#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hub n ARG 5 N 0.00 1.76 -0.81 5.31 0.63 -1.26 -4.97 116.66 117.32 3hub n ARG 5 Ca 0.00 0.63 -0.30 0.00 -0.92 0.00 0.00 57.85 57.26 3hub n ARG 5 Cb 0.00 -2.30 0.18 0.00 0.45 0.00 0.00 32.46 30.79 3hub n ARG 5 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3hub s PRO 6 N 0.23 0.49 0.01 -0.14 0.04 -1.26 -4.98 135.00 129.38 3hub s PRO 6 Ca 0.76 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 3hub s PRO 6 Cb -0.75 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 3hub s PRO 6 CO 0.45 -2.85 1.26 0.99 0.04 0.00 0.00 177.00 176.90 3hub s THR 7 N -2.68 3.97 0.32 1.26 2.01 -1.26 -4.97 115.64 114.29 3hub s THR 7 Ca 0.66 1.37 0.04 0.00 0.31 0.00 0.00 61.69 64.07 3hub s THR 7 Cb -0.22 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 3hub s THR 7 CO 0.60 0.05 0.48 -0.36 -0.69 0.00 0.00 174.62 174.69 3hub s PHE 8 N 1.75 3.28 0.06 4.92 0.40 -1.26 -0.62 117.98 126.52 3hub s PHE 8 Ca 0.59 -0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.94 3hub s PHE 8 Cb -0.29 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 3hub s PHE 8 CO 0.26 0.09 -0.09 1.52 0.70 0.00 0.00 175.22 177.70 3hub s TYR 9 N -2.19 0.86 -0.13 0.36 -0.85 -0.08 -4.80 117.35 110.52 3hub s TYR 9 Ca 0.41 -0.55 -0.06 0.00 -0.52 0.00 0.00 57.07 56.35 3hub s TYR 9 Cb -0.09 -0.50 -0.04 0.00 0.38 0.00 0.00 41.96 41.71 3hub s TYR 9 CO 0.32 -0.05 0.10 -0.98 -1.52 0.00 0.00 175.55 173.42 3hub s ARG 10 N -1.98 3.50 -0.26 -3.49 1.04 -1.26 -2.13 118.95 114.38 3hub s ARG 10 Ca -0.04 -0.23 -0.10 0.00 -1.04 0.00 0.00 55.73 54.32 3hub s ARG 10 Cb -0.08 -3.14 0.11 0.00 -2.04 0.00 0.00 34.95 29.80 3hub s ARG 10 CO 0.00 0.64 0.58 -1.14 -0.04 0.00 0.00 175.30 175.34 3hub s GLN 11 N -0.66 0.52 0.11 3.89 0.74 -0.56 -5.00 119.66 118.70 3hub s GLN 11 Ca 0.12 1.26 -0.31 0.00 0.05 0.00 0.00 55.36 56.48 3hub s GLN 11 Cb -0.12 0.54 -0.09 0.00 1.10 0.00 0.00 33.01 34.44 3hub s GLN 11 CO 0.02 -0.20 1.65 -2.00 -0.55 0.00 0.00 175.29 174.21 3hub s GLU 12 N 2.50 4.19 -0.12 1.67 2.12 -1.26 -2.25 118.70 125.55 3hub s GLU 12 Ca -0.06 2.38 -0.11 0.00 0.36 0.00 0.00 54.97 57.54 3hub s GLU 12 Cb -0.11 -3.44 0.03 0.00 0.26 0.00 0.00 34.13 30.87 3hub s GLU 12 CO -0.17 -0.71 0.33 -0.51 -0.54 0.00 0.00 175.26 173.66 3hub s LEU 13 N 2.14 0.72 -1.03 2.70 1.43 0.30 -4.87 118.68 120.07 3hub s LEU 13 Ca 0.73 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 3hub s LEU 13 Cb -0.42 1.11 0.00 0.00 0.03 0.00 0.00 46.19 46.91 3hub s LEU 13 CO 0.32 -0.12 0.00 0.59 0.23 0.00 0.00 176.35 177.38 3hub n ASN 14 N 2.99 -3.58 -2.63 2.29 5.03 -1.26 -1.73 115.26 116.37 3hub n ASN 14 Ca -0.14 0.23 -0.18 0.00 0.87 0.00 0.00 54.58 55.36 3hub n ASN 14 Cb 0.58 -3.11 0.05 0.00 -1.02 0.00 0.00 39.78 36.27 3hub n ASN 14 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3hub n LYS 15 N -2.59 -5.02 -4.00 3.52 5.02 -1.26 -5.03 118.16 108.80 3hub n LYS 15 Ca -0.13 0.67 -0.08 0.00 -2.02 0.00 0.00 58.31 56.74 3hub n LYS 15 Cb 0.56 -5.11 -0.09 0.00 -0.02 0.00 0.00 35.03 30.37 3hub n LYS 15 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hub s THR 16 N -3.14 0.17 -0.62 -0.18 -4.23 -0.70 -5.13 115.64 101.81 3hub s THR 16 Ca 0.35 -1.56 -0.24 0.00 -1.18 0.00 0.00 61.69 59.06 3hub s THR 16 Cb -0.15 -1.54 0.05 0.00 1.34 0.00 0.00 72.50 72.20 3hub s THR 16 CO 0.43 -0.76 0.97 -0.63 -0.54 0.00 0.00 174.62 174.09 3hub s ILE 17 N -3.92 4.31 0.30 2.99 -1.09 -1.26 -0.54 121.20 122.00 3hub s ILE 17 Ca 0.09 -0.03 -0.28 0.00 -2.23 0.00 0.00 60.65 58.20 3hub s ILE 17 Cb 0.06 -4.63 -0.09 0.00 -1.58 0.00 0.00 42.46 36.22 3hub s ILE 17 CO -0.08 -1.33 1.06 0.26 -1.23 0.00 0.00 174.94 173.62 3hub s TRP 18 N 4.12 3.58 -0.23 3.97 0.52 -0.95 -4.88 118.94 125.07 3hub s TRP 18 Ca 0.27 1.72 -0.01 0.00 0.02 0.00 0.00 56.10 58.10 3hub s TRP 18 Cb -0.14 -3.20 0.07 0.00 -1.15 0.00 0.00 33.47 29.05 3hub s TRP 18 CO 0.14 -0.39 -0.00 -2.00 0.02 0.00 0.00 176.95 174.72 3hub s GLU 19 N -1.64 1.20 0.11 4.98 2.12 -1.26 -1.50 118.70 122.71 3hub s GLU 19 Ca 0.47 -0.83 0.09 0.00 0.36 0.00 0.00 54.97 55.05 3hub s GLU 19 Cb -0.29 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 3hub s GLU 19 CO 0.36 -0.66 -0.22 0.14 -0.54 0.00 0.00 175.26 174.34 3hub s VAL 20 N 1.56 1.81 0.63 3.70 -7.23 -0.90 -4.58 120.40 115.37 3hub s VAL 20 Ca -0.02 -1.58 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 3hub s VAL 20 Cb -0.18 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 3hub s VAL 20 CO -0.09 -0.04 1.25 -2.65 -0.31 0.00 0.00 175.10 173.26 3hub n PRO 21 N 1.05 1.16 0.28 4.82 -0.02 -1.26 -0.90 135.00 140.12 3hub n PRO 21 Ca -0.19 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 61.88 3hub n PRO 21 Cb 0.53 -2.48 0.80 0.00 -0.02 0.00 0.00 33.50 32.33 3hub n PRO 21 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hub h GLU 22 N 0.65 0.00 -1.14 -0.52 4.11 -1.18 -2.09 114.58 114.42 3hub h GLU 22 Ca -0.50 0.00 0.32 0.00 0.07 0.00 0.00 59.36 59.25 3hub h GLU 22 Cb 1.34 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.51 3hub h GLU 22 CO 0.53 0.08 0.77 0.07 0.07 0.00 0.00 179.01 180.53 3hub h ARG 23 N 0.00 0.20 -5.45 1.06 0.11 -1.89 -3.38 114.38 105.03 3hub h ARG 23 Ca -0.00 -0.01 -0.63 0.00 0.10 0.00 0.00 59.98 59.44 3hub h ARG 23 Cb 0.24 -0.05 -0.13 0.00 1.11 0.00 0.00 29.97 31.14 3hub h ARG 23 CO 0.01 0.13 0.10 0.71 0.10 0.00 0.00 179.97 181.03 3hub s TYR 24 N -5.26 3.19 0.12 4.08 1.51 -0.79 -0.92 117.35 119.28 3hub s TYR 24 Ca -0.07 0.46 0.09 0.00 -1.01 0.00 0.00 57.07 56.54 3hub s TYR 24 Cb 0.25 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 3hub s TYR 24 CO 0.81 -0.51 -0.20 -0.65 -1.11 0.00 0.00 175.55 173.89 3hub s GLN 25 N 2.58 1.71 -0.68 -0.62 -1.52 0.27 -4.86 119.66 116.54 3hub s GLN 25 Ca 0.24 -1.21 -0.01 0.00 -1.95 0.00 0.00 55.36 52.42 3hub s GLN 25 Cb -0.15 -2.07 0.00 0.00 -0.22 0.00 0.00 33.01 30.57 3hub s GLN 25 CO 0.13 0.47 0.58 0.09 -0.25 0.00 0.00 175.29 176.31 3hub n ASN 26 N 0.81 -2.72 -4.68 5.90 3.02 -1.26 -0.17 115.26 116.16 3hub n ASN 26 Ca -0.16 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 53.64 3hub n ASN 26 Cb 0.53 -3.03 -0.03 0.00 -0.61 0.00 0.00 39.78 36.64 3hub n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hub s LEU 27 N -4.42 4.29 -0.01 3.41 1.02 -1.26 -4.53 118.68 117.19 3hub s LEU 27 Ca 0.09 2.01 0.01 0.00 0.02 0.00 0.00 54.13 56.27 3hub s LEU 27 Cb -0.04 -3.55 0.01 0.00 0.02 0.00 0.00 46.19 42.63 3hub s LEU 27 CO 0.40 -0.73 -0.02 -0.94 0.02 0.00 0.00 176.35 175.09 3hub s SER 28 N 1.99 0.36 0.49 2.29 1.04 -0.93 -4.97 113.70 113.97 3hub s SER 28 Ca 0.62 -0.04 -0.21 0.00 0.48 0.00 0.00 55.95 56.80 3hub s SER 28 Cb -0.29 -0.12 -0.09 0.00 0.10 0.00 0.00 66.02 65.62 3hub s SER 28 CO 0.24 -0.02 0.84 -2.65 0.98 0.00 0.00 173.24 172.63 3hub n PRO 29 N 3.50 0.97 -4.10 4.02 -0.02 -1.26 -0.52 135.00 137.60 3hub n PRO 29 Ca -0.19 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.56 3hub n PRO 29 Cb 0.55 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 3hub n PRO 29 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hub s VAL 30 N -1.44 0.40 0.00 -1.45 -7.23 -0.95 -4.73 120.40 104.99 3hub s VAL 30 Ca 0.67 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 3hub s VAL 30 Cb -0.51 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.16 3hub s VAL 30 CO 0.54 -0.81 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3hub n GLY 31 N 0.45 0.65 4.01 2.32 0.00 -1.26 -4.13 105.19 107.23 3hub n GLY 31 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3hub n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hub n SER 32 N -0.06 -0.97 0.00 1.61 7.64 -1.26 -2.04 113.62 118.54 3hub n SER 32 Ca 0.00 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.82 3hub n SER 32 Cb 0.03 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.93 3hub n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hub n GLY 33 N -2.13 0.79 0.12 0.23 0.00 -1.26 -4.87 105.19 98.06 3hub n GLY 33 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3hub n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hub n ALA 34 N 1.00 1.71 0.17 4.61 0.00 -0.86 -3.20 120.51 123.94 3hub n ALA 34 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.52 3hub n ALA 34 Cb 0.01 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 3hub n ALA 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hub n TYR 35 N -2.18 0.00 0.00 0.00 4.01 -1.26 -5.11 117.16 112.62 3hub n TYR 35 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3hub n TYR 35 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 3hub n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hub n GLY 36 N 0.68 -0.18 3.39 2.72 0.00 -1.19 -4.82 105.19 105.78 3hub n GLY 36 Ca 0.01 -2.06 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 3hub n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hub s SER 37 N -4.00 6.53 -0.03 1.61 0.15 -1.26 -4.18 113.70 112.53 3hub s SER 37 Ca 0.00 -2.05 0.06 0.00 0.70 0.00 0.00 55.95 54.66 3hub s SER 37 Cb 0.00 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 3hub s SER 37 CO 0.00 -0.93 -0.22 -0.69 1.20 0.00 0.00 173.24 172.60 3hub s VAL 38 N 1.91 1.76 -0.01 4.45 1.01 -1.26 -1.33 120.40 126.93 3hub s VAL 38 Ca 0.22 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3hub s VAL 38 Cb -0.12 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3hub s VAL 38 CO -0.04 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.36 3hub s ALA 40 N -0.48 3.05 0.15 0.00 0.00 0.32 -0.37 121.76 124.42 3hub s ALA 40 Ca 0.08 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 3hub s ALA 40 Cb -0.08 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.58 3hub s ALA 40 CO -0.01 -0.92 0.34 0.00 0.00 0.00 0.00 175.76 175.18 3hub s ALA 41 N -1.37 -0.45 -0.23 0.00 0.00 -0.22 -2.20 121.76 117.30 3hub s ALA 41 Ca 0.63 -0.51 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 3hub s ALA 41 Cb -0.36 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 3hub s ALA 41 CO 0.44 -0.65 0.06 0.12 0.00 0.00 0.00 175.76 175.73 3hub s PHE 42 N -3.89 3.10 -0.55 0.00 5.36 0.76 -1.19 117.98 121.56 3hub s PHE 42 Ca 0.10 -0.35 -0.22 0.00 -0.96 0.00 0.00 56.93 55.49 3hub s PHE 42 Cb 0.02 -2.19 0.05 0.00 -0.34 0.00 0.00 43.02 40.57 3hub s PHE 42 CO -0.06 -0.26 0.82 0.34 -1.46 0.00 0.00 175.22 174.60 3hub s ASP 43 N 1.32 6.27 0.50 6.13 -1.08 -0.19 -0.57 116.67 129.06 3hub s ASP 43 Ca 0.05 -0.67 0.22 0.00 -0.52 0.00 0.00 52.55 51.63 3hub s ASP 43 Cb -0.15 -2.37 1.33 0.00 -1.46 0.00 0.00 42.92 40.27 3hub s ASP 43 CO 0.03 -1.12 2.08 0.71 0.52 0.00 0.00 175.17 177.38 3hub h THR 44 N 5.95 0.79 -0.11 1.71 1.35 -1.33 0.71 112.91 121.99 3hub h THR 44 Ca -0.27 -0.46 -0.10 0.00 -0.55 0.00 0.00 66.41 65.03 3hub h THR 44 Cb 1.08 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3hub h THR 44 CO 1.05 0.12 -0.32 0.50 -0.25 0.00 0.00 175.52 176.62 3hub h LYS 45 N 0.00 0.42 0.00 4.72 3.64 -1.91 -3.34 116.57 120.10 3hub h LYS 45 Ca -0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3hub h LYS 45 Cb 0.26 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3hub h LYS 45 CO 0.02 0.92 -1.64 0.25 -2.27 0.00 0.00 179.45 176.73 3hub n THR 46 N -4.39 0.10 -1.00 1.00 -2.24 -1.20 -5.01 114.28 101.54 3hub n THR 46 Ca -0.07 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3hub n THR 46 Cb 0.49 0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3hub n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hub n GLY 47 N 1.29 0.46 3.89 3.38 0.00 0.24 -5.04 105.19 109.42 3hub n GLY 47 Ca -0.02 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3hub n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hub s LEU 48 N -0.01 4.35 -0.04 0.99 1.43 -1.20 -4.91 118.68 119.30 3hub s LEU 48 Ca 0.00 0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 53.37 3hub s LEU 48 Cb 0.00 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3hub s LEU 48 CO 0.00 0.22 0.70 -0.13 0.23 0.00 0.00 176.35 177.37 3hub s ARG 49 N -1.99 4.43 0.16 1.70 0.52 -1.26 -1.02 118.95 121.50 3hub s ARG 49 Ca 0.30 0.90 0.03 0.00 -0.52 0.00 0.00 55.73 56.44 3hub s ARG 49 Cb -0.13 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 3hub s ARG 49 CO 0.19 0.15 -0.06 0.14 0.02 0.00 0.00 175.30 175.74 3hub s VAL 50 N 0.50 0.99 -0.14 3.52 -7.23 -0.34 -1.49 120.40 116.21 3hub s VAL 50 Ca 0.37 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3hub s VAL 50 Cb -0.18 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 3hub s VAL 50 CO 0.19 -0.64 -0.14 0.00 -0.31 0.00 0.00 175.10 174.21 3hub s ALA 51 N -3.45 2.58 -0.23 1.32 0.00 0.10 -1.06 121.76 121.02 3hub s ALA 51 Ca 0.19 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 3hub s ALA 51 Cb 0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3hub s ALA 51 CO 0.02 0.15 0.04 0.08 0.00 0.00 0.00 175.76 176.04 3hub s VAL 52 N 0.52 4.07 -0.23 0.00 1.01 0.50 -1.61 120.40 124.66 3hub s VAL 52 Ca -0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3hub s VAL 52 Cb -0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 3hub s VAL 52 CO 0.04 0.37 0.03 -0.75 0.00 0.00 0.00 175.10 174.80 3hub s LYS 53 N 1.45 3.58 -0.46 2.72 2.20 0.56 -1.39 119.74 128.39 3hub s LYS 53 Ca 0.05 -0.52 -0.23 0.00 -0.36 0.00 0.00 55.97 54.91 3hub s LYS 53 Cb -0.15 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3hub s LYS 53 CO 0.02 -0.16 0.82 0.21 -0.36 0.00 0.00 175.35 175.88 3hub s LYS 54 N 1.47 3.41 0.41 4.03 2.20 -0.44 -0.98 119.74 129.85 3hub s LYS 54 Ca 0.05 -0.10 -0.26 0.00 -0.36 0.00 0.00 55.97 55.31 3hub s LYS 54 Cb -0.15 -3.95 -0.10 0.00 -1.51 0.00 0.00 37.83 32.12 3hub s LYS 54 CO 0.02 -1.17 1.36 1.28 -0.36 0.00 0.00 175.35 176.47 3hub n LEU 55 N 6.85 4.42 -4.55 5.43 4.77 -0.50 -4.34 117.00 129.08 3hub n LEU 55 Ca 0.03 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 56.81 3hub n LEU 55 Cb 0.48 -1.55 -0.11 0.00 -2.33 0.00 0.00 43.42 39.91 3hub n LEU 55 CO 0.60 -0.33 -0.31 -0.94 -1.33 0.00 0.00 177.39 175.08 3hub s SER 56 N -0.41 5.13 -1.35 -1.43 1.04 -1.26 -4.64 113.70 110.78 3hub s SER 56 Ca 0.59 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.95 3hub s SER 56 Cb -0.49 -1.86 0.01 0.00 0.10 0.00 0.00 66.02 63.78 3hub s SER 56 CO 0.60 0.16 0.65 0.54 0.98 0.00 0.00 173.24 176.17 3hub n ARG 57 N 3.59 -4.56 0.14 4.02 1.74 -1.26 -4.86 116.66 115.46 3hub n ARG 57 Ca -0.17 0.57 -0.01 0.00 -0.77 0.00 0.00 57.85 57.47 3hub n ARG 57 Cb 0.52 -5.05 0.17 0.00 -1.02 0.00 0.00 32.46 27.08 3hub n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hub h PRO 58 N -1.87 0.00 -0.17 5.56 0.13 -1.84 -3.10 132.00 130.70 3hub h PRO 58 Ca -0.61 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.39 3hub h PRO 58 Cb 1.36 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.39 3hub h PRO 58 CO 0.59 0.62 -0.58 1.19 -0.23 0.00 0.00 178.00 179.59 3hub n PHE 59 N -3.74 0.62 0.09 1.56 3.72 -1.26 -0.53 117.46 117.91 3hub n PHE 59 Ca -0.01 -1.65 -0.07 0.00 -0.05 0.00 0.00 57.45 55.67 3hub n PHE 59 Cb 0.63 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3hub n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3hub h GLN 60 N 1.27 0.13 -4.08 -1.08 4.15 -1.90 -3.46 115.11 110.14 3hub h GLN 60 Ca 0.08 -0.15 -0.17 0.00 0.77 0.00 0.00 58.65 59.19 3hub h GLN 60 Cb 1.13 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.75 3hub h GLN 60 CO 0.17 0.91 -0.31 -1.54 -1.93 0.00 0.00 178.83 176.13 3hub s SER 61 N -6.88 0.20 0.22 -0.69 1.04 -1.26 -5.03 113.70 101.30 3hub s SER 61 Ca -0.02 -1.20 -0.08 0.00 0.48 0.00 0.00 55.95 55.13 3hub s SER 61 Cb 0.10 0.53 0.19 0.00 0.10 0.00 0.00 66.02 66.94 3hub s SER 61 CO 0.82 -1.06 1.85 0.40 0.98 0.00 0.00 173.24 176.23 3hub h ILE 62 N 2.35 1.24 -0.09 -1.02 2.04 -1.92 -0.88 117.51 119.23 3hub h ILE 62 Ca -0.30 -0.57 -0.21 0.00 1.00 0.00 0.00 64.86 64.78 3hub h ILE 62 Cb 1.25 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3hub h ILE 62 CO 0.42 0.26 -0.80 0.40 0.00 0.00 0.00 178.15 178.43 3hub h ILE 63 N 1.18 1.33 0.57 -0.67 1.08 -1.96 -0.69 117.51 118.34 3hub h ILE 63 Ca 0.30 -2.11 -0.02 0.00 -0.39 0.00 0.00 64.86 62.64 3hub h ILE 63 Cb -0.01 2.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 3hub h ILE 63 CO -0.05 0.65 -0.37 0.45 -0.69 0.00 0.00 178.15 178.14 3hub h HIS 64 N 0.39 -0.98 -0.40 1.37 3.86 -1.79 -1.61 115.15 116.00 3hub h HIS 64 Ca -0.05 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.23 3hub h HIS 64 Cb 1.41 0.35 -0.09 0.00 1.06 0.00 0.00 27.41 30.15 3hub h HIS 64 CO 0.07 -0.55 -0.22 0.00 0.86 0.00 0.00 177.93 178.08 3hub h ALA 65 N -0.56 0.05 -0.80 2.45 0.00 0.66 -1.24 119.26 119.83 3hub h ALA 65 Ca -0.07 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3hub h ALA 65 Cb 0.73 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3hub h ALA 65 CO 0.06 -0.59 0.47 -0.22 0.00 0.00 0.00 179.25 178.96 3hub h LYS 66 N -0.15 0.81 -0.08 0.00 3.64 -1.11 -2.27 116.57 117.41 3hub h LYS 66 Ca 0.19 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.37 3hub h LYS 66 Cb 0.45 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3hub h LYS 66 CO -0.49 0.54 -0.62 0.00 -2.27 0.00 0.00 179.45 176.60 3hub h ARG 67 N 0.84 0.29 -0.08 1.90 3.08 -0.91 -1.89 114.38 117.60 3hub h ARG 67 Ca 0.36 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3hub h ARG 67 Cb 0.23 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3hub h ARG 67 CO -0.20 0.82 0.05 1.15 -1.07 0.00 0.00 179.97 180.72 3hub h THR 68 N 0.22 1.08 -0.67 2.04 2.02 -1.06 -0.88 112.91 115.65 3hub h THR 68 Ca -0.01 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3hub h THR 68 Cb 1.14 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3hub h THR 68 CO 0.10 0.07 0.35 0.22 0.37 0.00 0.00 175.52 176.63 3hub h TYR 69 N 0.05 0.94 0.08 3.16 5.03 -1.24 -0.15 116.97 124.84 3hub h TYR 69 Ca 0.03 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 3hub h TYR 69 Cb 0.07 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.05 3hub h TYR 69 CO -0.05 0.68 -0.04 -0.09 -1.32 0.00 0.00 178.16 177.34 3hub h ARG 70 N 0.92 -0.10 -0.26 1.82 2.43 -1.29 0.62 114.38 118.52 3hub h ARG 70 Ca 0.23 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3hub h ARG 70 Cb 0.07 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3hub h ARG 70 CO -0.03 0.08 0.11 1.49 -1.51 0.00 0.00 179.97 180.10 3hub h GLU 71 N -0.27 0.23 -0.05 0.20 4.81 -0.78 -0.65 114.58 118.07 3hub h GLU 71 Ca -0.01 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3hub h GLU 71 Cb 0.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3hub h GLU 71 CO 0.02 0.15 -0.07 1.25 -0.73 0.00 0.00 179.01 179.63 3hub h LEU 72 N 0.24 -0.21 -0.43 1.64 6.46 -0.98 -2.27 115.31 119.75 3hub h LEU 72 Ca 0.11 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3hub h LEU 72 Cb 0.05 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3hub h LEU 72 CO -0.09 -0.10 0.18 0.03 -0.62 0.00 0.00 178.44 177.84 3hub h ARG 73 N -0.09 0.64 0.15 1.25 3.08 -0.52 -1.51 114.38 117.38 3hub h ARG 73 Ca 0.05 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3hub h ARG 73 Cb 0.16 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3hub h ARG 73 CO -0.11 0.58 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.90 3hub h LEU 74 N 0.55 -1.17 -0.87 3.04 3.38 -1.14 -1.74 115.31 117.36 3hub h LEU 74 Ca 0.14 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.33 3hub h LEU 74 Cb 0.18 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 3hub h LEU 74 CO -0.01 -0.49 0.52 -0.07 0.09 0.00 0.00 178.44 178.48 3hub h LEU 75 N -0.66 0.76 -1.61 1.67 3.38 -1.35 -1.62 115.31 115.88 3hub h LEU 75 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hub h LEU 75 Cb 0.67 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hub h LEU 75 CO -0.21 0.44 0.03 0.11 0.09 0.00 0.00 178.44 178.89 3hub h LYS 76 N 0.87 0.27 0.03 1.13 1.57 -1.16 -3.08 116.57 116.20 3hub h LYS 76 Ca 0.41 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.93 3hub h LYS 76 Cb 0.35 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3hub h LYS 76 CO -0.24 0.28 -1.09 1.25 -0.57 0.00 0.00 179.45 179.08 3hub h HIS 77 N 0.27 0.13 -2.98 -1.35 2.76 -0.42 -3.44 115.15 110.12 3hub h HIS 77 Ca 0.07 -0.09 -0.55 0.00 -2.20 0.00 0.00 60.37 57.59 3hub h HIS 77 Cb 0.14 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 3hub h HIS 77 CO 0.00 1.08 1.02 -1.64 -1.30 0.00 0.00 177.93 177.08 3hub s MET 78 N -2.69 3.42 -0.44 5.26 -1.94 -0.73 -4.95 119.30 117.23 3hub s MET 78 Ca -0.01 0.20 0.02 0.00 -1.71 0.00 0.00 55.69 54.20 3hub s MET 78 Cb 0.09 -4.06 0.13 0.00 2.01 0.00 0.00 34.83 33.00 3hub s MET 78 CO 0.84 -1.81 0.21 0.15 -0.01 0.00 0.00 175.02 174.40 3hub s LYS 79 N 5.20 1.42 -0.25 2.03 1.02 -1.26 -4.13 119.74 123.77 3hub s LYS 79 Ca 0.43 -2.05 -0.26 0.00 0.02 0.00 0.00 55.97 54.11 3hub s LYS 79 Cb -0.08 -2.62 0.11 0.00 -0.52 0.00 0.00 37.83 34.72 3hub s LYS 79 CO 0.23 -1.11 0.94 -1.58 -0.92 0.00 0.00 175.35 172.91 3hub s HIS 80 N 0.37 -0.54 0.52 3.18 2.46 -1.26 -5.05 115.29 114.97 3hub s HIS 80 Ca 0.16 1.27 0.17 0.00 0.47 0.00 0.00 55.06 57.13 3hub s HIS 80 Cb -0.24 0.36 1.30 0.00 -0.13 0.00 0.00 32.58 33.87 3hub s HIS 80 CO -0.03 -0.30 2.15 0.93 -2.47 0.00 0.00 174.74 175.02 3hub h GLU 81 N 4.10 0.00 -0.53 2.88 5.08 -1.97 -2.96 114.58 121.18 3hub h GLU 81 Ca -0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 3hub h GLU 81 Cb 1.17 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 3hub h GLU 81 CO 0.14 0.00 0.13 0.09 -1.00 0.00 0.00 179.01 178.37 3hub n ASN 82 N -4.51 4.20 -3.77 1.42 5.03 -1.26 -4.67 115.26 111.70 3hub n ASN 82 Ca -0.02 -3.25 -0.13 0.00 0.87 0.00 0.00 54.58 52.04 3hub n ASN 82 Cb 0.12 -0.67 -0.14 0.00 -1.02 0.00 0.00 39.78 38.07 3hub n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hub s VAL 83 N -2.99 -0.03 0.03 2.41 1.01 -1.12 -1.13 120.40 118.58 3hub s VAL 83 Ca 0.50 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3hub s VAL 83 Cb 0.41 -0.23 -0.09 0.00 0.00 0.00 0.00 36.38 36.47 3hub s VAL 83 CO 0.10 0.05 1.96 -0.63 0.00 0.00 0.00 175.10 176.58 3hub s ILE 84 N 0.85 3.04 0.00 2.22 -1.09 -0.57 -4.44 121.20 121.20 3hub s ILE 84 Ca -0.06 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 3hub s ILE 84 Cb -0.08 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 3hub s ILE 84 CO -0.04 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.27 3hub n GLY 85 N 4.54 5.50 3.42 6.18 0.00 -1.26 -4.84 105.19 118.73 3hub n GLY 85 Ca 0.20 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 3hub n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hub s LEU 86 N 0.00 3.04 0.08 0.99 1.43 -1.24 -4.63 118.68 118.35 3hub s LEU 86 Ca 0.00 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3hub s LEU 86 Cb 0.00 -1.74 -0.25 0.00 0.03 0.00 0.00 46.19 44.24 3hub s LEU 86 CO 0.00 0.11 1.16 -0.07 0.23 0.00 0.00 176.35 177.78 3hub h LEU 87 N 7.15 0.58 -7.14 1.79 3.38 -1.15 -3.42 115.31 116.51 3hub h LEU 87 Ca -0.33 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.04 3hub h LEU 87 Cb 1.19 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 3hub h LEU 87 CO 0.60 1.41 0.11 -0.62 0.09 0.00 0.00 178.44 180.03 3hub s ASP 88 N -7.24 -0.46 -0.09 -0.43 3.68 -1.15 -4.58 116.67 106.40 3hub s ASP 88 Ca -0.06 -0.06 -0.06 0.00 2.13 0.00 0.00 52.55 54.50 3hub s ASP 88 Cb 0.07 0.55 0.04 0.00 -1.45 0.00 0.00 42.92 42.13 3hub s ASP 88 CO 0.90 -0.90 0.23 0.54 0.13 0.00 0.00 175.17 176.06 3hub s VAL 89 N -3.59 -0.03 0.15 1.11 0.11 -1.26 -0.95 120.40 115.94 3hub s VAL 89 Ca 0.01 0.11 -0.08 0.00 -2.93 0.00 0.00 61.98 59.09 3hub s VAL 89 Cb -0.00 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3hub s VAL 89 CO -0.11 0.04 0.24 0.72 -3.33 0.00 0.00 175.10 172.66 3hub s PHE 90 N 0.92 0.42 0.02 1.54 -0.12 -0.48 -4.99 117.98 115.28 3hub s PHE 90 Ca -0.07 -0.79 0.02 0.00 -0.05 0.00 0.00 56.93 56.04 3hub s PHE 90 Cb -0.08 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.19 3hub s PHE 90 CO -0.06 -0.67 -0.06 -0.08 -0.05 0.00 0.00 175.22 174.31 3hub s THR 91 N -3.96 0.40 -2.00 -4.49 -1.32 -1.26 -0.91 115.64 102.09 3hub s THR 91 Ca 0.16 -0.63 0.12 0.00 -1.21 0.00 0.00 61.69 60.13 3hub s THR 91 Cb 0.04 -0.42 0.34 0.00 -1.51 0.00 0.00 72.50 70.96 3hub s THR 91 CO -0.02 -0.17 1.23 -0.81 -2.21 0.00 0.00 174.62 172.65 3hub n PRO 92 N 2.20 0.67 -3.09 7.08 -0.05 -1.26 -4.84 135.00 135.71 3hub n PRO 92 Ca -0.18 0.00 -0.38 0.00 -0.05 0.00 0.00 63.50 62.89 3hub n PRO 92 Cb 0.57 -1.28 -0.06 0.00 -0.05 0.00 0.00 33.50 32.68 3hub n PRO 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3hub s ALA 93 N -2.00 3.47 -0.41 0.55 0.00 -1.26 -4.99 121.76 117.12 3hub s ALA 93 Ca 0.18 0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.58 3hub s ALA 93 Cb 0.08 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 3hub s ALA 93 CO 0.14 0.33 0.96 0.54 0.00 0.00 0.00 175.76 177.73 3hub n ARG 94 N 1.28 0.44 -4.02 0.00 1.74 -1.26 -4.96 116.66 109.88 3hub n ARG 94 Ca -0.05 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.94 3hub n ARG 94 Cb 0.50 -1.65 -0.08 0.00 -1.02 0.00 0.00 32.46 30.21 3hub n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hub s SER 95 N -4.44 0.12 0.12 0.55 1.04 -1.26 -5.03 113.70 104.79 3hub s SER 95 Ca 0.01 -0.98 -0.19 0.00 0.48 0.00 0.00 55.95 55.27 3hub s SER 95 Cb 0.13 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 3hub s SER 95 CO 0.81 -0.85 1.73 0.25 0.98 0.00 0.00 173.24 176.17 3hub h LEU 96 N 2.64 0.29 -2.29 2.42 5.85 -1.96 -0.56 115.31 121.70 3hub h LEU 96 Ca -0.33 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3hub h LEU 96 Cb 1.22 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3hub h LEU 96 CO 0.51 0.27 0.18 1.05 -0.34 0.00 0.00 178.44 180.12 3hub h GLU 97 N 0.28 0.00 0.00 1.25 9.09 -2.02 -0.62 114.58 122.56 3hub h GLU 97 Ca 0.08 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.33 3hub h GLU 97 Cb 0.04 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.11 3hub h GLU 97 CO -0.01 0.00 -0.95 0.93 0.05 0.00 0.00 179.01 179.03 3hub h GLU 98 N 0.00 0.00 -5.89 1.06 5.08 -1.80 -3.47 114.58 109.56 3hub h GLU 98 Ca 0.07 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.79 3hub h GLU 98 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3hub h GLU 98 CO -0.00 0.61 1.46 0.34 -1.00 0.00 0.00 179.01 180.42 3hub n PHE 99 N -3.18 1.52 0.00 4.33 7.35 -0.24 -4.76 117.46 122.48 3hub n PHE 99 Ca -0.03 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 3hub n PHE 99 Cb 0.85 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 38.15 3hub n PHE 99 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3hub n ASN 100 N 10.43 2.69 -4.31 -2.13 3.02 -1.26 -5.04 115.26 118.66 3hub n ASN 100 Ca 0.42 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.71 3hub n ASN 100 Cb 0.24 0.07 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 3hub n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3hub s ASP 101 N -3.35 2.78 -0.05 6.41 1.01 -1.26 -4.72 116.67 117.49 3hub s ASP 101 Ca 0.00 -0.66 0.04 0.00 0.71 0.00 0.00 52.55 52.64 3hub s ASP 101 Cb 0.00 -0.19 -0.00 0.00 1.01 0.00 0.00 42.92 43.74 3hub s ASP 101 CO 0.00 0.13 -0.17 -0.69 0.21 0.00 0.00 175.17 174.65 3hub s VAL 102 N -1.03 1.44 -0.08 -1.27 1.01 -1.26 -4.51 120.40 114.70 3hub s VAL 102 Ca 0.09 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3hub s VAL 102 Cb -0.10 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3hub s VAL 102 CO 0.04 0.42 -0.17 -0.31 0.00 0.00 0.00 175.10 175.08 3hub s TYR 103 N 0.15 1.91 -0.08 5.22 1.51 -0.09 -1.41 117.35 124.56 3hub s TYR 103 Ca -0.06 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.24 3hub s TYR 103 Cb -0.13 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 3hub s TYR 103 CO 0.03 -0.35 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.53 3hub s LEU 104 N 0.58 3.09 -0.09 -1.29 1.43 -0.15 -1.39 118.68 120.86 3hub s LEU 104 Ca -0.15 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3hub s LEU 104 Cb -0.17 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 3hub s LEU 104 CO 0.05 0.33 -0.24 -0.69 0.23 0.00 0.00 176.35 176.03 3hub s VAL 105 N -0.59 2.02 0.28 -1.59 1.01 -0.13 -0.33 120.40 121.07 3hub s VAL 105 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3hub s VAL 105 Cb -0.12 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3hub s VAL 105 CO 0.02 0.55 0.28 0.28 0.00 0.00 0.00 175.10 176.23 3hub s THR 106 N 0.22 0.00 0.21 3.92 -1.32 -0.63 -0.50 115.64 117.54 3hub s THR 106 Ca -0.15 -1.86 -0.32 0.00 -1.21 0.00 0.00 61.69 58.15 3hub s THR 106 Cb -0.17 -2.50 -0.13 0.00 -1.51 0.00 0.00 72.50 68.19 3hub s THR 106 CO 0.07 0.00 1.52 1.41 -2.21 0.00 0.00 174.62 175.42 3hub n HIS 107 N -0.46 2.33 -2.68 9.09 8.25 -1.26 0.00 115.22 130.50 3hub n HIS 107 Ca 0.03 0.32 -0.42 0.00 -0.26 0.00 0.00 57.72 57.39 3hub n HIS 107 Cb 0.63 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 29.19 3hub n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hub s LEU 108 N 0.45 3.66 0.01 2.41 2.96 -0.56 -4.40 118.68 123.21 3hub s LEU 108 Ca 0.73 -0.47 -0.14 0.00 -0.22 0.00 0.00 54.13 54.02 3hub s LEU 108 Cb -0.63 -2.67 -0.35 0.00 0.50 0.00 0.00 46.19 43.04 3hub s LEU 108 CO 0.43 -1.59 0.92 0.24 -1.32 0.00 0.00 176.35 175.04 3hub h MET 109 N 9.72 0.51 0.00 1.98 2.86 -1.89 -3.46 114.93 124.65 3hub h MET 109 Ca -0.27 -0.87 0.00 0.00 -2.06 0.00 0.00 59.70 56.50 3hub h MET 109 Cb 1.06 0.32 0.00 0.00 0.06 0.00 0.00 31.60 33.04 3hub h MET 109 CO 1.21 1.41 0.00 0.41 1.06 0.00 0.00 176.91 181.00 3hub n GLY 110 N 1.75 0.86 3.65 8.32 0.00 -1.26 -4.08 105.19 114.43 3hub n GLY 110 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3hub n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hub s ALA 111 N -2.62 -0.64 0.46 4.61 0.00 -1.20 -5.05 121.76 117.32 3hub s ALA 111 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3hub s ALA 111 Cb 0.00 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.10 3hub s ALA 111 CO 0.00 -0.90 0.16 -0.40 0.00 0.00 0.00 175.76 174.62 3hub n ASP 112 N -0.40 2.93 0.06 0.00 3.85 -1.26 -1.21 116.55 120.52 3hub n ASP 112 Ca -0.04 -2.82 -0.12 0.00 -0.71 0.00 0.00 54.79 51.10 3hub n ASP 112 Cb 0.61 0.16 -0.05 0.00 -1.35 0.00 0.00 41.12 40.49 3hub n ASP 112 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3hub h LEU 113 N 0.00 -0.91 -0.90 -2.12 5.85 -0.40 -1.89 115.31 114.94 3hub h LEU 113 Ca -0.34 0.12 0.25 0.00 0.84 0.00 0.00 57.88 58.75 3hub h LEU 113 Cb 1.12 0.37 -0.14 0.00 0.37 0.00 0.00 40.66 42.37 3hub h LEU 113 CO 0.55 -0.37 0.29 0.78 -0.34 0.00 0.00 178.44 179.35 3hub h ASN 114 N -0.45 0.07 0.14 1.25 2.35 -1.89 -1.60 115.58 115.45 3hub h ASN 114 Ca 0.06 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3hub h ASN 114 Cb 0.54 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3hub h ASN 114 CO -0.26 -0.16 0.00 0.59 -1.65 0.00 0.00 177.43 175.95 3hub n ASN 115 N -5.21 0.00 0.00 5.81 4.13 -0.72 -1.15 115.26 118.13 3hub n ASN 115 Ca 0.23 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.50 3hub n ASN 115 Cb 0.74 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 3hub n ASN 115 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hub n ILE 116 N -1.21 0.00 -0.09 2.41 0.13 -0.69 -4.84 119.36 115.07 3hub n ILE 116 Ca 0.06 -0.14 -0.12 0.00 -1.10 0.00 0.00 62.75 61.44 3hub n ILE 116 Cb 0.07 0.61 -0.09 0.00 -0.84 0.00 0.00 39.64 39.40 3hub n ILE 116 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 3hub n VAL 117 N -0.94 1.03 -3.92 9.51 0.24 -0.70 -5.05 118.33 118.50 3hub n VAL 117 Ca 0.00 -0.42 -0.26 0.00 -2.04 0.00 0.00 64.34 61.62 3hub n VAL 117 Cb 0.00 -1.09 -0.00 0.00 -1.47 0.00 0.00 33.84 31.27 3hub n VAL 117 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3hub n LYS 118 N -2.98 -3.98 -1.55 7.34 5.02 -0.30 -1.58 118.16 120.13 3hub n LYS 118 Ca -0.31 0.48 -0.19 0.00 -2.02 0.00 0.00 58.31 56.27 3hub n LYS 118 Cb 0.85 -4.89 -0.08 0.00 -0.02 0.00 0.00 35.03 30.89 3hub n LYS 118 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hub n SER 119 N -2.94 -5.57 -4.91 4.39 7.64 -1.26 -4.98 113.62 105.99 3hub n SER 119 Ca -0.21 0.47 -0.32 0.00 1.01 0.00 0.00 58.87 59.82 3hub n SER 119 Cb 0.64 -4.75 -0.05 0.00 -1.01 0.00 0.00 64.21 59.04 3hub n SER 119 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hub s GLN 120 N -3.62 3.49 0.22 1.43 -1.52 -0.61 -4.67 119.66 114.39 3hub s GLN 120 Ca 0.00 -0.28 -0.31 0.00 -1.95 0.00 0.00 55.36 52.81 3hub s GLN 120 Cb 0.00 -3.04 -0.14 0.00 -0.22 0.00 0.00 33.01 29.61 3hub s GLN 120 CO 0.00 0.62 1.30 1.63 -0.25 0.00 0.00 175.29 178.59 3hub n LYS 121 N 0.63 1.72 -3.96 2.91 5.02 -1.26 -4.48 118.16 118.74 3hub n LYS 121 Ca -0.08 0.61 -0.21 0.00 -2.02 0.00 0.00 58.31 56.61 3hub n LYS 121 Cb 0.52 -2.20 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 3hub n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hub s LEU 122 N 0.26 4.32 0.60 -0.35 1.02 -0.17 -4.96 118.68 119.39 3hub s LEU 122 Ca 0.69 0.08 -0.17 0.00 0.02 0.00 0.00 54.13 54.75 3hub s LEU 122 Cb -0.71 -2.87 -0.03 0.00 0.02 0.00 0.00 46.19 42.59 3hub s LEU 122 CO 0.51 -0.06 1.09 0.42 0.02 0.00 0.00 176.35 178.32 3hub s THR 123 N -1.97 3.50 0.32 5.49 -4.23 -1.26 -4.76 115.64 112.74 3hub s THR 123 Ca 0.34 0.77 0.07 0.00 -1.18 0.00 0.00 61.69 61.69 3hub s THR 123 Cb -0.09 -3.28 0.31 0.00 1.34 0.00 0.00 72.50 70.78 3hub s THR 123 CO 0.29 -0.37 1.82 -0.78 -0.54 0.00 0.00 174.62 175.04 3hub h ASP 124 N 0.55 0.75 -0.47 3.99 3.58 -1.96 -0.22 116.42 122.64 3hub h ASP 124 Ca -0.48 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 56.99 3hub h ASP 124 Cb 1.24 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 3hub h ASP 124 CO 0.56 0.33 0.11 0.44 -2.88 0.00 0.00 179.24 177.81 3hub h ASP 125 N 0.77 0.72 -0.57 2.28 5.19 -2.00 -0.63 116.42 122.17 3hub h ASP 125 Ca 0.52 -0.23 -0.11 0.00 -0.62 0.00 0.00 57.03 56.59 3hub h ASP 125 Cb 0.80 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 3hub h ASP 125 CO -0.29 0.76 -0.06 -0.74 -3.12 0.00 0.00 179.24 175.79 3hub h HIS 126 N 0.64 1.16 -0.90 4.55 2.76 -1.76 -2.08 115.15 119.52 3hub h HIS 126 Ca 0.15 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 3hub h HIS 126 Cb 0.33 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 3hub h HIS 126 CO 0.02 1.05 0.48 0.28 -1.30 0.00 0.00 177.93 178.46 3hub h VAL 127 N 0.93 1.26 0.11 5.26 2.07 -0.94 -0.86 116.25 124.09 3hub h VAL 127 Ca 0.15 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hub h VAL 127 Cb 0.63 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3hub h VAL 127 CO 0.04 0.30 -0.12 1.56 0.02 0.00 0.00 177.57 179.37 3hub h GLN 128 N 1.26 -0.25 -0.17 1.57 4.20 -0.78 -1.66 115.11 119.27 3hub h GLN 128 Ca 0.31 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.09 3hub h GLN 128 Cb 0.04 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 3hub h GLN 128 CO -0.05 -0.17 -0.18 0.35 -0.67 0.00 0.00 178.83 178.11 3hub h PHE 129 N -0.26 -0.47 -0.58 2.96 3.57 -1.27 0.88 116.94 121.77 3hub h PHE 129 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3hub h PHE 129 Cb 0.25 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 3hub h PHE 129 CO -0.12 -0.26 0.26 -0.07 -2.23 0.00 0.00 178.31 175.89 3hub h LEU 130 N -0.21 0.77 -0.07 0.59 3.38 -1.14 -2.69 115.31 115.94 3hub h LEU 130 Ca 0.11 -0.15 -0.25 0.00 0.09 0.00 0.00 57.88 57.69 3hub h LEU 130 Cb 0.38 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.94 3hub h LEU 130 CO -0.30 0.71 -0.98 0.40 0.09 0.00 0.00 178.44 178.36 3hub h ILE 131 N 0.79 1.31 -0.55 1.22 1.08 -1.23 -2.75 117.51 117.38 3hub h ILE 131 Ca 0.20 -2.26 0.10 0.00 -0.39 0.00 0.00 64.86 62.51 3hub h ILE 131 Cb 0.15 2.34 -0.11 0.00 -3.07 0.00 0.00 36.82 36.13 3hub h ILE 131 CO -0.02 0.70 -0.29 0.22 -0.69 0.00 0.00 178.15 178.06 3hub h TYR 132 N 0.37 -0.79 -0.52 1.37 3.20 -0.83 -0.51 116.97 119.26 3hub h TYR 132 Ca -0.11 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3hub h TYR 132 Cb 1.62 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 40.30 3hub h TYR 132 CO 0.09 -0.36 0.09 1.96 -1.64 0.00 0.00 178.16 178.30 3hub h GLN 133 N -0.15 0.85 -0.43 1.82 4.20 -1.36 0.52 115.11 120.56 3hub h GLN 133 Ca 0.23 -0.23 0.06 0.00 0.06 0.00 0.00 58.65 58.78 3hub h GLN 133 Cb 0.53 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 3hub h GLN 133 CO -0.63 0.83 0.11 0.82 -0.67 0.00 0.00 178.83 179.29 3hub h ILE 134 N 0.73 0.81 -0.15 2.54 2.04 -1.19 -1.27 117.51 121.03 3hub h ILE 134 Ca 0.16 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.80 3hub h ILE 134 Cb 0.39 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3hub h ILE 134 CO 0.01 0.05 -0.47 -0.07 0.00 0.00 0.00 178.15 177.66 3hub h LEU 135 N 0.26 0.40 -0.37 1.44 3.38 -0.79 0.12 115.31 119.74 3hub h LEU 135 Ca 0.21 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3hub h LEU 135 Cb 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3hub h LEU 135 CO -0.24 0.82 -0.00 -0.09 0.09 0.00 0.00 178.44 179.01 3hub h ARG 136 N 0.30 0.66 -0.42 1.13 2.43 -0.80 0.66 114.38 118.34 3hub h ARG 136 Ca 0.02 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.88 3hub h ARG 136 Cb 0.95 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 3hub h ARG 136 CO 0.08 0.76 -0.13 0.78 -1.51 0.00 0.00 179.97 179.95 3hub h GLY 137 N 0.48 0.90 2.00 2.80 0.00 -0.89 -2.86 103.07 105.49 3hub h GLY 137 Ca 0.11 -0.76 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 3hub h GLY 137 CO 0.02 0.69 -0.47 -2.00 0.00 0.00 0.00 176.54 174.79 3hub h LEU 138 N 0.65 0.00 -0.67 3.11 5.85 -0.69 -1.39 115.31 122.17 3hub h LEU 138 Ca 0.10 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3hub h LEU 138 Cb 0.67 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3hub h LEU 138 CO 0.05 0.47 0.30 0.50 -0.34 0.00 0.00 178.44 179.41 3hub h LYS 139 N 0.00 0.99 0.60 1.25 3.64 -0.75 -1.36 116.57 120.93 3hub h LYS 139 Ca -0.00 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 3hub h LYS 139 Cb 0.88 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3hub h LYS 139 CO 0.06 0.80 -0.29 -0.92 -2.27 0.00 0.00 179.45 176.84 3hub h TYR 140 N 0.95 -0.74 -0.76 1.91 3.20 -1.24 -1.98 116.97 118.30 3hub h TYR 140 Ca 0.23 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.23 3hub h TYR 140 Cb 0.16 0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.58 3hub h TYR 140 CO 0.01 -0.41 0.29 0.82 -1.64 0.00 0.00 178.16 177.23 3hub h ILE 141 N -1.01 0.62 0.00 1.81 2.04 -1.29 -2.18 117.51 117.50 3hub h ILE 141 Ca -0.08 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3hub h ILE 141 Cb 0.67 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3hub h ILE 141 CO 0.13 0.08 -0.31 0.45 0.00 0.00 0.00 178.15 178.50 3hub h HIS 142 N 0.41 0.00 0.00 1.37 3.86 -1.18 -2.37 115.15 117.24 3hub h HIS 142 Ca 0.43 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.57 3hub h HIS 142 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 3hub h HIS 142 CO -0.18 0.31 -0.30 0.66 0.86 0.00 0.00 177.93 179.28 3hub h SER 143 N 0.00 0.00 -0.01 2.45 4.64 -0.71 -2.00 113.55 117.92 3hub h SER 143 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hub h SER 143 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3hub h SER 143 CO 0.04 0.30 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 3hub n ALA 144 N -2.21 2.62 -2.24 5.18 0.00 -0.93 -4.61 120.51 118.32 3hub n ALA 144 Ca 0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 3hub n ALA 144 Cb 0.55 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 3hub n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hub n ASP 145 N -0.74 -5.22 -4.89 0.00 4.64 -0.75 -2.44 116.55 107.16 3hub n ASP 145 Ca 0.17 0.04 -0.35 0.00 -1.38 0.00 0.00 54.79 53.27 3hub n ASP 145 Cb 0.10 -4.30 -0.05 0.00 -1.04 0.00 0.00 41.12 35.83 3hub n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hub s ILE 146 N -2.87 5.41 -0.19 5.18 1.01 -0.96 -5.00 121.20 123.78 3hub s ILE 146 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 3hub s ILE 146 Cb 0.00 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 3hub s ILE 146 CO 0.00 0.47 -0.02 -0.63 0.00 0.00 0.00 174.94 174.76 3hub s ILE 147 N -1.19 3.79 0.04 2.92 1.01 -1.26 -3.95 121.20 122.57 3hub s ILE 147 Ca 0.22 -0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.22 3hub s ILE 147 Cb -0.13 -2.70 -0.17 0.00 0.01 0.00 0.00 42.46 39.47 3hub s ILE 147 CO 0.12 0.44 1.43 -0.74 0.00 0.00 0.00 174.94 176.19 3hub h HIS 148 N 7.46 -0.53 0.00 3.97 -0.00 -1.87 -3.28 115.15 120.89 3hub h HIS 148 Ca -0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 3hub h HIS 148 Cb 1.18 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.77 3hub h HIS 148 CO 0.58 -0.25 0.00 0.54 -0.00 0.00 0.00 177.93 178.80 3hub n ARG 149 N -5.27 0.00 -2.71 5.26 1.74 -1.26 -3.51 116.66 110.91 3hub n ARG 149 Ca -0.11 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 3hub n ARG 149 Cb 0.28 -1.13 0.04 0.00 -1.02 0.00 0.00 32.46 30.63 3hub n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hub n ASP 150 N 0.00 1.00 -4.67 0.55 4.64 -1.26 -4.92 116.55 111.89 3hub n ASP 150 Ca 0.00 -2.72 -0.43 0.00 -1.38 0.00 0.00 54.79 50.26 3hub n ASP 150 Cb 0.00 -0.35 -0.02 0.00 -1.04 0.00 0.00 41.12 39.71 3hub n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3hub s LEU 151 N -3.06 4.18 0.20 -2.67 1.43 -1.26 -4.85 118.68 112.64 3hub s LEU 151 Ca 0.27 1.60 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 3hub s LEU 151 Cb 0.44 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 43.13 3hub s LEU 151 CO 0.02 -0.68 0.45 -1.59 0.23 0.00 0.00 176.35 174.78 3hub s LYS 152 N 3.07 1.35 0.40 1.70 -2.85 -1.26 -4.74 119.74 117.40 3hub s LYS 152 Ca 0.51 -1.02 0.13 0.00 -1.00 0.00 0.00 55.97 54.58 3hub s LYS 152 Cb -0.20 0.47 0.95 0.00 -2.06 0.00 0.00 37.83 37.00 3hub s LYS 152 CO 0.13 -0.55 1.92 -1.35 0.10 0.00 0.00 175.35 175.60 3hub h PRO 153 N 2.31 0.51 0.00 1.78 0.11 -1.94 -1.66 132.00 133.11 3hub h PRO 153 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hub h PRO 153 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hub h PRO 153 CO 0.40 0.34 0.00 0.66 -0.21 0.00 0.00 178.00 179.19 3hub h SER 154 N 0.52 0.00 -0.63 -2.05 4.64 -1.97 -2.25 113.55 111.82 3hub h SER 154 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3hub h SER 154 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3hub h SER 154 CO -0.14 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.41 3hub n ASN 155 N -2.40 3.49 -3.91 4.97 5.03 -0.63 -4.77 115.26 117.04 3hub n ASN 155 Ca 0.00 -2.04 -0.30 0.00 0.87 0.00 0.00 54.58 53.11 3hub n ASN 155 Cb 0.16 -0.44 -0.15 0.00 -1.02 0.00 0.00 39.78 38.33 3hub n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hub s LEU 156 N -1.07 2.76 0.05 3.41 1.43 -0.89 -0.61 118.68 123.77 3hub s LEU 156 Ca 0.43 -1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 3hub s LEU 156 Cb 0.23 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 3hub s LEU 156 CO 0.28 -0.29 1.01 0.00 0.23 0.00 0.00 176.35 177.58 3hub s ALA 157 N 1.38 3.23 -0.02 4.21 0.00 -0.29 -0.59 121.76 129.68 3hub s ALA 157 Ca -0.01 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 52.55 3hub s ALA 157 Cb -0.19 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.63 3hub s ALA 157 CO -0.09 -0.19 0.03 0.08 0.00 0.00 0.00 175.76 175.59 3hub s VAL 158 N 0.62 -0.06 0.72 0.00 1.01 -0.35 -0.76 120.40 121.59 3hub s VAL 158 Ca 0.51 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 3hub s VAL 158 Cb -0.23 -0.08 0.15 0.00 0.00 0.00 0.00 36.38 36.22 3hub s VAL 158 CO 0.29 0.09 0.99 -0.46 0.00 0.00 0.00 175.10 176.01 3hub n ASN 159 N 4.19 0.79 0.25 3.32 0.23 -0.58 -3.23 115.26 120.23 3hub n ASN 159 Ca -0.28 -1.79 0.09 0.00 -0.53 0.00 0.00 54.58 52.07 3hub n ASN 159 Cb 0.50 -0.69 0.64 0.00 -2.08 0.00 0.00 39.78 38.15 3hub n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3hub h GLU 160 N 0.00 0.00 -0.02 -3.83 5.08 -1.90 0.16 114.58 114.07 3hub h GLU 160 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3hub h GLU 160 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3hub h GLU 160 CO 0.30 0.13 0.00 -0.25 -1.00 0.00 0.00 179.01 178.19 3hub n ASP 161 N -4.01 0.21 -1.35 1.42 10.43 -1.26 -4.89 116.55 117.11 3hub n ASP 161 Ca -0.02 -1.47 -0.15 0.00 2.57 0.00 0.00 54.79 55.72 3hub n ASP 161 Cb 0.22 -0.01 -0.04 0.00 1.84 0.00 0.00 41.12 43.12 3hub n ASP 161 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3hub n SER 162 N -0.64 -4.69 -4.74 -2.24 7.64 0.57 -4.98 113.62 104.54 3hub n SER 162 Ca 0.14 0.23 -0.40 0.00 1.01 0.00 0.00 58.87 59.84 3hub n SER 162 Cb 0.10 -3.62 -0.05 0.00 -1.01 0.00 0.00 64.21 59.62 3hub n SER 162 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3hub s GLU 163 N -3.81 4.80 -0.02 1.43 2.02 -1.26 -4.81 118.70 117.05 3hub s GLU 163 Ca 0.00 1.50 0.04 0.00 0.02 0.00 0.00 54.97 56.53 3hub s GLU 163 Cb 0.00 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 3hub s GLU 163 CO 0.00 0.42 -0.13 -1.17 0.02 0.00 0.00 175.26 174.40 3hub s LEU 164 N -0.88 1.95 -0.01 1.80 0.20 -1.26 -1.53 118.68 118.95 3hub s LEU 164 Ca 0.43 -0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.06 3hub s LEU 164 Cb -0.26 -0.69 -0.01 0.00 -0.43 0.00 0.00 46.19 44.80 3hub s LEU 164 CO 0.32 0.13 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.81 3hub s LYS 165 N -0.12 1.36 -0.03 1.98 1.02 0.06 -4.28 119.74 119.73 3hub s LYS 165 Ca 0.02 -0.60 -0.25 0.00 0.02 0.00 0.00 55.97 55.15 3hub s LYS 165 Cb -0.07 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 3hub s LYS 165 CO 0.00 0.36 0.77 0.42 -0.92 0.00 0.00 175.35 175.98 3hub s ILE 166 N -0.40 4.94 0.25 2.17 1.01 -0.28 -1.13 121.20 127.76 3hub s ILE 166 Ca 0.06 1.61 0.10 0.00 0.00 0.00 0.00 60.65 62.42 3hub s ILE 166 Cb -0.06 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3hub s ILE 166 CO -0.01 0.26 -0.07 -1.48 0.00 0.00 0.00 174.94 173.64 3hub s LEU 167 N 0.64 3.00 -0.38 2.97 2.34 0.22 -1.52 118.68 125.95 3hub s LEU 167 Ca 0.41 -0.72 -0.02 0.00 0.06 0.00 0.00 54.13 53.86 3hub s LEU 167 Cb -0.19 -1.56 0.00 0.00 -0.56 0.00 0.00 46.19 43.88 3hub s LEU 167 CO 0.21 0.04 0.22 0.47 -1.06 0.00 0.00 176.35 176.22 3hub n ASP 168 N -0.59 -2.88 -4.43 1.48 8.00 -1.26 -4.82 116.55 112.05 3hub n ASP 168 Ca -0.07 -0.10 -0.44 0.00 0.71 0.00 0.00 54.79 54.89 3hub n ASP 168 Cb 0.58 -1.66 -0.03 0.00 -0.02 0.00 0.00 41.12 39.99 3hub n ASP 168 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hub s PHE 169 N -2.85 3.04 0.00 1.24 -0.12 -1.26 -4.95 117.98 113.08 3hub s PHE 169 Ca 0.11 -1.15 0.00 0.00 -0.05 0.00 0.00 56.93 55.84 3hub s PHE 169 Cb -0.05 -4.19 0.00 0.00 -0.63 0.00 0.00 43.02 38.15 3hub s PHE 169 CO 0.13 -1.45 0.00 0.41 -0.05 0.00 0.00 175.22 174.26 3hub n GLY 170 N 5.29 -0.02 0.00 1.99 0.00 -1.23 -4.81 105.19 106.41 3hub n GLY 170 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hub n GLY 170 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hub n THR 185 N 0.00 0.00 0.75 2.61 5.66 -1.26 -4.59 114.28 117.45 3hub n THR 185 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 3hub n THR 185 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 3hub n THR 185 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3hub n ARG 186 N 0.00 1.59 0.30 1.09 1.85 -1.26 -4.67 116.66 115.56 3hub n ARG 186 Ca 0.00 -1.00 0.20 0.00 -1.00 0.00 0.00 57.85 56.04 3hub n ARG 186 Cb 0.00 -1.31 0.95 0.00 -1.05 0.00 0.00 32.46 31.04 3hub n ARG 186 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 3hub h TRP 187 N 2.25 0.00 -0.01 2.89 6.55 -1.93 -2.94 115.95 122.76 3hub h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3hub h TRP 187 Cb 0.62 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 3hub h TRP 187 CO 0.00 0.00 -0.46 0.66 -1.05 0.00 0.00 178.44 177.59 3hub n TYR 188 N -3.03 0.00 -2.44 0.49 4.02 -1.26 -4.64 117.16 110.30 3hub n TYR 188 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 3hub n TYR 188 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 3hub n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3hub s ARG 189 N -2.21 4.47 0.55 -0.72 0.52 -1.11 -3.56 118.95 116.88 3hub s ARG 189 Ca 0.14 1.76 -0.20 0.00 -0.52 0.00 0.00 55.73 56.91 3hub s ARG 189 Cb 0.15 -3.33 -0.06 0.00 0.52 0.00 0.00 34.95 32.23 3hub s ARG 189 CO 0.51 -0.18 1.06 0.00 0.02 0.00 0.00 175.30 176.71 3hub n ALA 190 N 3.50 0.48 -0.18 2.13 0.00 -1.26 -4.79 120.51 120.39 3hub n ALA 190 Ca 0.07 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.67 3hub n ALA 190 Cb 0.46 -2.15 0.37 0.00 0.00 0.00 0.00 19.45 18.13 3hub n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hub h PRO 191 N 0.92 0.69 0.00 0.00 0.13 -1.95 -1.55 132.00 130.24 3hub h PRO 191 Ca -0.48 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 3hub h PRO 191 Cb 1.35 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3hub h PRO 191 CO 0.53 0.46 -0.28 1.05 -0.23 0.00 0.00 178.00 179.53 3hub h GLU 192 N 0.71 0.00 -0.01 0.86 9.09 -1.94 -0.31 114.58 122.99 3hub h GLU 192 Ca 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.71 3hub h GLU 192 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 3hub h GLU 192 CO -0.11 0.28 -0.07 0.82 0.05 0.00 0.00 179.01 179.98 3hub h ILE 193 N 0.00 1.53 -0.96 -1.06 1.08 -1.65 -1.76 117.51 114.69 3hub h ILE 193 Ca -0.00 -1.67 0.20 0.00 -0.39 0.00 0.00 64.86 63.00 3hub h ILE 193 Cb 0.69 2.62 -0.18 0.00 -3.07 0.00 0.00 36.82 36.87 3hub h ILE 193 CO 0.04 0.44 -0.22 0.24 -0.69 0.00 0.00 178.15 177.96 3hub h MET 194 N -0.59 0.00 -0.07 2.37 2.86 -1.32 -2.13 114.93 116.05 3hub h MET 194 Ca -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hub h MET 194 Cb 0.76 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3hub h MET 194 CO 0.01 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.27 3hub n LEU 195 N -5.60 1.31 -3.00 1.22 4.77 -0.14 -4.95 117.00 110.61 3hub n LEU 195 Ca 0.16 -0.49 -0.21 0.00 -0.03 0.00 0.00 56.01 55.43 3hub n LEU 195 Cb 0.50 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 3hub n LEU 195 CO -0.10 0.24 0.07 -3.20 -1.33 0.00 0.00 177.39 173.08 3hub n ASN 196 N 0.05 -5.94 -4.61 -1.43 5.15 -0.80 -4.95 115.26 102.74 3hub n ASN 196 Ca 0.18 -0.34 -0.43 0.00 -0.60 0.00 0.00 54.58 53.39 3hub n ASN 196 Cb 0.30 -4.70 -0.00 0.00 -0.53 0.00 0.00 39.78 34.85 3hub n ASN 196 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 3hub n TRP 197 N -4.57 1.28 -0.15 1.20 5.03 -0.73 -4.92 117.44 114.59 3hub n TRP 197 Ca -0.07 0.62 -0.10 0.00 3.03 0.00 0.00 57.50 60.97 3hub n TRP 197 Cb 0.60 -2.25 -0.01 0.00 -1.03 0.00 0.00 31.31 28.62 3hub n TRP 197 CO 0.00 0.00 0.00 1.98 -0.03 0.00 0.00 177.69 179.64 3hub h MET 198 N 1.81 0.75 -6.22 -0.99 1.85 -1.92 -3.44 114.93 106.78 3hub h MET 198 Ca -0.43 -0.24 -0.59 0.00 -0.61 0.00 0.00 59.70 57.83 3hub h MET 198 Cb 1.33 -0.07 -0.08 0.00 0.43 0.00 0.00 31.60 33.22 3hub h MET 198 CO 0.59 0.83 -0.59 -1.01 -0.40 0.00 0.00 176.91 176.33 3hub s HIS 199 N -5.00 3.11 0.15 1.39 3.76 -1.26 -5.13 115.29 112.31 3hub s HIS 199 Ca -0.13 -0.02 -0.23 0.00 -0.15 0.00 0.00 55.06 54.54 3hub s HIS 199 Cb 0.10 -1.51 0.07 0.00 1.11 0.00 0.00 32.58 32.35 3hub s HIS 199 CO 0.80 0.52 0.58 1.52 -0.85 0.00 0.00 174.74 177.31 3hub s TYR 200 N -1.68 -0.51 0.39 1.40 -0.85 -1.26 -5.01 117.35 109.82 3hub s TYR 200 Ca 0.30 0.30 0.03 0.00 -0.52 0.00 0.00 57.07 57.19 3hub s TYR 200 Cb -0.10 0.53 0.03 0.00 0.38 0.00 0.00 41.96 42.80 3hub s TYR 200 CO 0.22 -0.83 0.28 0.27 -1.52 0.00 0.00 175.55 173.97 3hub n ASN 201 N -0.34 2.29 0.29 -0.18 6.94 -1.26 -5.00 115.26 117.99 3hub n ASN 201 Ca -0.17 -2.36 0.15 0.00 -0.02 0.00 0.00 54.58 52.18 3hub n ASN 201 Cb 0.65 -0.01 0.90 0.00 -2.36 0.00 0.00 39.78 38.95 3hub n ASN 201 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 3hub h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.95 -1.75 115.11 111.77 3hub h GLN 202 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3hub h GLN 202 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3hub h GLN 202 CO 0.39 0.03 0.00 0.25 -0.67 0.00 0.00 178.83 178.83 3hub n THR 203 N -3.74 0.16 -0.18 -0.54 -2.24 -1.26 -1.15 114.28 105.34 3hub n THR 203 Ca -0.03 0.04 0.22 0.00 -2.27 0.00 0.00 64.05 62.01 3hub n THR 203 Cb 0.12 -0.64 0.61 0.00 -2.10 0.00 0.00 70.33 68.32 3hub n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3hub h VAL 204 N 0.00 0.65 0.12 2.28 -1.51 -1.67 -2.25 116.25 113.87 3hub h VAL 204 Ca 0.00 -0.07 -0.27 0.00 -1.23 0.00 0.00 66.70 65.13 3hub h VAL 204 Cb 0.18 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 3hub h VAL 204 CO 0.00 0.04 -1.25 0.44 -1.23 0.00 0.00 177.57 175.57 3hub h ASP 205 N 0.21 0.38 -0.79 4.19 3.45 -1.38 -3.04 116.42 119.45 3hub h ASP 205 Ca 0.41 -0.42 0.12 0.00 0.43 0.00 0.00 57.03 57.58 3hub h ASP 205 Cb 1.30 -0.12 -0.08 0.00 -0.56 0.00 0.00 39.33 39.86 3hub h ASP 205 CO -0.09 1.33 0.40 0.40 -1.57 0.00 0.00 179.24 179.71 3hub h ILE 206 N 0.07 0.79 -0.53 0.35 1.08 -1.60 -1.32 117.51 116.34 3hub h ILE 206 Ca -0.13 -0.21 0.05 0.00 -0.39 0.00 0.00 64.86 64.17 3hub h ILE 206 Cb 1.96 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.77 3hub h ILE 206 CO 0.19 0.11 0.26 -0.25 -0.69 0.00 0.00 178.15 177.78 3hub h TRP 207 N 0.63 0.48 -0.60 1.37 2.91 -1.40 -1.45 115.95 117.89 3hub h TRP 207 Ca 0.41 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.41 3hub h TRP 207 Cb 0.51 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 3hub h TRP 207 CO -0.10 0.22 0.23 0.77 -1.03 0.00 0.00 178.44 178.53 3hub h SER 208 N 0.51 0.84 -0.81 2.65 0.02 -1.38 -2.78 113.55 112.61 3hub h SER 208 Ca 0.24 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3hub h SER 208 Cb 0.16 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3hub h SER 208 CO -0.17 0.79 0.46 0.58 -1.14 0.00 0.00 176.83 177.35 3hub h VAL 209 N 0.84 1.24 -0.91 2.27 2.07 -0.93 -1.66 116.25 119.17 3hub h VAL 209 Ca 0.20 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hub h VAL 209 Cb 0.22 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3hub h VAL 209 CO -0.01 0.26 0.58 1.23 0.02 0.00 0.00 177.57 179.64 3hub h GLY 210 N 1.16 1.30 1.03 2.17 0.00 -1.18 0.20 103.07 107.75 3hub h GLY 210 Ca 0.29 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 3hub h GLY 210 CO -0.05 0.50 -0.25 0.00 0.00 0.00 0.00 176.54 176.73 3hub h ILE 212 N 0.61 0.49 -0.51 0.00 2.04 -1.19 -2.44 117.51 116.50 3hub h ILE 212 Ca 0.07 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3hub h ILE 212 Cb 0.82 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3hub h ILE 212 CO 0.07 0.04 0.24 -0.03 0.00 0.00 0.00 178.15 178.47 3hub h MET 213 N -0.80 0.46 0.02 2.37 4.05 -0.55 -0.82 114.93 119.67 3hub h MET 213 Ca -0.07 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 3hub h MET 213 Cb 0.57 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 3hub h MET 213 CO 0.11 0.30 -0.25 0.00 0.23 0.00 0.00 176.91 177.31 3hub h ALA 214 N 1.29 -0.35 -0.66 0.39 0.00 -0.94 -2.07 119.26 116.91 3hub h ALA 214 Ca 0.23 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3hub h ALA 214 Cb 0.16 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3hub h ALA 214 CO -0.17 -0.76 0.44 1.49 0.00 0.00 0.00 179.25 180.25 3hub h GLU 215 N -0.40 0.67 -0.71 0.00 4.81 -1.16 -1.10 114.58 116.70 3hub h GLU 215 Ca 0.06 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3hub h GLU 215 Cb 0.47 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3hub h GLU 215 CO -0.21 0.45 0.17 -0.07 -0.73 0.00 0.00 179.01 178.62 3hub h LEU 216 N 0.69 1.07 -0.21 1.64 3.38 -0.91 -1.35 115.31 119.62 3hub h LEU 216 Ca 0.28 -0.23 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 3hub h LEU 216 Cb 0.23 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hub h LEU 216 CO -0.09 1.02 -0.73 -0.07 0.09 0.00 0.00 178.44 178.66 3hub h LEU 217 N 1.07 0.92 0.00 1.67 3.38 -0.63 -0.44 115.31 121.27 3hub h LEU 217 Ca 0.22 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hub h LEU 217 Cb 0.37 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hub h LEU 217 CO 0.00 1.38 -1.59 0.35 0.09 0.00 0.00 178.44 178.67 3hub n THR 218 N -3.94 0.05 -0.03 0.22 -2.24 -0.49 -4.48 114.28 103.37 3hub n THR 218 Ca -0.07 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3hub n THR 218 Cb 0.72 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3hub n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hub n GLY 219 N 1.33 1.77 3.26 3.38 0.00 -0.52 -4.67 105.19 109.74 3hub n GLY 219 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3hub n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hub s ARG 220 N -0.39 1.49 0.16 1.61 1.70 -1.14 -4.36 118.95 118.01 3hub s ARG 220 Ca 0.00 -0.93 -0.34 0.00 -0.47 0.00 0.00 55.73 54.00 3hub s ARG 220 Cb 0.00 -1.58 -0.14 0.00 -0.57 0.00 0.00 34.95 32.66 3hub s ARG 220 CO 0.00 0.41 1.53 2.41 -1.08 0.00 0.00 175.30 178.57 3hub n THR 221 N 1.96 0.12 0.02 4.99 -1.04 -1.26 -3.62 114.28 115.45 3hub n THR 221 Ca -0.17 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.62 3hub n THR 221 Cb 0.53 -1.45 -0.10 0.00 -1.82 0.00 0.00 70.33 67.48 3hub n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hub h LEU 222 N 5.56 0.75 -6.24 -4.42 5.85 -1.93 -3.39 115.31 111.49 3hub h LEU 222 Ca -0.45 -0.73 -0.59 0.00 0.84 0.00 0.00 57.88 56.95 3hub h LEU 222 Cb 1.26 -0.23 -0.41 0.00 0.37 0.00 0.00 40.66 41.66 3hub h LEU 222 CO 0.86 1.38 -0.80 0.49 -0.34 0.00 0.00 178.44 180.03 3hub n PHE 223 N -4.03 1.81 -1.61 1.25 3.01 -1.26 -5.00 117.46 111.63 3hub n PHE 223 Ca -0.10 -3.89 -0.40 0.00 1.01 0.00 0.00 57.45 54.06 3hub n PHE 223 Cb 0.77 -0.42 -0.02 0.00 -0.01 0.00 0.00 39.48 39.81 3hub n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3hub n PRO 224 N 1.34 3.57 -1.73 -1.08 -0.04 -1.26 -4.75 135.00 131.05 3hub n PRO 224 Ca 0.26 -2.59 -0.42 0.00 -0.04 0.00 0.00 63.50 60.71 3hub n PRO 224 Cb 0.45 -2.93 -0.00 0.00 -0.04 0.00 0.00 33.50 30.98 3hub n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hub n GLY 225 N 3.42 0.84 0.00 0.55 0.00 -1.26 -4.91 105.19 103.83 3hub n GLY 225 Ca 0.66 0.31 0.14 0.00 0.00 0.00 0.00 46.02 47.13 3hub n GLY 225 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hub n THR 226 N 0.35 0.00 -3.77 2.61 -2.24 -1.26 -4.76 114.28 105.20 3hub n THR 226 Ca 0.03 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 3hub n THR 226 Cb 0.37 -0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.18 3hub n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hub n ASP 227 N -1.48 -1.01 0.12 3.42 3.85 -1.26 -5.02 116.55 115.18 3hub n ASP 227 Ca 0.08 -1.47 -0.13 0.00 -0.71 0.00 0.00 54.79 52.55 3hub n ASP 227 Cb 0.33 1.62 -0.07 0.00 -1.35 0.00 0.00 41.12 41.65 3hub n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3hub h HIS 228 N 1.62 -0.24 -0.27 2.11 3.86 -2.00 -1.66 115.15 118.57 3hub h HIS 228 Ca -0.16 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3hub h HIS 228 Cb 0.74 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 3hub h HIS 228 CO 0.00 -0.15 0.05 0.82 0.86 0.00 0.00 177.93 179.51 3hub h ILE 229 N -0.24 1.23 -0.55 2.45 2.04 -1.99 -2.53 117.51 117.91 3hub h ILE 229 Ca -0.01 -0.76 0.11 0.00 1.00 0.00 0.00 64.86 65.20 3hub h ILE 229 Cb 0.20 1.21 -0.11 0.00 -0.74 0.00 0.00 36.82 37.38 3hub h ILE 229 CO 0.02 0.24 -0.17 -0.78 0.00 0.00 0.00 178.15 177.46 3hub h ASP 230 N 0.26 -0.63 -0.24 1.72 3.58 -1.93 -1.34 116.42 117.85 3hub h ASP 230 Ca 0.08 0.18 0.06 0.00 0.42 0.00 0.00 57.03 57.77 3hub h ASP 230 Cb 0.32 0.38 -0.07 0.00 1.72 0.00 0.00 39.33 41.68 3hub h ASP 230 CO 0.00 -0.21 -0.26 1.56 -2.88 0.00 0.00 179.24 177.45 3hub h GLN 231 N -0.04 -0.26 -0.57 0.28 1.08 -1.24 -1.38 115.11 112.98 3hub h GLN 231 Ca 0.26 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.56 3hub h GLN 231 Cb 0.44 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.86 3hub h GLN 231 CO -0.59 -0.17 0.21 -0.07 -0.95 0.00 0.00 178.83 177.26 3hub h LEU 232 N -0.27 0.21 -0.69 1.46 3.38 -1.10 -0.40 115.31 117.90 3hub h LEU 232 Ca 0.13 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3hub h LEU 232 Cb 0.48 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3hub h LEU 232 CO -0.39 0.14 0.32 0.11 0.09 0.00 0.00 178.44 178.70 3hub h LYS 233 N 0.39 0.99 -0.77 1.13 1.57 -0.93 -0.87 116.57 118.08 3hub h LYS 233 Ca 0.28 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3hub h LYS 233 Cb 0.32 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3hub h LYS 233 CO -0.28 0.79 0.50 -0.07 -0.57 0.00 0.00 179.45 179.83 3hub h LEU 234 N 0.96 0.85 -0.19 2.94 3.38 -0.77 -2.21 115.31 120.26 3hub h LEU 234 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3hub h LEU 234 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hub h LEU 234 CO -0.03 0.60 0.07 0.40 0.09 0.00 0.00 178.44 179.58 3hub h ILE 235 N 1.00 1.17 -0.42 1.22 2.04 -0.82 -2.68 117.51 119.03 3hub h ILE 235 Ca 0.30 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3hub h ILE 235 Cb -0.05 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3hub h ILE 235 CO -0.09 0.16 0.09 -0.07 0.00 0.00 0.00 178.15 178.25 3hub h LEU 236 N 0.15 0.57 -1.15 1.44 3.38 -1.10 -0.30 115.31 118.30 3hub h LEU 236 Ca 0.06 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3hub h LEU 236 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hub h LEU 236 CO -0.00 0.58 -0.43 -0.09 0.09 0.00 0.00 178.44 178.59 3hub h ARG 237 N 0.61 0.00 0.00 1.13 2.43 -1.29 0.60 114.38 117.86 3hub h ARG 237 Ca 0.14 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3hub h ARG 237 Cb 0.24 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hub h ARG 237 CO -0.00 0.43 -0.15 1.25 -1.51 0.00 0.00 179.97 179.99 3hub h LEU 238 N 0.00 0.02 -3.46 3.80 5.85 -1.05 -3.41 115.31 117.06 3hub h LEU 238 Ca -0.00 -0.95 -0.01 0.00 0.84 0.00 0.00 57.88 57.76 3hub h LEU 238 Cb 0.75 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 3hub h LEU 238 CO 0.06 1.06 0.01 1.33 -0.34 0.00 0.00 178.44 180.55 3hub n VAL 239 N -4.58 2.61 -0.61 1.05 0.24 -0.18 -1.58 118.33 115.28 3hub n VAL 239 Ca -0.12 -1.60 0.08 0.00 -2.04 0.00 0.00 64.34 60.66 3hub n VAL 239 Cb 0.51 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.58 3hub n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hub n GLY 240 N 0.18 -2.23 3.85 7.63 0.00 0.21 -4.66 105.19 110.16 3hub n GLY 240 Ca 0.26 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3hub n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hub s THR 241 N -2.52 4.63 0.19 2.61 -4.23 -1.22 -4.64 115.64 110.45 3hub s THR 241 Ca 0.00 1.00 -0.32 0.00 -1.18 0.00 0.00 61.69 61.19 3hub s THR 241 Cb 0.00 -3.69 -0.12 0.00 1.34 0.00 0.00 72.50 70.03 3hub s THR 241 CO 0.00 -0.51 1.72 -0.81 -0.54 0.00 0.00 174.62 174.49 3hub n PRO 242 N -1.18 2.70 -1.01 3.99 -0.04 -1.26 -4.90 135.00 133.31 3hub n PRO 242 Ca 0.05 0.98 -0.23 0.00 -0.04 0.00 0.00 63.50 64.25 3hub n PRO 242 Cb 0.54 -2.82 0.18 0.00 -0.04 0.00 0.00 33.50 31.36 3hub n PRO 242 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hub n GLY 243 N 3.94 -2.32 0.36 0.55 0.00 -1.26 -4.73 105.19 101.74 3hub n GLY 243 Ca 0.16 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.69 3hub n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hub h ALA 244 N -2.36 1.47 -0.19 4.61 0.00 -1.99 -1.57 119.26 119.24 3hub h ALA 244 Ca -0.32 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3hub h ALA 244 Cb 0.96 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hub h ALA 244 CO 0.22 0.29 -0.14 1.49 0.00 0.00 0.00 179.25 181.11 3hub h GLU 245 N 1.05 0.43 -0.57 0.00 4.81 -2.00 -2.15 114.58 116.14 3hub h GLU 245 Ca 0.48 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3hub h GLU 245 Cb 0.39 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3hub h GLU 245 CO -0.24 0.76 0.25 1.25 -0.73 0.00 0.00 179.01 180.31 3hub h LEU 246 N 0.10 0.76 -1.56 1.64 5.85 -1.89 -2.89 115.31 117.31 3hub h LEU 246 Ca 0.04 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3hub h LEU 246 Cb 0.66 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3hub h LEU 246 CO 0.04 0.70 0.34 0.25 -0.34 0.00 0.00 178.44 179.43 3hub h LEU 247 N 0.77 0.49 -2.84 2.25 5.85 -1.18 0.94 115.31 121.60 3hub h LEU 247 Ca 0.19 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hub h LEU 247 Cb 0.15 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3hub h LEU 247 CO -0.02 0.34 -0.00 0.11 -0.34 0.00 0.00 178.44 178.53 3hub h LYS 248 N 0.57 0.00 -0.02 1.25 1.57 -1.17 -2.62 116.57 116.16 3hub h LYS 248 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3hub h LYS 248 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hub h LYS 248 CO -0.05 0.00 -0.03 1.63 -0.57 0.00 0.00 179.45 180.43 3hub n LYS 249 N -3.24 1.88 -2.82 3.15 5.02 0.32 -4.85 118.16 117.62 3hub n LYS 249 Ca -0.03 -1.33 -0.43 0.00 -2.02 0.00 0.00 58.31 54.50 3hub n LYS 249 Cb 0.08 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 3hub n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hub s ILE 250 N -2.04 4.48 0.03 -0.18 -1.09 -0.99 -4.95 121.20 116.46 3hub s ILE 250 Ca 0.33 0.79 -0.25 0.00 -2.23 0.00 0.00 60.65 59.29 3hub s ILE 250 Cb 0.20 -4.43 -0.18 0.00 -1.58 0.00 0.00 42.46 36.48 3hub s ILE 250 CO 0.34 -0.81 1.47 -1.28 -1.23 0.00 0.00 174.94 173.43 3hub h SER 251 N 9.03 -0.05 -2.76 3.58 0.87 -1.89 -3.45 113.55 118.87 3hub h SER 251 Ca -0.24 -0.24 -0.55 0.00 -1.23 0.00 0.00 61.79 59.54 3hub h SER 251 Cb 1.08 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 3hub h SER 251 CO 1.02 0.21 0.96 -0.55 -0.53 0.00 0.00 176.83 177.95 3hub s SER 252 N -5.39 6.76 0.24 6.23 0.15 -1.26 -4.93 113.70 115.51 3hub s SER 252 Ca -0.15 2.16 -0.04 0.00 0.70 0.00 0.00 55.95 58.62 3hub s SER 252 Cb 0.04 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 62.07 3hub s SER 252 CO 0.65 -0.83 1.79 1.05 1.20 0.00 0.00 173.24 177.10 3hub h GLU 253 N 8.60 1.00 -0.66 5.44 4.11 -1.99 -0.19 114.58 130.89 3hub h GLU 253 Ca -0.38 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 58.85 3hub h GLU 253 Cb 1.17 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3hub h GLU 253 CO 0.93 0.87 0.42 0.66 0.07 0.00 0.00 179.01 181.96 3hub h SER 254 N 0.96 0.78 -0.45 3.06 4.64 -1.99 0.12 113.55 120.66 3hub h SER 254 Ca 0.21 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 3hub h SER 254 Cb 0.30 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3hub h SER 254 CO -0.00 0.58 -0.12 0.00 -0.87 0.00 0.00 176.83 176.41 3hub h ALA 255 N 1.23 0.62 0.30 5.18 0.00 -1.88 -1.70 119.26 123.00 3hub h ALA 255 Ca 0.24 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hub h ALA 255 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hub h ALA 255 CO -0.05 0.53 -0.29 0.00 0.00 0.00 0.00 179.25 179.44 3hub h ARG 256 N 0.71 -0.59 -0.62 0.00 3.08 -0.40 -1.05 114.38 115.50 3hub h ARG 256 Ca 0.11 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.31 3hub h ARG 256 Cb 0.67 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.78 3hub h ARG 256 CO 0.05 -0.40 0.19 -0.91 -1.07 0.00 0.00 179.97 177.83 3hub h ASN 257 N -0.62 0.13 -0.29 7.04 -0.26 -0.78 -1.03 115.58 119.78 3hub h ASN 257 Ca -0.01 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3hub h ASN 257 Cb 0.56 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 3hub h ASN 257 CO -0.05 0.07 0.19 0.22 -1.06 0.00 0.00 177.43 176.80 3hub h TYR 258 N 0.34 0.35 -0.20 1.19 3.20 -1.01 -2.49 116.97 118.35 3hub h TYR 258 Ca 0.32 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3hub h TYR 258 Cb 0.45 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3hub h TYR 258 CO -0.20 0.22 0.13 0.82 -1.64 0.00 0.00 178.16 177.49 3hub h ILE 259 N 0.38 1.06 -0.59 1.81 2.04 0.02 -2.95 117.51 119.29 3hub h ILE 259 Ca 0.11 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3hub h ILE 259 Cb -0.04 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3hub h ILE 259 CO -0.03 0.06 0.15 1.56 0.00 0.00 0.00 178.15 179.90 3hub h GLN 260 N 0.27 0.94 0.00 2.37 4.20 -1.28 1.00 115.11 122.60 3hub h GLN 260 Ca 0.07 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3hub h GLN 260 Cb -0.02 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3hub h GLN 260 CO -0.02 0.86 0.02 -1.13 -0.67 0.00 0.00 178.83 177.90 3hub n SER 261 N -4.37 0.00 -4.81 1.46 3.41 -0.94 -4.70 113.62 103.66 3hub n SER 261 Ca 0.03 0.28 -0.33 0.00 -0.26 0.00 0.00 58.87 58.59 3hub n SER 261 Cb 0.23 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 3hub n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hub s LEU 262 N -2.53 3.90 -0.43 1.04 1.43 0.34 -5.01 118.68 117.43 3hub s LEU 262 Ca 0.00 1.76 -0.28 0.00 -1.03 0.00 0.00 54.13 54.58 3hub s LEU 262 Cb 0.00 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.70 3hub s LEU 262 CO 0.00 -0.50 1.08 0.28 0.23 0.00 0.00 176.35 177.44 3hub s THR 263 N -2.13 4.35 0.42 5.49 -1.32 -1.26 -5.03 115.64 116.15 3hub s THR 263 Ca 0.64 1.29 -0.23 0.00 -1.21 0.00 0.00 61.69 62.18 3hub s THR 263 Cb -0.11 -4.51 -0.12 0.00 -1.51 0.00 0.00 72.50 66.24 3hub s THR 263 CO 0.16 -0.82 0.70 0.00 -2.21 0.00 0.00 174.62 172.45 3hub n GLN 264 N 7.43 0.80 -3.67 7.08 6.02 -1.26 -4.93 117.38 128.84 3hub n GLN 264 Ca 0.11 0.29 -0.15 0.00 -0.01 0.00 0.00 57.00 57.24 3hub n GLN 264 Cb 0.48 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 3hub n GLN 264 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hub s MET 265 N -1.73 0.83 0.37 -1.09 0.23 -1.26 -5.01 119.30 111.65 3hub s MET 265 Ca 0.64 -0.08 -0.25 0.00 -1.03 0.00 0.00 55.69 54.96 3hub s MET 265 Cb -0.60 0.38 -0.09 0.00 -1.53 0.00 0.00 34.83 32.99 3hub s MET 265 CO 0.57 -0.25 1.07 -1.25 -2.03 0.00 0.00 175.02 173.13 3hub s PRO 266 N -1.48 4.26 0.18 3.16 0.04 -1.26 -3.46 135.00 136.45 3hub s PRO 266 Ca -0.11 1.60 -0.33 0.00 0.04 0.00 0.00 61.00 62.20 3hub s PRO 266 Cb -0.03 -2.70 -0.14 0.00 0.04 0.00 0.00 34.50 31.67 3hub s PRO 266 CO 0.05 -0.07 1.43 1.17 0.04 0.00 0.00 177.00 179.61 3hub n LYS 267 N 0.23 1.86 -2.25 4.56 4.81 -1.26 -4.26 118.16 121.85 3hub n LYS 267 Ca 0.04 0.67 -0.36 0.00 -0.87 0.00 0.00 58.31 57.78 3hub n LYS 267 Cb 0.48 -2.34 -0.00 0.00 0.02 0.00 0.00 35.03 33.19 3hub n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3hub s MET 268 N 0.16 3.47 -0.18 1.64 -1.94 -0.61 -4.92 119.30 116.92 3hub s MET 268 Ca 0.74 1.68 -0.29 0.00 -1.71 0.00 0.00 55.69 56.11 3hub s MET 268 Cb -0.72 -2.14 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 3hub s MET 268 CO 0.45 -0.76 1.16 1.21 -0.01 0.00 0.00 175.02 177.07 3hub s ASN 269 N -1.62 7.02 0.42 3.03 3.84 -1.26 -4.93 114.94 121.44 3hub s ASN 269 Ca 0.70 1.57 0.15 0.00 0.21 0.00 0.00 52.86 55.49 3hub s ASN 269 Cb -0.26 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 38.81 3hub s ASN 269 CO 0.30 -0.70 1.92 -0.26 -2.79 0.00 0.00 177.10 175.56 3hub h PHE 270 N 7.82 0.00 -0.53 0.43 0.05 -1.95 -1.30 116.94 121.46 3hub h PHE 270 Ca -0.24 0.00 0.13 0.00 3.82 0.00 0.00 57.97 61.68 3hub h PHE 270 Cb 1.09 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 39.02 3hub h PHE 270 CO 0.77 0.27 0.37 0.00 -0.18 0.00 0.00 178.31 179.54 3hub h ALA 271 N 1.73 2.34 -0.00 2.45 0.00 -1.92 0.24 119.26 124.11 3hub h ALA 271 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hub h ALA 271 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hub h ALA 271 CO 0.04 -0.49 -0.55 0.09 0.00 0.00 0.00 179.25 178.34 3hub n ASN 272 N -4.42 0.74 -0.09 0.00 4.13 -0.50 -3.53 115.26 111.59 3hub n ASN 272 Ca 0.09 -0.54 -0.16 0.00 1.68 0.00 0.00 54.58 55.65 3hub n ASN 272 Cb 0.52 0.38 -0.14 0.00 -1.54 0.00 0.00 39.78 39.00 3hub n ASN 272 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3hub n VAL 273 N -1.30 1.53 -2.79 2.41 0.31 -0.81 -4.58 118.33 113.10 3hub n VAL 273 Ca 0.06 -0.68 -0.35 0.00 -0.01 0.00 0.00 64.34 63.37 3hub n VAL 273 Cb 0.34 -1.22 -0.01 0.00 -0.91 0.00 0.00 33.84 32.05 3hub n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hub n PHE 274 N -3.16 3.35 -1.93 3.52 3.01 0.79 -5.01 117.46 118.02 3hub n PHE 274 Ca -0.38 -3.22 -0.42 0.00 1.01 0.00 0.00 57.45 54.44 3hub n PHE 274 Cb 1.05 -0.88 -0.03 0.00 -0.01 0.00 0.00 39.48 39.61 3hub n PHE 274 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3hub s ILE 275 N -4.36 3.29 0.00 4.37 1.01 -1.23 -2.04 121.20 122.23 3hub s ILE 275 Ca 0.43 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.61 3hub s ILE 275 Cb 0.23 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3hub s ILE 275 CO -0.13 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.39 3hub n GLY 276 N 4.13 2.62 3.40 6.18 0.00 -1.26 -5.06 105.19 115.19 3hub n GLY 276 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3hub n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hub n ALA 277 N -1.32 -2.08 -1.60 4.61 0.00 -0.87 -4.93 120.51 114.33 3hub n ALA 277 Ca 0.00 -0.27 -0.52 0.00 0.00 0.00 0.00 53.44 52.66 3hub n ALA 277 Cb 0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 3hub n ALA 277 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hub n ASN 278 N 0.34 1.73 0.21 0.00 2.85 -1.26 -4.89 115.26 114.24 3hub n ASN 278 Ca 0.09 1.12 0.05 0.00 -0.11 0.00 0.00 54.58 55.72 3hub n ASN 278 Cb 0.50 -1.20 0.46 0.00 1.24 0.00 0.00 39.78 40.78 3hub n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hub h PRO 279 N 4.66 0.00 -0.24 1.20 0.11 -1.98 -1.02 132.00 134.74 3hub h PRO 279 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3hub h PRO 279 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3hub h PRO 279 CO 0.79 0.25 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.73 3hub h LEU 280 N 0.00 0.33 -0.14 2.35 3.38 -1.99 0.21 115.31 119.45 3hub h LEU 280 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hub h LEU 280 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hub h LEU 280 CO 0.03 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3hub h ALA 281 N 1.63 0.19 -0.87 1.53 0.00 -1.58 -1.34 119.26 118.82 3hub h ALA 281 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hub h ALA 281 Cb 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hub h ALA 281 CO 0.01 -0.12 0.50 0.28 0.00 0.00 0.00 179.25 179.92 3hub h VAL 282 N -0.02 1.24 -0.51 0.00 2.07 -1.35 0.71 116.25 118.39 3hub h VAL 282 Ca 0.04 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3hub h VAL 282 Cb 0.36 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3hub h VAL 282 CO 0.01 0.26 0.18 -0.78 0.02 0.00 0.00 177.57 177.26 3hub h ASP 283 N 1.20 0.73 -0.23 0.57 3.58 -0.78 -1.53 116.42 119.96 3hub h ASP 283 Ca 0.31 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3hub h ASP 283 Cb -0.02 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 3hub h ASP 283 CO -0.05 0.72 0.15 0.25 -2.88 0.00 0.00 179.24 177.43 3hub h LEU 284 N 0.69 0.27 -0.69 2.28 5.85 -0.86 -2.74 115.31 120.12 3hub h LEU 284 Ca 0.17 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.95 3hub h LEU 284 Cb 0.24 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 3hub h LEU 284 CO -0.01 0.21 0.34 -0.07 -0.34 0.00 0.00 178.44 178.57 3hub h LEU 285 N 0.30 0.45 -0.88 2.25 3.38 -0.50 -0.04 115.31 120.28 3hub h LEU 285 Ca 0.08 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.26 3hub h LEU 285 Cb -0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 3hub h LEU 285 CO -0.02 0.27 0.46 -0.33 0.09 0.00 0.00 178.44 178.91 3hub h GLU 286 N 0.59 0.63 0.00 1.13 4.39 -1.15 -1.55 114.58 118.62 3hub h GLU 286 Ca 0.33 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 3hub h GLU 286 Cb 0.33 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3hub h GLU 286 CO -0.25 0.41 -0.02 0.87 -1.16 0.00 0.00 179.01 178.86 3hub h LYS 287 N 0.65 0.00 0.10 2.33 1.57 -0.77 -3.32 116.57 117.12 3hub h LYS 287 Ca 0.48 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.92 3hub h LYS 287 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3hub h LYS 287 CO -0.37 0.02 -1.92 -1.33 -0.57 0.00 0.00 179.45 175.28 3hub n MET 288 N -3.10 0.73 -2.99 3.15 2.81 -0.38 -1.06 117.12 116.27 3hub n MET 288 Ca 0.04 0.27 -0.37 0.00 -1.81 0.00 0.00 57.70 55.83 3hub n MET 288 Cb 0.52 -1.73 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 3hub n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hub n LEU 289 N -3.37 5.83 -4.57 4.03 4.77 -0.61 -4.19 117.00 118.88 3hub n LEU 289 Ca -0.28 -5.38 -0.34 0.00 -0.03 0.00 0.00 56.01 49.98 3hub n LEU 289 Cb 1.05 -1.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3hub n LEU 289 CO 0.44 1.96 -0.29 -0.69 -1.33 0.00 0.00 177.39 177.48 3hub s VAL 290 N -3.38 4.39 0.24 4.08 1.01 -1.26 -4.87 120.40 120.62 3hub s VAL 290 Ca 0.38 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 3hub s VAL 290 Cb 0.14 -2.97 0.22 0.00 0.00 0.00 0.00 36.38 33.77 3hub s VAL 290 CO -0.01 0.46 1.70 0.25 0.00 0.00 0.00 175.10 177.50 3hub h LEU 291 N 6.82 0.08 -8.83 3.92 5.85 -1.92 -3.40 115.31 117.83 3hub h LEU 291 Ca -0.35 0.13 -0.57 0.00 0.84 0.00 0.00 57.88 57.94 3hub h LEU 291 Cb 1.18 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 3hub h LEU 291 CO 0.66 0.01 0.92 -0.62 -0.34 0.00 0.00 178.44 179.07 3hub s ASP 292 N -5.28 6.70 0.52 1.25 -1.08 -1.26 -4.93 116.67 112.59 3hub s ASP 292 Ca -0.13 0.78 0.19 0.00 -0.52 0.00 0.00 52.55 52.87 3hub s ASP 292 Cb 0.20 -2.55 1.33 0.00 -1.46 0.00 0.00 42.92 40.44 3hub s ASP 292 CO 0.75 -1.13 2.14 0.77 0.52 0.00 0.00 175.17 178.22 3hub h SER 293 N 9.02 0.00 0.57 -0.34 4.64 -1.98 -0.58 113.55 124.89 3hub h SER 293 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hub h SER 293 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hub h SER 293 CO 1.08 0.04 0.00 0.44 -0.87 0.00 0.00 176.83 177.52 3hub h ASP 294 N 0.00 0.00 -0.01 4.97 3.45 -1.95 -3.16 116.42 119.73 3hub h ASP 294 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hub h ASP 294 Cb 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3hub h ASP 294 CO 0.01 0.00 -0.56 0.29 -1.57 0.00 0.00 179.24 177.40 3hub n LYS 295 N -2.54 1.27 -2.30 3.56 5.02 -0.23 -4.97 118.16 117.97 3hub n LYS 295 Ca 0.00 -0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 55.28 3hub n LYS 295 Cb 0.19 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3hub n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hub s ARG 296 N -2.38 4.47 0.39 1.97 0.52 -1.19 -4.97 118.95 117.76 3hub s ARG 296 Ca 0.13 1.99 -0.25 0.00 -0.52 0.00 0.00 55.73 57.09 3hub s ARG 296 Cb 0.15 -3.09 -0.12 0.00 0.52 0.00 0.00 34.95 32.41 3hub s ARG 296 CO 0.58 -0.01 0.89 1.51 0.02 0.00 0.00 175.30 178.29 3hub n ILE 297 N 0.92 2.21 -2.46 1.52 3.06 -0.22 -5.02 119.36 119.37 3hub n ILE 297 Ca -0.00 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.50 3hub n ILE 297 Cb 0.44 -0.96 0.13 0.00 0.54 0.00 0.00 39.64 39.79 3hub n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3hub s THR 298 N -1.27 2.06 0.08 9.51 -4.23 -1.26 -4.90 115.64 115.63 3hub s THR 298 Ca 0.62 -0.48 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 3hub s THR 298 Cb -0.60 -2.58 -0.25 0.00 1.34 0.00 0.00 72.50 70.41 3hub s THR 298 CO 0.58 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.84 3hub h ALA 299 N -0.80 0.13 -0.91 3.99 0.00 -1.92 -1.99 119.26 117.75 3hub h ALA 299 Ca -0.37 -0.74 0.01 0.00 0.00 0.00 0.00 54.91 53.81 3hub h ALA 299 Cb 1.26 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3hub h ALA 299 CO 0.38 0.73 0.60 0.00 0.00 0.00 0.00 179.25 180.96 3hub h ALA 300 N 0.45 1.16 -0.41 0.00 0.00 -1.94 -1.45 119.26 117.06 3hub h ALA 300 Ca -0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3hub h ALA 300 Cb 1.77 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3hub h ALA 300 CO 0.21 0.53 0.02 1.96 0.00 0.00 0.00 179.25 181.97 3hub h GLN 301 N 1.21 0.72 -0.64 0.00 4.20 -1.94 -3.12 115.11 115.54 3hub h GLN 301 Ca 0.34 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 3hub h GLN 301 Cb -0.11 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3hub h GLN 301 CO -0.08 0.79 0.25 0.00 -0.67 0.00 0.00 178.83 179.11 3hub h ALA 302 N 0.90 1.23 0.00 3.87 0.00 -1.20 -0.70 119.26 123.37 3hub h ALA 302 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hub h ALA 302 Cb 0.45 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hub h ALA 302 CO 0.02 0.56 -0.02 -0.07 0.00 0.00 0.00 179.25 179.73 3hub h LEU 303 N 0.93 0.00 -0.71 0.00 3.38 -1.21 -1.01 115.31 116.69 3hub h LEU 303 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hub h LEU 303 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hub h LEU 303 CO -0.02 0.02 -0.36 0.00 0.09 0.00 0.00 178.44 178.18 3hub n ALA 304 N -2.21 3.30 -1.76 1.53 0.00 -0.30 -4.74 120.51 116.33 3hub n ALA 304 Ca -0.02 -0.51 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 3hub n ALA 304 Cb 0.13 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.61 3hub n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hub s HIS 305 N -2.49 2.56 0.53 0.00 5.04 -0.39 -4.90 115.29 115.64 3hub s HIS 305 Ca 0.22 1.52 0.19 0.00 -1.54 0.00 0.00 55.06 55.45 3hub s HIS 305 Cb 0.19 -3.41 1.35 0.00 0.04 0.00 0.00 32.58 30.75 3hub s HIS 305 CO 0.54 -1.91 2.15 0.00 -2.34 0.00 0.00 174.74 173.18 3hub h ALA 306 N 1.19 1.99 -1.30 1.58 0.00 -1.93 -2.10 119.26 118.70 3hub h ALA 306 Ca -0.50 -0.00 0.38 0.00 0.00 0.00 0.00 54.91 54.79 3hub h ALA 306 Cb 1.28 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 3hub h ALA 306 CO 0.57 -0.07 0.89 -0.92 0.00 0.00 0.00 179.25 179.72 3hub h TYR 307 N 0.00 0.29 -0.35 0.00 3.20 -1.91 -1.60 116.97 116.60 3hub h TYR 307 Ca 0.03 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3hub h TYR 307 Cb 0.11 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3hub h TYR 307 CO 0.00 -0.03 0.02 1.19 -1.64 0.00 0.00 178.16 177.69 3hub n PHE 308 N -4.38 1.23 -0.26 -3.82 3.01 -0.79 -4.74 117.46 107.72 3hub n PHE 308 Ca 0.31 -0.96 0.25 0.00 1.01 0.00 0.00 57.45 58.05 3hub n PHE 308 Cb 1.31 -0.39 0.59 0.00 -0.01 0.00 0.00 39.48 40.99 3hub n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hub h ALA 309 N 2.06 2.49 0.00 4.37 0.00 -1.44 0.16 119.26 126.90 3hub h ALA 309 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hub h ALA 309 Cb 1.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3hub h ALA 309 CO 0.32 -0.81 -0.08 0.00 0.00 0.00 0.00 179.25 178.68 3hub n GLN 310 N -4.45 0.04 -0.02 0.00 10.64 -1.26 -4.01 117.38 118.32 3hub n GLN 310 Ca 0.22 0.03 -0.02 0.00 -1.83 0.00 0.00 57.00 55.40 3hub n GLN 310 Cb 0.89 -1.55 -0.03 0.00 -0.86 0.00 0.00 30.24 28.69 3hub n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3hub n TYR 311 N -1.62 0.00 -1.68 2.61 4.02 -0.17 -5.04 117.16 115.28 3hub n TYR 311 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.52 3hub n TYR 311 Cb 0.35 -0.21 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 3hub n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3hub n HIS 312 N -2.15 2.53 -3.71 -0.72 -0.00 0.40 -4.98 115.22 106.59 3hub n HIS 312 Ca -0.07 -0.20 -0.29 0.00 0.46 0.00 0.00 57.72 57.62 3hub n HIS 312 Cb 0.63 -2.74 -0.15 0.00 -0.12 0.00 0.00 29.99 27.61 3hub n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3hub s ASP 313 N 3.46 3.72 0.18 0.26 2.15 -1.26 -4.99 116.67 120.18 3hub s ASP 313 Ca 0.86 -1.40 0.14 0.00 0.43 0.00 0.00 52.55 52.57 3hub s ASP 313 Cb -0.50 -0.74 0.71 0.00 -0.30 0.00 0.00 42.92 42.08 3hub s ASP 313 CO 0.41 -0.39 1.43 -0.81 -0.17 0.00 0.00 175.17 175.64 3hub n PRO 314 N 4.94 0.09 0.00 4.34 -0.04 -1.26 -0.72 135.00 142.35 3hub n PRO 314 Ca -0.04 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 3hub n PRO 314 Cb 0.43 -1.75 0.09 0.00 -0.04 0.00 0.00 33.50 32.23 3hub n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hub n ASP 315 N -1.94 2.68 -2.91 3.54 10.43 -1.26 -4.39 116.55 122.71 3hub n ASP 315 Ca -0.00 -1.85 -0.19 0.00 2.57 0.00 0.00 54.79 55.32 3hub n ASP 315 Cb 0.06 0.12 -0.01 0.00 1.84 0.00 0.00 41.12 43.13 3hub n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3hub n ASP 316 N 0.94 2.28 -3.21 -2.24 4.64 0.10 -4.88 116.55 114.18 3hub n ASP 316 Ca 0.13 -3.18 -0.24 0.00 -1.38 0.00 0.00 54.79 50.12 3hub n ASP 316 Cb 0.56 -0.56 -0.07 0.00 -1.04 0.00 0.00 41.12 40.00 3hub n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3hub n GLU 317 N -0.02 0.89 -1.11 -0.67 1.02 -1.22 -4.80 120.64 114.71 3hub n GLU 317 Ca 0.24 -3.36 -0.32 0.00 -0.02 0.00 0.00 57.16 53.70 3hub n GLU 317 Cb 0.64 -1.31 0.12 0.00 -0.02 0.00 0.00 31.44 30.87 3hub n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hub s PRO 318 N -1.32 1.77 0.22 3.49 0.05 -1.26 -4.95 135.00 133.01 3hub s PRO 318 Ca 0.36 1.48 0.09 0.00 0.05 0.00 0.00 61.00 62.97 3hub s PRO 318 Cb 0.17 -1.82 -0.04 0.00 0.05 0.00 0.00 34.50 32.86 3hub s PRO 318 CO -0.10 -2.06 -0.03 0.14 0.05 0.00 0.00 177.00 175.00 3hub s VAL 319 N -2.54 3.43 0.26 -0.36 -7.23 -1.26 -4.17 120.40 108.53 3hub s VAL 319 Ca 0.67 -1.74 -0.07 0.00 -1.81 0.00 0.00 61.98 59.03 3hub s VAL 319 Cb -0.22 -2.77 -0.06 0.00 0.56 0.00 0.00 36.38 33.88 3hub s VAL 319 CO 0.53 -0.24 0.56 0.00 -0.31 0.00 0.00 175.10 175.63 3hub s ALA 320 N -2.02 3.59 0.46 1.32 0.00 -1.26 -5.04 121.76 118.81 3hub s ALA 320 Ca 0.29 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 3hub s ALA 320 Cb -0.08 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 3hub s ALA 320 CO 0.18 0.36 1.30 -0.51 0.00 0.00 0.00 175.76 177.09 3hub s ASP 321 N -2.80 5.96 0.67 0.00 1.01 -1.26 -4.45 116.67 115.80 3hub s ASP 321 Ca 0.46 2.63 -0.13 0.00 0.71 0.00 0.00 52.55 56.21 3hub s ASP 321 Cb -0.11 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3hub s ASP 321 CO 0.26 -1.09 1.07 -2.84 0.21 0.00 0.00 175.17 172.79 3hub s PRO 322 N -2.55 2.89 -0.10 8.23 0.02 -1.26 -4.66 135.00 137.58 3hub s PRO 322 Ca 0.63 1.16 0.03 0.00 0.02 0.00 0.00 61.00 62.83 3hub s PRO 322 Cb -0.37 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.16 3hub s PRO 322 CO 0.46 -1.15 -0.19 -0.47 -0.33 0.00 0.00 177.00 175.32 3hub s TYR 323 N -2.70 2.64 -0.93 6.54 5.04 -1.02 -5.04 117.35 121.88 3hub s TYR 323 Ca 0.62 -0.72 -0.21 0.00 -2.44 0.00 0.00 57.07 54.32 3hub s TYR 323 Cb -0.16 -1.72 0.09 0.00 0.35 0.00 0.00 41.96 40.51 3hub s TYR 323 CO 0.47 -0.22 1.25 0.34 -1.34 0.00 0.00 175.55 176.04 3hub s ASP 324 N 0.10 6.51 0.25 4.32 -1.08 -1.26 -4.86 116.67 120.64 3hub s ASP 324 Ca -0.09 -1.63 0.23 0.00 -0.52 0.00 0.00 52.55 50.54 3hub s ASP 324 Cb -0.15 -2.48 0.97 0.00 -1.46 0.00 0.00 42.92 39.80 3hub s ASP 324 CO 0.06 -1.31 1.69 1.67 0.52 0.00 0.00 175.17 177.79 3hub n GLN 325 N 7.72 0.18 0.18 4.34 7.27 -1.26 -3.32 117.38 132.49 3hub n GLN 325 Ca 0.24 0.43 0.03 0.00 0.07 0.00 0.00 57.00 57.77 3hub n GLN 325 Cb 0.49 -1.85 0.33 0.00 2.41 0.00 0.00 30.24 31.62 3hub n GLN 325 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3hub h SER 326 N 0.00 0.00 -0.48 1.69 4.64 -1.97 -2.72 113.55 114.71 3hub h SER 326 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3hub h SER 326 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3hub h SER 326 CO 0.00 0.42 0.10 -0.07 -0.87 0.00 0.00 176.83 176.42 3hub h LEU 327 N 0.00 0.79 -0.03 5.97 3.38 -1.99 -3.08 115.31 120.35 3hub h LEU 327 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hub h LEU 327 Cb 0.84 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hub h LEU 327 CO 0.05 0.79 -0.21 -1.84 0.09 0.00 0.00 178.44 177.32 3hub n GLU 328 N -4.26 0.08 -1.24 1.13 0.28 -1.04 -4.09 120.64 111.51 3hub n GLU 328 Ca 0.04 -0.03 -0.17 0.00 -0.16 0.00 0.00 57.16 56.84 3hub n GLU 328 Cb 0.24 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.75 3hub n GLU 328 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3hub n SER 329 N -1.44 4.18 -4.91 -1.84 3.41 -1.15 -4.94 113.62 106.93 3hub n SER 329 Ca 0.07 -3.77 -0.27 0.00 -0.26 0.00 0.00 58.87 54.64 3hub n SER 329 Cb 0.33 -0.66 0.05 0.00 -0.26 0.00 0.00 64.21 63.67 3hub n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hub s ARG 330 N -3.46 2.64 -0.51 4.33 0.52 -1.25 -5.05 118.95 116.17 3hub s ARG 330 Ca 0.51 0.02 -0.05 0.00 -0.52 0.00 0.00 55.73 55.70 3hub s ARG 330 Cb 0.44 -2.17 0.13 0.00 0.52 0.00 0.00 34.95 33.87 3hub s ARG 330 CO 0.02 -0.98 0.33 -0.51 0.02 0.00 0.00 175.30 174.18 3hub s ASP 331 N -4.39 5.42 0.41 0.23 1.01 -1.26 -5.08 116.67 113.01 3hub s ASP 331 Ca 0.57 -2.28 0.07 0.00 0.71 0.00 0.00 52.55 51.62 3hub s ASP 331 Cb -0.11 -1.90 -0.07 0.00 1.01 0.00 0.00 42.92 41.86 3hub s ASP 331 CO 0.47 -0.53 0.07 -0.76 0.21 0.00 0.00 175.17 174.63 3hub s LEU 332 N 0.79 2.97 0.60 1.23 1.43 -1.26 -5.13 118.68 119.31 3hub s LEU 332 Ca 0.11 -1.24 -0.10 0.00 -1.03 0.00 0.00 54.13 51.88 3hub s LEU 332 Cb -0.22 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 3hub s LEU 332 CO -0.03 -0.47 0.98 -0.76 0.23 0.00 0.00 176.35 176.29 3hub s LEU 333 N -3.78 3.27 0.21 1.79 1.43 -1.26 -4.89 118.68 115.44 3hub s LEU 333 Ca 0.37 1.24 -0.10 0.00 -1.03 0.00 0.00 54.13 54.61 3hub s LEU 333 Cb 0.07 -4.22 0.16 0.00 0.03 0.00 0.00 46.19 42.23 3hub s LEU 333 CO 0.20 -0.88 1.87 0.40 0.23 0.00 0.00 176.35 178.17 3hub h ILE 334 N -0.24 1.17 0.00 -0.59 2.04 -1.92 -0.73 117.51 117.23 3hub h ILE 334 Ca -0.45 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3hub h ILE 334 Cb 1.21 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3hub h ILE 334 CO 0.62 0.18 -0.31 0.44 0.00 0.00 0.00 178.15 179.08 3hub h ASP 335 N 0.98 0.00 0.00 1.72 3.45 -1.96 0.25 116.42 120.85 3hub h ASP 335 Ca 0.27 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.64 3hub h ASP 335 Cb -0.09 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.69 3hub h ASP 335 CO -0.07 0.31 -0.36 -0.33 -1.57 0.00 0.00 179.24 177.22 3hub h GLU 336 N 0.00 0.24 -0.61 3.56 5.08 -1.60 -2.10 114.58 119.16 3hub h GLU 336 Ca -0.00 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 3hub h GLU 336 Cb 0.64 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3hub h GLU 336 CO 0.04 0.98 0.18 -1.49 -1.00 0.00 0.00 179.01 177.72 3hub h TRP 337 N -0.39 0.95 -0.61 4.33 -0.00 -0.86 -2.25 115.95 117.12 3hub h TRP 337 Ca -0.05 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.89 58.72 3hub h TRP 337 Cb 1.11 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.96 3hub h TRP 337 CO 0.17 0.77 0.24 -0.22 -0.00 0.00 0.00 178.44 179.40 3hub h LYS 338 N 0.89 0.91 -0.16 0.49 3.64 -0.58 -2.09 116.57 119.68 3hub h LYS 338 Ca 0.20 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 3hub h LYS 338 Cb 0.28 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hub h LYS 338 CO -0.01 0.78 -0.58 1.03 -2.27 0.00 0.00 179.45 178.41 3hub h SER 339 N 0.85 0.58 -0.62 4.20 0.87 -1.23 -1.87 113.55 116.32 3hub h SER 339 Ca 0.20 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3hub h SER 339 Cb 0.21 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 3hub h SER 339 CO -0.02 1.03 0.36 -0.07 -0.53 0.00 0.00 176.83 177.60 3hub h LEU 340 N 0.39 0.76 -0.72 2.23 3.38 -1.43 -2.05 115.31 117.87 3hub h LEU 340 Ca 0.00 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3hub h LEU 340 Cb 1.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3hub h LEU 340 CO 0.11 0.62 -0.33 0.74 0.09 0.00 0.00 178.44 179.66 3hub h THR 341 N 0.84 1.29 -0.46 0.22 2.02 -1.24 -2.25 112.91 113.33 3hub h THR 341 Ca 0.22 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.92 3hub h THR 341 Cb 0.01 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3hub h THR 341 CO -0.04 0.47 0.20 0.22 0.37 0.00 0.00 175.52 176.74 3hub h TYR 342 N 0.51 0.68 -0.84 3.16 3.20 -1.23 -2.12 116.97 120.34 3hub h TYR 342 Ca 0.06 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3hub h TYR 342 Cb 0.82 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 3hub h TYR 342 CO 0.03 0.57 0.53 -0.44 -1.64 0.00 0.00 178.16 177.21 3hub h ASP 343 N 0.59 0.98 -0.81 -2.11 3.32 -1.22 -1.72 116.42 115.46 3hub h ASP 343 Ca 0.15 -0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.27 3hub h ASP 343 Cb 0.17 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 3hub h ASP 343 CO -0.02 0.74 0.53 -0.33 -1.72 0.00 0.00 179.24 178.44 3hub h GLU 344 N 1.14 0.67 -0.15 3.56 4.39 -1.13 -0.14 114.58 122.92 3hub h GLU 344 Ca 0.30 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.87 3hub h GLU 344 Cb -0.09 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 3hub h GLU 344 CO -0.06 0.45 -0.26 0.28 -1.16 0.00 0.00 179.01 178.25 3hub h VAL 345 N 0.69 1.36 -0.15 3.13 2.07 -0.79 -2.84 116.25 119.72 3hub h VAL 345 Ca 0.38 -1.51 -0.15 0.00 0.82 0.00 0.00 66.70 66.24 3hub h VAL 345 Cb 0.53 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3hub h VAL 345 CO -0.15 0.45 -0.54 0.40 0.02 0.00 0.00 177.57 177.75 3hub h ILE 346 N 0.05 1.33 -0.01 4.57 1.08 -1.19 -2.29 117.51 121.06 3hub h ILE 346 Ca 0.01 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.67 3hub h ILE 346 Cb 0.85 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 3hub h ILE 346 CO 0.06 0.55 -0.01 -1.54 -0.69 0.00 0.00 178.15 176.53 3hub n SER 347 N -3.95 0.60 -4.71 1.72 3.41 -0.08 -4.87 113.62 105.75 3hub n SER 347 Ca -0.03 -1.17 -0.42 0.00 -0.26 0.00 0.00 58.87 57.00 3hub n SER 347 Cb 0.59 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3hub n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hub s PHE 348 N -2.03 2.91 -0.17 7.33 5.36 -0.86 -5.01 117.98 125.52 3hub s PHE 348 Ca 0.43 0.57 0.01 0.00 -0.96 0.00 0.00 56.93 56.98 3hub s PHE 348 Cb 0.22 -3.92 0.02 0.00 -0.34 0.00 0.00 43.02 38.99 3hub s PHE 348 CO 0.36 -3.46 -0.20 0.08 -1.46 0.00 0.00 175.22 170.54 3hub s VAL 349 N 1.52 2.03 0.63 3.12 1.01 -1.26 -5.08 120.40 122.38 3hub s VAL 349 Ca 0.71 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 3hub s VAL 349 Cb -0.42 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3hub s VAL 349 CO 0.31 0.54 1.17 -2.16 0.00 0.00 0.00 175.10 174.96 3hub s PRO 350 N 1.17 2.83 0.67 2.72 0.04 -1.26 -4.99 135.00 136.17 3hub s PRO 350 Ca 0.02 1.67 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 3hub s PRO 350 Cb -0.14 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3hub s PRO 350 CO -0.10 -1.28 1.22 -1.25 0.04 0.00 0.00 177.00 175.63 3hub s PRO 351 N -3.63 2.51 0.00 0.56 0.04 -1.26 -5.16 135.00 128.06 3hub s PRO 351 Ca 0.73 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3hub s PRO 351 Cb -0.26 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3hub s PRO 351 CO 0.36 -1.57 0.28 -0.35 0.04 0.00 0.00 177.00 175.77