.20 0.52 -1.25 -0.98 118.95 118.31 1ubr s ARG 178 Ca 0.00 0.13 -0.32 0.00 -0.52 0.00 0.00 55.73 55.02 1ubr s ARG 178 Cb 0.00 -3.21 -0.11 0.00 0.52 0.00 0.00 34.95 32.15 1ubr s ARG 178 CO 0.00 0.73 1.78 -2.30 0.02 0.00 0.00 175.30 175.53 1ubr n PRO 179 N 1.93 2.80 0.29 3.54 -0.02 -1.26 -0.06 135.00 142.22 1ubr n PRO 179 Ca -0.17 1.01 0.19 0.00 -2.02 0.00 0.00 63.50 62.51 1ubr n PRO 179 Cb 0.54 -2.89 0.82 0.00 -0.02 0.00 0.00 33.50 31.95 1ubr n PRO 179 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ubr h THR 180 N 4.20 0.00 0.00 3.45 1.35 -1.43 -0.91 112.91 119.57 1ubr h THR 180 Ca -0.45 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1ubr h THR 180 Cb 1.21 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1ubr h THR 180 CO 0.95 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.22 1ubr h MET 181 N 0.00 0.00 0.00 4.72 -0.00 -1.89 -2.22 114.93 115.54 1ubr h MET 181 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 1ubr h MET 181 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.97 1ubr h MET 181 CO 0.00 0.00 -1.13 1.19 -0.00 0.00 0.00 176.91 176.97 1ubr n PHE 182 N -2.34 0.00 -0.85 -0.10 3.72 -0.80 -4.77 117.46 112.32 1ubr n PHE 182 Ca 0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.50 1ubr n PHE 182 Cb 0.22 -0.09 0.21 0.00 -0.94 0.00 0.00 39.48 38.88 1ubr n PHE 182 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ubr n PHE 183 N -2.08 0.66 1.12 1.38 3.72 -0.41 -3.38 117.46 118.46 1ubr n PHE 183 Ca -0.03 -0.83 0.14 0.00 -0.05 0.00 0.00 57.45 56.68 1ubr n PHE 183 Cb 0.56 -0.23 0.58 0.00 -0.94 0.00 0.00 39.48 39.44 1ubr n PHE 183 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubr n GLY 184 N -0.55 -1.35 3.29 1.37 0.00 -0.84 -4.59 105.19 102.53 1ubr n GLY 184 Ca 0.18 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1ubr n GLY 184 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubr s GLN 185 N -2.87 1.18 0.64 1.61 -0.21 -1.26 -5.08 119.66 113.67 1ubr s GLN 185 Ca 0.18 -1.14 -0.17 0.00 0.02 0.00 0.00 55.36 54.25 1ubr s GLN 185 Cb 0.19 -1.44 -0.01 0.00 1.00 0.00 0.00 33.01 32.75 1ubr s GLN 185 CO 0.54 0.34 1.15 0.95 -2.12 0.00 0.00 175.29 176.15 1ubr s THR 186 N -1.10 2.95 0.38 -0.19 -4.23 -1.26 -2.72 115.64 109.47 1ubr s THR 186 Ca 0.07 0.50 0.12 0.00 -1.18 0.00 0.00 61.69 61.20 1ubr s THR 186 Cb -0.10 -3.08 0.12 0.00 1.34 0.00 0.00 72.50 70.78 1ubr s THR 186 CO 0.04 -0.22 1.86 -0.37 -0.54 0.00 0.00 174.62 175.40 1ubr h VAL 187 N 0.35 1.23 -0.76 2.29 -1.51 -0.74 -3.02 116.25 114.10 1ubr h VAL 187 Ca -0.48 -1.07 -0.01 0.00 -1.23 0.00 0.00 66.70 63.91 1ubr h VAL 187 Cb 1.27 1.53 -0.04 0.00 -2.13 0.00 0.00 31.29 31.92 1ubr h VAL 187 CO 0.54 0.31 0.44 -0.74 -1.23 0.00 0.00 177.57 176.89 1ubr h HIS 188 N 0.06 1.03 0.00 5.19 -0.00 -1.69 -2.11 115.15 117.63 1ubr h HIS 188 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1ubr h HIS 188 Cb 0.55 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 1ubr h HIS 188 CO 0.00 0.71 0.00 1.05 -0.00 0.00 0.00 177.93 179.69 1ubr h GLU 189 N 1.05 0.00 -0.02 5.26 4.11 -1.82 -1.61 114.58 121.54 1ubr h GLU 189 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1ubr h GLU 189 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ubr h GLU 189 CO -0.05 0.00 -0.03 1.04 0.07 0.00 0.00 179.01 180.05 1ubr n GLN 190 N -2.62 2.04 -2.89 1.06 6.02 -0.82 -5.00 117.38 115.16 1ubr n GLN 190 Ca 0.01 -1.56 -0.40 0.00 -0.01 0.00 0.00 57.00 55.04 1ubr n GLN 190 Cb 0.22 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 1ubr n GLN 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ubr h PRO 192 N 4.62 0.00 -0.04 0.00 0.11 -1.93 -2.27 132.00 132.50 1ubr h PRO 192 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ubr h PRO 192 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ubr h PRO 192 CO 0.68 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.01 1ubr n ARG 193 N -2.43 1.65 -0.36 1.05 1.74 -1.26 -4.36 116.66 112.70 1ubr n ARG 193 Ca 0.00 -0.95 0.08 0.00 -0.77 0.00 0.00 57.85 56.21 1ubr n ARG 193 Cb 0.15 -1.46 0.25 0.00 -1.02 0.00 0.00 32.46 30.38 1ubr n ARG 193 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ubr h LEU 194 N 2.24 0.89 -1.69 0.55 5.85 -1.70 0.22 115.31 121.67 1ubr h LEU 194 Ca 0.00 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1ubr h LEU 194 Cb 0.48 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1ubr h LEU 194 CO 0.00 0.44 0.35 -0.65 -0.34 0.00 0.00 178.44 178.24 1ubr h PRO 195 N 0.94 0.36 -0.19 5.25 0.11 -1.84 0.30 132.00 136.92 1ubr h PRO 195 Ca 0.51 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.49 1ubr h PRO 195 Cb 0.58 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1ubr h PRO 195 CO -0.29 0.24 -0.32 0.45 -0.21 0.00 0.00 178.00 177.87 1ubr h HIS 196 N 0.37 0.69 -0.33 0.65 3.86 -0.89 -2.25 115.15 117.26 1ubr h HIS 196 Ca 0.24 -0.24 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1ubr h HIS 196 Cb 0.45 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.71 1ubr h HIS 196 CO -0.00 0.96 -0.15 0.35 0.86 0.00 0.00 177.93 179.95 1ubr h PHE 197 N 0.22 -0.37 -0.84 2.45 3.04 -0.82 0.16 116.94 120.79 1ubr h PHE 197 Ca 0.01 0.04 0.12 0.00 3.98 0.00 0.00 57.97 62.12 1ubr h PHE 197 Cb 0.90 0.21 -0.06 0.00 2.56 0.00 0.00 35.95 39.56 1ubr h PHE 197 CO 0.09 -0.23 0.54 -0.44 -2.02 0.00 0.00 178.31 176.26 1ubr h ASP 198 N -0.10 0.66 -0.11 0.41 5.19 -0.83 -1.01 116.42 120.63 1ubr h ASP 198 Ca 0.17 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1ubr h ASP 198 Cb 0.35 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1ubr h ASP 198 CO -0.39 0.37 0.00 0.00 -3.12 0.00 0.00 179.24 176.10 1ubr n ALA 199 N -2.44 2.55 -2.45 3.45 0.00 -0.70 -4.91 120.51 116.01 1ubr n ALA 199 Ca 0.15 -0.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 1ubr n ALA 199 Cb 0.39 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1ubr n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubr n GLY 200 N 1.08 -0.29 3.36 0.00 0.00 -0.38 -4.96 105.19 104.00 1ubr n GLY 200 Ca 0.17 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1ubr n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubr s GLU 201 N -4.97 3.48 -0.08 1.61 2.02 0.42 -5.02 118.70 116.16 1ubr s GLU 201 Ca 0.06 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 52.95 1ubr s GLU 201 Cb -0.03 -4.50 -0.03 0.00 0.10 0.00 0.00 34.13 29.67 1ubr s GLU 201 CO 0.08 -1.43 -0.08 -0.06 0.02 0.00 0.00 175.26 173.79 1ubr s PHE 202 N 1.13 2.92 0.12 1.61 0.08 -1.26 -1.98 117.98 120.60 1ubr s PHE 202 Ca 0.19 -0.08 -0.31 0.00 0.12 0.00 0.00 56.93 56.85 1ubr s PHE 202 Cb -0.13 -1.74 -0.08 0.00 -0.57 0.00 0.00 43.02 40.50 1ubr s PHE 202 CO -0.06 0.24 1.40 0.00 -0.10 0.00 0.00 175.22 176.69 1ubr s ALA 203 N -0.58 3.60 -0.79 5.36 0.00 0.05 -4.87 121.76 124.54 1ubr s ALA 203 Ca 0.09 1.14 0.26 0.00 0.00 0.00 0.00 51.96 53.44 1ubr s ALA 203 Cb -0.12 -3.54 0.62 0.00 0.00 0.00 0.00 23.12 20.08 1ubr s ALA 203 CO 0.02 -0.62 1.54 -0.35 0.00 0.00 0.00 175.76 176.34 1ubr n PRO 204 N 3.90 0.18 -3.51 0.00 -0.04 -1.26 -4.43 135.00 129.83 1ubr n PRO 204 Ca 0.11 0.09 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1ubr n PRO 204 Cb 0.42 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1ubr n PRO 204 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ubr s SER 205 N -3.86 -0.44 0.34 3.54 1.04 -1.26 -4.95 113.70 108.11 1ubr s SER 205 Ca 0.09 -0.07 0.17 0.00 0.48 0.00 0.00 55.95 56.61 1ubr s SER 205 Cb 0.15 0.52 0.57 0.00 0.10 0.00 0.00 66.02 67.36 1ubr s SER 205 CO 0.66 -0.86 1.69 -0.26 0.98 0.00 0.00 173.24 175.45 1ubr h PHE 206 N 2.00 0.00 -0.00 5.02 0.04 -1.97 -2.94 116.94 119.08 1ubr h PHE 206 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1ubr h PHE 206 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1ubr h PHE 206 CO 0.27 0.44 -0.01 -0.85 -0.60 0.00 0.00 178.31 177.56 1ubr n GLU 207 N -3.58 0.08 -1.37 1.51 0.00 -1.26 -4.70 120.64 111.32 1ubr n GLU 207 Ca -0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1ubr n GLU 207 Cb 0.55 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.57 1ubr n GLU 207 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1ubr s SER 208 N -2.92 4.50 0.38 -1.84 1.04 -1.11 -4.88 113.70 108.87 1ubr s SER 208 Ca 0.17 1.97 0.08 0.00 0.48 0.00 0.00 55.95 58.64 1ubr s SER 208 Cb 0.19 -2.54 0.76 0.00 0.10 0.00 0.00 66.02 64.53 1ubr s SER 208 CO 0.52 -2.04 1.93 -0.33 0.98 0.00 0.00 173.24 174.29 1ubr h GLU 209 N -0.76 0.35 -0.71 4.02 4.39 -1.92 -1.63 114.58 118.32 1ubr h GLU 209 Ca -0.45 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 1ubr h GLU 209 Cb 1.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 1ubr h GLU 209 CO 0.51 0.41 0.36 0.93 -1.16 0.00 0.00 179.01 180.06 1ubr h GLU 210 N 0.34 1.02 -0.57 2.33 3.07 -1.91 0.05 114.58 118.90 1ubr h GLU 210 Ca 0.07 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 1ubr h GLU 210 Cb 0.30 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1ubr h GLU 210 CO 0.01 0.79 0.14 0.00 -1.40 0.00 0.00 179.01 178.54 1ubr h ALA 211 N 1.18 0.75 -0.98 3.43 0.00 -1.66 -0.71 119.26 121.26 1ubr h ALA 211 Ca 0.25 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1ubr h ALA 211 Cb 0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1ubr h ALA 211 CO -0.03 0.45 0.63 -0.09 0.00 0.00 0.00 179.25 180.20 1ubr h ARG 212 N 0.81 1.08 -0.00 0.00 2.43 -0.85 -0.80 114.38 117.04 1ubr h ARG 212 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1ubr h ARG 212 Cb 0.34 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1ubr h ARG 212 CO 0.00 0.71 0.00 1.63 -1.51 0.00 0.00 179.97 180.80 1ubr n LYS 213 N -4.55 1.02 -1.17 0.20 5.02 -0.04 -4.91 118.16 113.74 1ubr n LYS 213 Ca 0.16 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1ubr n LYS 213 Cb 0.21 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1ubr n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubr n GLY 214 N 0.94 0.56 3.67 0.72 0.00 -0.31 -5.05 105.19 105.73 1ubr n GLY 214 Ca 0.21 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1ubr n GLY 214 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ubr s TRP 215 N -2.00 2.10 0.43 1.61 0.52 -0.32 -4.87 118.94 116.41 1ubr s TRP 215 Ca 0.00 1.19 -0.25 0.00 0.02 0.00 0.00 56.10 57.06 1ubr s TRP 215 Cb 0.00 -3.19 -0.08 0.00 -1.15 0.00 0.00 33.47 29.05 1ubr s TRP 215 CO 0.00 -2.75 1.33 0.00 0.02 0.00 0.00 176.95 175.55 1ubr n LEU 217 N -0.11 3.40 -0.26 0.00 4.77 -1.26 -0.77 117.00 122.77 1ubr n LEU 217 Ca 0.05 -1.71 -0.06 0.00 -0.03 0.00 0.00 56.01 54.26 1ubr n LEU 217 Cb 0.43 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1ubr n LEU 217 CO 0.56 0.70 1.09 0.22 -1.33 0.00 0.00 177.39 178.63 1ubr h TYR 218 N 3.24 1.00 0.00 -1.77 5.03 -1.91 -0.86 116.97 121.71 1ubr h TYR 218 Ca 0.00 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1ubr h TYR 218 Cb 0.96 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.93 1ubr h TYR 218 CO 0.49 0.72 0.00 1.49 -1.32 0.00 0.00 178.16 179.54 1ubr h GLU 219 N 0.99 0.00 -0.60 1.82 4.81 -1.82 -1.19 114.58 118.60 1ubr h GLU 219 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1ubr h GLU 219 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ubr h GLU 219 CO -0.04 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.52 1ubr n LEU 220 N -2.76 3.44 0.00 1.64 4.32 -0.38 -4.59 117.00 118.67 1ubr n LEU 220 Ca 0.01 -1.73 0.00 0.00 -0.02 0.00 0.00 56.01 54.27 1ubr n LEU 220 Cb 0.25 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1ubr n LEU 220 CO 0.23 0.70 0.00 0.61 -1.22 0.00 0.00 177.39 177.71 1ubr n GLY 221 N 1.16 0.74 3.68 -0.72 0.00 -0.45 -4.36 105.19 105.24 1ubr n GLY 221 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1ubr n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubr n LYS 223 N 3.70 3.02 -0.29 0.00 4.76 -0.25 -4.55 118.16 124.55 1ubr n LYS 223 Ca 0.17 -2.72 0.11 0.00 -2.87 0.00 0.00 58.31 53.01 1ubr n LYS 223 Cb 0.30 -1.67 0.26 0.00 -1.84 0.00 0.00 35.03 32.08 1ubr n LYS 223 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1ubr h GLY 224 N 4.35 1.24 2.00 0.72 0.00 -1.90 -1.08 103.07 108.40 1ubr h GLY 224 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ubr h GLY 224 CO 0.07 -0.36 0.00 -2.55 0.00 0.00 0.00 176.54 173.70 1ubr h PRO 225 N 0.17 0.00 -0.02 4.80 0.11 -1.95 -2.49 132.00 132.63 1ubr h PRO 225 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1ubr h PRO 225 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ubr h PRO 225 CO -0.67 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.45 1ubr n VAL 226 N -2.84 1.81 -4.99 3.15 0.24 -0.43 -4.91 118.33 110.36 1ubr n VAL 226 Ca -0.01 -2.09 -0.29 0.00 -2.04 0.00 0.00 64.34 59.90 1ubr n VAL 226 Cb 0.13 -0.15 -0.17 0.00 -1.47 0.00 0.00 33.84 32.18 1ubr n VAL 226 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ubr s THR 227 N -2.65 1.73 -0.27 3.34 2.01 -1.07 -4.99 115.64 113.74 1ubr s THR 227 Ca 0.29 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.36 1ubr s THR 227 Cb 0.25 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 1ubr s THR 227 CO 0.03 0.49 0.17 -0.04 -0.69 0.00 0.00 174.62 174.58 1ubr s MET 228 N 0.44 3.93 0.03 4.92 1.00 -1.26 -0.36 119.30 127.99 1ubr s MET 228 Ca -0.17 -0.34 -0.29 0.00 0.00 0.00 0.00 55.69 54.90 1ubr s MET 228 Cb -0.17 -3.59 0.10 0.00 0.00 0.00 0.00 34.83 31.17 1ubr s MET 228 CO 0.07 -0.14 1.15 1.21 0.00 0.00 0.00 175.02 177.31 1ubr s ASN 229 N 1.62 -0.12 -0.28 3.03 3.04 -1.10 -4.78 114.94 116.34 1ubr s ASN 229 Ca 0.07 -0.21 0.10 0.00 0.04 0.00 0.00 52.86 52.86 1ubr s ASN 229 Cb -0.15 0.28 0.52 0.00 -1.54 0.00 0.00 41.25 40.36 1ubr s ASN 229 CO 0.09 -0.51 1.49 -0.46 -3.04 0.00 0.00 177.10 174.67 1ubr n ASN 230 N -0.44 2.87 -0.12 -4.21 2.04 -1.22 -4.07 115.26 110.12 1ubr n ASN 230 Ca -0.07 -3.60 -0.05 0.00 -0.44 0.00 0.00 54.58 50.42 1ubr n ASN 230 Cb 0.62 -0.63 0.03 0.00 -2.53 0.00 0.00 39.78 37.27 1ubr n ASN 230 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ubr h PRO 232 N 0.22 0.00 0.00 0.00 0.11 -1.88 0.24 132.00 130.69 1ubr h PRO 232 Ca 0.19 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 1ubr h PRO 232 Cb 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1ubr h PRO 232 CO -0.24 0.00 -0.53 -0.22 -0.21 0.00 0.00 178.00 176.80 1ubr h LYS 233 N 0.00 0.00 0.09 1.05 3.64 -1.70 -3.40 116.57 116.25 1ubr h LYS 233 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1ubr h LYS 233 Cb 0.47 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1ubr h LYS 233 CO 0.00 0.48 -1.58 0.82 -2.27 0.00 0.00 179.45 176.90 1ubr h ILE 234 N -1.00 1.07 -2.88 2.00 1.08 -1.39 -3.51 117.51 112.88 1ubr h ILE 234 Ca -0.10 -2.77 0.31 0.00 -0.39 0.00 0.00 64.86 61.91 1ubr h ILE 234 Cb 0.73 2.67 -0.08 0.00 -3.07 0.00 0.00 36.82 37.07 1ubr h ILE 234 CO -0.06 0.77 -0.41 0.29 -0.69 0.00 0.00 178.15 178.05 1ubr n LYS 235 N -3.37 -2.31 -4.89 2.37 5.02 0.07 -4.71 118.16 110.35 1ubr n LYS 235 Ca -0.17 1.52 -0.31 0.00 -2.02 0.00 0.00 58.31 57.33 1ubr n LYS 235 Cb 1.04 -2.81 -0.14 0.00 -0.02 0.00 0.00 35.03 33.09 1ubr n LYS 235 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ubr s PHE 236 N -1.79 2.43 -1.53 2.13 0.08 0.10 -4.67 117.98 114.73 1ubr s PHE 236 Ca 0.00 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1ubr s PHE 236 Cb 0.00 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 1ubr s PHE 236 CO 0.00 0.15 0.00 0.09 -0.10 0.00 0.00 175.22 175.36 1ubr n ASN 237 N 1.84 -4.96 -1.53 1.36 4.13 -1.26 -0.89 115.26 113.95 1ubr n ASN 237 Ca -0.17 0.13 -0.17 0.00 1.68 0.00 0.00 54.58 56.05 1ubr n ASN 237 Cb 0.52 -4.21 -0.05 0.00 -1.54 0.00 0.00 39.78 34.50 1ubr n ASN 237 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ubr n GLN 238 N -2.80 -1.26 0.00 3.52 3.00 -1.26 -4.75 117.38 113.84 1ubr n GLN 238 Ca -0.20 1.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1ubr n GLN 238 Cb 0.64 -5.32 0.00 0.00 0.00 0.00 0.00 30.24 25.56 1ubr n GLN 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1ubr n THR 239 N -2.99 0.00 -3.88 5.09 5.66 -0.07 -5.11 114.28 112.99 1ubr n THR 239 Ca -0.18 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.74 1ubr n THR 239 Cb 0.59 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.36 1ubr n THR 239 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ubr s ASN 240 N -0.34 -0.12 0.18 1.09 3.84 -0.83 -4.94 114.94 113.82 1ubr s ASN 240 Ca 0.00 -0.82 -0.20 0.00 0.21 0.00 0.00 52.86 52.05 1ubr s ASN 240 Cb 0.00 0.74 0.05 0.00 -0.55 0.00 0.00 41.25 41.48 1ubr s ASN 240 CO 0.00 -1.40 0.56 -1.66 -2.79 0.00 0.00 177.10 171.81 1ubr s TRP 241 N -3.50 -0.32 0.21 0.43 1.48 -1.26 0.02 118.94 115.99 1ubr s TRP 241 Ca 0.14 0.02 -0.15 0.00 -1.06 0.00 0.00 56.10 55.05 1ubr s TRP 241 Cb -0.05 0.49 0.21 0.00 -1.16 0.00 0.00 33.47 32.96 1ubr s TRP 241 CO 0.09 -0.90 1.61 -1.35 -4.06 0.00 0.00 176.95 172.34 1ubr h PRO 242 N 2.11 -0.05 0.00 3.25 0.11 -1.95 -1.73 132.00 133.74 1ubr h PRO 242 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1ubr h PRO 242 Cb 1.28 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ubr h PRO 242 CO 0.37 -0.03 0.00 -0.39 -0.21 0.00 0.00 178.00 177.74 1ubr h VAL 243 N -0.05 0.00 0.00 3.15 -1.51 -1.87 -1.31 116.25 114.65 1ubr h VAL 243 Ca 0.29 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1ubr h VAL 243 Cb 0.50 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1ubr h VAL 243 CO -0.66 0.00 0.00 0.44 -1.23 0.00 0.00 177.57 176.12 1ubr h ASP 244 N 0.00 0.00 -0.17 4.19 3.32 -1.65 -0.30 116.42 121.82 1ubr h ASP 244 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ubr h ASP 244 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1ubr h ASP 244 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1ubr n ALA 245 N -1.94 2.52 -0.57 3.45 0.00 -0.55 -4.93 120.51 118.49 1ubr n ALA 245 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ubr n ALA 245 Cb 0.27 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1ubr n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubr n GLY 246 N 1.05 0.73 3.43 0.00 0.00 -0.12 -5.05 105.19 105.23 1ubr n GLY 246 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ubr n GLY 246 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubr s HIS 247 N -2.30 2.59 0.68 1.61 5.65 -0.85 -5.00 115.29 117.68 1ubr s HIS 247 Ca 0.00 -0.24 -0.17 0.00 0.25 0.00 0.00 55.06 54.90 1ubr s HIS 247 Cb 0.00 -1.58 0.01 0.00 -1.18 0.00 0.00 32.58 29.83 1ubr s HIS 247 CO 0.00 0.13 1.28 -1.25 -0.65 0.00 0.00 174.74 174.25 1ubr s PRO 248 N -0.74 2.33 0.31 2.88 0.04 -1.26 -3.09 135.00 135.46 1ubr s PRO 248 Ca 0.11 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 1ubr s PRO 248 Cb -0.10 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 1ubr s PRO 248 CO 0.00 -1.75 1.57 0.00 0.04 0.00 0.00 177.00 176.87 1ubr n ILE 250 N 1.82 0.55 -1.44 0.00 -5.35 -1.26 -1.09 119.36 112.59 1ubr n ILE 250 Ca 0.07 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 1ubr n ILE 250 Cb 0.38 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 1ubr n ILE 250 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ubr n GLY 251 N 1.04 0.83 0.00 3.28 0.00 -1.26 -4.85 105.19 104.24 1ubr n GLY 251 Ca 0.15 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.66 1ubr n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubr n SER 253 N -1.20 3.78 -4.73 0.00 3.41 -1.26 -3.56 113.62 110.06 1ubr n SER 253 Ca 0.15 -2.04 -0.31 0.00 -0.26 0.00 0.00 58.87 56.41 1ubr n SER 253 Cb 0.17 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.58 1ubr n SER 253 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ubr s GLU 254 N -1.16 2.75 0.49 4.33 0.41 -0.61 -4.53 118.70 120.39 1ubr s GLU 254 Ca 0.46 -0.73 -0.24 0.00 -0.41 0.00 0.00 54.97 54.06 1ubr s GLU 254 Cb 0.25 -2.66 -0.07 0.00 -1.78 0.00 0.00 34.13 29.87 1ubr s GLU 254 CO 0.30 0.57 1.37 -1.25 -0.49 0.00 0.00 175.26 175.76 1ubr s PRO 255 N -2.25 3.47 -1.97 0.39 0.04 -1.26 -2.66 135.00 130.77 1ubr s PRO 255 Ca 0.27 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1ubr s PRO 255 Cb -0.12 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1ubr s PRO 255 CO 0.19 -0.94 0.00 -0.25 0.04 0.00 0.00 177.00 176.04 1ubr n ASP 256 N -0.55 -5.58 0.19 6.66 8.00 -1.26 -4.83 116.55 119.17 1ubr n ASP 256 Ca 0.07 0.27 0.04 0.00 0.71 0.00 0.00 54.79 55.89 1ubr n ASP 256 Cb 0.44 -4.75 0.39 0.00 -0.02 0.00 0.00 41.12 37.18 1ubr n ASP 256 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1ubr h PHE 257 N 0.00 0.00 -0.29 1.24 -5.15 -1.80 0.75 116.94 111.69 1ubr h PHE 257 Ca -0.44 0.00 0.08 0.00 -0.20 0.00 0.00 57.97 57.41 1ubr h PHE 257 Cb 1.34 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.49 1ubr h PHE 257 CO 0.56 0.35 0.22 -1.49 -2.00 0.00 0.00 178.31 175.95 1ubr h TRP 258 N 0.00 0.00 0.00 6.09 4.06 -1.88 -0.30 115.95 123.92 1ubr h TRP 258 Ca -0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.63 1ubr h TRP 258 Cb 0.67 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.78 1ubr h TRP 258 CO 0.00 0.00 -2.18 -0.25 -3.56 0.00 0.00 178.44 172.45 1ubr n ASP 259 N -4.37 1.37 0.09 -3.49 8.00 -0.55 -4.19 116.55 113.42 1ubr n ASP 259 Ca 0.04 -0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1ubr n ASP 259 Cb 0.38 0.48 0.04 0.00 -0.02 0.00 0.00 41.12 41.99 1ubr n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubr h ALA 260 N 0.54 0.64 -0.03 2.24 0.00 -0.67 -3.29 119.26 118.69 1ubr h ALA 260 Ca -0.46 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1ubr h ALA 260 Cb 1.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1ubr h ALA 260 CO -0.01 0.88 -0.13 -1.33 0.00 0.00 0.00 179.25 178.67 1ubr n MET 261 N -3.70 1.97 -3.36 0.00 2.81 -0.14 -4.93 117.12 109.77 1ubr n MET 261 Ca -0.03 -1.65 -0.30 0.00 -1.81 0.00 0.00 57.70 53.91 1ubr n MET 261 Cb 0.75 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.77 1ubr n MET 261 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ubr s THR 262 N -2.07 4.98 0.35 2.03 -4.23 -1.24 -3.81 115.64 111.65 1ubr s THR 262 Ca 0.25 0.26 -0.28 0.00 -1.18 0.00 0.00 61.69 60.73 1ubr s THR 262 Cb 0.19 -3.68 -0.11 0.00 1.34 0.00 0.00 72.50 70.25 1ubr s THR 262 CO 0.36 -0.21 1.38 -2.84 -0.54 0.00 0.00 174.62 172.78 1ubr s PRO 263 N -3.22 4.24 0.50 3.99 0.02 -1.26 -5.00 135.00 134.27 1ubr s PRO 263 Ca 0.46 2.37 0.27 0.00 0.02 0.00 0.00 61.00 64.12 1ubr s PRO 263 Cb -0.11 -3.02 1.27 0.00 0.02 0.00 0.00 34.50 32.66 1ubr s PRO 263 CO 0.26 -0.35 1.98 0.74 -0.33 0.00 0.00 177.00 179.30 1ubr h PHE 264 N 3.19 0.00 -0.59 6.54 0.04 -1.93 -2.64 116.94 121.54 1ubr h PHE 264 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1ubr h PHE 264 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1ubr h PHE 264 CO 0.55 0.15 0.00 0.66 -0.60 0.00 0.00 178.31 179.07 1ubr n TYR 265 N -3.48 2.03 -4.65 -0.55 4.01 -1.26 -4.33 117.16 108.94 1ubr n TYR 265 Ca -0.01 -0.71 -0.28 0.00 -0.16 0.00 0.00 57.90 56.74 1ubr n TYR 265 Cb 0.32 -0.48 -0.14 0.00 -0.31 0.00 0.00 39.34 38.72 1ubr n TYR 265 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1ubr s GLN 266 N -2.66 1.52 0.00 -0.72 -0.21 -1.00 -3.88 119.66 112.71 1ubr s GLN 266 Ca 0.55 -1.12 0.00 0.00 0.02 0.00 0.00 55.36 54.81 1ubr s GLN 266 Cb 0.41 -1.76 0.00 0.00 1.00 0.00 0.00 33.01 32.66 1ubr s GLN 266 CO 0.17 0.44 0.28 0.09 -2.12 0.00 0.00 175.29 174.15