#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubm s MET 2 N 0.00 1.76 0.00 1.47 0.23 -1.26 -4.78 119.30 116.72 1ubm s MET 2 Ca 0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 55.69 53.70 1ubm s MET 2 Cb 0.00 0.61 0.00 0.00 -1.53 0.00 0.00 34.83 33.91 1ubm s MET 2 CO 0.00 -0.80 0.00 0.41 -2.03 0.00 0.00 175.02 172.60 1ubm n GLY 3 N -0.45 1.76 0.00 3.16 0.00 -1.26 -5.06 105.19 103.34 1ubm n GLY 3 Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ubm n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ubm n PRO 4 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.73 135.00 130.60 1ubm n PRO 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ubm n PRO 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1ubm n PRO 4 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1ubm n ARG 5 N 0.00 0.00 -3.21 -0.52 3.00 -1.26 -4.55 116.66 110.11 1ubm n ARG 5 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 1ubm n ARG 5 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1ubm n ARG 5 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1ubm s ARG 6 N 0.00 4.30 0.36 -0.14 0.52 -1.26 -5.03 118.95 117.70 1ubm s ARG 6 Ca 0.00 0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 55.67 1ubm s ARG 6 Cb 0.00 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 32.05 1ubm s ARG 6 CO 0.00 0.41 1.33 -1.25 0.02 0.00 0.00 175.30 175.81 1ubm s PRO 7 N -0.34 4.19 0.12 3.54 0.04 -1.26 -4.45 135.00 136.85 1ubm s PRO 7 Ca 0.31 2.24 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 1ubm s PRO 7 Cb -0.18 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1ubm s PRO 7 CO 0.18 -0.33 0.90 0.45 0.04 0.00 0.00 177.00 178.24 1ubm s SER 8 N -0.53 7.45 -0.11 6.66 0.15 -1.26 -0.72 113.70 125.34 1ubm s SER 8 Ca 0.52 1.73 0.02 0.00 0.70 0.00 0.00 55.95 58.92 1ubm s SER 8 Cb -0.40 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.36 1ubm s SER 8 CO 0.53 -0.00 -0.17 -0.69 1.20 0.00 0.00 173.24 174.10 1ubm s VAL 9 N -0.23 1.63 -0.24 4.45 1.01 0.08 -0.90 120.40 126.20 1ubm s VAL 9 Ca 0.44 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1ubm s VAL 9 Cb -0.23 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1ubm s VAL 9 CO 0.28 0.47 0.06 -0.69 0.00 0.00 0.00 175.10 175.22 1ubm s VAL 10 N 0.80 4.28 -0.24 2.92 1.01 -0.04 -0.89 120.40 128.23 1ubm s VAL 10 Ca -0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1ubm s VAL 10 Cb -0.16 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1ubm s VAL 10 CO 0.01 0.36 0.01 -0.47 0.00 0.00 0.00 175.10 175.01 1ubm s TYR 11 N 1.48 3.04 -0.02 5.22 5.04 -0.15 -0.98 117.35 130.98 1ubm s TYR 11 Ca 0.06 -0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 53.84 1ubm s TYR 11 Cb -0.15 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.96 1ubm s TYR 11 CO 0.03 -0.51 0.06 -0.51 -1.34 0.00 0.00 175.55 173.28 1ubm s LEU 12 N 1.51 3.83 -0.23 6.97 1.43 -0.07 -4.22 118.68 127.90 1ubm s LEU 12 Ca 0.05 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1ubm s LEU 12 Cb -0.15 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1ubm s LEU 12 CO -0.00 0.29 -0.10 -1.00 0.23 0.00 0.00 176.35 175.77 1ubm s HIS 13 N -1.14 2.98 0.00 0.29 3.76 -1.26 -1.27 115.29 118.65 1ubm s HIS 13 Ca 0.21 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 1ubm s HIS 13 Cb -0.12 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.55 1ubm s HIS 13 CO 0.12 -0.72 0.00 0.09 -0.85 0.00 0.00 174.74 173.37 1ubm n ASN 14 N 4.67 0.00 -4.47 1.40 3.02 0.74 -4.96 115.26 115.66 1ubm n ASN 14 Ca -0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.94 1ubm n ASN 14 Cb 0.48 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 1ubm n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ubm s ALA 15 N -2.87 3.12 0.11 5.41 0.00 0.47 -4.88 121.76 123.11 1ubm s ALA 15 Ca 0.00 -2.09 -0.10 0.00 0.00 0.00 0.00 51.96 49.78 1ubm s ALA 15 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1ubm s ALA 15 CO 0.00 -2.94 0.24 -1.83 0.00 0.00 0.00 175.76 171.23 1ubm s GLU 16 N 3.91 0.93 0.00 0.00 4.04 -1.26 -1.44 118.70 124.88 1ubm s GLU 16 Ca 0.28 -0.96 0.19 0.00 0.04 0.00 0.00 54.97 54.52 1ubm s GLU 16 Cb -0.12 0.37 0.08 0.00 0.02 0.00 0.00 34.13 34.48 1ubm s GLU 16 CO 0.04 -0.32 1.03 0.00 -1.84 0.00 0.00 175.26 174.17 1ubm n THR 18 N 0.56 0.00 -0.08 0.00 -1.04 -1.26 -4.89 114.28 107.57 1ubm n THR 18 Ca 0.10 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.11 1ubm n THR 18 Cb 0.44 -0.20 0.31 0.00 -1.82 0.00 0.00 70.33 69.05 1ubm n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1ubm h GLY 19 N 0.00 0.76 0.98 3.41 0.00 -1.98 -1.10 103.07 105.13 1ubm h GLY 19 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1ubm h GLY 19 CO 0.00 0.33 -0.20 0.00 0.00 0.00 0.00 176.54 176.67 1ubm h SER 21 N 0.51 0.71 -0.66 0.00 0.02 -1.88 -2.06 113.55 110.19 1ubm h SER 21 Ca 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1ubm h SER 21 Cb 0.75 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1ubm h SER 21 CO 0.06 0.50 0.39 -0.33 -1.14 0.00 0.00 176.83 176.31 1ubm h GLU 22 N 0.84 0.92 -0.54 3.45 4.39 -1.11 -2.09 114.58 120.44 1ubm h GLU 22 Ca 0.25 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1ubm h GLU 22 Cb -0.04 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 1ubm h GLU 22 CO -0.08 0.66 0.32 0.66 -1.16 0.00 0.00 179.01 179.42 1ubm h SER 23 N 0.94 0.65 0.22 1.42 4.64 -0.33 -2.20 113.55 118.88 1ubm h SER 23 Ca 0.24 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.43 1ubm h SER 23 Cb -0.01 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1ubm h SER 23 CO -0.04 0.50 -0.36 0.58 -0.87 0.00 0.00 176.83 176.64 1ubm h VAL 24 N 0.75 1.29 0.00 0.95 2.07 -1.14 -0.56 116.25 119.61 1ubm h VAL 24 Ca 0.20 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1ubm h VAL 24 Cb -0.02 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ubm h VAL 24 CO -0.04 0.41 0.00 -0.07 0.02 0.00 0.00 177.57 177.90 1ubm h LEU 25 N 0.18 0.00 -0.74 2.57 3.38 -1.23 -1.55 115.31 117.93 1ubm h LEU 25 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ubm h LEU 25 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1ubm h LEU 25 CO 0.06 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.13 1ubm n ARG 26 N -2.44 1.49 -1.52 1.13 5.12 -0.22 -4.72 116.66 115.50 1ubm n ARG 26 Ca 0.00 -0.73 -0.52 0.00 -1.93 0.00 0.00 57.85 54.68 1ubm n ARG 26 Cb 0.15 -1.37 -0.05 0.00 -1.16 0.00 0.00 32.46 30.03 1ubm n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ubm n ALA 27 N -0.06 -2.07 -3.84 7.54 0.00 -0.59 -4.94 120.51 116.55 1ubm n ALA 27 Ca 0.16 0.50 -0.26 0.00 0.00 0.00 0.00 53.44 53.84 1ubm n ALA 27 Cb 0.25 -1.86 -0.17 0.00 0.00 0.00 0.00 19.45 17.67 1ubm n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ubm s PHE 28 N -0.30 1.27 -0.70 0.00 5.36 -1.26 -4.04 117.98 118.32 1ubm s PHE 28 Ca 0.77 -0.71 -0.09 0.00 -0.96 0.00 0.00 56.93 55.94 1ubm s PHE 28 Cb -0.99 -1.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.58 1ubm s PHE 28 CO 0.54 -0.51 0.64 0.39 -1.46 0.00 0.00 175.22 174.82 1ubm n GLU 29 N 4.99 -1.64 -3.02 10.12 1.02 -1.26 -4.66 120.64 126.20 1ubm n GLU 29 Ca -0.10 1.19 -0.33 0.00 -0.02 0.00 0.00 57.16 57.89 1ubm n GLU 29 Cb 0.49 -3.41 -0.06 0.00 -0.02 0.00 0.00 31.44 28.43 1ubm n GLU 29 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ubm s PRO 30 N -3.81 4.13 0.77 3.49 0.04 -1.26 -5.19 135.00 133.17 1ubm s PRO 30 Ca 0.09 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1ubm s PRO 30 Cb -0.01 -2.42 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1ubm s PRO 30 CO 0.85 0.13 1.13 0.71 0.04 0.00 0.00 177.00 179.86 1ubm s TYR 31 N -1.97 3.08 0.30 0.56 1.51 -1.26 -4.74 117.35 114.82 1ubm s TYR 31 Ca 0.55 0.94 0.23 0.00 -1.01 0.00 0.00 57.07 57.78 1ubm s TYR 31 Cb -0.11 -3.25 1.09 0.00 -0.11 0.00 0.00 41.96 39.58 1ubm s TYR 31 CO 0.17 -1.54 1.92 0.97 -1.11 0.00 0.00 175.55 175.96 1ubm h ILE 32 N -0.91 0.72 -0.23 2.71 6.09 -1.84 -0.76 117.51 123.29 1ubm h ILE 32 Ca -0.46 -0.94 -0.06 0.00 -1.37 0.00 0.00 64.86 62.03 1ubm h ILE 32 Cb 1.29 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 40.16 1ubm h ILE 32 CO 0.64 0.22 -0.07 -2.24 -3.07 0.00 0.00 178.15 173.63 1ubm h ASP 33 N 0.00 0.47 -0.66 2.19 2.03 -1.94 -0.48 116.42 118.03 1ubm h ASP 33 Ca -0.00 -0.38 0.03 0.00 -0.73 0.00 0.00 57.03 55.95 1ubm h ASP 33 Cb 0.57 -0.13 -0.04 0.00 -0.83 0.00 0.00 39.33 38.90 1ubm h ASP 33 CO 0.03 0.74 0.40 0.74 -1.03 0.00 0.00 179.24 180.12 1ubm h THR 34 N 0.19 1.07 -0.44 1.15 2.02 -1.76 -1.56 112.91 113.59 1ubm h THR 34 Ca 0.06 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1ubm h THR 34 Cb 0.54 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1ubm h THR 34 CO 0.03 0.14 0.29 -0.07 0.37 0.00 0.00 175.52 176.28 1ubm h LEU 35 N 0.79 0.50 -0.62 2.58 3.38 -0.97 -0.08 115.31 120.89 1ubm h LEU 35 Ca 0.27 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 1ubm h LEU 35 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ubm h LEU 35 CO -0.11 0.37 -0.67 0.40 0.09 0.00 0.00 178.44 178.52 1ubm h ILE 36 N 0.59 1.44 0.00 1.22 1.08 -0.85 -1.25 117.51 119.74 1ubm h ILE 36 Ca 0.16 -2.20 -0.37 0.00 -0.39 0.00 0.00 64.86 62.06 1ubm h ILE 36 Cb -0.06 2.17 -0.07 0.00 -3.07 0.00 0.00 36.82 35.79 1ubm h ILE 36 CO -0.03 0.64 -2.39 0.18 -0.69 0.00 0.00 178.15 175.86 1ubm n LEU 37 N -3.79 0.17 -0.03 1.44 4.32 -0.61 -4.58 117.00 113.93 1ubm n LEU 37 Ca -0.02 -0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.93 1ubm n LEU 37 Cb 0.66 0.42 -0.02 0.00 -1.62 0.00 0.00 43.42 42.86 1ubm n LEU 37 CO 0.44 0.52 -0.67 0.47 -1.22 0.00 0.00 177.39 176.93 1ubm n ASP 38 N -2.78 2.28 -0.01 -1.43 8.00 -0.11 -4.87 116.55 117.63 1ubm n ASP 38 Ca -0.34 0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.00 1ubm n ASP 38 Cb 1.15 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 42.00 1ubm n ASP 38 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1ubm h THR 39 N -0.08 1.64 -3.09 -3.53 2.02 -1.20 -3.48 112.91 105.19 1ubm h THR 39 Ca -0.12 -2.44 -0.43 0.00 0.77 0.00 0.00 66.41 64.19 1ubm h THR 39 Cb 1.15 3.28 -0.14 0.00 -1.74 0.00 0.00 68.15 70.70 1ubm h THR 39 CO -0.04 0.66 -0.63 -0.76 0.37 0.00 0.00 175.52 175.12 1ubm s LEU 40 N -8.04 2.15 -0.31 2.58 1.02 -0.49 -4.22 118.68 111.37 1ubm s LEU 40 Ca -0.16 -1.31 -0.00 0.00 0.02 0.00 0.00 54.13 52.68 1ubm s LEU 40 Cb -0.01 -0.32 0.06 0.00 0.02 0.00 0.00 46.19 45.94 1ubm s LEU 40 CO 0.76 -0.56 -0.00 -0.55 0.02 0.00 0.00 176.35 176.02 1ubm s SER 41 N -3.40 4.81 -0.73 2.29 0.15 0.10 -4.30 113.70 112.63 1ubm s SER 41 Ca 0.33 -1.47 -0.24 0.00 0.70 0.00 0.00 55.95 55.28 1ubm s SER 41 Cb 0.07 -1.68 0.06 0.00 -1.71 0.00 0.00 66.02 62.76 1ubm s SER 41 CO 0.13 -0.29 1.12 -0.22 1.20 0.00 0.00 173.24 175.18 1ubm s LEU 42 N 1.17 3.91 0.00 3.45 2.96 -1.26 -0.74 118.68 128.17 1ubm s LEU 42 Ca -0.03 -0.88 0.22 0.00 -0.22 0.00 0.00 54.13 53.23 1ubm s LEU 42 Cb -0.20 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.04 1ubm s LEU 42 CO -0.03 -1.57 1.09 0.47 -1.32 0.00 0.00 176.35 174.98 1ubm n ASP 43 N 8.34 1.10 -3.64 3.68 10.43 -0.07 -4.82 116.55 131.58 1ubm n ASP 43 Ca 0.03 -0.94 -0.06 0.00 2.57 0.00 0.00 54.79 56.38 1ubm n ASP 43 Cb 0.47 0.69 -0.07 0.00 1.84 0.00 0.00 41.12 44.06 1ubm n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1ubm s TYR 44 N -2.86 -1.07 -0.30 1.24 5.04 -1.23 -4.69 117.35 113.48 1ubm s TYR 44 Ca 0.12 2.08 -0.05 0.00 -2.44 0.00 0.00 57.07 56.78 1ubm s TYR 44 Cb 0.17 0.64 0.19 0.00 0.35 0.00 0.00 41.96 43.31 1ubm s TYR 44 CO 0.75 -0.53 0.85 -1.58 -1.34 0.00 0.00 175.55 173.70 1ubm s HIS 45 N 1.80 -1.06 0.50 4.97 2.46 -1.26 -0.97 115.29 121.73 1ubm s HIS 45 Ca -0.09 0.81 0.24 0.00 0.47 0.00 0.00 55.06 56.49 1ubm s HIS 45 Cb -0.06 0.26 1.46 0.00 -0.13 0.00 0.00 32.58 34.11 1ubm s HIS 45 CO -0.19 -0.60 2.13 0.93 -2.47 0.00 0.00 174.74 174.53 1ubm h GLU 46 N 7.77 0.00 -0.31 2.88 5.08 -1.96 -0.57 114.58 127.47 1ubm h GLU 46 Ca -0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 1ubm h GLU 46 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ubm h GLU 46 CO 0.03 0.08 -0.33 1.15 -1.00 0.00 0.00 179.01 178.94 1ubm h THR 47 N 0.00 1.28 0.00 1.13 2.02 -1.97 -3.37 112.91 112.00 1ubm h THR 47 Ca -0.00 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1ubm h THR 47 Cb 0.18 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1ubm h THR 47 CO 0.01 0.47 0.00 2.30 0.37 0.00 0.00 175.52 178.67 1ubm n ILE 48 N -4.07 0.00 -2.27 3.11 -5.35 -0.95 -5.06 119.36 104.77 1ubm n ILE 48 Ca -0.01 -0.42 -0.35 0.00 -0.27 0.00 0.00 62.75 61.70 1ubm n ILE 48 Cb 0.48 1.06 -0.00 0.00 -1.74 0.00 0.00 39.64 39.45 1ubm n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubm s MET 49 N -0.50 3.38 0.05 6.28 0.23 -0.26 -4.95 119.30 123.52 1ubm s MET 49 Ca 0.00 1.59 -0.18 0.00 -1.03 0.00 0.00 55.69 56.07 1ubm s MET 49 Cb 0.00 -2.01 -0.17 0.00 -1.53 0.00 0.00 34.83 31.12 1ubm s MET 49 CO 0.00 -0.82 1.25 0.00 -2.03 0.00 0.00 175.02 173.42 1ubm h ALA 50 N 1.21 0.22 -2.50 3.16 0.00 -1.95 -3.45 119.26 115.95 1ubm h ALA 50 Ca -0.50 -0.49 -0.50 0.00 0.00 0.00 0.00 54.91 53.42 1ubm h ALA 50 Cb 1.26 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 19.10 1ubm h ALA 50 CO 0.57 0.38 0.41 0.00 0.00 0.00 0.00 179.25 180.61 1ubm s ALA 51 N -3.75 2.67 0.25 0.00 0.00 -1.26 -5.06 121.76 114.61 1ubm s ALA 51 Ca -0.13 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1ubm s ALA 51 Cb 0.06 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 1ubm s ALA 51 CO 0.83 -0.83 0.08 0.00 0.00 0.00 0.00 175.76 175.83 1ubm s ALA 52 N -2.01 1.71 0.00 0.00 0.00 -1.26 -4.56 121.76 115.64 1ubm s ALA 52 Ca 0.70 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1ubm s ALA 52 Cb -0.21 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1ubm s ALA 52 CO 0.30 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1ubm n GLY 53 N -0.44 2.66 0.37 0.00 0.00 -1.26 -2.14 105.19 104.38 1ubm n GLY 53 Ca -0.01 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1ubm n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ubm h ASP 54 N 6.18 0.64 -0.66 1.61 3.32 -1.99 -0.33 116.42 125.20 1ubm h ASP 54 Ca 0.00 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1ubm h ASP 54 Cb 0.00 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1ubm h ASP 54 CO 0.00 0.36 0.09 0.00 -1.72 0.00 0.00 179.24 177.97 1ubm h ALA 55 N 1.60 0.88 -0.40 3.45 0.00 -1.83 -0.45 119.26 122.51 1ubm h ALA 55 Ca 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ubm h ALA 55 Cb 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ubm h ALA 55 CO -0.16 0.67 0.13 0.00 0.00 0.00 0.00 179.25 179.88 1ubm h ALA 56 N 1.04 0.52 -0.65 0.00 0.00 -0.93 -1.51 119.26 117.73 1ubm h ALA 56 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ubm h ALA 56 Cb 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ubm h ALA 56 CO 0.02 0.16 0.18 0.93 0.00 0.00 0.00 179.25 180.54 1ubm h GLU 57 N 0.50 1.01 -0.61 0.00 5.08 -0.75 -1.45 114.58 118.36 1ubm h GLU 57 Ca 0.13 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1ubm h GLU 57 Cb 0.25 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1ubm h GLU 57 CO -0.01 0.88 0.09 0.00 -1.00 0.00 0.00 179.01 178.98 1ubm h ALA 58 N 1.22 0.81 -0.62 3.43 0.00 -0.99 -1.75 119.26 121.36 1ubm h ALA 58 Ca 0.21 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ubm h ALA 58 Cb 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ubm h ALA 58 CO -0.00 0.58 0.37 0.00 0.00 0.00 0.00 179.25 180.20 1ubm h ALA 59 N 1.02 0.82 -0.17 0.00 0.00 -0.89 0.65 119.26 120.68 1ubm h ALA 59 Ca 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ubm h ALA 59 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ubm h ALA 59 CO 0.01 0.10 0.08 1.25 0.00 0.00 0.00 179.25 180.70 1ubm h LEU 60 N 0.73 0.12 -0.58 0.00 5.85 -0.97 -1.26 115.31 119.20 1ubm h LEU 60 Ca 0.26 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1ubm h LEU 60 Cb 0.06 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1ubm h LEU 60 CO -0.12 0.10 0.36 -0.08 -0.34 0.00 0.00 178.44 178.36 1ubm h GLU 61 N 0.18 0.69 -0.40 1.25 4.57 -0.98 0.99 114.58 120.88 1ubm h GLU 61 Ca 0.07 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1ubm h GLU 61 Cb 0.02 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1ubm h GLU 61 CO -0.05 0.46 0.18 0.37 -1.18 0.00 0.00 179.01 178.78 1ubm h GLN 62 N 0.71 0.35 -0.42 1.92 4.15 -0.56 -1.72 115.11 119.55 1ubm h GLN 62 Ca 0.23 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 1ubm h GLN 62 Cb -0.00 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1ubm h GLN 62 CO -0.09 0.23 -0.12 0.00 -1.93 0.00 0.00 178.83 176.93 1ubm h ALA 63 N 1.23 0.58 -0.01 3.38 0.00 -0.22 -3.02 119.26 121.19 1ubm h ALA 63 Ca 0.17 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1ubm h ALA 63 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ubm h ALA 63 CO -0.14 0.47 -0.58 -0.39 0.00 0.00 0.00 179.25 178.61 1ubm h VAL 64 N 0.64 1.41 -0.41 0.00 -1.51 -0.66 -3.09 116.25 112.63 1ubm h VAL 64 Ca 0.10 -1.98 0.00 0.00 -1.23 0.00 0.00 66.70 63.60 1ubm h VAL 64 Cb 0.66 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1ubm h VAL 64 CO 0.05 0.57 0.00 0.59 -1.23 0.00 0.00 177.57 177.54 1ubm n ASN 65 N -3.86 2.53 -4.72 4.19 3.02 -0.66 -4.92 115.26 110.85 1ubm n ASN 65 Ca -0.01 -1.94 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1ubm n ASN 65 Cb 0.58 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 1ubm n ASN 65 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ubm s SER 66 N -1.18 6.95 0.63 6.41 0.15 -1.15 -4.89 113.70 120.62 1ubm s SER 66 Ca 0.33 2.22 0.33 0.00 0.70 0.00 0.00 55.95 59.53 1ubm s SER 66 Cb 0.18 -2.59 1.84 0.00 -1.71 0.00 0.00 66.02 63.74 1ubm s SER 66 CO 0.24 -0.55 2.11 -0.65 1.20 0.00 0.00 173.24 175.60 1ubm h PRO 67 N 6.47 0.00 0.00 5.44 0.11 -1.92 -1.62 132.00 140.49 1ubm h PRO 67 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ubm h PRO 67 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ubm h PRO 67 CO 0.82 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.33 1ubm n HIS 68 N -3.35 0.00 0.00 0.65 8.25 -1.26 -5.03 115.22 114.48 1ubm n HIS 68 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ubm n HIS 68 Cb 0.29 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1ubm n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ubm n GLY 69 N 0.73 -2.31 3.26 -1.41 0.00 -0.61 -4.95 105.19 99.91 1ubm n GLY 69 Ca 0.07 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 1ubm n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ubm s PHE 70 N -2.69 -0.08 -0.15 1.61 -0.71 -1.26 -4.44 117.98 110.27 1ubm s PHE 70 Ca 0.00 -0.18 -0.10 0.00 -1.04 0.00 0.00 56.93 55.61 1ubm s PHE 70 Cb 0.00 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.87 1ubm s PHE 70 CO 0.00 -0.57 0.18 0.42 -1.34 0.00 0.00 175.22 173.91 1ubm s ILE 71 N -3.23 5.40 -0.13 -4.49 1.01 -0.08 -0.23 121.20 119.46 1ubm s ILE 71 Ca -0.00 0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 1ubm s ILE 71 Cb 0.01 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1ubm s ILE 71 CO -0.08 0.51 0.05 0.00 0.00 0.00 0.00 174.94 175.42 1ubm s ALA 72 N -0.25 3.42 -0.15 9.38 0.00 -0.31 -0.86 121.76 132.99 1ubm s ALA 72 Ca 0.13 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1ubm s ALA 72 Cb -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1ubm s ALA 72 CO 0.02 0.44 -0.18 0.08 0.00 0.00 0.00 175.76 176.13 1ubm s VAL 73 N -0.44 2.45 -0.11 0.00 1.01 -0.15 -0.72 120.40 122.44 1ubm s VAL 73 Ca 0.09 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1ubm s VAL 73 Cb -0.12 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1ubm s VAL 73 CO 0.02 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.75 1ubm s VAL 74 N 0.81 2.37 -0.09 2.92 1.01 0.63 -0.90 120.40 127.15 1ubm s VAL 74 Ca -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1ubm s VAL 74 Cb -0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1ubm s VAL 74 CO -0.01 0.55 -0.11 -0.70 0.00 0.00 0.00 175.10 174.83 1ubm s GLU 75 N 0.41 2.97 0.00 2.72 2.12 -0.40 -0.63 118.70 125.89 1ubm s GLU 75 Ca -0.15 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.54 1ubm s GLU 75 Cb -0.17 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.65 1ubm s GLU 75 CO 0.07 0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1ubm n GLY 76 N 2.81 0.66 3.90 -1.50 0.00 -1.26 -0.19 105.19 109.61 1ubm n GLY 76 Ca -0.18 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 1ubm n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubm s GLY 77 N -1.25 1.62 -0.32 -0.02 0.00 -0.52 -3.37 107.32 103.45 1ubm s GLY 77 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 44.72 44.06 1ubm s GLY 77 CO 0.00 -0.24 0.14 -0.42 0.00 0.00 0.00 173.10 172.58 1ubm s ILE 78 N -3.16 4.40 -0.04 0.90 1.01 0.41 -0.40 121.20 124.33 1ubm s ILE 78 Ca 0.56 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 1ubm s ILE 78 Cb -0.11 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1ubm s ILE 78 CO 0.48 -0.00 1.37 -2.84 0.00 0.00 0.00 174.94 173.95 1ubm s PRO 79 N 1.56 4.28 -0.00 2.79 0.02 -1.26 -1.29 135.00 141.10 1ubm s PRO 79 Ca 0.03 1.90 0.05 0.00 0.02 0.00 0.00 61.00 63.00 1ubm s PRO 79 Cb -0.18 -3.64 -0.05 0.00 0.02 0.00 0.00 34.50 30.65 1ubm s PRO 79 CO 0.05 -0.60 0.18 0.25 -0.33 0.00 0.00 177.00 176.55 1ubm n THR 80 N 4.84 0.00 -1.58 0.99 -2.24 -0.58 -4.18 114.28 111.53 1ubm n THR 80 Ca 0.13 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 1ubm n THR 80 Cb 0.44 0.91 0.08 0.00 -2.10 0.00 0.00 70.33 69.66 1ubm n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubm s ALA 81 N -1.57 2.23 -1.49 6.98 0.00 -0.50 -3.10 121.76 124.32 1ubm s ALA 81 Ca 0.01 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1ubm s ALA 81 Cb 0.03 -3.49 0.08 0.00 0.00 0.00 0.00 23.12 19.74 1ubm s ALA 81 CO 0.19 -1.72 0.85 0.00 0.00 0.00 0.00 175.76 175.07 1ubm n ALA 82 N -2.38 -1.20 -2.04 0.00 0.00 -1.26 -1.22 120.51 112.40 1ubm n ALA 82 Ca 0.14 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 1ubm n ALA 82 Cb 0.50 -4.10 -0.02 0.00 0.00 0.00 0.00 19.45 15.83 1ubm n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ubm n ASN 83 N -2.69 -4.31 0.00 0.00 5.15 -1.18 -2.97 115.26 109.26 1ubm n ASN 83 Ca 0.02 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1ubm n ASN 83 Cb 0.54 -3.37 0.00 0.00 -0.53 0.00 0.00 39.78 36.42 1ubm n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ubm n GLY 84 N -1.09 0.58 0.05 8.20 0.00 -0.36 -4.94 105.19 107.64 1ubm n GLY 84 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.96 1ubm n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ubm n ILE 85 N -2.83 0.86 0.60 -0.61 -6.64 -1.16 -2.76 119.36 106.81 1ubm n ILE 85 Ca 0.00 0.20 0.11 0.00 -1.77 0.00 0.00 62.75 61.29 1ubm n ILE 85 Cb 0.00 -1.01 0.44 0.00 -1.44 0.00 0.00 39.64 37.63 1ubm n ILE 85 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1ubm n TYR 86 N -1.81 0.36 -3.65 4.28 4.01 -1.26 -4.53 117.16 114.55 1ubm n TYR 86 Ca 0.03 0.13 -0.22 0.00 -0.16 0.00 0.00 57.90 57.67 1ubm n TYR 86 Cb 0.21 -0.70 -0.18 0.00 -0.31 0.00 0.00 39.34 38.36 1ubm n TYR 86 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ubm s GLY 87 N -3.23 0.27 0.03 2.72 0.00 -1.11 -5.05 107.32 100.94 1ubm s GLY 87 Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.83 1ubm s GLY 87 CO 0.40 1.53 -0.10 0.54 0.00 0.00 0.00 173.10 175.47 1ubm s LYS 88 N 2.16 0.72 -0.07 2.90 1.02 -1.26 -0.63 119.74 124.58 1ubm s LYS 88 Ca 0.04 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.42 1ubm s LYS 88 Cb -0.14 -0.65 0.01 0.00 -0.52 0.00 0.00 37.83 36.53 1ubm s LYS 88 CO -0.05 0.16 -0.13 0.08 -0.92 0.00 0.00 175.35 174.48 1ubm s VAL 89 N -0.84 1.22 -1.51 3.17 1.01 -0.24 -4.76 120.40 118.45 1ubm s VAL 89 Ca -0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1ubm s VAL 89 Cb -0.07 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1ubm s VAL 89 CO 0.01 0.37 0.42 0.00 0.00 0.00 0.00 175.10 175.90 1ubm n ALA 90 N 3.74 -0.91 -2.13 5.51 0.00 -1.26 -0.86 120.51 124.60 1ubm n ALA 90 Ca -0.22 0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1ubm n ALA 90 Cb 0.52 -3.17 -0.03 0.00 0.00 0.00 0.00 19.45 16.77 1ubm n ALA 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ubm n ASN 91 N -2.32 -4.66 -4.59 0.00 4.05 -1.26 -5.00 115.26 101.48 1ubm n ASN 91 Ca -0.13 0.19 -0.32 0.00 0.45 0.00 0.00 54.58 54.78 1ubm n ASN 91 Cb 0.62 -4.00 -0.10 0.00 1.23 0.00 0.00 39.78 37.52 1ubm n ASN 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1ubm s HIS 92 N -2.68 2.85 0.57 1.20 0.09 -0.04 -5.07 115.29 112.21 1ubm s HIS 92 Ca 0.00 -0.07 -0.17 0.00 -0.00 0.00 0.00 55.06 54.82 1ubm s HIS 92 Cb 0.00 -1.57 -0.05 0.00 -0.00 0.00 0.00 32.58 30.97 1ubm s HIS 92 CO 0.00 0.38 1.05 0.95 -0.00 0.00 0.00 174.74 177.12 1ubm s THR 93 N -1.04 3.80 0.27 1.30 -4.23 -1.26 -1.08 115.64 113.40 1ubm s THR 93 Ca 0.18 0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 61.57 1ubm s THR 93 Cb -0.11 -3.40 0.27 0.00 1.34 0.00 0.00 72.50 70.60 1ubm s THR 93 CO 0.09 -0.45 1.91 0.24 -0.54 0.00 0.00 174.62 175.87 1ubm h MET 94 N 0.66 1.14 -0.32 3.99 2.86 -1.08 -1.13 114.93 121.05 1ubm h MET 94 Ca -0.47 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.17 1ubm h MET 94 Cb 1.22 -0.26 -0.07 0.00 0.06 0.00 0.00 31.60 32.55 1ubm h MET 94 CO 0.58 0.76 -0.13 1.25 1.06 0.00 0.00 176.91 180.43 1ubm h LEU 95 N 1.18 -0.45 -0.21 1.22 6.46 -1.83 0.12 115.31 121.81 1ubm h LEU 95 Ca 0.40 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.26 1ubm h LEU 95 Cb 0.08 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1ubm h LEU 95 CO -0.14 -0.16 0.09 -0.78 -0.62 0.00 0.00 178.44 176.83 1ubm h ASP 96 N -0.07 0.28 -0.16 1.25 3.58 -1.87 0.70 116.42 120.13 1ubm h ASP 96 Ca 0.16 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ubm h ASP 96 Cb 0.32 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1ubm h ASP 96 CO -0.37 0.35 0.08 0.40 -2.88 0.00 0.00 179.24 176.81 1ubm h ILE 97 N 0.19 1.11 -0.27 2.25 2.04 -0.94 -0.67 117.51 121.24 1ubm h ILE 97 Ca 0.07 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 1ubm h ILE 97 Cb 0.15 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1ubm h ILE 97 CO -0.01 0.11 -0.35 0.00 0.00 0.00 0.00 178.15 177.90 1ubm h SER 99 N 0.49 0.51 0.38 0.00 0.02 -0.57 0.78 113.55 115.16 1ubm h SER 99 Ca 0.05 -0.06 -0.32 0.00 -0.84 0.00 0.00 61.79 60.62 1ubm h SER 99 Cb 0.84 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1ubm h SER 99 CO 0.07 0.49 -1.57 0.03 -1.14 0.00 0.00 176.83 174.71 1ubm h ARG 100 N 0.56 0.31 0.07 3.45 3.08 -0.70 -3.39 114.38 117.76 1ubm h ARG 100 Ca 0.13 -0.53 -0.25 0.00 0.07 0.00 0.00 59.98 59.40 1ubm h ARG 100 Cb 0.16 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1ubm h ARG 100 CO -0.01 1.20 -1.35 0.82 -1.07 0.00 0.00 179.97 179.56 1ubm h ILE 101 N 0.09 0.99 -0.66 2.04 2.04 -0.97 -3.40 117.51 117.63 1ubm h ILE 101 Ca -0.27 -2.32 -0.05 0.00 1.00 0.00 0.00 64.86 63.23 1ubm h ILE 101 Cb 2.05 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 40.68 1ubm h ILE 101 CO 0.18 0.60 0.22 -0.07 0.00 0.00 0.00 178.15 179.08 1ubm h LEU 102 N -0.52 0.93 -1.80 1.44 3.38 -1.05 -0.12 115.31 117.57 1ubm h LEU 102 Ca -0.31 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1ubm h LEU 102 Cb 1.60 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1ubm h LEU 102 CO -0.03 0.86 0.00 -0.65 0.09 0.00 0.00 178.44 178.71 1ubm h PRO 103 N 0.97 0.00 0.00 1.13 0.11 -1.76 -2.14 132.00 130.32 1ubm h PRO 103 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1ubm h PRO 103 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1ubm h PRO 103 CO -0.01 0.00 -0.53 1.63 -0.21 0.00 0.00 178.00 178.88 1ubm n LYS 104 N -2.46 0.10 -2.17 1.05 5.02 -0.06 -4.93 118.16 114.70 1ubm n LYS 104 Ca -0.02 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 1ubm n LYS 104 Cb 0.05 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1ubm n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ubm s ALA 105 N -3.06 2.70 0.17 7.82 0.00 -0.81 -4.77 121.76 123.81 1ubm s ALA 105 Ca 0.09 0.62 0.16 0.00 0.00 0.00 0.00 51.96 52.84 1ubm s ALA 105 Cb 0.16 -3.30 0.53 0.00 0.00 0.00 0.00 23.12 20.51 1ubm s ALA 105 CO 0.70 -0.78 1.67 1.96 0.00 0.00 0.00 175.76 179.31 1ubm h GLN 106 N 0.87 0.00 -2.28 0.00 1.08 -0.94 -3.46 115.11 110.38 1ubm h GLN 106 Ca -0.49 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.64 1ubm h GLN 106 Cb 1.24 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.47 1ubm h GLN 106 CO 0.57 0.47 0.05 0.00 -0.95 0.00 0.00 178.83 178.96 1ubm s ALA 107 N -3.53 -1.50 -0.08 3.87 0.00 -1.26 -5.05 121.76 114.21 1ubm s ALA 107 Ca 0.00 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.17 1ubm s ALA 107 Cb 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1ubm s ALA 107 CO 0.71 -0.33 -0.16 0.08 0.00 0.00 0.00 175.76 176.06 1ubm s VAL 108 N -0.91 1.45 -0.17 0.00 1.01 -1.26 -1.16 120.40 119.36 1ubm s VAL 108 Ca -0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1ubm s VAL 108 Cb -0.02 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 1ubm s VAL 108 CO 0.07 0.43 -0.13 -0.63 0.00 0.00 0.00 175.10 174.83 1ubm s ILE 109 N 0.61 2.76 -0.35 2.22 1.01 0.10 -0.85 121.20 126.70 1ubm s ILE 109 Ca -0.15 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 1ubm s ILE 109 Cb -0.16 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1ubm s ILE 109 CO 0.05 0.50 0.46 0.00 0.00 0.00 0.00 174.94 175.94 1ubm s ALA 110 N 1.02 3.49 -0.26 9.38 0.00 0.64 -0.27 121.76 135.75 1ubm s ALA 110 Ca -0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1ubm s ALA 110 Cb -0.15 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1ubm s ALA 110 CO -0.03 -1.16 0.01 -0.47 0.00 0.00 0.00 175.76 174.11 1ubm s TYR 111 N 2.25 3.08 0.00 0.00 5.04 0.20 -1.00 117.35 126.92 1ubm s TYR 111 Ca 0.16 -1.14 0.00 0.00 -2.44 0.00 0.00 57.07 53.65 1ubm s TYR 111 Cb -0.16 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 40.00 1ubm s TYR 111 CO 0.13 -0.61 0.00 0.41 -1.34 0.00 0.00 175.55 174.13 1ubm n GLY 112 N 4.79 1.88 0.31 8.97 0.00 0.29 -4.35 105.19 117.08 1ubm n GLY 112 Ca -0.16 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.23 1ubm n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ubm h THR 113 N 0.00 0.90 0.13 2.61 2.02 -1.10 0.15 112.91 117.62 1ubm h THR 113 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1ubm h THR 113 Cb 0.00 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1ubm h THR 113 CO 0.00 0.01 -0.06 0.00 0.37 0.00 0.00 175.52 175.84 1ubm h ALA 115 N 0.60 0.79 -0.03 0.00 0.00 -1.29 0.01 119.26 119.34 1ubm h ALA 115 Ca -0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 1ubm h ALA 115 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ubm h ALA 115 CO 0.03 0.78 -0.35 1.79 0.00 0.00 0.00 179.25 181.50 1ubm h THR 116 N 0.13 1.47 0.00 0.00 1.35 -0.69 0.13 112.91 115.31 1ubm h THR 116 Ca -0.01 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1ubm h THR 116 Cb 1.20 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 1ubm h THR 116 CO 0.10 0.53 0.00 0.49 -0.25 0.00 0.00 175.52 176.39 1ubm n PHE 117 N -4.42 0.00 0.00 4.73 3.72 0.20 -4.31 117.46 117.38 1ubm n PHE 117 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1ubm n PHE 117 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1ubm n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubm n GLY 118 N 0.19 3.13 7.00 1.37 0.00 -0.01 -4.22 105.19 112.64 1ubm n GLY 118 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ubm n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubm n GLY 119 N 0.00 0.71 0.34 -0.02 0.00 -1.18 -3.58 105.19 101.46 1ubm n GLY 119 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 1ubm n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ubm h VAL 120 N 0.00 1.26 0.00 1.61 3.04 -1.94 0.14 116.25 120.36 1ubm h VAL 120 Ca 0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1ubm h VAL 120 Cb 0.00 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1ubm h VAL 120 CO 0.00 0.34 0.00 0.00 -1.01 0.00 0.00 177.57 176.90 1ubm n GLN 121 N -4.28 0.18 0.00 4.17 0.00 -1.26 -2.23 117.38 113.96 1ubm n GLN 121 Ca 0.07 0.31 0.13 0.00 0.00 0.00 0.00 57.00 57.51 1ubm n GLN 121 Cb 0.19 -1.78 0.48 0.00 0.00 0.00 0.00 30.24 29.14 1ubm n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ubm n ALA 122 N -1.73 2.94 -1.66 2.61 0.00 0.47 -4.48 120.51 118.67 1ubm n ALA 122 Ca 0.04 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.80 1ubm n ALA 122 Cb 0.29 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1ubm n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubm s ALA 123 N -2.56 2.42 0.25 0.00 0.00 -0.95 -4.39 121.76 116.54 1ubm s ALA 123 Ca 0.25 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 1ubm s ALA 123 Cb 0.19 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 1ubm s ALA 123 CO 0.52 -1.39 1.18 1.63 0.00 0.00 0.00 175.76 177.69 1ubm n LYS 124 N -1.91 1.54 -0.66 0.00 5.02 -1.26 -0.08 118.16 120.81 1ubm n LYS 124 Ca 0.14 0.55 0.01 0.00 -2.02 0.00 0.00 58.31 56.98 1ubm n LYS 124 Cb 0.50 -2.04 0.25 0.00 -0.02 0.00 0.00 35.03 33.71 1ubm n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ubm n PRO 125 N 1.30 3.31 -3.74 1.97 -0.04 -1.26 -4.98 135.00 131.56 1ubm n PRO 125 Ca 0.11 -2.13 -0.28 0.00 -0.04 0.00 0.00 63.50 61.16 1ubm n PRO 125 Cb 0.30 -1.98 0.01 0.00 -0.04 0.00 0.00 33.50 31.79 1ubm n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ubm n ASN 126 N 0.22 -5.18 0.27 3.54 4.05 0.88 -4.85 115.26 114.19 1ubm n ASN 126 Ca 0.23 -0.94 0.13 0.00 0.45 0.00 0.00 54.58 54.45 1ubm n ASN 126 Cb 0.98 -2.52 0.79 0.00 1.23 0.00 0.00 39.78 40.26 1ubm n ASN 126 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ubm h PRO 127 N -1.10 0.00 -0.59 1.20 0.13 -1.83 -2.62 132.00 127.20 1ubm h PRO 127 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1ubm h PRO 127 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ubm h PRO 127 CO 0.42 0.07 0.00 0.25 -0.23 0.00 0.00 178.00 178.51 1ubm n THR 128 N -3.85 0.83 -3.05 1.56 -2.24 -1.26 -4.90 114.28 101.37 1ubm n THR 128 Ca -0.02 -0.91 -0.21 0.00 -2.27 0.00 0.00 64.05 60.64 1ubm n THR 128 Cb 0.16 0.67 0.01 0.00 -2.10 0.00 0.00 70.33 69.07 1ubm n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubm n GLY 129 N 1.50 -0.50 3.59 3.38 0.00 -0.99 -1.41 105.19 110.77 1ubm n GLY 129 Ca 0.22 0.08 -0.53 0.00 0.00 0.00 0.00 46.02 45.78 1ubm n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubm n ALA 130 N -3.22 -1.22 -2.67 4.61 0.00 -1.25 -1.53 120.51 115.22 1ubm n ALA 130 Ca -0.08 0.52 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 1ubm n ALA 130 Cb 0.58 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.87 1ubm n ALA 130 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ubm s LYS 131 N 0.64 0.74 0.94 0.00 1.02 -0.41 -4.66 119.74 118.02 1ubm s LYS 131 Ca 0.86 -0.97 -0.11 0.00 0.02 0.00 0.00 55.97 55.78 1ubm s LYS 131 Cb -1.00 -0.56 0.16 0.00 -0.52 0.00 0.00 37.83 35.91 1ubm s LYS 131 CO 0.49 0.11 1.12 0.20 -0.92 0.00 0.00 175.35 176.35 1ubm s GLY 132 N -1.94 1.66 0.09 -3.33 0.00 -1.26 -0.44 107.32 102.10 1ubm s GLY 132 Ca -0.02 0.39 -0.22 0.00 0.00 0.00 0.00 44.72 44.87 1ubm s GLY 132 CO 0.01 0.86 1.71 -2.08 0.00 0.00 0.00 173.10 173.60 1ubm h VAL 133 N -1.91 1.06 -0.37 1.40 2.07 -0.92 -0.32 116.25 117.26 1ubm h VAL 133 Ca -0.47 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 1ubm h VAL 133 Cb 1.28 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1ubm h VAL 133 CO 0.45 0.05 -0.09 0.78 0.02 0.00 0.00 177.57 178.78 1ubm h ASN 134 N 0.08 0.62 -0.08 0.57 2.35 -1.81 -0.70 115.58 116.60 1ubm h ASN 134 Ca 0.03 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1ubm h ASN 134 Cb 0.04 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1ubm h ASN 134 CO -0.01 0.76 0.03 -0.78 -1.65 0.00 0.00 177.43 175.78 1ubm h ASP 135 N 0.59 0.12 -0.80 5.81 3.58 -1.82 -1.91 116.42 121.99 1ubm h ASP 135 Ca 0.11 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1ubm h ASP 135 Cb 0.51 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 1ubm h ASP 135 CO 0.03 0.28 0.47 0.00 -2.88 0.00 0.00 179.24 177.14 1ubm h ALA 136 N 0.85 1.32 -0.11 -0.78 0.00 -0.78 -3.25 119.26 116.51 1ubm h ALA 136 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ubm h ALA 136 Cb 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ubm h ALA 136 CO -0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1ubm n LEU 137 N -4.37 3.01 -0.25 0.00 4.77 -0.29 -4.68 117.00 115.19 1ubm n LEU 137 Ca 0.09 -3.04 0.05 0.00 -0.03 0.00 0.00 56.01 53.08 1ubm n LEU 137 Cb 0.07 -0.47 0.17 0.00 -2.33 0.00 0.00 43.42 40.85 1ubm n LEU 137 CO 0.38 0.69 0.87 0.50 -1.33 0.00 0.00 177.39 178.50 1ubm h LYS 138 N 0.79 0.16 0.00 3.23 3.64 -1.38 0.03 116.57 123.04 1ubm h LYS 138 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ubm h LYS 138 Cb 1.19 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1ubm h LYS 138 CO 0.10 0.11 0.00 1.12 -2.27 0.00 0.00 179.45 178.50 1ubm h HIS 139 N 0.16 0.00 -0.44 1.91 2.07 -1.87 -0.54 115.15 116.44 1ubm h HIS 139 Ca 0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 1ubm h HIS 139 Cb 0.72 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.70 1ubm h HIS 139 CO -0.35 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 175.79 1ubm n LEU 140 N -2.65 3.51 0.00 6.12 4.77 -0.01 -4.95 117.00 123.78 1ubm n LEU 140 Ca 0.00 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 1ubm n LEU 140 Cb 0.18 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1ubm n LEU 140 CO 0.20 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1ubm n GLY 141 N 1.46 0.68 3.70 -0.72 0.00 -0.21 -4.91 105.19 105.20 1ubm n GLY 141 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1ubm n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubm s VAL 142 N -2.14 4.28 -0.44 1.61 1.01 -1.22 -4.98 120.40 118.51 1ubm s VAL 142 Ca 0.00 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.63 1ubm s VAL 142 Cb 0.00 -4.04 0.14 0.00 0.00 0.00 0.00 36.38 32.48 1ubm s VAL 142 CO 0.00 0.08 0.26 -0.54 0.00 0.00 0.00 175.10 174.91 1ubm s LYS 143 N 1.42 1.22 0.30 2.72 1.02 -1.26 -4.62 119.74 120.54 1ubm s LYS 143 Ca 0.56 -2.01 -0.28 0.00 0.02 0.00 0.00 55.97 54.27 1ubm s LYS 143 Cb -0.26 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 34.79 1ubm s LYS 143 CO 0.26 -1.20 1.00 0.00 -0.92 0.00 0.00 175.35 174.50 1ubm s ALA 144 N 0.31 3.27 0.07 5.17 0.00 -1.26 -4.69 121.76 124.63 1ubm s ALA 144 Ca 0.20 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 1ubm s ALA 144 Cb -0.20 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 1ubm s ALA 144 CO -0.03 0.03 1.50 0.42 0.00 0.00 0.00 175.76 177.68 1ubm s ILE 145 N -1.39 3.25 -0.29 0.00 1.01 -0.03 -4.79 121.20 118.96 1ubm s ILE 145 Ca 0.48 0.77 -0.14 0.00 0.00 0.00 0.00 60.65 61.76 1ubm s ILE 145 Cb -0.25 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1ubm s ILE 145 CO 0.31 0.02 0.31 0.20 0.00 0.00 0.00 174.94 175.78 1ubm s ASN 146 N 1.75 6.16 -0.47 3.58 0.01 -0.08 -0.26 114.94 125.62 1ubm s ASN 146 Ca 0.68 0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.88 1ubm s ASN 146 Cb -0.37 -2.18 0.12 0.00 0.41 0.00 0.00 41.25 39.24 1ubm s ASN 146 CO 0.30 -0.17 0.27 -0.63 -1.51 0.00 0.00 177.10 175.36 1ubm s ILE 147 N 1.96 3.44 0.54 0.60 1.01 -0.17 -3.93 121.20 124.64 1ubm s ILE 147 Ca 0.12 -2.29 -0.04 0.00 0.00 0.00 0.00 60.65 58.44 1ubm s ILE 147 Cb -0.16 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 1ubm s ILE 147 CO 0.11 -0.75 0.82 0.00 0.00 0.00 0.00 174.94 175.12 1ubm s ALA 148 N 0.83 3.43 0.00 9.38 0.00 -1.26 -0.55 121.76 133.59 1ubm s ALA 148 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1ubm s ALA 148 Cb -0.22 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1ubm s ALA 148 CO -0.04 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1ubm n GLY 149 N -2.40 3.57 2.25 0.00 0.00 -1.24 -4.34 105.19 103.03 1ubm n GLY 149 Ca 0.03 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 1ubm n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubm s PRO 151 N -1.50 2.64 0.96 0.00 0.04 -1.26 -5.07 135.00 130.81 1ubm s PRO 151 Ca 0.36 -0.56 -0.12 0.00 0.04 0.00 0.00 61.00 60.72 1ubm s PRO 151 Cb 0.17 -2.44 0.17 0.00 0.04 0.00 0.00 34.50 32.44 1ubm s PRO 151 CO -0.09 -0.69 1.09 -2.14 0.04 0.00 0.00 177.00 175.21 1ubm s PRO 152 N -4.81 0.71 -0.04 0.56 0.02 -1.16 -4.97 135.00 125.31 1ubm s PRO 152 Ca 0.55 0.67 -0.30 0.00 0.02 0.00 0.00 61.00 61.94 1ubm s PRO 152 Cb -0.10 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 1ubm s PRO 152 CO 0.40 -2.58 1.43 1.21 -0.33 0.00 0.00 177.00 177.13 1ubm s ASN 153 N -3.39 6.83 0.57 2.53 3.84 -1.26 -4.89 114.94 119.17 1ubm s ASN 153 Ca 0.65 2.07 0.33 0.00 0.21 0.00 0.00 52.86 56.11 1ubm s ASN 153 Cb -0.19 -2.55 1.73 0.00 -0.55 0.00 0.00 41.25 39.69 1ubm s ASN 153 CO 0.58 -0.77 2.16 1.55 -2.79 0.00 0.00 177.10 177.83 1ubm h PRO 154 N 8.23 0.00 -0.96 0.43 0.13 -1.94 0.10 132.00 137.99 1ubm h PRO 154 Ca -0.36 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.97 1ubm h PRO 154 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1ubm h PRO 154 CO 0.92 0.06 0.61 -0.92 -0.23 0.00 0.00 178.00 178.44 1ubm h TYR 155 N 0.00 0.80 -0.09 1.56 3.20 -1.93 -1.79 116.97 118.73 1ubm h TYR 155 Ca -0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1ubm h TYR 155 Cb 0.22 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1ubm h TYR 155 CO 0.00 0.19 -0.55 -0.91 -1.64 0.00 0.00 178.16 175.26 1ubm h ASN 156 N 0.59 0.28 0.02 -2.11 2.35 -1.18 -1.09 115.58 114.45 1ubm h ASN 156 Ca 0.53 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1ubm h ASN 156 Cb 1.05 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1ubm h ASN 156 CO -0.28 0.77 -0.01 0.25 -1.65 0.00 0.00 177.43 176.51 1ubm h LEU 157 N 0.19 -0.03 -0.71 1.61 5.85 -1.43 -2.24 115.31 118.55 1ubm h LEU 157 Ca 0.00 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1ubm h LEU 157 Cb 1.02 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1ubm h LEU 157 CO 0.09 0.45 0.40 0.58 -0.34 0.00 0.00 178.44 179.61 1ubm h VAL 158 N -0.52 1.22 -0.77 1.05 2.07 -1.38 0.26 116.25 118.18 1ubm h VAL 158 Ca -0.00 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1ubm h VAL 158 Cb 0.49 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1ubm h VAL 158 CO 0.01 0.24 0.50 1.23 0.02 0.00 0.00 177.57 179.57 1ubm h GLY 159 N 0.98 1.08 0.86 2.17 0.00 -1.23 0.50 103.07 107.43 1ubm h GLY 159 Ca 0.25 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1ubm h GLY 159 CO -0.04 0.40 -0.31 -0.84 0.00 0.00 0.00 176.54 175.75 1ubm h THR 160 N 1.04 1.34 -0.34 4.70 2.02 -0.86 -1.76 112.91 119.05 1ubm h THR 160 Ca 0.28 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 1ubm h THR 160 Cb -0.12 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1ubm h THR 160 CO -0.06 0.47 0.12 0.40 0.37 0.00 0.00 175.52 176.82 1ubm h ILE 161 N 0.19 1.19 -0.75 3.11 2.04 -0.57 -1.50 117.51 121.23 1ubm h ILE 161 Ca 0.01 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1ubm h ILE 161 Cb 0.89 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1ubm h ILE 161 CO 0.07 0.21 0.49 0.58 0.00 0.00 0.00 178.15 179.50 1ubm h VAL 162 N 0.40 1.16 -0.15 1.67 2.07 -0.93 0.59 116.25 121.06 1ubm h VAL 162 Ca 0.11 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1ubm h VAL 162 Cb 0.21 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1ubm h VAL 162 CO -0.01 0.18 -0.10 0.22 0.02 0.00 0.00 177.57 177.88 1ubm h TYR 163 N 0.98 -0.24 -0.83 1.57 5.03 -1.13 -0.39 116.97 121.96 1ubm h TYR 163 Ca 0.28 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.63 1ubm h TYR 163 Cb -0.07 0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.29 1ubm h TYR 163 CO -0.03 -0.15 0.54 -0.92 -1.32 0.00 0.00 178.16 176.28 1ubm h TYR 164 N -0.10 1.02 -0.25 -3.82 3.20 -0.36 0.23 116.97 116.90 1ubm h TYR 164 Ca 0.09 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1ubm h TYR 164 Cb 0.23 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1ubm h TYR 164 CO -0.23 0.62 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.49 1ubm h LEU 165 N 1.08 0.56 -0.14 2.82 3.38 -0.52 0.70 115.31 123.19 1ubm h LEU 165 Ca 0.32 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1ubm h LEU 165 Cb -0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1ubm h LEU 165 CO -0.09 0.86 -0.35 0.50 0.09 0.00 0.00 178.44 179.45 1ubm h LYS 166 N 0.46 0.49 -0.01 1.13 3.64 -0.49 -3.37 116.57 118.41 1ubm h LYS 166 Ca 0.05 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1ubm h LYS 166 Cb 0.81 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1ubm h LYS 166 CO 0.07 0.95 -0.50 0.09 -2.27 0.00 0.00 179.45 177.78 1ubm n ASN 167 N -4.34 1.48 -2.98 4.20 3.02 0.76 -4.97 115.26 112.43 1ubm n ASN 167 Ca -0.07 -1.24 -0.21 0.00 -0.03 0.00 0.00 54.58 53.04 1ubm n ASN 167 Cb 0.51 0.63 0.01 0.00 -0.61 0.00 0.00 39.78 40.31 1ubm n ASN 167 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ubm n LYS 168 N -0.47 -3.55 -3.46 3.52 4.01 0.24 -4.93 118.16 113.52 1ubm n LYS 168 Ca 0.06 0.70 -0.13 0.00 -0.51 0.00 0.00 58.31 58.43 1ubm n LYS 168 Cb 0.35 -5.44 -0.03 0.00 -0.51 0.00 0.00 35.03 29.40 1ubm n LYS 168 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ubm s ALA 169 N -2.97 -1.67 0.62 7.82 0.00 -1.23 -5.07 121.76 119.26 1ubm s ALA 169 Ca 0.25 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 1ubm s ALA 169 Cb -0.12 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1ubm s ALA 169 CO 0.31 -0.67 1.10 0.00 0.00 0.00 0.00 175.76 176.51 1ubm s ALA 170 N -3.08 2.57 1.02 0.00 0.00 -1.26 -4.06 121.76 116.95 1ubm s ALA 170 Ca -0.01 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 1ubm s ALA 170 Cb -0.01 -3.31 0.20 0.00 0.00 0.00 0.00 23.12 20.00 1ubm s ALA 170 CO -0.08 -1.08 1.13 -1.25 0.00 0.00 0.00 175.76 174.49 1ubm s PRO 171 N -3.92 0.25 0.28 0.00 0.04 -1.26 -4.96 135.00 125.42 1ubm s PRO 171 Ca 0.67 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1ubm s PRO 171 Cb -0.20 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 1ubm s PRO 171 CO 0.37 -2.78 1.54 -1.91 0.04 0.00 0.00 177.00 174.26 1ubm n GLU 172 N -4.16 2.51 -4.94 4.56 2.13 -1.26 -4.91 120.64 114.57 1ubm n GLU 172 Ca 0.08 0.89 -0.31 0.00 0.66 0.00 0.00 57.16 58.49 1ubm n GLU 172 Cb 0.59 -2.64 -0.14 0.00 0.27 0.00 0.00 31.44 29.51 1ubm n GLU 172 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ubm s LEU 173 N -0.30 2.25 0.00 4.31 1.02 -1.26 -0.93 118.68 123.77 1ubm s LEU 173 Ca 0.65 -0.52 -0.05 0.00 0.02 0.00 0.00 54.13 54.24 1ubm s LEU 173 Cb -0.54 -1.35 0.08 0.00 0.02 0.00 0.00 46.19 44.40 1ubm s LEU 173 CO 0.49 0.27 0.51 -0.90 0.02 0.00 0.00 176.35 176.75 1ubm n ASP 174 N 1.89 0.23 0.05 2.29 5.68 0.72 -4.84 116.55 122.56 1ubm n ASP 174 Ca -0.17 -1.30 0.09 0.00 -0.50 0.00 0.00 54.79 52.92 1ubm n ASP 174 Cb 0.52 -0.38 0.40 0.00 -1.14 0.00 0.00 41.12 40.52 1ubm n ASP 174 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ubm n SER 175 N -3.22 0.29 -1.37 -1.12 3.41 -1.26 -0.56 113.62 109.79 1ubm n SER 175 Ca 0.07 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 1ubm n SER 175 Cb 0.25 -0.63 0.32 0.00 -0.26 0.00 0.00 64.21 63.88 1ubm n SER 175 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ubm n LEU 176 N -1.82 4.28 -1.03 1.04 4.32 -1.26 -4.95 117.00 117.58 1ubm n LEU 176 Ca 0.03 -2.30 -0.10 0.00 -0.02 0.00 0.00 56.01 53.62 1ubm n LEU 176 Cb 0.21 -0.51 -0.02 0.00 -1.62 0.00 0.00 43.42 41.48 1ubm n LEU 176 CO 0.17 0.85 -0.12 -3.20 -1.22 0.00 0.00 177.39 173.87 1ubm n ASN 177 N 1.10 -3.72 -4.86 -1.43 5.15 0.28 -4.65 115.26 107.12 1ubm n ASN 177 Ca 0.23 0.09 -0.37 0.00 -0.60 0.00 0.00 54.58 53.93 1ubm n ASN 177 Cb 0.76 -2.67 -0.06 0.00 -0.53 0.00 0.00 39.78 37.29 1ubm n ASN 177 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1ubm s ARG 178 N -3.91 3.69 0.08 1.20 0.52 -1.25 -0.91 118.95 118.37 1ubm s ARG 178 Ca 0.00 0.15 -0.31 0.00 -0.52 0.00 0.00 55.73 55.05 1ubm s ARG 178 Cb 0.00 -3.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.18 1ubm s ARG 178 CO 0.00 0.72 1.88 -2.30 0.02 0.00 0.00 175.30 175.62 1ubm n PRO 179 N 1.79 2.74 0.31 3.54 -0.02 -1.26 -0.20 135.00 141.90 1ubm n PRO 179 Ca -0.16 1.00 0.18 0.00 -2.02 0.00 0.00 63.50 62.50 1ubm n PRO 179 Cb 0.53 -2.90 0.99 0.00 -0.02 0.00 0.00 33.50 32.10 1ubm n PRO 179 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ubm h THR 180 N 4.99 0.31 0.00 3.45 1.35 -1.36 -0.51 112.91 121.14 1ubm h THR 180 Ca -0.48 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1ubm h THR 180 Cb 1.23 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1ubm h THR 180 CO 0.94 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 176.23 1ubm h MET 181 N 0.00 0.00 0.00 4.72 -0.00 -1.89 -2.18 114.93 115.58 1ubm h MET 181 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 1ubm h MET 181 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 1ubm h MET 181 CO 0.00 0.00 -1.30 1.19 -0.00 0.00 0.00 176.91 176.80 1ubm n PHE 182 N -2.99 0.00 -1.02 -0.10 3.72 -0.67 -4.76 117.46 111.63 1ubm n PHE 182 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.50 1ubm n PHE 182 Cb 0.28 -0.20 0.23 0.00 -0.94 0.00 0.00 39.48 38.85 1ubm n PHE 182 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ubm n PHE 183 N -2.00 0.68 0.55 1.38 3.72 -0.29 -3.49 117.46 118.02 1ubm n PHE 183 Ca -0.05 -0.91 0.13 0.00 -0.05 0.00 0.00 57.45 56.56 1ubm n PHE 183 Cb 0.47 -0.27 0.42 0.00 -0.94 0.00 0.00 39.48 39.16 1ubm n PHE 183 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1ubm h GLY 184 N 1.30 0.00 -4.22 1.37 0.00 -1.60 -3.42 103.07 96.50 1ubm h GLY 184 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1ubm h GLY 184 CO 0.16 0.00 -0.85 1.20 0.00 0.00 0.00 176.54 177.06 1ubm s GLN 185 N -3.17 1.33 0.68 4.80 -0.21 -1.26 -5.08 119.66 116.76 1ubm s GLN 185 Ca 0.09 -1.14 -0.14 0.00 0.02 0.00 0.00 55.36 54.19 1ubm s GLN 185 Cb 0.11 -1.60 0.01 0.00 1.00 0.00 0.00 33.01 32.53 1ubm s GLN 185 CO 0.55 0.39 1.11 0.95 -2.12 0.00 0.00 175.29 176.17 1ubm s THR 186 N -1.00 3.28 0.25 -0.19 -4.23 -1.26 -2.83 115.64 109.66 1ubm s THR 186 Ca 0.09 0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 1ubm s THR 186 Cb -0.10 -3.08 0.22 0.00 1.34 0.00 0.00 72.50 70.89 1ubm s THR 186 CO 0.04 -0.40 1.79 0.58 -0.54 0.00 0.00 174.62 176.08 1ubm h VAL 187 N -0.17 0.83 -0.69 2.29 2.07 -0.64 -2.93 116.25 117.01 1ubm h VAL 187 Ca -0.46 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1ubm h VAL 187 Cb 1.24 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1ubm h VAL 187 CO 0.54 0.13 0.29 -0.74 0.02 0.00 0.00 177.57 177.80 1ubm h HIS 188 N 0.71 1.03 0.00 1.57 -0.00 -1.72 -2.12 115.15 114.62 1ubm h HIS 188 Ca 0.42 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 1ubm h HIS 188 Cb 0.49 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1ubm h HIS 188 CO -0.08 0.79 0.00 1.05 -0.00 0.00 0.00 177.93 179.70 1ubm h GLU 189 N 0.97 0.00 -0.09 5.26 4.11 -1.81 -2.26 114.58 120.76 1ubm h GLU 189 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1ubm h GLU 189 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ubm h GLU 189 CO -0.02 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.10 1ubm n GLN 190 N -2.47 2.33 -3.03 1.06 6.02 -0.82 -5.01 117.38 115.46 1ubm n GLN 190 Ca 0.01 -1.94 -0.40 0.00 -0.01 0.00 0.00 57.00 54.67 1ubm n GLN 190 Cb 0.22 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.96 1ubm n GLN 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ubm h PRO 192 N 5.41 0.00 -0.06 0.00 0.11 -1.92 -2.30 132.00 133.24 1ubm h PRO 192 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ubm h PRO 192 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ubm h PRO 192 CO 0.70 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.03 1ubm n ARG 193 N -2.89 1.54 -0.30 1.05 1.74 -1.26 -4.34 116.66 112.20 1ubm n ARG 193 Ca -0.00 -0.80 0.13 0.00 -0.77 0.00 0.00 57.85 56.41 1ubm n ARG 193 Cb 0.20 -1.44 0.38 0.00 -1.02 0.00 0.00 32.46 30.58 1ubm n ARG 193 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ubm h LEU 194 N 1.82 0.66 -1.32 0.55 5.85 -1.71 0.11 115.31 121.27 1ubm h LEU 194 Ca 0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1ubm h LEU 194 Cb 0.39 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1ubm h LEU 194 CO 0.00 0.29 0.49 -0.65 -0.34 0.00 0.00 178.44 178.23 1ubm h PRO 195 N 0.68 0.84 -0.42 5.25 0.11 -1.85 0.65 132.00 137.26 1ubm h PRO 195 Ca 0.50 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.47 1ubm h PRO 195 Cb 0.86 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1ubm h PRO 195 CO -0.25 0.56 -0.08 0.45 -0.21 0.00 0.00 178.00 178.47 1ubm h HIS 196 N 0.87 0.89 -0.43 0.65 3.86 -1.31 -1.55 115.15 118.13 1ubm h HIS 196 Ca 0.30 -0.18 0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1ubm h HIS 196 Cb 0.12 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 1ubm h HIS 196 CO -0.00 0.90 0.11 0.35 0.86 0.00 0.00 177.93 180.15 1ubm h PHE 197 N 0.62 0.19 0.00 2.45 3.04 -0.79 0.26 116.94 122.72 1ubm h PHE 197 Ca 0.11 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 1ubm h PHE 197 Cb 0.60 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1ubm h PHE 197 CO 0.05 0.04 -0.12 -0.44 -2.02 0.00 0.00 178.31 175.82 1ubm h ASP 198 N 0.25 0.00 -0.01 0.41 3.32 -0.67 -0.80 116.42 118.92 1ubm h ASP 198 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1ubm h ASP 198 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1ubm h ASP 198 CO -0.25 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.39 1ubm n ALA 199 N -2.50 2.59 -1.72 3.45 0.00 -0.34 -4.90 120.51 117.08 1ubm n ALA 199 Ca -0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 1ubm n ALA 199 Cb 0.19 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1ubm n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubm n GLY 200 N 1.16 0.64 3.38 0.00 0.00 -0.31 -4.97 105.19 105.10 1ubm n GLY 200 Ca 0.19 -0.47 -0.45 0.00 0.00 0.00 0.00 46.02 45.29 1ubm n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubm s GLU 201 N -3.66 3.29 -0.06 1.61 2.02 0.78 -5.01 118.70 117.67 1ubm s GLU 201 Ca 0.00 -1.67 0.02 0.00 0.02 0.00 0.00 54.97 53.34 1ubm s GLU 201 Cb 0.00 -4.44 -0.03 0.00 0.10 0.00 0.00 34.13 29.76 1ubm s GLU 201 CO 0.00 -1.53 -0.11 -0.06 0.02 0.00 0.00 175.26 173.58 1ubm s PHE 202 N 2.11 2.81 0.05 1.61 0.08 -1.26 -1.84 117.98 121.54 1ubm s PHE 202 Ca 0.17 -0.09 -0.31 0.00 0.12 0.00 0.00 56.93 56.82 1ubm s PHE 202 Cb -0.17 -1.67 -0.06 0.00 -0.57 0.00 0.00 43.02 40.54 1ubm s PHE 202 CO -0.01 0.24 1.35 0.00 -0.10 0.00 0.00 175.22 176.70 1ubm s ALA 203 N -0.72 3.54 -0.61 5.36 0.00 -0.13 -4.87 121.76 124.32 1ubm s ALA 203 Ca 0.11 0.94 0.25 0.00 0.00 0.00 0.00 51.96 53.26 1ubm s ALA 203 Cb -0.11 -3.54 0.60 0.00 0.00 0.00 0.00 23.12 20.06 1ubm s ALA 203 CO 0.01 -0.71 1.68 -1.00 0.00 0.00 0.00 175.76 175.74 1ubm h PRO 204 N 7.27 0.00 -2.67 0.00 0.13 -1.96 -3.40 132.00 131.37 1ubm h PRO 204 Ca -0.40 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1ubm h PRO 204 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1ubm h PRO 204 CO 0.87 0.00 0.35 -1.54 -0.23 0.00 0.00 178.00 177.45 1ubm s SER 205 N -5.16 -0.26 0.29 1.44 1.04 -1.26 -4.96 113.70 104.84 1ubm s SER 205 Ca 0.09 -0.43 0.14 0.00 0.48 0.00 0.00 55.95 56.23 1ubm s SER 205 Cb 0.10 0.59 0.35 0.00 0.10 0.00 0.00 66.02 67.16 1ubm s SER 205 CO 0.63 -1.08 1.58 -0.26 0.98 0.00 0.00 173.24 175.09 1ubm h PHE 206 N 2.00 0.00 0.00 5.02 0.04 -1.98 -3.10 116.94 118.92 1ubm h PHE 206 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1ubm h PHE 206 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1ubm h PHE 206 CO 0.38 0.55 0.00 -0.85 -0.60 0.00 0.00 178.31 177.79 1ubm n GLU 207 N -3.50 0.21 -1.51 1.51 0.00 -1.26 -4.70 120.64 111.39 1ubm n GLU 207 Ca 0.00 0.21 -0.33 0.00 0.00 0.00 0.00 57.16 57.05 1ubm n GLU 207 Cb 0.65 -1.77 0.07 0.00 0.00 0.00 0.00 31.44 30.39 1ubm n GLU 207 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1ubm s SER 208 N -4.26 4.67 0.39 -1.84 1.04 -1.17 -4.89 113.70 107.64 1ubm s SER 208 Ca 0.10 2.02 0.16 0.00 0.48 0.00 0.00 55.95 58.72 1ubm s SER 208 Cb 0.13 -2.55 0.79 0.00 0.10 0.00 0.00 66.02 64.49 1ubm s SER 208 CO 0.55 -1.93 1.82 -0.33 0.98 0.00 0.00 173.24 174.34 1ubm h GLU 209 N -0.44 0.00 -0.65 4.02 4.39 -1.91 -1.87 114.58 118.12 1ubm h GLU 209 Ca -0.46 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.27 1ubm h GLU 209 Cb 1.25 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 1ubm h GLU 209 CO 0.52 0.35 0.41 0.93 -1.16 0.00 0.00 179.01 180.06 1ubm h GLU 210 N 0.00 0.79 -0.52 2.33 3.07 -1.91 -1.41 114.58 116.94 1ubm h GLU 210 Ca -0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1ubm h GLU 210 Cb 0.70 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1ubm h GLU 210 CO 0.05 0.53 0.27 0.00 -1.40 0.00 0.00 179.01 178.45 1ubm h ALA 211 N 1.27 0.67 -0.93 3.43 0.00 -1.63 -1.59 119.26 120.47 1ubm h ALA 211 Ca 0.26 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1ubm h ALA 211 Cb -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1ubm h ALA 211 CO -0.09 0.21 0.60 -0.09 0.00 0.00 0.00 179.25 179.88 1ubm h ARG 212 N 0.69 0.92 -0.04 0.00 2.43 -0.89 -0.46 114.38 117.03 1ubm h ARG 212 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1ubm h ARG 212 Cb 0.08 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1ubm h ARG 212 CO -0.03 0.61 0.00 1.63 -1.51 0.00 0.00 179.97 180.67 1ubm n LYS 213 N -4.55 1.32 -1.47 0.20 5.02 -0.57 -4.91 118.16 113.19 1ubm n LYS 213 Ca 0.16 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1ubm n LYS 213 Cb 0.31 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1ubm n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubm n GLY 214 N 1.02 0.45 3.64 0.72 0.00 -0.18 -5.05 105.19 105.78 1ubm n GLY 214 Ca 0.19 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1ubm n GLY 214 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ubm s TRP 215 N -2.00 1.87 0.42 1.61 0.52 -0.63 -4.84 118.94 115.89 1ubm s TRP 215 Ca 0.00 1.32 -0.26 0.00 0.02 0.00 0.00 56.10 57.19 1ubm s TRP 215 Cb 0.00 -3.18 -0.09 0.00 -1.15 0.00 0.00 33.47 29.05 1ubm s TRP 215 CO 0.00 -2.96 1.35 0.00 0.02 0.00 0.00 176.95 175.36 1ubm n LEU 217 N 0.00 3.07 -0.27 0.00 4.77 -1.26 -0.96 117.00 122.36 1ubm n LEU 217 Ca 0.04 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 1ubm n LEU 217 Cb 0.43 -0.39 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1ubm n LEU 217 CO 0.57 0.71 1.13 0.22 -1.33 0.00 0.00 177.39 178.69 1ubm h TYR 218 N 3.17 0.80 0.00 -1.77 5.03 -1.91 -0.36 116.97 121.93 1ubm h TYR 218 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1ubm h TYR 218 Cb 0.81 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1ubm h TYR 218 CO 0.41 0.37 0.00 1.49 -1.32 0.00 0.00 178.16 179.11 1ubm h GLU 219 N 0.78 0.00 -0.60 1.82 4.81 -1.82 -0.76 114.58 118.82 1ubm h GLU 219 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1ubm h GLU 219 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ubm h GLU 219 CO -0.20 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.36 1ubm n LEU 220 N -2.73 3.39 0.00 1.64 4.32 -0.19 -4.56 117.00 118.87 1ubm n LEU 220 Ca 0.02 -1.70 0.00 0.00 -0.02 0.00 0.00 56.01 54.30 1ubm n LEU 220 Cb 0.29 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1ubm n LEU 220 CO 0.25 0.71 0.00 0.61 -1.22 0.00 0.00 177.39 177.74 1ubm n GLY 221 N 1.21 0.90 3.70 -0.72 0.00 -0.30 -4.35 105.19 105.63 1ubm n GLY 221 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 1ubm n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubm n LYS 223 N 4.35 2.32 -0.31 0.00 4.76 0.04 -4.56 118.16 124.76 1ubm n LYS 223 Ca 0.17 -2.00 0.13 0.00 -2.87 0.00 0.00 58.31 53.74 1ubm n LYS 223 Cb 0.33 -1.48 0.28 0.00 -1.84 0.00 0.00 35.03 32.32 1ubm n LYS 223 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1ubm h GLY 224 N 4.68 1.26 2.00 0.72 0.00 -1.89 -0.20 103.07 109.63 1ubm h GLY 224 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ubm h GLY 224 CO 0.00 -0.44 0.00 -2.55 0.00 0.00 0.00 176.54 173.55 1ubm h PRO 225 N 0.09 0.00 -0.02 4.80 0.11 -1.94 -2.65 132.00 132.39 1ubm h PRO 225 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1ubm h PRO 225 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ubm h PRO 225 CO -0.78 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.34 1ubm n VAL 226 N -2.70 1.54 -4.87 3.15 0.24 -0.11 -4.92 118.33 110.66 1ubm n VAL 226 Ca -0.02 -1.73 -0.28 0.00 -2.04 0.00 0.00 64.34 60.28 1ubm n VAL 226 Cb 0.10 0.07 -0.17 0.00 -1.47 0.00 0.00 33.84 32.37 1ubm n VAL 226 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ubm s THR 227 N -2.10 1.55 -0.35 3.34 2.01 -1.06 -4.98 115.64 114.04 1ubm s THR 227 Ca 0.20 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1ubm s THR 227 Cb 0.17 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1ubm s THR 227 CO 0.02 0.45 0.24 -0.04 -0.69 0.00 0.00 174.62 174.60 1ubm s MET 228 N 0.52 3.37 0.02 4.92 -1.94 -1.26 -0.27 119.30 124.67 1ubm s MET 228 Ca -0.17 -0.73 -0.29 0.00 -1.71 0.00 0.00 55.69 52.80 1ubm s MET 228 Cb -0.17 -3.81 0.10 0.00 2.01 0.00 0.00 34.83 32.96 1ubm s MET 228 CO 0.06 -0.50 1.07 1.21 -0.01 0.00 0.00 175.02 176.86 1ubm s ASN 229 N 1.70 -0.18 -0.12 3.03 3.04 -1.13 -4.77 114.94 116.52 1ubm s ASN 229 Ca 0.06 -0.19 0.15 0.00 0.04 0.00 0.00 52.86 52.92 1ubm s ASN 229 Cb -0.18 0.33 0.52 0.00 -1.54 0.00 0.00 41.25 40.38 1ubm s ASN 229 CO 0.10 -0.58 1.44 -0.46 -3.04 0.00 0.00 177.10 174.55 1ubm n ASN 230 N -0.38 3.90 -0.18 -4.21 2.04 -1.23 -3.97 115.26 111.23 1ubm n ASN 230 Ca -0.06 -2.59 -0.01 0.00 -0.44 0.00 0.00 54.58 51.48 1ubm n ASN 230 Cb 0.61 -0.47 0.08 0.00 -2.53 0.00 0.00 39.78 37.48 1ubm n ASN 230 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ubm h PRO 232 N 0.18 0.00 0.00 0.00 0.11 -1.87 0.26 132.00 130.68 1ubm h PRO 232 Ca 0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 1ubm h PRO 232 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1ubm h PRO 232 CO -0.41 0.07 -0.60 -0.22 -0.21 0.00 0.00 178.00 176.63 1ubm h LYS 233 N 0.00 0.00 0.00 1.05 3.64 -1.61 -3.40 116.57 116.25 1ubm h LYS 233 Ca -0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1ubm h LYS 233 Cb 0.41 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1ubm h LYS 233 CO 0.01 0.67 -1.49 0.82 -2.27 0.00 0.00 179.45 177.19 1ubm h ILE 234 N -1.00 1.12 -2.55 2.00 1.08 -1.42 -3.50 117.51 113.23 1ubm h ILE 234 Ca -0.14 -2.93 0.24 0.00 -0.39 0.00 0.00 64.86 61.64 1ubm h ILE 234 Cb 0.89 2.55 -0.06 0.00 -3.07 0.00 0.00 36.82 37.13 1ubm h ILE 234 CO -0.08 0.64 -0.32 0.29 -0.69 0.00 0.00 178.15 177.99 1ubm n LYS 235 N -3.14 -1.77 -5.21 2.37 5.02 0.08 -4.67 118.16 110.84 1ubm n LYS 235 Ca -0.12 1.17 -0.31 0.00 -2.02 0.00 0.00 58.31 57.03 1ubm n LYS 235 Cb 1.02 -2.16 -0.16 0.00 -0.02 0.00 0.00 35.03 33.71 1ubm n LYS 235 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ubm s PHE 236 N -1.41 2.35 -1.52 2.13 0.08 -0.10 -4.67 117.98 114.84 1ubm s PHE 236 Ca 0.00 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1ubm s PHE 236 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 1ubm s PHE 236 CO 0.00 0.00 0.00 0.09 -0.10 0.00 0.00 175.22 175.21 1ubm n ASN 237 N 2.31 -4.81 -1.73 1.36 4.13 -1.26 -0.96 115.26 114.30 1ubm n ASN 237 Ca -0.16 0.17 -0.19 0.00 1.68 0.00 0.00 54.58 56.08 1ubm n ASN 237 Cb 0.51 -4.11 -0.05 0.00 -1.54 0.00 0.00 39.78 34.59 1ubm n ASN 237 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ubm n GLN 238 N -2.71 -1.39 0.00 3.52 3.00 -1.26 -4.76 117.38 113.78 1ubm n GLN 238 Ca -0.19 1.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 1ubm n GLN 238 Cb 0.62 -5.46 0.00 0.00 0.00 0.00 0.00 30.24 25.40 1ubm n GLN 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1ubm n THR 239 N -3.09 0.00 -3.89 5.09 5.66 -0.14 -5.10 114.28 112.82 1ubm n THR 239 Ca -0.20 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.71 1ubm n THR 239 Cb 0.64 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.41 1ubm n THR 239 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ubm s ASN 240 N -0.09 -0.05 0.17 1.09 3.84 -0.94 -4.95 114.94 114.00 1ubm s ASN 240 Ca 0.00 -0.90 -0.17 0.00 0.21 0.00 0.00 52.86 51.99 1ubm s ASN 240 Cb 0.00 0.74 0.03 0.00 -0.55 0.00 0.00 41.25 41.47 1ubm s ASN 240 CO 0.00 -1.42 0.49 -1.66 -2.79 0.00 0.00 177.10 171.72 1ubm s TRP 241 N -3.36 -0.18 0.21 0.43 1.48 -1.26 -0.92 118.94 115.33 1ubm s TRP 241 Ca 0.16 -0.14 -0.16 0.00 -1.06 0.00 0.00 56.10 54.91 1ubm s TRP 241 Cb -0.04 0.36 0.22 0.00 -1.16 0.00 0.00 33.47 32.85 1ubm s TRP 241 CO 0.10 -0.83 1.60 -1.35 -4.06 0.00 0.00 176.95 172.40 1ubm h PRO 242 N 2.24 -0.07 -0.18 3.25 0.11 -1.95 -1.18 132.00 134.22 1ubm h PRO 242 Ca -0.31 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 1ubm h PRO 242 Cb 1.27 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1ubm h PRO 242 CO 0.41 -0.04 -0.31 0.28 -0.21 0.00 0.00 178.00 178.12 1ubm h VAL 243 N -0.07 1.28 0.00 3.15 2.07 -1.86 -0.80 116.25 120.02 1ubm h VAL 243 Ca 0.30 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1ubm h VAL 243 Cb 0.54 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1ubm h VAL 243 CO -0.72 0.41 0.00 0.44 0.02 0.00 0.00 177.57 177.72 1ubm h ASP 244 N 0.32 0.00 -0.48 0.57 3.32 -1.55 -0.44 116.42 118.16 1ubm h ASP 244 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ubm h ASP 244 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1ubm h ASP 244 CO 0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1ubm n ALA 245 N -1.86 2.43 -0.72 3.45 0.00 -0.39 -4.93 120.51 118.48 1ubm n ALA 245 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1ubm n ALA 245 Cb 0.27 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1ubm n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubm n GLY 246 N 1.29 0.68 3.49 0.00 0.00 -0.17 -5.05 105.19 105.42 1ubm n GLY 246 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1ubm n GLY 246 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubm s HIS 247 N -2.24 2.71 0.59 1.61 5.65 -0.69 -4.99 115.29 117.94 1ubm s HIS 247 Ca 0.00 -0.15 -0.20 0.00 0.25 0.00 0.00 55.06 54.97 1ubm s HIS 247 Cb 0.00 -1.62 -0.04 0.00 -1.18 0.00 0.00 32.58 29.74 1ubm s HIS 247 CO 0.00 0.21 1.24 -0.35 -0.65 0.00 0.00 174.74 175.19 1ubm n PRO 248 N 2.20 1.29 -1.81 2.88 -0.04 -1.26 -2.96 135.00 135.30 1ubm n PRO 248 Ca -0.17 0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 63.36 1ubm n PRO 248 Cb 0.52 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 1ubm n PRO 248 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ubm n ILE 250 N 2.40 0.53 -1.62 0.00 -5.35 -1.26 -0.78 119.36 113.28 1ubm n ILE 250 Ca 0.09 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1ubm n ILE 250 Cb 0.38 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 1ubm n ILE 250 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ubm n GLY 251 N 1.14 0.78 0.00 3.28 0.00 -1.26 -4.85 105.19 104.28 1ubm n GLY 251 Ca 0.15 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.63 1ubm n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubm n SER 253 N -1.28 3.51 -4.77 0.00 3.41 -1.26 -3.61 113.62 109.62 1ubm n SER 253 Ca 0.11 -2.04 -0.31 0.00 -0.26 0.00 0.00 58.87 56.37 1ubm n SER 253 Cb 0.19 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 1ubm n SER 253 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ubm s GLU 254 N -1.22 2.89 0.41 4.33 0.41 -0.68 -4.53 118.70 120.31 1ubm s GLU 254 Ca 0.43 -0.67 -0.26 0.00 -0.41 0.00 0.00 54.97 54.06 1ubm s GLU 254 Cb 0.23 -2.73 -0.09 0.00 -1.78 0.00 0.00 34.13 29.75 1ubm s GLU 254 CO 0.28 0.58 1.38 -1.25 -0.49 0.00 0.00 175.26 175.76 1ubm s PRO 255 N -2.28 3.93 -1.53 0.39 0.04 -1.26 -2.51 135.00 131.78 1ubm s PRO 255 Ca 0.28 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1ubm s PRO 255 Cb -0.12 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1ubm s PRO 255 CO 0.21 -0.59 0.00 -0.25 0.04 0.00 0.00 177.00 176.41 1ubm n ASP 256 N 0.13 -5.03 0.24 6.66 8.00 -1.26 -4.83 116.55 120.46 1ubm n ASP 256 Ca 0.03 0.11 0.07 0.00 0.71 0.00 0.00 54.79 55.72 1ubm n ASP 256 Cb 0.42 -4.25 0.57 0.00 -0.02 0.00 0.00 41.12 37.84 1ubm n ASP 256 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1ubm h PHE 257 N 0.00 0.00 -0.56 1.24 -5.15 -1.78 0.28 116.94 110.97 1ubm h PHE 257 Ca -0.41 0.00 0.13 0.00 -0.20 0.00 0.00 57.97 57.49 1ubm h PHE 257 Cb 1.29 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.43 1ubm h PHE 257 CO 0.60 0.14 0.39 -1.49 -2.00 0.00 0.00 178.31 175.95 1ubm h TRP 258 N 0.00 0.23 0.00 6.09 4.06 -1.88 0.90 115.95 125.35 1ubm h TRP 258 Ca -0.00 0.01 -0.33 0.00 2.06 0.00 0.00 58.89 60.63 1ubm h TRP 258 Cb 0.25 -0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 28.28 1ubm h TRP 258 CO 0.00 0.10 -2.23 -0.25 -3.56 0.00 0.00 178.44 172.50 1ubm n ASP 259 N -4.44 1.54 0.09 -3.49 8.00 -0.68 -4.18 116.55 113.39 1ubm n ASP 259 Ca 0.10 -0.06 -0.07 0.00 0.71 0.00 0.00 54.79 55.46 1ubm n ASP 259 Cb 0.48 0.25 0.02 0.00 -0.02 0.00 0.00 41.12 41.85 1ubm n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubm h ALA 260 N 0.40 0.60 -0.01 2.24 0.00 -0.75 -3.32 119.26 118.42 1ubm h ALA 260 Ca -0.49 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1ubm h ALA 260 Cb 1.91 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ubm h ALA 260 CO -0.03 0.89 -0.54 -1.33 0.00 0.00 0.00 179.25 178.24 1ubm n MET 261 N -3.69 1.02 -3.46 0.00 2.81 0.29 -4.92 117.12 109.17 1ubm n MET 261 Ca -0.03 -0.83 -0.33 0.00 -1.81 0.00 0.00 57.70 54.70 1ubm n MET 261 Cb 0.76 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.74 1ubm n MET 261 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ubm s THR 262 N -2.55 4.97 0.24 2.03 -4.23 -1.25 -3.60 115.64 111.24 1ubm s THR 262 Ca 0.17 0.48 -0.30 0.00 -1.18 0.00 0.00 61.69 60.86 1ubm s THR 262 Cb 0.18 -3.64 -0.09 0.00 1.34 0.00 0.00 72.50 70.28 1ubm s THR 262 CO 0.61 0.04 1.28 -2.84 -0.54 0.00 0.00 174.62 173.18 1ubm s PRO 263 N -2.54 4.41 0.54 3.99 0.02 -1.26 -4.98 135.00 135.18 1ubm s PRO 263 Ca 0.43 2.07 0.27 0.00 0.02 0.00 0.00 61.00 63.79 1ubm s PRO 263 Cb -0.12 -3.16 1.55 0.00 0.02 0.00 0.00 34.50 32.78 1ubm s PRO 263 CO 0.21 -0.18 2.13 0.74 -0.33 0.00 0.00 177.00 179.57 1ubm h PHE 264 N 4.65 0.00 -0.59 6.54 0.04 -1.93 -2.61 116.94 123.04 1ubm h PHE 264 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1ubm h PHE 264 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1ubm h PHE 264 CO 0.60 0.08 0.00 0.66 -0.60 0.00 0.00 178.31 179.05 1ubm n TYR 265 N -3.76 1.87 -4.77 -0.55 4.01 -1.26 -4.33 117.16 108.37 1ubm n TYR 265 Ca -0.02 -0.70 -0.28 0.00 -0.16 0.00 0.00 57.90 56.74 1ubm n TYR 265 Cb 0.18 -0.43 -0.14 0.00 -0.31 0.00 0.00 39.34 38.64 1ubm n TYR 265 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1ubm s GLN 266 N -2.49 1.61 0.00 -0.72 -0.21 -0.99 -3.80 119.66 113.07 1ubm s GLN 266 Ca 0.53 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1ubm s GLN 266 Cb 0.39 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.62 1ubm s GLN 266 CO 0.18 0.46 0.25 0.09 -2.12 0.00 0.00 175.29 174.15