#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbw n PRO 2 N 0.00 1.20 -0.08 4.33 -0.02 -1.26 -4.97 135.00 134.20 2qbw n PRO 2 Ca 0.00 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2qbw n PRO 2 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2qbw n PRO 2 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qbw n GLU 3 N 1.03 0.00 0.06 -0.52 1.02 -1.26 -4.89 120.64 116.08 2qbw n GLU 3 Ca 0.12 -0.48 0.11 0.00 -0.02 0.00 0.00 57.16 56.88 2qbw n GLU 3 Cb 0.29 -0.42 -0.06 0.00 -0.02 0.00 0.00 31.44 31.24 2qbw n GLU 3 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qbw n LEU 4 N 0.00 0.57 -0.11 -4.62 4.77 -1.26 0.37 117.00 116.71 2qbw n LEU 4 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2qbw n LEU 4 Cb 0.53 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2qbw n LEU 4 CO 0.00 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 2qbw n GLY 5 N 1.22 0.52 3.37 -0.72 0.00 -1.26 -3.47 105.19 104.85 2qbw n GLY 5 Ca -0.02 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2qbw n GLY 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qbw s PHE 6 N -2.23 -0.11 0.22 1.61 -0.12 -1.26 -1.32 117.98 114.77 2qbw s PHE 6 Ca 0.00 -0.23 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 2qbw s PHE 6 Cb 0.00 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 2qbw s PHE 6 CO 0.00 -0.76 0.10 -1.54 -0.05 0.00 0.00 175.22 172.98 2qbw s SER 7 N -2.84 5.18 0.13 1.98 1.04 -0.05 -4.99 113.70 114.14 2qbw s SER 7 Ca 0.06 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.24 2qbw s SER 7 Cb 0.01 -1.22 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 2qbw s SER 7 CO -0.08 0.02 -0.20 0.27 0.98 0.00 0.00 173.24 174.23 2qbw s ILE 8 N -2.01 1.77 0.27 -1.02 -4.36 -1.26 -0.45 121.20 114.14 2qbw s ILE 8 Ca 0.31 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 59.05 2qbw s ILE 8 Cb -0.08 -1.69 -0.06 0.00 1.25 0.00 0.00 42.46 41.88 2qbw s ILE 8 CO 0.22 -0.16 -0.03 -0.94 0.24 0.00 0.00 174.94 174.27 2qbw s SER 9 N -2.23 2.47 0.00 4.36 1.04 -0.43 -4.89 113.70 114.02 2qbw s SER 9 Ca 0.11 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.32 2qbw s SER 9 Cb -0.08 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2qbw s SER 9 CO 0.05 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2qbw n GLY 10 N -0.55 -1.46 0.00 7.32 0.00 -1.11 -0.66 105.19 108.73 2qbw n GLY 10 Ca -0.05 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2qbw n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbw n GLY 11 N 0.00 3.03 3.68 -0.02 0.00 -0.43 -3.95 105.19 107.49 2qbw n GLY 11 Ca 0.00 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2qbw n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbw s VAL 12 N -2.19 2.95 0.00 1.61 1.01 -0.52 -1.25 120.40 122.00 2qbw s VAL 12 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2qbw s VAL 12 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2qbw s VAL 12 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2qbw n GLY 13 N 4.18 0.62 0.00 4.51 0.00 -1.26 -4.30 105.19 108.94 2qbw n GLY 13 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qbw n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbw n GLY 14 N -2.36 -1.05 0.72 -0.02 0.00 -0.38 -4.98 105.19 97.11 2qbw n GLY 14 Ca 0.00 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.43 2qbw n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbw n ARG 15 N -0.77 1.91 0.00 1.61 1.74 -1.26 -4.98 116.66 114.91 2qbw n ARG 15 Ca 0.00 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 2qbw n ARG 15 Cb 0.00 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2qbw n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbw n GLY 16 N 1.14 -2.22 3.13 -0.13 0.00 -1.26 -4.94 105.19 100.91 2qbw n GLY 16 Ca 0.14 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 2qbw n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbw s ASN 17 N -3.31 0.16 0.00 1.61 4.22 -1.26 -2.75 114.94 113.60 2qbw s ASN 17 Ca 0.00 -0.52 0.15 0.00 -2.14 0.00 0.00 52.86 50.36 2qbw s ASN 17 Cb 0.00 0.24 0.85 0.00 1.28 0.00 0.00 41.25 43.61 2qbw s ASN 17 CO 0.00 -0.52 1.55 -0.81 -2.04 0.00 0.00 177.10 175.28 2qbw n PRO 18 N 0.73 1.10 -0.12 3.55 -0.04 -1.26 -4.08 135.00 134.89 2qbw n PRO 18 Ca -0.19 -0.15 -0.23 0.00 -0.04 0.00 0.00 63.50 62.89 2qbw n PRO 18 Cb 0.59 -1.25 -0.09 0.00 -0.04 0.00 0.00 33.50 32.71 2qbw n PRO 18 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qbw n PHE 19 N -0.58 0.00 -3.58 0.54 3.01 -1.26 -4.96 117.46 110.63 2qbw n PHE 19 Ca 0.12 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.29 2qbw n PHE 19 Cb 0.09 -0.86 -0.16 0.00 -0.01 0.00 0.00 39.48 38.54 2qbw n PHE 19 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2qbw s ARG 20 N -2.44 0.21 0.24 -1.08 1.81 -1.26 -5.05 118.95 111.38 2qbw s ARG 20 Ca -0.33 -0.45 -0.07 0.00 -1.72 0.00 0.00 55.73 53.16 2qbw s ARG 20 Cb 0.12 -1.41 0.25 0.00 -0.45 0.00 0.00 34.95 33.46 2qbw s ARG 20 CO 0.44 -0.92 1.91 -1.00 -0.68 0.00 0.00 175.30 175.05 2qbw h PRO 21 N 8.39 1.19 -0.62 3.54 0.13 -1.93 -2.77 132.00 139.92 2qbw h PRO 21 Ca -0.18 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2qbw h PRO 21 Cb 1.05 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2qbw h PRO 21 CO 0.40 0.79 0.00 -0.25 -0.23 0.00 0.00 178.00 178.71 2qbw n ASP 22 N -4.46 5.25 -4.27 1.44 10.43 -1.26 -4.85 116.55 118.83 2qbw n ASP 22 Ca 0.11 -2.74 -0.34 0.00 2.57 0.00 0.00 54.79 54.39 2qbw n ASP 22 Cb 0.04 -0.65 -0.15 0.00 1.84 0.00 0.00 41.12 42.21 2qbw n ASP 22 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2qbw s ASP 23 N -0.78 3.93 -0.15 -2.24 -1.08 -1.05 -4.99 116.67 110.32 2qbw s ASP 23 Ca 0.51 -0.44 0.11 0.00 -0.52 0.00 0.00 52.55 52.21 2qbw s ASP 23 Cb 0.37 -1.64 0.58 0.00 -1.46 0.00 0.00 42.92 40.77 2qbw s ASP 23 CO 0.18 0.03 1.41 -0.90 0.52 0.00 0.00 175.17 176.40 2qbw n ASP 24 N 4.47 4.21 -3.49 -0.34 5.68 -1.26 -4.77 116.55 121.05 2qbw n ASP 24 Ca -0.19 -2.57 -0.27 0.00 -0.50 0.00 0.00 54.79 51.26 2qbw n ASP 24 Cb 0.51 -0.59 0.22 0.00 -1.14 0.00 0.00 41.12 40.12 2qbw n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qbw n GLY 25 N 0.59 -2.61 3.68 6.12 0.00 -1.26 -1.32 105.19 110.40 2qbw n GLY 25 Ca 0.20 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 2qbw n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbw s ILE 26 N -2.90 5.35 -0.07 -0.61 -1.09 -1.26 -2.09 121.20 118.53 2qbw s ILE 26 Ca 0.65 0.27 0.05 0.00 -2.23 0.00 0.00 60.65 59.39 2qbw s ILE 26 Cb -0.06 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2qbw s ILE 26 CO 0.50 0.36 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.99 2qbw s PHE 27 N 0.88 2.19 0.19 3.97 0.40 0.16 -0.43 117.98 125.35 2qbw s PHE 27 Ca 0.10 -0.73 -0.31 0.00 -0.60 0.00 0.00 56.93 55.38 2qbw s PHE 27 Cb -0.13 -1.46 -0.11 0.00 0.51 0.00 0.00 43.02 41.83 2qbw s PHE 27 CO 0.03 -0.26 1.59 0.08 0.70 0.00 0.00 175.22 177.36 2qbw s VAL 28 N 0.10 2.46 0.01 -0.44 1.01 0.10 -1.32 120.40 122.32 2qbw s VAL 28 Ca -0.09 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2qbw s VAL 28 Cb -0.14 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2qbw s VAL 28 CO 0.05 0.03 -0.10 0.41 0.00 0.00 0.00 175.10 175.49 2qbw n THR 29 N 3.64 1.19 -4.66 3.92 -1.04 0.40 -0.61 114.28 117.12 2qbw n THR 29 Ca 0.13 0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 62.16 2qbw n THR 29 Cb 0.38 -1.77 -0.14 0.00 -1.82 0.00 0.00 70.33 66.98 2qbw n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2qbw s ARG 30 N -2.16 1.57 -0.09 -2.82 0.52 -1.25 -4.51 118.95 110.21 2qbw s ARG 30 Ca -0.08 -1.18 0.02 0.00 -0.52 0.00 0.00 55.73 53.97 2qbw s ARG 30 Cb 0.01 -1.86 0.01 0.00 0.52 0.00 0.00 34.95 33.63 2qbw s ARG 30 CO 0.12 0.46 -0.15 0.08 0.02 0.00 0.00 175.30 175.84 2qbw s VAL 31 N -0.91 1.44 -0.04 3.52 1.01 -1.26 -0.87 120.40 123.28 2qbw s VAL 31 Ca 0.12 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2qbw s VAL 31 Cb -0.10 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2qbw s VAL 31 CO 0.04 0.43 1.56 -1.58 0.00 0.00 0.00 175.10 175.54 2qbw s GLN 32 N 0.84 4.21 0.46 2.72 0.74 -0.44 -4.97 119.66 123.22 2qbw s GLN 32 Ca -0.10 2.11 -0.25 0.00 0.05 0.00 0.00 55.36 57.17 2qbw s GLN 32 Cb -0.15 -3.83 -0.08 0.00 1.10 0.00 0.00 33.01 30.04 2qbw s GLN 32 CO 0.01 -0.76 1.37 -2.14 -0.55 0.00 0.00 175.29 173.22 2qbw s PRO 33 N 3.49 3.67 -0.89 1.67 0.02 -1.26 -1.65 135.00 140.04 2qbw s PRO 33 Ca 0.70 2.29 0.00 0.00 0.02 0.00 0.00 61.00 64.01 2qbw s PRO 33 Cb -0.32 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.59 2qbw s PRO 33 CO 0.28 -0.78 0.00 0.39 -0.33 0.00 0.00 177.00 176.55 2qbw n GLU 34 N -0.26 -1.74 -2.30 5.54 -0.58 -1.26 -4.98 120.64 115.05 2qbw n GLU 34 Ca 0.06 0.75 -0.24 0.00 -0.42 0.00 0.00 57.16 57.30 2qbw n GLU 34 Cb 0.43 -5.08 0.14 0.00 -0.57 0.00 0.00 31.44 26.36 2qbw n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbw n GLY 35 N 0.35 0.01 0.32 0.62 0.00 -0.66 -4.95 105.19 100.88 2qbw n GLY 35 Ca -0.08 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.13 2qbw n GLY 35 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qbw h PRO 36 N 0.00 0.08 -0.09 1.61 0.11 -1.85 -2.29 132.00 129.57 2qbw h PRO 36 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2qbw h PRO 36 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qbw h PRO 36 CO 0.33 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 2qbw n ALA 37 N -2.57 2.49 0.22 -0.75 0.00 -1.23 -4.63 120.51 114.05 2qbw n ALA 37 Ca 0.04 -0.64 0.05 0.00 0.00 0.00 0.00 53.44 52.89 2qbw n ALA 37 Cb 0.33 -0.95 0.48 0.00 0.00 0.00 0.00 19.45 19.31 2qbw n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbw h SER 38 N 3.74 0.00 0.20 0.00 4.64 -1.62 -1.27 113.55 119.24 2qbw h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qbw h SER 38 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2qbw h SER 38 CO 0.00 0.24 -0.63 0.29 -0.87 0.00 0.00 176.83 175.86 2qbw n LYS 39 N -4.14 0.34 -0.03 4.77 4.76 -1.26 -4.60 118.16 118.00 2qbw n LYS 39 Ca -0.02 -0.25 -0.03 0.00 -2.87 0.00 0.00 58.31 55.14 2qbw n LYS 39 Cb 0.30 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 2qbw n LYS 39 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qbw n LEU 40 N -1.11 1.28 -4.47 -0.35 4.77 -0.62 -5.05 117.00 111.45 2qbw n LEU 40 Ca 0.07 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.77 2qbw n LEU 40 Cb 0.36 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 2qbw n LEU 40 CO 0.35 0.33 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.49 2qbw s LEU 41 N -4.80 2.61 0.03 2.23 1.43 -0.58 -5.03 118.68 114.57 2qbw s LEU 41 Ca -0.05 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2qbw s LEU 41 Cb 0.02 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2qbw s LEU 41 CO 0.18 0.10 -0.02 0.00 0.23 0.00 0.00 176.35 176.85 2qbw s GLN 42 N -2.83 0.44 0.14 1.70 -2.07 -1.26 -4.78 119.66 111.00 2qbw s GLN 42 Ca 0.23 -0.84 -0.34 0.00 -1.82 0.00 0.00 55.36 52.59 2qbw s GLN 42 Cb -0.08 0.15 -0.16 0.00 -1.09 0.00 0.00 33.01 31.83 2qbw s GLN 42 CO 0.12 -0.08 1.16 -2.30 -1.32 0.00 0.00 175.29 172.87 2qbw n PRO 43 N 1.00 1.01 -0.03 9.60 -0.02 -1.26 -2.27 135.00 143.04 2qbw n PRO 43 Ca -0.20 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2qbw n PRO 43 Cb 0.57 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2qbw n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qbw n GLY 44 N 2.06 0.74 3.70 -1.23 0.00 0.22 -5.01 105.19 105.67 2qbw n GLY 44 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2qbw n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbw s ASP 45 N -2.55 6.55 -0.23 1.61 1.01 -0.96 -4.79 116.67 117.31 2qbw s ASP 45 Ca 0.00 2.61 -0.18 0.00 0.71 0.00 0.00 52.55 55.69 2qbw s ASP 45 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 2qbw s ASP 45 CO 0.00 -0.89 0.51 -0.75 0.21 0.00 0.00 175.17 174.24 2qbw s LYS 46 N 1.97 4.14 -0.24 8.23 2.20 -0.63 -0.72 119.74 134.69 2qbw s LYS 46 Ca 0.74 0.36 -0.26 0.00 -0.36 0.00 0.00 55.97 56.44 2qbw s LYS 46 Cb -0.43 -3.60 -0.00 0.00 -1.51 0.00 0.00 37.83 32.29 2qbw s LYS 46 CO 0.32 -0.22 0.89 0.42 -0.36 0.00 0.00 175.35 176.40 2qbw s ILE 47 N 1.89 4.79 -0.35 5.43 1.01 0.43 -0.43 121.20 133.97 2qbw s ILE 47 Ca 0.22 1.70 0.14 0.00 0.00 0.00 0.00 60.65 62.72 2qbw s ILE 47 Cb -0.15 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 37.95 2qbw s ILE 47 CO 0.09 -0.10 0.46 2.30 0.00 0.00 0.00 174.94 177.70 2qbw n ILE 48 N 5.26 0.00 -3.61 2.92 -5.35 -0.07 -4.40 119.36 114.11 2qbw n ILE 48 Ca 0.07 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.15 2qbw n ILE 48 Cb 0.47 0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 38.88 2qbw n ILE 48 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2qbw s GLN 49 N -2.68 0.87 -0.06 6.28 0.74 -1.14 -0.85 119.66 122.83 2qbw s GLN 49 Ca 0.00 0.65 -0.02 0.00 0.05 0.00 0.00 55.36 56.03 2qbw s GLN 49 Cb 0.10 0.42 0.04 0.00 1.10 0.00 0.00 33.01 34.67 2qbw s GLN 49 CO 0.60 -0.18 0.11 0.00 -0.55 0.00 0.00 175.29 175.27 2qbw s ALA 50 N -0.26 -0.06 -1.72 1.58 0.00 -0.30 -1.16 121.76 119.84 2qbw s ALA 50 Ca -0.04 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 2qbw s ALA 50 Cb -0.03 -0.60 0.16 0.00 0.00 0.00 0.00 23.12 22.66 2qbw s ALA 50 CO 0.04 -0.38 0.72 0.09 0.00 0.00 0.00 175.76 176.24 2qbw n ASN 51 N 4.87 -2.82 0.00 0.00 4.13 0.55 -1.10 115.26 120.88 2qbw n ASN 51 Ca -0.13 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.07 2qbw n ASN 51 Cb 0.50 -2.53 0.00 0.00 -1.54 0.00 0.00 39.78 36.21 2qbw n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qbw n GLY 52 N -1.39 2.13 3.71 7.41 0.00 -1.26 -5.02 105.19 110.78 2qbw n GLY 52 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2qbw n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qbw s TYR 53 N -2.45 3.57 0.25 1.61 1.51 -0.26 -5.04 117.35 116.53 2qbw s TYR 53 Ca 0.00 1.32 -0.30 0.00 -1.01 0.00 0.00 57.07 57.08 2qbw s TYR 53 Cb 0.00 -2.88 -0.09 0.00 -0.11 0.00 0.00 41.96 38.88 2qbw s TYR 53 CO 0.00 0.04 1.30 0.45 -1.11 0.00 0.00 175.55 176.22 2qbw s SER 54 N 0.87 6.88 0.00 2.29 0.15 -1.26 -1.15 113.70 121.49 2qbw s SER 54 Ca 0.40 2.49 0.18 0.00 0.70 0.00 0.00 55.95 59.71 2qbw s SER 54 Cb -0.18 -2.62 0.47 0.00 -1.71 0.00 0.00 66.02 61.97 2qbw s SER 54 CO 0.19 -0.50 1.39 0.49 1.20 0.00 0.00 173.24 176.00 2qbw n PHE 55 N 1.98 0.68 -2.60 3.44 3.01 -0.03 -4.82 117.46 119.12 2qbw n PHE 55 Ca 0.04 -0.43 -0.41 0.00 1.01 0.00 0.00 57.45 57.65 2qbw n PHE 55 Cb 0.42 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 2qbw n PHE 55 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2qbw s ILE 56 N -1.07 4.31 0.00 4.37 -1.09 -1.26 -3.48 121.20 122.97 2qbw s ILE 56 Ca 0.37 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.59 2qbw s ILE 56 Cb 0.20 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2qbw s ILE 56 CO 0.26 0.22 0.00 0.59 -1.23 0.00 0.00 174.94 174.79 2qbw n ASN 57 N 3.19 -2.53 -4.81 3.58 3.02 -1.26 -5.00 115.26 111.45 2qbw n ASN 57 Ca 0.05 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2qbw n ASN 57 Cb 0.48 -1.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.09 2qbw n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2qbw s ILE 58 N -2.04 4.36 0.60 2.41 2.07 -1.23 -4.73 121.20 122.64 2qbw s ILE 58 Ca 0.00 1.55 -0.09 0.00 -1.41 0.00 0.00 60.65 60.70 2qbw s ILE 58 Cb 0.00 -3.76 -0.02 0.00 0.13 0.00 0.00 42.46 38.81 2qbw s ILE 58 CO 0.00 -0.12 0.98 -1.61 -1.91 0.00 0.00 174.94 172.27 2qbw s GLU 59 N -2.71 3.39 0.09 3.50 2.02 -1.26 -1.43 118.70 122.30 2qbw s GLU 59 Ca 0.56 0.50 -0.31 0.00 0.02 0.00 0.00 54.97 55.74 2qbw s GLU 59 Cb -0.13 -2.15 -0.15 0.00 0.10 0.00 0.00 34.13 31.80 2qbw s GLU 59 CO 0.17 -0.58 1.62 1.25 0.02 0.00 0.00 175.26 177.74 2qbw h HIS 60 N -0.24 -0.92 -0.41 1.61 -0.00 -1.75 -1.48 115.15 111.95 2qbw h HIS 60 Ca -0.45 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 59.95 2qbw h HIS 60 Cb 1.21 0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 28.94 2qbw h HIS 60 CO 0.60 -0.50 0.28 0.78 -0.00 0.00 0.00 177.93 179.08 2qbw h GLY 61 N -0.77 0.51 1.00 5.26 0.00 -1.95 -1.59 103.07 105.53 2qbw h GLY 61 Ca -0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 2qbw h GLY 61 CO -0.01 0.16 0.16 1.46 0.00 0.00 0.00 176.54 178.31 2qbw h GLN 62 N 0.46 0.90 -0.35 4.80 4.20 -1.87 -0.30 115.11 122.95 2qbw h GLN 62 Ca 0.17 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2qbw h GLN 62 Cb 0.09 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2qbw h GLN 62 CO -0.04 0.82 0.16 0.00 -0.67 0.00 0.00 178.83 179.10 2qbw h ALA 63 N 1.04 0.46 -0.20 3.87 0.00 -0.59 -0.48 119.26 123.35 2qbw h ALA 63 Ca 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qbw h ALA 63 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qbw h ALA 63 CO -0.00 0.03 0.11 0.28 0.00 0.00 0.00 179.25 179.66 2qbw h VAL 64 N 0.43 1.11 -0.76 0.00 2.07 -1.18 -0.81 116.25 117.12 2qbw h VAL 64 Ca 0.12 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2qbw h VAL 64 Cb 0.14 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2qbw h VAL 64 CO -0.01 0.11 0.30 0.28 0.02 0.00 0.00 177.57 178.27 2qbw h SER 65 N 0.21 1.03 0.10 0.57 0.02 -0.93 -0.45 113.55 114.10 2qbw h SER 65 Ca 0.07 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2qbw h SER 65 Cb 0.08 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2qbw h SER 65 CO -0.01 0.92 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.48 2qbw h LEU 66 N 1.10 -0.11 -1.26 5.07 3.38 -0.88 -2.90 115.31 119.70 2qbw h LEU 66 Ca 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qbw h LEU 66 Cb 0.20 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2qbw h LEU 66 CO -0.02 0.08 0.42 -0.07 0.09 0.00 0.00 178.44 178.94 2qbw h LEU 67 N -0.30 0.81 -1.45 1.67 3.38 -0.89 -1.76 115.31 116.78 2qbw h LEU 67 Ca -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2qbw h LEU 67 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2qbw h LEU 67 CO 0.02 0.62 -0.22 0.11 0.09 0.00 0.00 178.44 179.06 2qbw h LYS 68 N 0.94 0.00 0.00 1.13 1.57 -1.06 -3.01 116.57 116.14 2qbw h LYS 68 Ca 0.25 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2qbw h LYS 68 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2qbw h LYS 68 CO -0.05 0.22 -0.24 1.79 -0.57 0.00 0.00 179.45 180.61 2qbw h THR 69 N 0.00 0.26 -3.80 -0.16 1.35 -1.11 -3.47 112.91 105.99 2qbw h THR 69 Ca -0.00 -1.37 -0.53 0.00 -0.55 0.00 0.00 66.41 63.96 2qbw h THR 69 Cb 0.58 2.09 0.07 0.00 -1.73 0.00 0.00 68.15 69.17 2qbw h THR 69 CO 0.03 0.15 0.68 -0.36 -0.25 0.00 0.00 175.52 175.77 2qbw s PHE 70 N -3.14 2.97 -0.10 4.73 0.08 -1.14 -4.99 117.98 116.39 2qbw s PHE 70 Ca 0.05 1.30 -0.11 0.00 0.12 0.00 0.00 56.93 58.30 2qbw s PHE 70 Cb 0.06 -3.76 -0.05 0.00 -0.57 0.00 0.00 43.02 38.70 2qbw s PHE 70 CO 0.70 -2.19 0.26 -0.65 -0.10 0.00 0.00 175.22 173.24 2qbw s GLN 71 N -1.57 3.83 2.24 0.44 -0.21 -1.26 -4.92 119.66 118.22 2qbw s GLN 71 Ca 0.51 0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.98 2qbw s GLN 71 Cb -0.41 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.33 2qbw s GLN 71 CO 0.53 0.59 0.00 0.09 -2.12 0.00 0.00 175.29 174.38 2qbw n ASN 72 N 2.42 0.00 -4.76 5.90 5.03 -1.26 -4.63 115.26 117.96 2qbw n ASN 72 Ca -0.16 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.93 2qbw n ASN 72 Cb 0.53 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.21 2qbw n ASN 72 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qbw s THR 73 N 0.00 4.81 -0.15 3.41 2.01 -1.26 -0.10 115.64 124.36 2qbw s THR 73 Ca 0.00 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2qbw s THR 73 Cb 0.00 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.47 2qbw s THR 73 CO 0.00 0.60 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.67 2qbw s VAL 74 N -0.87 1.77 -0.24 3.82 1.01 0.17 -4.97 120.40 121.10 2qbw s VAL 74 Ca 0.13 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 2qbw s VAL 74 Cb -0.12 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2qbw s VAL 74 CO 0.03 0.49 0.65 -0.70 0.00 0.00 0.00 175.10 175.57 2qbw s GLU 75 N 1.22 4.15 -0.02 2.72 2.12 -1.26 -0.74 118.70 126.88 2qbw s GLU 75 Ca 0.01 0.61 0.05 0.00 0.36 0.00 0.00 54.97 56.00 2qbw s GLU 75 Cb -0.14 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 2qbw s GLU 75 CO -0.08 -0.38 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.59 2qbw s LEU 76 N 2.38 2.65 -0.19 2.70 1.43 -0.03 -0.33 118.68 127.28 2qbw s LEU 76 Ca 0.28 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2qbw s LEU 76 Cb -0.16 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 2qbw s LEU 76 CO 0.09 0.32 -0.10 -0.63 0.23 0.00 0.00 176.35 176.25 2qbw s ILE 77 N -0.78 2.92 0.24 -0.59 1.01 -0.31 -0.97 121.20 122.72 2qbw s ILE 77 Ca 0.12 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.22 2qbw s ILE 77 Cb -0.11 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 2qbw s ILE 77 CO 0.02 0.47 -0.19 0.27 0.00 0.00 0.00 174.94 175.51 2qbw s ILE 78 N 1.26 2.24 -0.15 2.92 -5.25 0.04 -0.89 121.20 121.36 2qbw s ILE 78 Ca 0.03 -2.25 -0.01 0.00 -0.99 0.00 0.00 60.65 57.43 2qbw s ILE 78 Cb -0.14 -2.17 -0.01 0.00 2.95 0.00 0.00 42.46 43.09 2qbw s ILE 78 CO -0.05 -0.38 -0.12 -0.69 -1.79 0.00 0.00 174.94 171.91 2qbw s VAL 79 N -2.40 3.01 -0.04 8.37 1.01 0.43 -0.52 120.40 130.25 2qbw s VAL 79 Ca 0.25 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.63 2qbw s VAL 79 Cb -0.05 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2qbw s VAL 79 CO 0.12 0.51 -0.22 -0.60 0.00 0.00 0.00 175.10 174.90 2qbw s ARG 80 N 0.66 2.17 -0.04 2.72 3.52 0.12 -1.61 118.95 126.49 2qbw s ARG 80 Ca -0.06 -0.79 -0.20 0.00 -0.13 0.00 0.00 55.73 54.54 2qbw s ARG 80 Cb -0.15 -1.89 -0.05 0.00 -1.56 0.00 0.00 34.95 31.29 2qbw s ARG 80 CO 0.02 0.36 0.59 -2.00 -0.81 0.00 0.00 175.30 173.46 2qbw s GLU 81 N -0.18 4.33 -0.01 5.12 2.12 -1.26 -0.78 118.70 128.04 2qbw s GLU 81 Ca -0.01 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.03 2qbw s GLU 81 Cb -0.12 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 2qbw s GLU 81 CO 0.02 0.28 0.01 1.33 -0.54 0.00 0.00 175.26 176.36 2qbw n VAL 82 N 3.09 0.07 0.00 3.70 0.24 -0.13 -4.98 118.33 120.32 2qbw n VAL 82 Ca -0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2qbw n VAL 82 Cb 0.51 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 2qbw n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbw n GLY 83 N 2.84 0.00 2.25 7.63 0.00 -1.24 -4.98 105.19 111.70 2qbw n GLY 83 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2qbw n GLY 83 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbw n ASN 84 N 0.00 7.92 0.00 1.61 2.85 -1.26 -4.08 115.26 122.30 2qbw n ASN 84 Ca 0.00 -2.59 0.00 0.00 -0.11 0.00 0.00 54.58 51.88 2qbw n ASN 84 Cb 0.00 -1.51 0.00 0.00 1.24 0.00 0.00 39.78 39.51 2qbw n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbw n GLY 85 N 3.20 2.68 3.77 8.20 0.00 -1.26 -5.06 105.19 116.73 2qbw n GLY 85 Ca 0.70 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 2qbw n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbw s ALA 86 N -1.33 3.47 0.01 4.61 0.00 -1.26 -4.91 121.76 122.36 2qbw s ALA 86 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2qbw s ALA 86 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2qbw s ALA 86 CO 0.00 -0.69 -0.02 0.15 0.00 0.00 0.00 175.76 175.19 2qbw s LYS 87 N -1.87 0.21 -0.00 0.00 1.02 -1.26 -0.95 119.74 116.87 2qbw s LYS 87 Ca 0.50 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 56.25 2qbw s LYS 87 Cb -0.40 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 36.86 2qbw s LYS 87 CO 0.53 -0.00 -0.22 -0.65 -0.92 0.00 0.00 175.35 174.09 2qbw s GLN 88 N -0.69 1.71 -0.27 1.68 -0.21 0.04 -4.96 119.66 116.95 2qbw s GLN 88 Ca -0.07 -0.83 -0.08 0.00 0.02 0.00 0.00 55.36 54.41 2qbw s GLN 88 Cb -0.05 -1.69 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 2qbw s GLN 88 CO -0.00 0.46 0.11 -2.00 -2.12 0.00 0.00 175.29 171.73 2qbw s GLU 89 N -0.66 3.55 -0.11 2.91 2.12 -1.26 -0.70 118.70 124.55 2qbw s GLU 89 Ca 0.08 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2qbw s GLU 89 Cb -0.09 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 2qbw s GLU 89 CO -0.00 -0.27 -0.18 0.42 -0.54 0.00 0.00 175.26 174.69 2qbw s ILE 90 N 1.62 2.61 -0.23 -3.70 1.01 0.32 -4.95 121.20 117.88 2qbw s ILE 90 Ca 0.06 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 2qbw s ILE 90 Cb -0.16 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2qbw s ILE 90 CO 0.05 0.54 0.06 -0.60 0.00 0.00 0.00 174.94 174.99 2qbw s ARG 91 N 0.31 3.71 0.16 2.79 3.52 -1.26 -0.78 118.95 127.40 2qbw s ARG 91 Ca -0.14 -0.46 0.06 0.00 -0.13 0.00 0.00 55.73 55.06 2qbw s ARG 91 Cb -0.17 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2qbw s ARG 91 CO 0.07 -0.06 -0.12 0.14 -0.81 0.00 0.00 175.30 174.52 2qbw s VAL 92 N 1.25 1.39 -0.16 7.11 -7.23 -0.14 -5.00 120.40 117.62 2qbw s VAL 92 Ca 0.04 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2qbw s VAL 92 Cb -0.15 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.94 2qbw s VAL 92 CO 0.03 -0.64 -0.19 -0.13 -0.31 0.00 0.00 175.10 173.86 2qbw s ARG 93 N -3.55 3.06 -0.13 4.82 0.52 -1.26 -0.85 118.95 121.56 2qbw s ARG 93 Ca 0.18 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 2qbw s ARG 93 Cb 0.00 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 2qbw s ARG 93 CO 0.03 -0.11 -0.10 0.08 0.02 0.00 0.00 175.30 175.23 2qbw s VAL 94 N 1.06 3.37 -0.31 3.52 1.01 0.08 -4.94 120.40 124.18 2qbw s VAL 94 Ca -0.01 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 2qbw s VAL 94 Cb -0.14 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2qbw s VAL 94 CO -0.07 0.52 0.26 -1.61 0.00 0.00 0.00 175.10 174.21 2qbw s GLU 95 N 0.25 3.76 0.22 2.72 2.02 -1.26 -0.65 118.70 125.75 2qbw s GLU 95 Ca -0.07 -0.38 -0.32 0.00 0.02 0.00 0.00 54.97 54.22 2qbw s GLU 95 Cb -0.15 -3.73 -0.12 0.00 0.10 0.00 0.00 34.13 30.23 2qbw s GLU 95 CO 0.04 -0.33 1.68 1.63 0.02 0.00 0.00 175.26 178.30 2qbw n LYS 96 N 5.17 2.66 -3.64 1.61 5.02 0.85 -4.75 118.16 125.08 2qbw n LYS 96 Ca -0.12 0.96 -0.02 0.00 -2.02 0.00 0.00 58.31 57.10 2qbw n LYS 96 Cb 0.51 -2.78 -0.04 0.00 -0.02 0.00 0.00 35.03 32.70 2qbw n LYS 96 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2qbw s ASP 97 N 1.01 -0.05 0.00 4.39 -1.08 0.16 -4.95 116.67 116.15 2qbw s ASP 97 Ca 0.74 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.82 2qbw s ASP 97 Cb -0.53 0.05 0.00 0.00 -1.46 0.00 0.00 42.92 40.97 2qbw s ASP 97 CO 0.36 -0.06 0.00 -1.54 0.52 0.00 0.00 175.17 174.45 2qbw n SER 104 N 0.45 0.00 -3.85 -0.34 3.41 -1.26 -4.59 113.62 107.44 2qbw n SER 104 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2qbw n SER 104 Cb 0.59 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 2qbw n SER 104 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qbw s SER 105 N -4.00 -0.12 -0.07 4.04 1.04 -1.26 -4.75 113.70 108.58 2qbw s SER 105 Ca 0.00 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2qbw s SER 105 Cb 0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.67 2qbw s SER 105 CO 0.00 -1.00 -0.05 -0.69 0.98 0.00 0.00 173.24 172.48 2qbw s VAL 106 N -3.92 0.69 0.30 5.02 1.01 -0.55 -4.39 120.40 118.55 2qbw s VAL 106 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2qbw s VAL 106 Cb 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.72 2qbw s VAL 106 CO -0.01 0.29 0.35 -0.81 0.00 0.00 0.00 175.10 174.92 2qbw n PRO 107 N 4.59 -0.78 -4.51 2.72 -0.04 -1.26 -3.83 135.00 131.89 2qbw n PRO 107 Ca -0.16 -0.55 -0.24 0.00 -0.04 0.00 0.00 63.50 62.51 2qbw n PRO 107 Cb 0.50 -0.41 -0.10 0.00 -0.04 0.00 0.00 33.50 33.45 2qbw n PRO 107 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qbw s THR 108 N -1.73 2.04 -1.16 0.52 -4.23 -1.26 -4.67 115.64 105.15 2qbw s THR 108 Ca 0.21 -2.17 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 2qbw s THR 108 Cb -0.01 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 2qbw s THR 108 CO 0.15 -0.23 0.80 0.59 -0.54 0.00 0.00 174.62 175.39 2qbw n ASN 109 N -0.73 -4.48 -4.69 3.99 3.02 -1.26 -1.18 115.26 109.93 2qbw n ASN 109 Ca -0.05 -0.89 -0.42 0.00 -0.03 0.00 0.00 54.58 53.19 2qbw n ASN 109 Cb 0.64 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 2qbw n ASN 109 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2qbw s LEU 110 N -6.26 4.29 0.05 3.41 2.96 -1.26 -4.18 118.68 117.70 2qbw s LEU 110 Ca 0.34 1.91 -0.04 0.00 -0.22 0.00 0.00 54.13 56.11 2qbw s LEU 110 Cb -0.09 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2qbw s LEU 110 CO 0.82 -0.62 0.06 -1.61 -1.32 0.00 0.00 176.35 173.68 2qbw s GLU 111 N 2.22 0.61 -0.23 1.98 2.02 -0.20 -4.95 118.70 120.15 2qbw s GLU 111 Ca 0.58 -0.91 -0.17 0.00 0.02 0.00 0.00 54.97 54.50 2qbw s GLU 111 Cb -0.27 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 2qbw s GLU 111 CO 0.23 -0.15 0.45 0.08 0.02 0.00 0.00 175.26 175.90 2qbw s VAL 112 N -3.08 5.14 -0.12 2.63 1.01 -1.26 -0.65 120.40 124.06 2qbw s VAL 112 Ca -0.01 0.78 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 2qbw s VAL 112 Cb 0.02 -3.77 -0.26 0.00 0.00 0.00 0.00 36.38 32.37 2qbw s VAL 112 CO -0.07 0.17 0.49 0.58 0.00 0.00 0.00 175.10 176.27 2qbw h VAL 113 N 5.24 1.01 -2.96 2.92 2.07 -0.68 -3.48 116.25 120.37 2qbw h VAL 113 Ca -0.32 -2.35 -0.13 0.00 0.82 0.00 0.00 66.70 64.71 2qbw h VAL 113 Cb 1.15 2.65 -0.22 0.00 -1.52 0.00 0.00 31.29 33.35 2qbw h VAL 113 CO 0.70 0.65 -0.29 0.00 0.02 0.00 0.00 177.57 178.66 2qbw s ALA 114 N -2.45 -0.83 0.00 1.67 0.00 -1.15 -5.01 121.76 113.99 2qbw s ALA 114 Ca -0.22 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 2qbw s ALA 114 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2qbw s ALA 114 CO 0.73 -0.22 0.04 0.00 0.00 0.00 0.00 175.76 176.32 2qbw s ALA 115 N -0.61 -0.08 0.42 0.00 0.00 -1.26 -0.02 121.76 120.20 2qbw s ALA 115 Ca -0.07 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2qbw s ALA 115 Cb -0.04 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2qbw s ALA 115 CO 0.02 -0.14 0.04 0.95 0.00 0.00 0.00 175.76 176.63 2qbw s THR 116 N -1.08 1.28 0.60 0.00 -4.23 -0.29 -5.00 115.64 106.92 2qbw s THR 116 Ca -0.12 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.70 2qbw s THR 116 Cb -0.07 -2.56 0.37 0.00 1.34 0.00 0.00 72.50 71.57 2qbw s THR 116 CO 0.00 0.00 2.17 -0.65 -0.54 0.00 0.00 174.62 175.60 2qbw h PRO 117 N 1.72 0.00 0.00 3.99 0.11 -1.98 -3.05 132.00 132.79 2qbw h PRO 117 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2qbw h PRO 117 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qbw h PRO 117 CO 0.71 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.75 2qbw n THR 118 N -3.67 0.95 -3.63 -1.15 -2.24 -1.26 -3.33 114.28 99.95 2qbw n THR 118 Ca -0.01 -0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 60.71 2qbw n THR 118 Cb 0.23 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.93 2qbw n THR 118 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qbw s SER 119 N -0.95 -0.31 -0.00 3.42 1.04 -1.15 -1.11 113.70 114.63 2qbw s SER 119 Ca 0.00 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.37 2qbw s SER 119 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2qbw s SER 119 CO 0.00 -0.75 -0.02 -0.76 0.98 0.00 0.00 173.24 172.69 2qbw s LEU 120 N -2.28 1.93 -0.29 2.42 1.43 -0.17 -1.14 118.68 120.58 2qbw s LEU 120 Ca -0.02 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2qbw s LEU 120 Cb 0.00 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 2qbw s LEU 120 CO -0.06 0.02 0.12 -0.22 0.23 0.00 0.00 176.35 176.44 2qbw s LEU 121 N 0.04 3.87 0.16 1.79 2.96 0.97 -0.83 118.68 127.64 2qbw s LEU 121 Ca -0.00 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2qbw s LEU 121 Cb -0.02 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2qbw s LEU 121 CO -0.00 -0.14 0.14 0.27 -1.32 0.00 0.00 176.35 175.30 2qbw s ILE 122 N 1.60 4.54 0.10 6.68 -4.36 -0.33 0.08 121.20 129.51 2qbw s ILE 122 Ca 0.05 -1.04 0.02 0.00 -0.26 0.00 0.00 60.65 59.42 2qbw s ILE 122 Cb -0.16 -3.31 -0.04 0.00 1.25 0.00 0.00 42.46 40.19 2qbw s ILE 122 CO 0.05 -0.09 -0.06 -0.94 0.24 0.00 0.00 174.94 174.13 2qbw s SER 123 N -3.07 1.14 0.22 4.36 1.04 0.18 -1.81 113.70 115.76 2qbw s SER 123 Ca 0.31 -1.01 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 2qbw s SER 123 Cb -0.10 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 2qbw s SER 123 CO 0.24 -0.47 0.42 -1.66 0.98 0.00 0.00 173.24 172.75 2qbw s TRP 124 N -3.63 0.38 0.09 5.02 -2.14 -0.27 -1.03 118.94 117.37 2qbw s TRP 124 Ca 0.12 -0.73 -0.31 0.00 2.66 0.00 0.00 56.10 57.84 2qbw s TRP 124 Cb 0.05 0.11 -0.07 0.00 -3.10 0.00 0.00 33.47 30.46 2qbw s TRP 124 CO -0.05 -0.91 1.33 -0.51 -2.66 0.00 0.00 176.95 174.15 2qbw s ASP 125 N -3.01 6.90 -0.06 -2.66 -0.00 -0.33 -4.78 116.67 112.74 2qbw s ASP 125 Ca 0.22 2.22 -0.30 0.00 -0.00 0.00 0.00 52.55 54.69 2qbw s ASP 125 Cb 0.01 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.30 2qbw s ASP 125 CO 0.07 -0.60 1.41 0.00 -0.00 0.00 0.00 175.17 176.05 2qbw s ALA 126 N 1.15 3.61 -0.15 5.23 0.00 -1.26 -4.62 121.76 125.72 2qbw s ALA 126 Ca 0.63 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2qbw s ALA 126 Cb -0.34 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.17 2qbw s ALA 126 CO 0.30 -1.09 -0.12 0.45 0.00 0.00 0.00 175.76 175.30 2qbw s SER 127 N 2.22 2.66 -0.01 0.00 0.15 -1.26 -5.06 113.70 112.40 2qbw s SER 127 Ca 0.63 -0.49 0.14 0.00 0.70 0.00 0.00 55.95 56.92 2qbw s SER 127 Cb -0.29 -1.12 0.42 0.00 -1.71 0.00 0.00 66.02 63.32 2qbw s SER 127 CO 0.24 -0.08 1.34 -1.22 1.20 0.00 0.00 173.24 174.71 2qbw n TYR 128 N 4.80 0.67 -4.12 3.44 0.53 -1.26 -4.84 117.16 116.37 2qbw n TYR 128 Ca -0.16 -0.32 -0.13 0.00 -1.02 0.00 0.00 57.90 56.27 2qbw n TYR 128 Cb 0.50 -0.03 -0.11 0.00 -1.03 0.00 0.00 39.34 38.67 2qbw n TYR 128 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 2qbw s TYR 129 N -1.43 0.85 0.00 -0.72 1.51 -1.26 -4.84 117.35 111.45 2qbw s TYR 129 Ca 0.31 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 2qbw s TYR 129 Cb 0.17 -0.49 0.00 0.00 -0.11 0.00 0.00 41.96 41.53 2qbw s TYR 129 CO 0.20 -0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.98 2qbw n GLY 130 N 0.82 1.31 3.12 0.71 0.00 -1.26 -5.02 105.19 104.86 2qbw n GLY 130 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2qbw n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbw s VAL 131 N -2.95 1.66 -0.06 1.61 1.01 -1.26 -4.41 120.40 116.00 2qbw s VAL 131 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 2qbw s VAL 131 Cb 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 36.38 34.60 2qbw s VAL 131 CO 0.00 0.47 0.88 -1.28 0.00 0.00 0.00 175.10 175.17 2qbw h SER 132 N 7.03 0.42 -4.80 3.32 0.87 0.07 -3.44 113.55 117.02 2qbw h SER 132 Ca -0.27 -0.96 0.11 0.00 -1.23 0.00 0.00 61.79 59.44 2qbw h SER 132 Cb 1.20 -0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 62.89 2qbw h SER 132 CO 0.48 1.35 0.46 -0.72 -0.53 0.00 0.00 176.83 177.87 2qbw s TYR 133 N -2.41 -0.33 -0.04 2.24 -0.85 -1.18 -4.11 117.35 110.67 2qbw s TYR 133 Ca -0.14 0.16 -0.01 0.00 -0.52 0.00 0.00 57.07 56.55 2qbw s TYR 133 Cb 0.00 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 2qbw s TYR 133 CO 0.82 -0.63 0.06 0.71 -1.52 0.00 0.00 175.55 174.98 2qbw s TYR 134 N -3.23 3.26 -0.13 -3.49 2.02 -0.58 -1.49 117.35 113.72 2qbw s TYR 134 Ca 0.06 0.22 -0.00 0.00 -0.37 0.00 0.00 57.07 56.98 2qbw s TYR 134 Cb -0.01 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2qbw s TYR 134 CO -0.07 0.54 -0.11 0.50 -1.57 0.00 0.00 175.55 174.83 2qbw s ARG 135 N -1.41 3.34 -0.17 -0.62 3.52 0.07 -1.37 118.95 122.30 2qbw s ARG 135 Ca 0.19 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 55.11 2qbw s ARG 135 Cb -0.12 -2.66 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 2qbw s ARG 135 CO 0.09 0.27 -0.07 0.42 -0.81 0.00 0.00 175.30 175.21 2qbw s ILE 136 N 0.21 3.41 0.13 4.11 1.09 0.43 -0.22 121.20 130.36 2qbw s ILE 136 Ca -0.07 -0.51 0.11 0.00 -1.10 0.00 0.00 60.65 59.08 2qbw s ILE 136 Cb -0.15 -2.50 -0.04 0.00 -1.06 0.00 0.00 42.46 38.71 2qbw s ILE 136 CO 0.05 0.48 -0.25 0.42 -0.10 0.00 0.00 174.94 175.53 2qbw s THR 137 N 0.80 2.38 -0.14 2.92 -4.23 0.03 -1.47 115.64 115.91 2qbw s THR 137 Ca -0.03 -1.72 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 2qbw s THR 137 Cb -0.15 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.67 2qbw s THR 137 CO 0.01 0.09 0.38 -0.72 -0.54 0.00 0.00 174.62 173.85 2qbw s TYR 138 N -1.09 -0.43 0.20 3.99 1.13 -0.22 -1.08 117.35 119.85 2qbw s TYR 138 Ca 0.15 1.04 -0.22 0.00 -1.41 0.00 0.00 57.07 56.62 2qbw s TYR 138 Cb -0.10 0.15 0.05 0.00 -1.10 0.00 0.00 41.96 40.96 2qbw s TYR 138 CO 0.07 -0.21 0.66 0.20 -2.51 0.00 0.00 175.55 173.76 2qbw s GLY 139 N 0.25 -0.41 0.23 5.49 0.00 -1.07 -1.51 107.32 110.30 2qbw s GLY 139 Ca -0.00 0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.61 2qbw s GLY 139 CO 0.00 0.07 1.56 -0.54 0.00 0.00 0.00 173.10 174.19 2qbw s GLU 140 N -3.78 4.19 0.20 2.90 2.02 -1.26 -1.12 118.70 121.85 2qbw s GLU 140 Ca 0.05 2.44 -0.32 0.00 0.02 0.00 0.00 54.97 57.16 2qbw s GLU 140 Cb -0.03 -3.09 -0.11 0.00 0.10 0.00 0.00 34.13 30.99 2qbw s GLU 140 CO -0.05 -0.58 1.66 0.99 0.02 0.00 0.00 175.26 177.30 2qbw s THR 141 N 0.51 2.21 0.00 3.63 2.01 -0.47 -0.96 115.64 122.58 2qbw s THR 141 Ca 0.66 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2qbw s THR 141 Cb -0.45 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2qbw s THR 141 CO 0.39 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2qbw n GLY 142 N 3.73 0.50 3.86 4.40 0.00 -1.26 -4.99 105.19 111.43 2qbw n GLY 142 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2qbw n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbw s GLY 143 N -2.00 1.81 0.00 -0.02 0.00 -0.13 -5.00 107.32 101.99 2qbw s GLY 143 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 44.72 44.91 2qbw s GLY 143 CO 0.00 0.27 0.94 0.70 0.00 0.00 0.00 173.10 175.01 2qbw n ASN 144 N -2.28 1.78 -4.79 1.64 5.03 -1.26 -4.97 115.26 110.41 2qbw n ASN 144 Ca 0.06 -1.39 -0.34 0.00 0.87 0.00 0.00 54.58 53.78 2qbw n ASN 144 Cb 0.54 0.47 -0.01 0.00 -1.02 0.00 0.00 39.78 39.76 2qbw n ASN 144 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2qbw s SER 145 N -2.10 5.93 0.42 6.41 0.01 -1.26 -4.98 113.70 118.12 2qbw s SER 145 Ca 0.15 1.95 -0.25 0.00 1.31 0.00 0.00 55.95 59.11 2qbw s SER 145 Cb 0.15 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.73 2qbw s SER 145 CO 0.46 -1.07 1.27 -2.65 0.41 0.00 0.00 173.24 171.66 2qbw n PRO 146 N -1.50 1.92 -1.45 12.44 -0.02 -1.26 -4.95 135.00 140.17 2qbw n PRO 146 Ca 0.10 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 2qbw n PRO 146 Cb 0.52 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.71 2qbw n PRO 146 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qbw s VAL 147 N -1.20 2.59 0.31 -1.45 -7.23 -1.26 -4.99 120.40 107.17 2qbw s VAL 147 Ca 0.61 0.27 -0.06 0.00 -1.81 0.00 0.00 61.98 60.99 2qbw s VAL 147 Cb -0.51 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 2qbw s VAL 147 CO 0.58 -0.17 0.59 -1.10 -0.31 0.00 0.00 175.10 174.69 2qbw s GLN 148 N -4.07 3.66 0.15 4.82 -0.21 -0.57 -4.94 119.66 118.50 2qbw s GLN 148 Ca 0.71 0.09 -0.21 0.00 0.02 0.00 0.00 55.36 55.97 2qbw s GLN 148 Cb -0.26 -2.60 0.06 0.00 1.00 0.00 0.00 33.01 31.21 2qbw s GLN 148 CO 0.46 0.17 0.53 -1.83 -2.12 0.00 0.00 175.29 172.50 2qbw s GLU 149 N -3.61 1.22 0.21 2.91 -1.05 -1.26 -1.05 118.70 116.07 2qbw s GLU 149 Ca 0.45 -0.56 -0.21 0.00 -0.15 0.00 0.00 54.97 54.50 2qbw s GLU 149 Cb -0.11 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.18 2qbw s GLU 149 CO 0.30 -0.52 0.64 -0.59 0.95 0.00 0.00 175.26 176.04 2qbw s PHE 150 N -3.77 -0.32 0.15 4.83 -0.12 -0.55 -5.01 117.98 113.20 2qbw s PHE 150 Ca 0.02 -0.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.97 2qbw s PHE 150 Cb -0.00 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2qbw s PHE 150 CO -0.12 -1.02 -0.09 0.95 -0.05 0.00 0.00 175.22 174.89 2qbw s THR 151 N -3.84 3.31 0.08 -4.49 -4.23 -1.26 -0.43 115.64 104.78 2qbw s THR 151 Ca 0.07 -1.50 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 2qbw s THR 151 Cb -0.03 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 2qbw s THR 151 CO -0.03 -0.04 -0.09 0.68 -0.54 0.00 0.00 174.62 174.60 2qbw s VAL 152 N -1.54 0.79 0.92 2.29 -7.23 -0.47 -4.98 120.40 110.17 2qbw s VAL 152 Ca 0.24 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 2qbw s VAL 152 Cb -0.10 -1.17 0.14 0.00 0.56 0.00 0.00 36.38 35.82 2qbw s VAL 152 CO 0.15 -0.54 1.10 -2.16 -0.31 0.00 0.00 175.10 173.34 2qbw s PRO 153 N -2.53 1.07 0.63 4.82 0.04 -1.26 -1.53 135.00 136.23 2qbw s PRO 153 Ca 0.01 0.68 0.36 0.00 0.04 0.00 0.00 61.00 62.09 2qbw s PRO 153 Cb -0.04 -1.80 2.05 0.00 0.04 0.00 0.00 34.50 34.75 2qbw s PRO 153 CO -0.01 -2.34 2.28 0.10 0.04 0.00 0.00 177.00 177.08 2qbw h TYR 154 N -1.61 0.00 -0.00 0.56 -0.00 -1.86 -2.05 116.97 112.02 2qbw h TYR 154 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.22 2qbw h TYR 154 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.03 2qbw h TYR 154 CO 0.38 0.00 -0.09 -1.13 -0.00 0.00 0.00 178.16 177.32 2qbw n SER 155 N -3.50 0.34 -4.83 0.10 3.41 -1.26 -4.74 113.62 103.13 2qbw n SER 155 Ca -0.03 -0.45 -0.36 0.00 -0.26 0.00 0.00 58.87 57.78 2qbw n SER 155 Cb 0.11 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 2qbw n SER 155 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2qbw s SER 156 N -2.51 6.94 -0.04 4.04 0.01 -0.77 -4.96 113.70 116.42 2qbw s SER 156 Ca 0.28 1.26 0.05 0.00 1.31 0.00 0.00 55.95 58.85 2qbw s SER 156 Cb 0.20 -2.36 0.08 0.00 0.21 0.00 0.00 66.02 64.15 2qbw s SER 156 CO 0.48 0.06 0.98 -1.54 0.41 0.00 0.00 173.24 173.62 2qbw n SER 157 N 0.72 0.78 -3.79 2.44 3.41 -1.26 -4.89 113.62 111.03 2qbw n SER 157 Ca -0.03 -2.17 -0.10 0.00 -0.26 0.00 0.00 58.87 56.31 2qbw n SER 157 Cb 0.51 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 2qbw n SER 157 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qbw s THR 158 N -0.86 0.11 0.00 6.66 -4.23 -1.26 -1.12 115.64 114.95 2qbw s THR 158 Ca 0.09 -0.94 -0.22 0.00 -1.18 0.00 0.00 61.69 59.44 2qbw s THR 158 Cb 0.08 -1.19 0.05 0.00 1.34 0.00 0.00 72.50 72.77 2qbw s THR 158 CO 0.01 -0.52 0.50 0.00 -0.54 0.00 0.00 174.62 174.07 2qbw s ALA 159 N -3.50 -1.27 -0.15 3.99 0.00 -0.75 -5.00 121.76 115.08 2qbw s ALA 159 Ca 0.02 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 2qbw s ALA 159 Cb 0.03 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 2qbw s ALA 159 CO -0.09 -0.40 -0.08 0.99 0.00 0.00 0.00 175.76 176.18 2qbw s THR 160 N -1.83 3.48 -0.21 0.00 2.01 -1.26 -1.19 115.64 116.64 2qbw s THR 160 Ca -0.09 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 2qbw s THR 160 Cb -0.02 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2qbw s THR 160 CO 0.03 0.50 0.02 -0.63 -0.69 0.00 0.00 174.62 173.85 2qbw s ILE 161 N 0.44 4.10 0.37 1.82 1.01 -0.01 -4.98 121.20 123.95 2qbw s ILE 161 Ca -0.06 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.40 2qbw s ILE 161 Cb -0.15 -2.87 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 2qbw s ILE 161 CO 0.04 0.41 -0.01 -0.44 0.00 0.00 0.00 174.94 174.93 2qbw s SER 162 N 1.11 3.52 -0.20 3.58 0.01 -1.26 -1.00 113.70 119.46 2qbw s SER 162 Ca 0.03 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2qbw s SER 162 Cb -0.14 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2qbw s SER 162 CO 0.02 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2qbw n GLY 163 N -0.85 0.43 3.88 3.44 0.00 -0.93 -4.96 105.19 106.19 2qbw n GLY 163 Ca -0.05 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 2qbw n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbw s LEU 164 N -0.51 3.62 -0.03 0.99 1.43 -0.27 -5.06 118.68 118.85 2qbw s LEU 164 Ca 0.00 1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 53.98 2qbw s LEU 164 Cb 0.00 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 2qbw s LEU 164 CO 0.00 -0.57 0.82 -0.54 0.23 0.00 0.00 176.35 176.29 2qbw s LYS 165 N -4.46 4.49 0.38 1.70 1.02 -1.26 -4.46 119.74 117.16 2qbw s LYS 165 Ca 0.51 1.11 -0.27 0.00 0.02 0.00 0.00 55.97 57.34 2qbw s LYS 165 Cb -0.10 -3.45 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 2qbw s LYS 165 CO 0.41 0.04 1.29 -1.25 -0.92 0.00 0.00 175.35 174.91 2qbw s PRO 166 N 0.82 4.09 -0.91 -1.68 0.04 -1.21 -3.55 135.00 132.60 2qbw s PRO 166 Ca 0.43 2.14 -0.02 0.00 0.04 0.00 0.00 61.00 63.60 2qbw s PRO 166 Cb -0.19 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2qbw s PRO 166 CO 0.22 -0.38 0.22 0.41 0.04 0.00 0.00 177.00 177.51 2qbw n GLY 167 N 0.70 -0.03 3.18 0.56 0.00 -1.26 -4.97 105.19 103.36 2qbw n GLY 167 Ca 0.03 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 2qbw n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbw s VAL 168 N -2.78 1.41 -0.10 1.61 1.01 -1.23 -4.89 120.40 115.44 2qbw s VAL 168 Ca 0.11 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 2qbw s VAL 168 Cb -0.05 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2qbw s VAL 168 CO 0.13 0.36 0.98 -1.81 0.00 0.00 0.00 175.10 174.77 2qbw s ASP 169 N -0.51 7.23 0.07 3.32 1.01 -1.26 -2.74 116.67 123.80 2qbw s ASP 169 Ca 0.07 1.51 0.09 0.00 0.71 0.00 0.00 52.55 54.93 2qbw s ASP 169 Cb -0.07 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2qbw s ASP 169 CO -0.00 -0.41 -0.24 -0.31 0.21 0.00 0.00 175.17 174.42 2qbw s TYR 170 N 1.86 2.40 -0.20 4.23 1.51 -0.01 -1.36 117.35 125.77 2qbw s TYR 170 Ca 0.48 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 56.13 2qbw s TYR 170 Cb -0.18 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 2qbw s TYR 170 CO 0.19 0.24 0.01 0.99 -1.11 0.00 0.00 175.55 175.86 2qbw s THR 171 N -0.94 3.98 -0.13 -0.71 2.01 -0.28 -0.60 115.64 118.98 2qbw s THR 171 Ca 0.14 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2qbw s THR 171 Cb -0.10 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 2qbw s THR 171 CO 0.05 0.42 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.63 2qbw s ILE 172 N 1.05 2.98 -0.03 1.82 1.01 0.29 -2.58 121.20 125.75 2qbw s ILE 172 Ca 0.02 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2qbw s ILE 172 Cb -0.14 -2.24 -0.00 0.00 0.01 0.00 0.00 42.46 40.08 2qbw s ILE 172 CO 0.02 0.53 -0.13 -0.89 0.00 0.00 0.00 174.94 174.46 2qbw s THR 173 N 0.34 1.09 -0.14 2.92 2.01 -0.25 -0.72 115.64 120.89 2qbw s THR 173 Ca -0.11 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2qbw s THR 173 Cb -0.16 -0.93 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 2qbw s THR 173 CO 0.06 0.32 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.45 2qbw s VAL 174 N -0.04 2.63 -0.10 3.82 1.01 0.03 -0.79 120.40 126.97 2qbw s VAL 174 Ca -0.00 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2qbw s VAL 174 Cb -0.08 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2qbw s VAL 174 CO 0.01 0.53 -0.11 -0.31 0.00 0.00 0.00 175.10 175.21 2qbw s TYR 175 N 0.59 2.82 -0.29 5.22 1.51 0.70 -2.25 117.35 125.65 2qbw s TYR 175 Ca -0.10 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 2qbw s TYR 175 Cb -0.16 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2qbw s TYR 175 CO 0.03 0.04 -0.00 0.00 -1.11 0.00 0.00 175.55 174.51 2qbw s ALA 176 N -0.22 2.83 -0.08 3.71 0.00 -1.25 -0.75 121.76 126.00 2qbw s ALA 176 Ca 0.01 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.20 2qbw s ALA 176 Cb -0.13 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 2qbw s ALA 176 CO 0.03 -1.11 0.33 0.71 0.00 0.00 0.00 175.76 175.72 2qbw s TYR 177 N 1.31 3.60 -0.18 0.00 1.51 -0.55 -1.71 117.35 121.34 2qbw s TYR 177 Ca -0.03 0.78 0.17 0.00 -1.01 0.00 0.00 57.07 56.99 2qbw s TYR 177 Cb -0.19 -2.27 0.01 0.00 -0.11 0.00 0.00 41.96 39.41 2qbw s TYR 177 CO -0.01 0.49 1.18 0.66 -1.11 0.00 0.00 175.55 176.76 2qbw h SER 178 N 5.54 0.00 -2.92 2.29 4.64 -1.42 0.58 113.55 122.26 2qbw h SER 178 Ca -0.48 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.21 2qbw h SER 178 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 2qbw h SER 178 CO 0.66 0.42 -0.74 1.51 -0.87 0.00 0.00 176.83 177.81 2qbw s ASP 179 N -6.05 4.02 0.53 4.97 -4.77 -1.26 -3.82 116.67 110.30 2qbw s ASP 179 Ca 0.01 -0.69 0.31 0.00 -3.30 0.00 0.00 52.55 48.88 2qbw s ASP 179 Cb 0.08 -0.58 1.16 0.00 -1.09 0.00 0.00 42.92 42.49 2qbw s ASP 179 CO 0.77 0.09 1.91 0.10 0.70 0.00 0.00 175.17 178.74 2qbw h TYR 180 N 2.84 0.00 -0.30 2.11 -0.00 -1.94 -2.98 116.97 116.70 2qbw h TYR 180 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 2qbw h TYR 180 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.94 2qbw h TYR 180 CO 0.67 0.00 0.00 2.48 -0.00 0.00 0.00 178.16 181.31 2qbw n TYR 181 N -3.09 0.39 -1.42 0.10 4.11 -1.26 -4.95 117.16 111.04 2qbw n TYR 181 Ca 0.01 -0.19 -0.06 0.00 -0.00 0.00 0.00 57.90 57.66 2qbw n TYR 181 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.67 2qbw n TYR 181 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2qbw n GLY 182 N 1.37 0.64 0.09 -7.48 0.00 -1.13 -4.93 105.19 93.74 2qbw n GLY 182 Ca 0.18 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 2qbw n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qbw h SER 183 N 0.00 0.18 -3.14 1.61 4.64 -1.93 -3.45 113.55 111.47 2qbw h SER 183 Ca -0.12 -0.23 -0.63 0.00 -0.47 0.00 0.00 61.79 60.33 2qbw h SER 183 Cb 0.57 -0.06 -0.35 0.00 -0.31 0.00 0.00 62.40 62.25 2qbw h SER 183 CO 0.17 1.19 -0.85 -2.28 -0.87 0.00 0.00 176.83 174.19 2qbw s HIS 184 N -2.65 2.38 0.20 4.77 5.65 -1.26 -5.10 115.29 119.27 2qbw s HIS 184 Ca -0.04 -1.31 0.11 0.00 0.25 0.00 0.00 55.06 54.08 2qbw s HIS 184 Cb 0.08 -1.69 -0.04 0.00 -1.18 0.00 0.00 32.58 29.75 2qbw s HIS 184 CO 0.84 -0.67 -0.21 -3.38 -0.65 0.00 0.00 174.74 170.68 2qbw s HIS 185 N 1.24 2.37 0.95 3.88 -3.43 -1.26 -1.34 115.29 117.70 2qbw s HIS 185 Ca 0.01 -0.33 -0.13 0.00 -0.80 0.00 0.00 55.06 53.81 2qbw s HIS 185 Cb -0.14 -1.16 0.16 0.00 -1.43 0.00 0.00 32.58 30.01 2qbw s HIS 185 CO -0.08 0.51 1.13 0.71 -2.00 0.00 0.00 174.74 175.01 2qbw s TYR 186 N -1.72 2.30 0.05 0.38 1.51 -0.69 -4.95 117.35 114.23 2qbw s TYR 186 Ca 0.22 0.87 -0.34 0.00 -1.01 0.00 0.00 57.07 56.81 2qbw s TYR 186 Cb -0.08 -3.37 -0.13 0.00 -0.11 0.00 0.00 41.96 38.27 2qbw s TYR 186 CO 0.11 -2.61 1.67 0.43 -1.11 0.00 0.00 175.55 174.05 2qbw n SER 187 N -3.94 3.09 -4.70 2.29 7.64 -1.26 -4.67 113.62 112.06 2qbw n SER 187 Ca 0.06 1.05 -0.29 0.00 1.01 0.00 0.00 58.87 60.70 2qbw n SER 187 Cb 0.59 -1.38 0.11 0.00 -1.01 0.00 0.00 64.21 62.52 2qbw n SER 187 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2qbw s PRO 188 N 2.08 1.63 -0.02 1.43 0.04 -1.26 -1.49 135.00 137.41 2qbw s PRO 188 Ca 0.85 -0.06 0.04 0.00 0.04 0.00 0.00 61.00 61.86 2qbw s PRO 188 Cb -0.72 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 2qbw s PRO 188 CO 0.44 -1.78 -0.14 -1.50 0.04 0.00 0.00 177.00 174.06 2qbw s ILE 189 N -3.63 1.17 0.10 0.56 2.07 -0.96 -4.80 121.20 115.71 2qbw s ILE 189 Ca 0.65 -0.61 0.05 0.00 -1.41 0.00 0.00 60.65 59.34 2qbw s ILE 189 Cb -0.09 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 2qbw s ILE 189 CO 0.50 0.34 -0.13 -0.44 -1.91 0.00 0.00 174.94 173.29 2qbw s SER 190 N -0.15 1.78 0.09 4.50 0.01 -1.26 -0.79 113.70 117.88 2qbw s SER 190 Ca 0.02 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.55 2qbw s SER 190 Cb -0.08 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 2qbw s SER 190 CO 0.00 -0.14 -0.06 0.27 0.41 0.00 0.00 173.24 173.71 2qbw s ILE 191 N -1.89 0.66 -0.09 1.44 -4.36 0.10 -4.98 121.20 112.07 2qbw s ILE 191 Ca 0.04 -1.86 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2qbw s ILE 191 Cb -0.06 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 2qbw s ILE 191 CO 0.02 -0.84 -0.03 0.20 0.24 0.00 0.00 174.94 174.53 2qbw s ASN 192 N -2.92 4.95 -0.08 4.36 0.02 -1.26 -0.55 114.94 119.46 2qbw s ASN 192 Ca 0.10 0.04 -0.07 0.00 -1.02 0.00 0.00 52.86 51.92 2qbw s ASN 192 Cb 0.04 -1.39 0.02 0.00 0.02 0.00 0.00 41.25 39.95 2qbw s ASN 192 CO -0.05 0.35 0.21 -0.47 0.02 0.00 0.00 177.10 177.15 2qbw s TYR 193 N -0.70 -0.23 -0.19 2.20 5.04 0.23 -4.98 117.35 118.72 2qbw s TYR 193 Ca 0.11 0.57 -0.05 0.00 -2.44 0.00 0.00 57.07 55.25 2qbw s TYR 193 Cb -0.12 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.23 2qbw s TYR 193 CO 0.02 -0.12 0.01 0.50 -1.34 0.00 0.00 175.55 174.62 2qbw s ARG 194 N 0.28 3.71 0.00 4.97 3.52 -1.26 -0.83 118.95 129.33 2qbw s ARG 194 Ca -0.01 -0.48 0.11 0.00 -0.13 0.00 0.00 55.73 55.22 2qbw s ARG 194 Cb -0.03 -3.08 0.68 0.00 -1.56 0.00 0.00 34.95 30.95 2qbw s ARG 194 CO -0.01 0.11 1.11 0.25 -0.81 0.00 0.00 175.30 175.95