#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbd s GLU 2 N 0.00 0.44 0.05 0.00 2.12 0.89 -4.94 118.70 117.25 1sbd s GLU 2 Ca 0.00 1.15 -0.00 0.00 0.36 0.00 0.00 54.97 56.48 1sbd s GLU 2 Cb 0.00 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 1sbd s GLU 2 CO 0.00 -0.22 -0.04 0.95 -0.54 0.00 0.00 175.26 175.41 1sbd s THR 3 N 2.50 0.27 0.16 -1.70 -4.23 -1.26 -0.64 115.64 110.75 1sbd s THR 3 Ca -0.04 -1.47 -0.08 0.00 -1.18 0.00 0.00 61.69 58.91 1sbd s THR 3 Cb -0.11 -1.05 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 1sbd s THR 3 CO -0.15 -0.77 0.27 0.54 -0.54 0.00 0.00 174.62 173.97 1sbd s VAL 4 N -2.85 0.07 0.00 2.29 0.11 -0.70 -5.02 120.40 114.30 1sbd s VAL 4 Ca -0.01 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1sbd s VAL 4 Cb 0.00 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 1sbd s VAL 4 CO -0.05 -0.30 0.00 -1.54 -3.33 0.00 0.00 175.10 169.88 1sbd n SER 5 N -0.21 0.00 -3.66 3.54 3.41 -1.26 -1.47 113.62 113.96 1sbd n SER 5 Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.41 1sbd n SER 5 Cb 0.63 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1sbd n SER 5 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1sbd s PHE 6 N -1.86 -0.28 -0.12 7.33 -0.12 -0.34 -5.00 117.98 117.58 1sbd s PHE 6 Ca 0.00 0.28 -0.10 0.00 -0.05 0.00 0.00 56.93 57.06 1sbd s PHE 6 Cb 0.00 0.22 0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1sbd s PHE 6 CO 0.00 -0.56 0.31 0.45 -0.05 0.00 0.00 175.22 175.37 1sbd s SER 7 N -1.91 -0.33 -0.03 1.98 0.15 -1.26 -0.92 113.70 111.38 1sbd s SER 7 Ca -0.06 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.23 1sbd s SER 7 Cb -0.01 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1sbd s SER 7 CO -0.01 -0.12 -0.04 0.26 1.20 0.00 0.00 173.24 174.53 1sbd s TRP 8 N 0.43 0.61 -2.05 3.44 0.51 -0.83 -5.02 118.94 116.03 1sbd s TRP 8 Ca -0.02 -0.14 0.24 0.00 -2.12 0.00 0.00 56.10 54.06 1sbd s TRP 8 Cb -0.04 -0.55 0.37 0.00 -0.81 0.00 0.00 33.47 32.44 1sbd s TRP 8 CO -0.02 -0.14 1.33 0.27 -0.51 0.00 0.00 176.95 177.87 1sbd n ASN 9 N 3.85 1.71 -3.50 2.95 6.94 -1.26 -1.62 115.26 124.33 1sbd n ASN 9 Ca -0.24 -1.33 -0.11 0.00 -0.02 0.00 0.00 54.58 52.88 1sbd n ASN 9 Cb 0.52 0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 38.19 1sbd n ASN 9 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1sbd s LYS 10 N -2.41 1.20 -0.15 -3.83 0.00 -1.26 -4.74 119.74 108.55 1sbd s LYS 10 Ca 0.23 -0.56 -0.07 0.00 0.00 0.00 0.00 55.97 55.57 1sbd s LYS 10 Cb 0.19 0.55 -0.04 0.00 0.00 0.00 0.00 37.83 38.52 1sbd s LYS 10 CO 0.51 -0.51 0.10 -0.06 0.00 0.00 0.00 175.35 175.39 1sbd s PHE 11 N -3.76 3.41 -0.21 1.78 0.40 -0.10 -4.96 117.98 114.53 1sbd s PHE 11 Ca 0.02 0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.59 1sbd s PHE 11 Cb 0.00 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 1sbd s PHE 11 CO -0.13 0.46 0.08 0.54 0.70 0.00 0.00 175.22 176.87 1sbd s VAL 12 N -0.36 4.70 0.16 -0.44 0.11 -1.26 -4.05 120.40 119.26 1sbd s VAL 12 Ca 0.10 -0.06 -0.34 0.00 -2.93 0.00 0.00 61.98 58.76 1sbd s VAL 12 Cb -0.12 -3.15 -0.14 0.00 -1.53 0.00 0.00 36.38 31.44 1sbd s VAL 12 CO 0.01 0.40 1.47 -2.65 -3.33 0.00 0.00 175.10 171.01 1sbd n PRO 13 N 4.11 1.88 -1.22 1.54 -0.02 -1.26 -0.96 135.00 139.06 1sbd n PRO 13 Ca -0.16 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 61.92 1sbd n PRO 13 Cb 0.52 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1sbd n PRO 13 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1sbd n LYS 14 N 2.85 -0.90 -1.73 -0.52 -0.00 -1.26 -4.93 118.16 111.67 1sbd n LYS 14 Ca 0.16 0.69 -0.42 0.00 -0.00 0.00 0.00 58.31 58.74 1sbd n LYS 14 Cb 0.27 -4.62 -0.03 0.00 -0.00 0.00 0.00 35.03 30.65 1sbd n LYS 14 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1sbd s GLN 15 N -2.34 4.15 0.00 -1.58 -2.07 -0.14 -4.87 119.66 112.81 1sbd s GLN 15 Ca 0.00 2.56 0.06 0.00 -1.82 0.00 0.00 55.36 56.17 1sbd s GLN 15 Cb 0.00 -3.86 0.29 0.00 -1.09 0.00 0.00 33.01 28.35 1sbd s GLN 15 CO 0.00 -0.88 1.14 -0.35 -1.32 0.00 0.00 175.29 173.88 1sbd n PRO 16 N 6.54 0.04 -0.18 9.60 -0.04 -1.26 -2.81 135.00 146.89 1sbd n PRO 16 Ca 0.18 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.08 1sbd n PRO 16 Cb 0.40 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.61 1sbd n PRO 16 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1sbd n ASN 17 N -1.41 3.03 -4.28 3.54 6.94 -1.26 -4.90 115.26 116.91 1sbd n ASN 17 Ca 0.02 -1.93 -0.20 0.00 -0.02 0.00 0.00 54.58 52.45 1sbd n ASN 17 Cb 0.06 -0.24 -0.11 0.00 -2.36 0.00 0.00 39.78 37.13 1sbd n ASN 17 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1sbd s MET 18 N -1.53 1.13 -0.11 -3.83 -1.94 -1.12 0.01 119.30 111.91 1sbd s MET 18 Ca 0.37 -1.29 -0.00 0.00 -1.71 0.00 0.00 55.69 53.06 1sbd s MET 18 Cb 0.21 -1.12 0.02 0.00 2.01 0.00 0.00 34.83 35.96 1sbd s MET 18 CO 0.30 0.23 -0.08 0.42 -0.01 0.00 0.00 175.02 175.87 1sbd s ILE 19 N -1.98 1.06 -0.20 2.53 1.01 0.03 -4.83 121.20 118.83 1sbd s ILE 19 Ca 0.11 -0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 1sbd s ILE 19 Cb -0.06 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 1sbd s ILE 19 CO 0.05 0.37 0.10 -0.76 0.00 0.00 0.00 174.94 174.70 1sbd s LEU 20 N 1.59 4.01 0.17 2.97 1.43 -1.26 -0.01 118.68 127.58 1sbd s LEU 20 Ca 0.03 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.37 1sbd s LEU 20 Cb -0.13 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1sbd s LEU 20 CO -0.07 0.16 -0.21 -1.10 0.23 0.00 0.00 176.35 175.36 1sbd s GLN 21 N 0.47 1.36 5.35 1.70 -0.21 -0.74 -5.00 119.66 122.59 1sbd s GLN 21 Ca 0.06 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 54.02 1sbd s GLN 21 Cb -0.12 -1.57 0.00 0.00 1.00 0.00 0.00 33.01 32.32 1sbd s GLN 21 CO -0.00 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 1sbd n GLY 22 N 0.41 2.31 0.19 3.09 0.00 -1.26 -1.29 105.19 108.64 1sbd n GLY 22 Ca -0.14 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.55 1sbd n GLY 22 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sbd h ASP 23 N 9.66 0.00 -2.72 1.61 3.32 0.16 -3.47 116.42 124.98 1sbd h ASP 23 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1sbd h ASP 23 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1sbd h ASP 23 CO 0.00 0.00 0.61 0.00 -1.72 0.00 0.00 179.24 178.13 1sbd n ALA 24 N -1.88 1.13 -3.21 3.45 0.00 -0.97 -4.73 120.51 114.30 1sbd n ALA 24 Ca 0.01 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 1sbd n ALA 24 Cb 0.20 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 1sbd n ALA 24 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1sbd s ILE 25 N -0.13 0.00 -0.18 0.00 -4.36 0.14 -4.66 121.20 112.02 1sbd s ILE 25 Ca 0.67 -1.39 -0.03 0.00 -0.26 0.00 0.00 60.65 59.64 1sbd s ILE 25 Cb -0.64 -2.29 -0.02 0.00 1.25 0.00 0.00 42.46 40.76 1sbd s ILE 25 CO 0.50 0.00 -0.07 0.54 0.24 0.00 0.00 174.94 176.16 1sbd s VAL 26 N -3.79 3.43 0.57 8.37 0.11 -1.26 0.23 120.40 128.07 1sbd s VAL 26 Ca 0.23 -0.50 -0.15 0.00 -2.93 0.00 0.00 61.98 58.62 1sbd s VAL 26 Cb -0.01 -2.51 -0.05 0.00 -1.53 0.00 0.00 36.38 32.28 1sbd s VAL 26 CO 0.10 0.47 1.03 0.42 -3.33 0.00 0.00 175.10 173.79 1sbd s THR 27 N 0.83 4.21 0.45 5.04 -4.23 0.10 -4.71 115.64 117.32 1sbd s THR 27 Ca -0.02 0.99 0.20 0.00 -1.18 0.00 0.00 61.69 61.68 1sbd s THR 27 Cb -0.15 -3.57 0.39 0.00 1.34 0.00 0.00 72.50 70.51 1sbd s THR 27 CO 0.01 -0.67 1.89 0.77 -0.54 0.00 0.00 174.62 176.08 1sbd h SER 28 N 0.46 0.31 0.00 3.99 4.64 -1.95 0.15 113.55 121.15 1sbd h SER 28 Ca -0.46 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1sbd h SER 28 Cb 1.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1sbd h SER 28 CO 0.59 0.13 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 1sbd n SER 29 N -4.46 1.06 -1.03 4.97 3.41 -1.26 -4.88 113.62 111.43 1sbd n SER 29 Ca 0.17 -1.79 -0.13 0.00 -0.26 0.00 0.00 58.87 56.85 1sbd n SER 29 Cb 0.69 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1sbd n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sbd n GLY 30 N 0.10 1.31 3.83 5.00 0.00 0.54 -4.93 105.19 111.03 1sbd n GLY 30 Ca 0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1sbd n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sbd s LYS 31 N -3.09 4.15 -0.42 1.61 1.02 -1.25 -0.92 119.74 120.83 1sbd s LYS 31 Ca 0.00 0.77 -0.18 0.00 0.02 0.00 0.00 55.97 56.59 1sbd s LYS 31 Cb 0.00 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1sbd s LYS 31 CO 0.00 0.33 0.46 -1.17 -0.92 0.00 0.00 175.35 174.05 1sbd s LEU 32 N -2.29 4.84 -0.45 3.17 2.96 -0.53 -0.72 118.68 125.66 1sbd s LEU 32 Ca 0.46 -0.65 -0.10 0.00 -0.22 0.00 0.00 54.13 53.62 1sbd s LEU 32 Cb -0.15 -2.42 0.10 0.00 0.50 0.00 0.00 46.19 44.22 1sbd s LEU 32 CO 0.20 -0.60 0.31 -1.58 -1.32 0.00 0.00 176.35 173.36 1sbd s GLN 33 N 2.20 2.59 0.20 1.98 0.74 0.14 -0.23 119.66 127.28 1sbd s GLN 33 Ca 0.13 -1.59 0.05 0.00 0.05 0.00 0.00 55.36 54.00 1sbd s GLN 33 Cb -0.17 -3.88 0.12 0.00 1.10 0.00 0.00 33.01 30.18 1sbd s GLN 33 CO 0.14 -1.07 1.47 -0.07 -0.55 0.00 0.00 175.29 175.21 1sbd h LEU 34 N 8.46 0.18 -9.28 3.68 3.38 -1.74 0.42 115.31 120.41 1sbd h LEU 34 Ca -0.23 -0.13 -0.57 0.00 0.09 0.00 0.00 57.88 57.05 1sbd h LEU 34 Cb 1.08 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 1sbd h LEU 34 CO 0.82 0.87 -0.69 0.20 0.09 0.00 0.00 178.44 179.73 1sbd s ASN 35 N -6.88 3.32 0.14 -0.43 -0.87 -1.26 -1.53 114.94 107.43 1sbd s ASN 35 Ca -0.02 -1.17 -0.16 0.00 -1.57 0.00 0.00 52.86 49.93 1sbd s ASN 35 Cb 0.11 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.25 41.00 1sbd s ASN 35 CO 0.80 -0.23 0.57 -1.59 -2.57 0.00 0.00 177.10 174.08 1sbd s LYS 36 N -3.65 4.05 0.11 -0.60 0.00 -1.26 -4.91 119.74 113.48 1sbd s LYS 36 Ca 0.31 0.58 0.01 0.00 0.00 0.00 0.00 55.97 56.87 1sbd s LYS 36 Cb 0.02 -2.98 -0.04 0.00 0.00 0.00 0.00 37.83 34.83 1sbd s LYS 36 CO 0.14 0.50 -0.03 0.14 0.00 0.00 0.00 175.35 176.10 1sbd s VAL 37 N -1.41 0.56 1.11 1.79 -7.23 -1.26 -1.33 120.40 112.63 1sbd s VAL 37 Ca 0.37 -1.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.49 1sbd s VAL 37 Cb -0.16 -1.79 0.25 0.00 0.56 0.00 0.00 36.38 35.24 1sbd s VAL 37 CO 0.19 -0.76 1.05 1.51 -0.31 0.00 0.00 175.10 176.78 1sbd s ASP 38 N -3.05 1.52 0.15 4.85 3.84 0.58 -4.76 116.67 119.78 1sbd s ASP 38 Ca 0.15 1.38 -0.15 0.00 -0.00 0.00 0.00 52.55 53.92 1sbd s ASP 38 Cb 0.06 -2.12 0.02 0.00 -1.38 0.00 0.00 42.92 39.49 1sbd s ASP 38 CO -0.03 -3.85 1.74 -0.33 -0.00 0.00 0.00 175.17 172.70 1sbd h GLU 39 N -2.38 0.62 0.00 2.11 3.07 -2.02 0.21 114.58 116.19 1sbd h GLU 39 Ca -0.59 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.19 1sbd h GLU 39 Cb 1.33 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1sbd h GLU 39 CO 0.53 0.51 0.12 -2.95 -1.40 0.00 0.00 179.01 175.82 1sbd h ASN 40 N 0.57 0.00 0.00 1.42 -0.00 -2.06 -3.44 115.58 112.07 1sbd h ASN 40 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 1sbd h ASN 40 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.40 1sbd h ASN 40 CO -0.02 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.02 1sbd n GLY 41 N -1.23 0.66 3.77 9.14 0.00 0.75 -5.08 105.19 113.19 1sbd n GLY 41 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1sbd n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbd s THR 42 N -2.07 3.37 0.43 2.61 2.01 -1.26 -4.39 115.64 116.34 1sbd s THR 42 Ca 0.00 1.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.94 1sbd s THR 42 Cb 0.00 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1sbd s THR 42 CO 0.00 0.12 1.02 -2.16 -0.69 0.00 0.00 174.62 172.91 1sbd s PRO 43 N -2.18 4.08 -0.21 4.92 0.05 -1.26 0.21 135.00 140.61 1sbd s PRO 43 Ca 0.55 1.36 -0.13 0.00 0.05 0.00 0.00 61.00 62.83 1sbd s PRO 43 Cb -0.29 -2.32 -0.05 0.00 0.05 0.00 0.00 34.50 31.89 1sbd s PRO 43 CO 0.36 -0.19 0.26 -1.59 0.05 0.00 0.00 177.00 175.89 1sbd s LYS 44 N -2.87 4.15 1.24 4.56 0.00 -0.44 -4.53 119.74 121.85 1sbd s LYS 44 Ca 0.62 -0.04 -0.15 0.00 0.00 0.00 0.00 55.97 56.39 1sbd s LYS 44 Cb -0.17 -3.51 0.30 0.00 0.00 0.00 0.00 37.83 34.45 1sbd s LYS 44 CO 0.21 0.08 0.89 -2.30 0.00 0.00 0.00 175.35 174.23 1sbd n PRO 45 N 4.16 -2.96 -3.14 1.78 -0.02 -1.26 -3.37 135.00 130.19 1sbd n PRO 45 Ca -0.12 -0.85 -0.17 0.00 -2.02 0.00 0.00 63.50 60.35 1sbd n PRO 45 Cb 0.52 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1sbd n PRO 45 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1sbd n SER 46 N -4.83 -2.25 -4.92 2.55 7.64 0.22 -4.93 113.62 107.10 1sbd n SER 46 Ca 0.04 -0.13 -0.28 0.00 1.01 0.00 0.00 58.87 59.51 1sbd n SER 46 Cb 0.56 -1.96 -0.03 0.00 -1.01 0.00 0.00 64.21 61.76 1sbd n SER 46 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1sbd s SER 47 N -2.45 6.40 -0.24 6.43 0.15 -1.22 -4.96 113.70 117.81 1sbd s SER 47 Ca 0.28 0.49 -0.11 0.00 0.70 0.00 0.00 55.95 57.30 1sbd s SER 47 Cb -0.16 -2.05 0.09 0.00 -1.71 0.00 0.00 66.02 62.20 1sbd s SER 47 CO 0.34 -0.08 0.56 -0.22 1.20 0.00 0.00 173.24 175.04 1sbd s LEU 48 N -3.38 -0.72 -0.00 3.45 2.96 -1.26 -2.49 118.68 117.24 1sbd s LEU 48 Ca 0.40 1.27 0.03 0.00 -0.22 0.00 0.00 54.13 55.61 1sbd s LEU 48 Cb -0.11 1.91 -0.01 0.00 0.50 0.00 0.00 46.19 48.48 1sbd s LEU 48 CO 0.29 -0.22 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.18 1sbd s GLY 49 N 2.04 0.46 0.15 7.98 0.00 -0.58 0.18 107.32 117.54 1sbd s GLY 49 Ca -0.07 -0.41 0.06 0.00 0.00 0.00 0.00 44.72 44.29 1sbd s GLY 49 CO -0.17 -0.35 -0.13 0.50 0.00 0.00 0.00 173.10 172.95 1sbd s ARG 50 N -0.27 1.12 -0.15 2.90 0.52 -0.41 -1.35 118.95 121.31 1sbd s ARG 50 Ca 0.03 -1.40 -0.09 0.00 -0.52 0.00 0.00 55.73 53.75 1sbd s ARG 50 Cb -0.04 -0.88 0.05 0.00 0.52 0.00 0.00 34.95 34.61 1sbd s ARG 50 CO -0.00 0.15 0.37 0.00 0.02 0.00 0.00 175.30 175.83 1sbd s ALA 51 N -2.73 -0.92 0.25 2.13 0.00 0.57 -1.79 121.76 119.27 1sbd s ALA 51 Ca 0.15 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.51 1sbd s ALA 51 Cb -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1sbd s ALA 51 CO 0.03 -0.24 -0.09 -0.51 0.00 0.00 0.00 175.76 174.96 1sbd s LEU 52 N 1.18 2.49 -0.10 0.00 1.43 0.98 0.11 118.68 124.76 1sbd s LEU 52 Ca -0.08 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.78 1sbd s LEU 52 Cb -0.08 -0.62 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 1sbd s LEU 52 CO -0.10 -0.29 0.26 -0.47 0.23 0.00 0.00 176.35 175.98 1sbd s TYR 53 N -3.03 3.59 0.03 0.29 5.04 -0.62 -0.79 117.35 121.86 1sbd s TYR 53 Ca 0.27 0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 55.41 1sbd s TYR 53 Cb 0.02 -2.16 -0.08 0.00 0.35 0.00 0.00 41.96 40.09 1sbd s TYR 53 CO 0.10 0.55 1.23 0.66 -1.34 0.00 0.00 175.55 176.75 1sbd h SER 54 N 5.47 -0.49 -2.23 4.32 4.64 -0.74 -3.42 113.55 121.10 1sbd h SER 54 Ca -0.49 0.02 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 1sbd h SER 54 Cb 1.20 0.13 0.06 0.00 -0.31 0.00 0.00 62.40 63.49 1sbd h SER 54 CO 0.65 -0.33 0.68 0.35 -0.87 0.00 0.00 176.83 177.30 1sbd n THR 55 N -3.52 0.23 -2.30 2.95 -2.24 -1.26 -4.96 114.28 103.18 1sbd n THR 55 Ca -0.07 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 1sbd n THR 55 Cb 0.22 -1.36 -0.02 0.00 -2.10 0.00 0.00 70.33 67.07 1sbd n THR 55 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sbd s PRO 56 N 0.51 3.63 -0.12 -0.78 0.04 -1.26 -4.84 135.00 132.17 1sbd s PRO 56 Ca 0.77 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 1sbd s PRO 56 Cb -0.73 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1sbd s PRO 56 CO 0.42 -0.56 -0.02 0.42 0.04 0.00 0.00 177.00 177.30 1sbd s ILE 57 N -2.32 4.06 -0.98 0.56 -1.09 0.17 -4.89 121.20 116.71 1sbd s ILE 57 Ca 0.64 -0.32 -0.19 0.00 -2.23 0.00 0.00 60.65 58.55 1sbd s ILE 57 Cb -0.15 -2.74 0.13 0.00 -1.58 0.00 0.00 42.46 38.12 1sbd s ILE 57 CO 0.29 0.54 1.21 -2.28 -1.23 0.00 0.00 174.94 173.48 1sbd s HIS 58 N -0.24 3.10 0.16 3.97 2.46 -1.26 -0.12 115.29 123.36 1sbd s HIS 58 Ca 0.05 -1.43 0.04 0.00 0.47 0.00 0.00 55.06 54.19 1sbd s HIS 58 Cb -0.13 -4.34 -0.03 0.00 -0.13 0.00 0.00 32.58 27.95 1sbd s HIS 58 CO 0.02 -1.53 1.37 0.82 -2.47 0.00 0.00 174.74 172.95 1sbd h ILE 59 N 5.79 1.55 -3.57 0.89 5.03 -0.94 -3.44 117.51 122.81 1sbd h ILE 59 Ca 0.19 -2.81 -0.06 0.00 -0.12 0.00 0.00 64.86 62.05 1sbd h ILE 59 Cb 1.00 2.57 -0.12 0.00 -3.03 0.00 0.00 36.82 37.24 1sbd h ILE 59 CO 1.17 0.81 -0.15 -1.66 -0.68 0.00 0.00 178.15 177.64 1sbd s TRP 60 N -3.08 0.07 -0.11 1.37 1.48 -1.05 -0.54 118.94 117.08 1sbd s TRP 60 Ca -0.02 -0.43 -0.00 0.00 -1.06 0.00 0.00 56.10 54.59 1sbd s TRP 60 Cb 0.10 0.17 0.02 0.00 -1.16 0.00 0.00 33.47 32.60 1sbd s TRP 60 CO 0.82 -0.77 -0.07 0.34 -4.06 0.00 0.00 176.95 173.21 1sbd s ASP 61 N -2.89 2.09 0.07 -2.66 2.15 0.01 -4.57 116.67 110.87 1sbd s ASP 61 Ca 0.10 -0.28 -0.30 0.00 0.43 0.00 0.00 52.55 52.50 1sbd s ASP 61 Cb 0.02 -0.81 -0.14 0.00 -0.30 0.00 0.00 42.92 41.68 1sbd s ASP 61 CO -0.04 -0.11 1.47 0.07 -0.17 0.00 0.00 175.17 176.38 1sbd h LYS 62 N 8.09 -0.81 0.00 4.34 2.10 -1.95 4.29 116.57 132.63 1sbd h LYS 62 Ca -0.29 0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1sbd h LYS 62 Cb 1.13 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1sbd h LYS 62 CO 0.40 -0.54 0.00 -0.85 -2.00 0.00 0.00 179.45 176.46 1sbd n GLU 63 N -5.00 0.00 -0.17 0.07 0.00 -1.26 -3.01 120.64 111.27 1sbd n GLU 63 Ca -0.10 0.68 -0.03 0.00 0.00 0.00 0.00 57.16 57.71 1sbd n GLU 63 Cb 0.39 -1.41 0.07 0.00 0.00 0.00 0.00 31.44 30.49 1sbd n GLU 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sbd h THR 64 N 0.00 0.86 -0.00 3.84 1.03 -1.92 -3.46 112.91 113.26 1sbd h THR 64 Ca 0.00 -0.15 -0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1sbd h THR 64 Cb 0.00 0.40 -0.00 0.00 -1.07 0.00 0.00 68.15 67.48 1sbd h THR 64 CO 0.00 0.08 -0.00 0.61 -0.01 0.00 0.00 175.52 176.20 1sbd n GLY 65 N -1.27 0.39 3.82 2.99 0.00 1.41 -5.03 105.19 107.50 1sbd n GLY 65 Ca 0.06 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1sbd n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sbd s SER 66 N -3.00 6.68 -0.07 1.61 0.15 -1.12 -4.82 113.70 113.13 1sbd s SER 66 Ca 0.00 1.75 0.04 0.00 0.70 0.00 0.00 55.95 58.44 1sbd s SER 66 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1sbd s SER 66 CO 0.00 -0.54 -0.20 -0.69 1.20 0.00 0.00 173.24 173.01 1sbd s VAL 67 N -2.18 1.69 0.79 4.45 1.01 -1.26 -0.81 120.40 124.09 1sbd s VAL 67 Ca 0.63 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 1sbd s VAL 67 Cb -0.12 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 34.86 1sbd s VAL 67 CO 0.18 0.48 1.10 0.00 0.00 0.00 0.00 175.10 176.86 1sbd s ALA 68 N 0.24 2.18 -0.10 5.51 0.00 0.30 -4.63 121.76 125.25 1sbd s ALA 68 Ca -0.11 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1sbd s ALA 68 Cb -0.15 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1sbd s ALA 68 CO 0.05 -1.87 -0.16 -1.12 0.00 0.00 0.00 175.76 172.67 1sbd s SER 69 N -3.33 3.81 0.33 0.00 0.01 0.18 -4.31 113.70 110.40 1sbd s SER 69 Ca 0.62 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.57 1sbd s SER 69 Cb -0.18 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.71 1sbd s SER 69 CO 0.56 0.22 0.11 0.72 0.41 0.00 0.00 173.24 175.26 1sbd s PHE 70 N 0.01 1.75 -0.04 2.43 -0.12 -1.00 -1.61 117.98 119.40 1sbd s PHE 70 Ca -0.05 -1.19 -0.15 0.00 -0.05 0.00 0.00 56.93 55.49 1sbd s PHE 70 Cb -0.14 -1.08 0.03 0.00 -0.63 0.00 0.00 43.02 41.19 1sbd s PHE 70 CO 0.04 -0.27 0.34 0.00 -0.05 0.00 0.00 175.22 175.29 1sbd s ALA 71 N -3.42 -0.86 0.06 1.99 0.00 -0.50 -0.39 121.76 118.65 1sbd s ALA 71 Ca 0.33 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 1sbd s ALA 71 Cb 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1sbd s ALA 71 CO 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 175.76 175.70 1sbd s ALA 72 N -0.99 0.29 0.15 0.00 0.00 0.07 -1.30 121.76 119.98 1sbd s ALA 72 Ca -0.10 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 1sbd s ALA 72 Cb -0.04 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1sbd s ALA 72 CO 0.04 -0.39 0.44 -1.54 0.00 0.00 0.00 175.76 174.30 1sbd s SER 73 N -2.81 -0.24 -0.23 0.00 1.04 -0.10 -0.42 113.70 110.94 1sbd s SER 73 Ca 0.05 -0.38 -0.28 0.00 0.48 0.00 0.00 55.95 55.82 1sbd s SER 73 Cb 0.06 0.51 0.14 0.00 0.10 0.00 0.00 66.02 66.83 1sbd s SER 73 CO -0.10 -0.92 1.11 0.72 0.98 0.00 0.00 173.24 175.04 1sbd s PHE 74 N -3.83 -0.32 -0.04 5.02 -0.71 -1.19 0.57 117.98 117.48 1sbd s PHE 74 Ca 0.06 0.66 -0.22 0.00 -1.04 0.00 0.00 56.93 56.38 1sbd s PHE 74 Cb 0.01 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1sbd s PHE 74 CO -0.09 -0.23 0.66 -0.80 -1.34 0.00 0.00 175.22 173.42 1sbd s ASN 75 N -0.54 6.99 0.14 1.98 -0.87 -1.23 -1.72 114.94 119.69 1sbd s ASN 75 Ca 0.02 1.19 -0.08 0.00 -1.57 0.00 0.00 52.86 52.41 1sbd s ASN 75 Cb -0.02 -2.40 -0.01 0.00 -0.02 0.00 0.00 41.25 38.80 1sbd s ASN 75 CO -0.04 -0.02 0.24 0.72 -2.57 0.00 0.00 177.10 175.43 1sbd s PHE 76 N 0.36 0.33 0.27 2.20 -0.12 -0.61 -0.13 117.98 120.28 1sbd s PHE 76 Ca 0.35 -0.72 0.03 0.00 -0.05 0.00 0.00 56.93 56.54 1sbd s PHE 76 Cb -0.18 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1sbd s PHE 76 CO 0.18 -0.65 0.18 0.95 -0.05 0.00 0.00 175.22 175.84 1sbd s THR 77 N -3.93 0.11 0.02 -4.49 -4.23 -0.75 -1.44 115.64 100.93 1sbd s THR 77 Ca 0.13 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1sbd s THR 77 Cb 0.04 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 1sbd s THR 77 CO -0.04 0.00 0.10 0.72 -0.54 0.00 0.00 174.62 174.86 1sbd s PHE 78 N -3.76 0.14 -0.15 3.99 -0.12 -1.26 -1.46 117.98 115.36 1sbd s PHE 78 Ca 0.38 -0.34 -0.00 0.00 -0.05 0.00 0.00 56.93 56.92 1sbd s PHE 78 Cb 0.05 -0.10 0.03 0.00 -0.63 0.00 0.00 43.02 42.37 1sbd s PHE 78 CO 0.19 -0.31 -0.07 -0.47 -0.05 0.00 0.00 175.22 174.50 1sbd s TYR 79 N -1.95 1.68 -0.27 3.49 5.04 -1.04 -0.32 117.35 123.98 1sbd s TYR 79 Ca -0.11 -1.00 0.03 0.00 -2.44 0.00 0.00 57.07 53.56 1sbd s TYR 79 Cb -0.05 -1.32 0.06 0.00 0.35 0.00 0.00 41.96 41.01 1sbd s TYR 79 CO -0.01 -0.59 -0.08 0.00 -1.34 0.00 0.00 175.55 173.53 1sbd s ALA 80 N 1.64 2.63 0.25 3.97 0.00 -1.26 -1.05 121.76 127.94 1sbd s ALA 80 Ca 0.02 -1.87 -0.03 0.00 0.00 0.00 0.00 51.96 50.09 1sbd s ALA 80 Cb -0.14 -1.67 0.50 0.00 0.00 0.00 0.00 23.12 21.81 1sbd s ALA 80 CO -0.08 -1.27 1.74 -1.35 0.00 0.00 0.00 175.76 174.80 1sbd h PRO 81 N 7.77 0.49 -3.96 0.00 0.11 -1.94 -3.38 132.00 131.09 1sbd h PRO 81 Ca -0.17 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.37 1sbd h PRO 81 Cb 1.04 -0.11 -0.38 0.00 0.11 0.00 0.00 31.00 31.66 1sbd h PRO 81 CO 0.47 0.32 -0.78 0.34 -0.21 0.00 0.00 178.00 178.15 1sbd s ASP 82 N -5.36 2.78 0.00 -2.05 -1.08 -1.26 -5.02 116.67 104.68 1sbd s ASP 82 Ca -0.12 -0.68 0.28 0.00 -0.52 0.00 0.00 52.55 51.51 1sbd s ASP 82 Cb 0.21 -0.79 1.42 0.00 -1.46 0.00 0.00 42.92 42.29 1sbd s ASP 82 CO 0.77 -0.22 1.96 0.35 0.52 0.00 0.00 175.17 178.55 1sbd n THR 83 N 4.94 0.09 0.14 1.71 -2.24 -1.26 -1.95 114.28 115.70 1sbd n THR 83 Ca -0.11 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1sbd n THR 83 Cb 0.48 -0.56 0.05 0.00 -2.10 0.00 0.00 70.33 68.19 1sbd n THR 83 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sbd h LYS 84 N 0.00 0.00 -3.16 -0.78 6.56 -1.96 -3.40 116.57 113.82 1sbd h LYS 84 Ca 0.00 0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.96 1sbd h LYS 84 Cb 0.26 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 31.50 1sbd h LYS 84 CO 0.00 0.11 -0.61 -0.98 -2.06 0.00 0.00 179.45 175.91 1sbd s ARG 85 N -3.20 2.20 0.16 3.15 1.70 -0.82 -5.09 118.95 117.06 1sbd s ARG 85 Ca 0.02 -3.01 0.06 0.00 -0.47 0.00 0.00 55.73 52.33 1sbd s ARG 85 Cb 0.08 -3.28 -0.04 0.00 -0.57 0.00 0.00 34.95 31.13 1sbd s ARG 85 CO 0.75 -1.22 0.09 -0.51 -1.08 0.00 0.00 175.30 173.32 1sbd s LEU 86 N -0.94 3.65 0.00 -1.89 1.43 -1.26 -4.00 118.68 115.67 1sbd s LEU 86 Ca 0.22 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1sbd s LEU 86 Cb -0.12 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1sbd s LEU 86 CO -0.10 0.08 0.00 0.00 0.23 0.00 0.00 176.35 176.56 1sbd n ALA 87 N -0.23 0.00 -0.01 4.21 0.00 -1.26 -4.53 120.51 118.69 1sbd n ALA 87 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1sbd n ALA 87 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1sbd n ALA 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sbd n ASP 88 N 0.00 4.01 0.00 0.00 8.00 -0.23 -1.74 116.55 126.58 1sbd n ASP 88 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1sbd n ASP 88 Cb 0.00 1.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1sbd n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sbd n GLY 89 N 2.40 0.27 3.13 0.44 0.00 -1.07 -2.88 105.19 107.48 1sbd n GLY 89 Ca -0.03 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 1sbd n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sbd s LEU 90 N 0.00 1.35 0.02 0.99 2.96 -0.66 -1.96 118.68 121.39 1sbd s LEU 90 Ca 0.00 -0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.78 1sbd s LEU 90 Cb 0.00 0.79 0.01 0.00 0.50 0.00 0.00 46.19 47.49 1sbd s LEU 90 CO 0.00 -0.31 0.24 0.00 -1.32 0.00 0.00 176.35 174.96 1sbd s ALA 91 N -1.03 -0.54 -0.06 5.97 0.00 0.80 -0.38 121.76 126.52 1sbd s ALA 91 Ca -0.11 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1sbd s ALA 91 Cb -0.06 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1sbd s ALA 91 CO 0.02 -0.32 -0.18 0.12 0.00 0.00 0.00 175.76 175.40 1sbd s PHE 92 N -2.05 2.61 0.39 0.00 5.36 -0.94 0.19 117.98 123.53 1sbd s PHE 92 Ca -0.09 -0.38 -0.15 0.00 -0.96 0.00 0.00 56.93 55.35 1sbd s PHE 92 Cb -0.03 -1.64 0.05 0.00 -0.34 0.00 0.00 43.02 41.07 1sbd s PHE 92 CO -0.01 0.02 0.77 -0.59 -1.46 0.00 0.00 175.22 173.95 1sbd s PHE 93 N -0.44 0.18 -0.04 10.12 -0.71 0.73 -1.91 117.98 125.91 1sbd s PHE 93 Ca 0.05 -0.84 0.02 0.00 -1.04 0.00 0.00 56.93 55.12 1sbd s PHE 93 Cb -0.12 0.79 0.01 0.00 -1.21 0.00 0.00 43.02 42.49 1sbd s PHE 93 CO 0.02 -1.56 -0.09 -0.51 -1.34 0.00 0.00 175.22 171.74 1sbd s LEU 94 N -3.08 1.67 0.28 -1.99 1.02 -0.19 -1.64 118.68 114.74 1sbd s LEU 94 Ca 0.16 -0.20 -0.04 0.00 0.02 0.00 0.00 54.13 54.08 1sbd s LEU 94 Cb -0.05 -0.58 -0.01 0.00 0.02 0.00 0.00 46.19 45.57 1sbd s LEU 94 CO 0.12 0.04 0.37 0.00 0.02 0.00 0.00 176.35 176.90 1sbd s ALA 95 N 0.43 0.69 0.81 4.21 0.00 -0.26 -1.20 121.76 126.43 1sbd s ALA 95 Ca -0.07 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.35 1sbd s ALA 95 Cb -0.11 1.22 0.08 0.00 0.00 0.00 0.00 23.12 24.31 1sbd s ALA 95 CO 0.01 -0.75 1.10 -2.14 0.00 0.00 0.00 175.76 173.99 1sbd s PRO 96 N -3.63 1.93 0.20 0.00 0.02 -1.26 -0.38 135.00 131.87 1sbd s PRO 96 Ca 0.31 1.24 -0.10 0.00 0.02 0.00 0.00 61.00 62.47 1sbd s PRO 96 Cb 0.02 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.81 1sbd s PRO 96 CO 0.16 -1.90 1.79 0.82 -0.33 0.00 0.00 177.00 177.54 1sbd h ILE 97 N -1.32 1.23 0.00 2.83 2.04 -1.89 -2.28 117.51 118.13 1sbd h ILE 97 Ca -0.44 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1sbd h ILE 97 Cb 1.24 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1sbd h ILE 97 CO 0.49 0.27 0.00 0.47 0.00 0.00 0.00 178.15 179.39 1sbd n ASP 98 N -4.43 0.05 -4.59 1.72 9.92 -1.26 -4.90 116.55 113.06 1sbd n ASP 98 Ca 0.06 0.52 -0.48 0.00 -0.53 0.00 0.00 54.79 54.36 1sbd n ASP 98 Cb 0.13 -0.53 -0.04 0.00 -0.64 0.00 0.00 41.12 40.04 1sbd n ASP 98 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1sbd n THR 99 N -1.57 0.96 -4.30 -3.53 5.66 -0.86 -5.01 114.28 105.63 1sbd n THR 99 Ca 0.00 -0.24 -0.16 0.00 -3.05 0.00 0.00 64.05 60.60 1sbd n THR 99 Cb 0.02 -0.96 -0.10 0.00 -1.55 0.00 0.00 70.33 67.74 1sbd n THR 99 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1sbd s LYS 100 N -0.44 1.25 0.47 1.09 0.00 -1.26 -5.06 119.74 115.78 1sbd s LYS 100 Ca 0.72 -1.60 -0.24 0.00 0.00 0.00 0.00 55.97 54.85 1sbd s LYS 100 Cb -0.81 -0.64 -0.07 0.00 0.00 0.00 0.00 37.83 36.30 1sbd s LYS 100 CO 0.52 -0.03 1.32 -2.14 0.00 0.00 0.00 175.35 175.03 1sbd s PRO 101 N -3.81 3.63 0.00 1.78 0.02 -1.26 -5.02 135.00 130.34 1sbd s PRO 101 Ca 0.24 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.43 1sbd s PRO 101 Cb 0.04 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 32.03 1sbd s PRO 101 CO 0.06 -0.77 0.00 1.04 -0.33 0.00 0.00 177.00 177.00 1sbd n GLN 102 N -0.38 3.67 -2.37 5.54 1.13 -0.60 -5.04 117.38 119.33 1sbd n GLN 102 Ca 0.07 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.77 1sbd n GLN 102 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.78 1sbd n GLN 102 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1sbd s THR 103 N 3.33 3.39 0.00 5.09 2.01 -0.79 -4.67 115.64 123.99 1sbd s THR 103 Ca 0.00 0.93 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1sbd s THR 103 Cb 0.00 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1sbd s THR 103 CO 0.00 -0.12 0.00 0.00 -0.69 0.00 0.00 174.62 173.81 1sbd n HIS 104 N -0.86 -0.72 -0.19 4.92 1.44 -1.26 -0.00 115.22 118.55 1sbd n HIS 104 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 1sbd n HIS 104 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 1sbd n HIS 104 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sbd n ALA 105 N -3.00 0.00 0.10 1.59 0.00 -1.26 -0.64 120.51 117.30 1sbd n ALA 105 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1sbd n ALA 105 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 1sbd n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sbd h GLY 106 N 0.00 0.00 -1.34 0.00 0.00 -1.90 1.25 103.07 101.08 1sbd h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sbd h GLY 106 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1sbd n TYR 107 N -2.96 0.35 -1.57 5.60 4.02 0.19 -4.93 117.16 117.86 1sbd n TYR 107 Ca 0.09 -0.17 -0.10 0.00 -0.01 0.00 0.00 57.90 57.71 1sbd n TYR 107 Cb 1.08 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.37 1sbd n TYR 107 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1sbd n LEU 108 N 0.70 -0.77 0.00 7.72 4.77 0.43 -0.38 117.00 129.47 1sbd n LEU 108 Ca 0.17 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1sbd n LEU 108 Cb 0.41 -1.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 1sbd n LEU 108 CO 0.13 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1sbd n GLY 109 N -0.32 0.46 0.03 -0.72 0.00 1.00 -4.29 105.19 101.35 1sbd n GLY 109 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sbd n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sbd n LEU 110 N 0.00 0.00 -4.27 0.99 4.77 0.49 -1.56 117.00 117.42 1sbd n LEU 110 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1sbd n LEU 110 Cb 0.10 0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1sbd n LEU 110 CO 0.00 0.14 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.35 1sbd s PHE 111 N -2.55 1.63 0.17 -1.77 0.08 -1.00 -4.80 117.98 109.73 1sbd s PHE 111 Ca -0.05 -0.46 0.04 0.00 0.12 0.00 0.00 56.93 56.58 1sbd s PHE 111 Cb 0.05 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 1sbd s PHE 111 CO 0.48 0.20 0.23 0.54 -0.10 0.00 0.00 175.22 176.57 1sbd s ASN 112 N -2.19 5.96 0.18 1.36 2.20 -1.26 -1.89 114.94 119.30 1sbd s ASN 112 Ca 0.08 0.02 -0.26 0.00 -0.94 0.00 0.00 52.86 51.75 1sbd s ASN 112 Cb -0.08 -1.69 0.03 0.00 -2.00 0.00 0.00 41.25 37.52 1sbd s ASN 112 CO 0.04 0.04 1.55 -0.33 -2.94 0.00 0.00 177.10 175.46 1sbd h GLU 113 N 2.12 -0.06 0.00 3.55 4.39 -2.00 -3.41 114.58 119.16 1sbd h GLU 113 Ca -0.48 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 58.87 1sbd h GLU 113 Cb 1.20 0.01 0.14 0.00 -0.10 0.00 0.00 28.75 30.00 1sbd h GLU 113 CO 0.65 -0.04 0.33 0.27 -1.16 0.00 0.00 179.01 179.06 1sbd n ASN 114 N -5.35 0.12 -4.79 1.42 0.23 -1.26 -5.14 115.26 100.50 1sbd n ASN 114 Ca 0.04 -1.41 -0.39 0.00 -0.53 0.00 0.00 54.58 52.29 1sbd n ASN 114 Cb 0.32 -0.80 -0.06 0.00 -2.08 0.00 0.00 39.78 37.16 1sbd n ASN 114 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1sbd s GLU 115 N -5.29 4.40 0.00 -3.83 2.12 -1.26 -5.11 118.70 109.73 1sbd s GLU 115 Ca 0.60 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.89 1sbd s GLU 115 Cb -0.02 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1sbd s GLU 115 CO 0.42 0.60 0.00 -0.40 -0.54 0.00 0.00 175.26 175.34 1sbd n ASP 118 N 1.68 0.00 -4.51 -1.70 5.68 -1.26 -5.00 116.55 111.44 1sbd n ASP 118 Ca -0.08 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.79 1sbd n ASP 118 Cb 0.50 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1sbd n ASP 118 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1sbd s GLN 119 N 0.00 3.27 -0.05 0.11 0.74 -1.26 -4.98 119.66 117.48 1sbd s GLN 119 Ca 0.00 -0.36 0.06 0.00 0.05 0.00 0.00 55.36 55.11 1sbd s GLN 119 Cb 0.00 -4.12 -0.01 0.00 1.10 0.00 0.00 33.01 29.98 1sbd s GLN 119 CO 0.00 -1.71 -0.25 0.08 -0.55 0.00 0.00 175.29 172.87 1sbd s VAL 120 N 4.38 2.01 -0.15 1.34 1.01 -1.26 -4.09 120.40 123.64 1sbd s VAL 120 Ca 0.30 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1sbd s VAL 120 Cb -0.12 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1sbd s VAL 120 CO 0.17 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.93 1sbd s VAL 121 N -0.18 2.12 0.02 2.92 1.01 -0.34 -0.68 120.40 125.28 1sbd s VAL 121 Ca -0.03 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1sbd s VAL 121 Cb -0.13 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1sbd s VAL 121 CO 0.03 0.54 0.09 0.00 0.00 0.00 0.00 175.10 175.76 1sbd s ALA 122 N 0.97 -0.10 -0.25 5.51 0.00 0.12 -1.02 121.76 126.99 1sbd s ALA 122 Ca -0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 1sbd s ALA 122 Cb -0.15 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1sbd s ALA 122 CO -0.05 -0.26 -0.02 0.08 0.00 0.00 0.00 175.76 175.51 1sbd s VAL 123 N -2.08 3.35 -0.02 0.00 1.01 -0.81 0.32 120.40 122.16 1sbd s VAL 123 Ca -0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1sbd s VAL 123 Cb -0.04 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1sbd s VAL 123 CO -0.02 0.25 0.06 -1.83 0.00 0.00 0.00 175.10 173.56 1sbd s GLU 124 N 1.43 3.03 -0.68 2.72 -1.05 0.13 -2.22 118.70 122.06 1sbd s GLU 124 Ca 0.03 -0.48 -0.03 0.00 -0.15 0.00 0.00 54.97 54.34 1sbd s GLU 124 Cb -0.16 -2.84 0.17 0.00 -0.44 0.00 0.00 34.13 30.87 1sbd s GLU 124 CO -0.02 0.66 0.51 -0.06 0.95 0.00 0.00 175.26 177.30 1sbd s PHE 125 N -1.13 3.48 -0.20 4.83 0.40 0.49 -1.20 117.98 124.66 1sbd s PHE 125 Ca 0.21 -2.73 -0.17 0.00 -0.60 0.00 0.00 56.93 53.63 1sbd s PHE 125 Cb -0.12 -3.23 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 1sbd s PHE 125 CO 0.11 -0.83 0.45 0.34 0.70 0.00 0.00 175.22 175.99 1sbd s ASP 126 N 0.60 6.48 -0.00 1.36 -1.08 0.01 -1.65 116.67 122.38 1sbd s ASP 126 Ca 0.19 0.57 0.21 0.00 -0.52 0.00 0.00 52.55 53.00 1sbd s ASP 126 Cb -0.18 -2.26 -0.17 0.00 -1.46 0.00 0.00 42.92 38.85 1sbd s ASP 126 CO -0.05 -0.13 0.93 0.35 0.52 0.00 0.00 175.17 176.79 1sbd n THR 127 N 4.47 0.00 -4.22 1.71 -2.24 -1.14 -1.72 114.28 111.14 1sbd n THR 127 Ca -0.07 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1sbd n THR 127 Cb 0.51 0.90 -0.17 0.00 -2.10 0.00 0.00 70.33 69.47 1sbd n THR 127 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1sbd s PHE 128 N -3.02 1.44 -0.81 4.78 5.36 -1.25 -4.60 117.98 119.88 1sbd s PHE 128 Ca 0.08 -0.63 -0.25 0.00 -0.96 0.00 0.00 56.93 55.17 1sbd s PHE 128 Cb 0.16 -1.13 -0.06 0.00 -0.34 0.00 0.00 43.02 41.64 1sbd s PHE 128 CO 0.86 -0.39 2.06 -0.98 -1.46 0.00 0.00 175.22 175.31 1sbd s ARG 129 N 1.19 2.33 0.71 10.12 1.70 -1.26 -4.90 118.95 128.84 1sbd s ARG 129 Ca -0.05 0.12 -0.12 0.00 -0.47 0.00 0.00 55.73 55.21 1sbd s ARG 129 Cb -0.14 -4.87 0.17 0.00 -0.57 0.00 0.00 34.95 29.53 1sbd s ARG 129 CO -0.02 -3.51 0.91 0.09 -1.08 0.00 0.00 175.30 171.69 1sbd n ASN 130 N 14.94 -0.17 0.24 -2.89 5.03 -1.26 -4.87 115.26 126.28 1sbd n ASN 130 Ca 0.38 -1.29 0.13 0.00 0.87 0.00 0.00 54.58 54.67 1sbd n ASN 130 Cb 0.47 -0.71 0.50 0.00 -1.02 0.00 0.00 39.78 39.02 1sbd n ASN 130 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1sbd h SER 131 N -1.36 0.00 0.55 6.41 4.64 -2.02 -2.60 113.55 119.17 1sbd h SER 131 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1sbd h SER 131 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1sbd h SER 131 CO 0.21 0.12 -0.53 -2.67 -0.87 0.00 0.00 176.83 173.09 1sbd n TRP 132 N -3.24 0.07 -2.05 4.77 2.14 -1.26 -4.94 117.44 112.94 1sbd n TRP 132 Ca 0.01 0.02 -0.30 0.00 2.07 0.00 0.00 57.50 59.30 1sbd n TRP 132 Cb 0.40 -0.31 0.02 0.00 -0.81 0.00 0.00 31.31 30.62 1sbd n TRP 132 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1sbd s ASP 133 N -3.17 5.95 0.38 -0.67 1.01 -0.98 -4.87 116.67 114.31 1sbd s ASP 133 Ca 0.10 1.19 0.07 0.00 0.71 0.00 0.00 52.55 54.62 1sbd s ASP 133 Cb 0.17 -2.21 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 1sbd s ASP 133 CO 0.70 -0.98 0.52 -2.16 0.21 0.00 0.00 175.17 173.47 1sbd s PRO 134 N -5.14 2.99 0.26 8.23 0.04 -1.26 -4.80 135.00 135.32 1sbd s PRO 134 Ca 0.55 -1.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.21 1sbd s PRO 134 Cb -0.11 -2.78 -0.10 0.00 0.04 0.00 0.00 34.50 31.55 1sbd s PRO 134 CO 0.51 -0.10 1.46 -1.25 0.04 0.00 0.00 177.00 177.66 1sbd s PRO 135 N -4.27 4.24 0.00 0.56 0.04 -1.26 -4.78 135.00 129.53 1sbd s PRO 135 Ca 0.49 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1sbd s PRO 135 Cb -0.10 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1sbd s PRO 135 CO 0.32 -0.45 0.00 0.09 0.04 0.00 0.00 177.00 177.00 1sbd n ASN 136 N 2.24 0.00 -4.74 6.66 3.02 -1.26 -4.87 115.26 116.31 1sbd n ASN 136 Ca 0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 1sbd n ASN 136 Cb 0.40 0.58 0.05 0.00 -0.61 0.00 0.00 39.78 40.20 1sbd n ASN 136 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1sbd s PRO 137 N -3.63 2.97 0.37 3.52 0.02 -1.26 -4.92 135.00 132.06 1sbd s PRO 137 Ca 0.00 2.16 -0.07 0.00 0.02 0.00 0.00 61.00 63.12 1sbd s PRO 137 Cb 0.00 -2.12 0.03 0.00 0.02 0.00 0.00 34.50 32.42 1sbd s PRO 137 CO 0.00 -1.30 0.60 -2.39 -0.33 0.00 0.00 177.00 173.58 1sbd n HIS 138 N -1.30 -1.80 -5.25 6.54 1.44 -0.70 -2.47 115.22 111.67 1sbd n HIS 138 Ca 0.12 -2.18 -0.31 0.00 -2.01 0.00 0.00 57.72 53.35 1sbd n HIS 138 Cb 0.46 0.69 -0.16 0.00 0.12 0.00 0.00 29.99 31.10 1sbd n HIS 138 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1sbd s ILE 139 N -2.56 1.99 0.12 0.61 1.01 0.84 -0.81 121.20 122.40 1sbd s ILE 139 Ca 0.24 -1.06 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 1sbd s ILE 139 Cb -0.02 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.80 1sbd s ILE 139 CO 0.18 0.56 0.32 -0.83 0.00 0.00 0.00 174.94 175.17 1sbd s GLY 140 N -0.46 -0.05 -0.17 6.18 0.00 -0.34 0.65 107.32 113.13 1sbd s GLY 140 Ca 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 44.72 44.38 1sbd s GLY 140 CO 0.00 -0.54 -0.01 -0.42 0.00 0.00 0.00 173.10 172.14 1sbd s ILE 141 N -3.85 4.14 -0.27 0.90 1.01 -0.66 0.21 121.20 122.69 1sbd s ILE 141 Ca 0.06 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1sbd s ILE 141 Cb 0.03 -2.83 0.07 0.00 0.01 0.00 0.00 42.46 39.74 1sbd s ILE 141 CO -0.10 0.48 -0.03 0.20 0.00 0.00 0.00 174.94 175.49 1sbd s ASN 142 N 0.41 4.13 -0.57 3.58 0.01 0.15 -0.34 114.94 122.31 1sbd s ASN 142 Ca -0.02 -1.44 -0.04 0.00 -0.71 0.00 0.00 52.86 50.65 1sbd s ASN 142 Cb -0.14 -1.28 0.15 0.00 0.41 0.00 0.00 41.25 40.39 1sbd s ASN 142 CO 0.02 -0.27 0.39 -0.69 -1.51 0.00 0.00 177.10 175.04 1sbd s VAL 143 N 1.28 3.77 -1.85 1.60 1.01 -1.26 0.13 120.40 125.07 1sbd s VAL 143 Ca -0.02 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 59.37 1sbd s VAL 143 Cb -0.19 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1sbd s VAL 143 CO -0.08 -0.83 0.00 0.59 0.00 0.00 0.00 175.10 174.78 1sbd n ASN 144 N 3.93 -5.37 -3.59 3.32 5.03 0.15 -4.94 115.26 113.79 1sbd n ASN 144 Ca 0.04 0.27 -0.13 0.00 0.87 0.00 0.00 54.58 55.63 1sbd n ASN 144 Cb 0.39 -4.49 -0.06 0.00 -1.02 0.00 0.00 39.78 34.60 1sbd n ASN 144 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1sbd s SER 145 N -2.53 -0.54 0.00 6.41 0.15 -1.26 -4.97 113.70 110.97 1sbd s SER 145 Ca 0.00 0.81 0.14 0.00 0.70 0.00 0.00 55.95 57.60 1sbd s SER 145 Cb 0.00 0.74 0.69 0.00 -1.71 0.00 0.00 66.02 65.74 1sbd s SER 145 CO 0.00 -0.35 1.42 0.00 1.20 0.00 0.00 173.24 175.51 1sbd n ILE 146 N 1.53 0.74 -3.10 6.45 0.13 -1.26 -4.37 119.36 119.48 1sbd n ILE 146 Ca -0.14 0.18 -0.44 0.00 -1.10 0.00 0.00 62.75 61.25 1sbd n ILE 146 Cb 0.57 -0.94 -0.05 0.00 -0.84 0.00 0.00 39.64 38.38 1sbd n ILE 146 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1sbd s ARG 147 N -2.71 3.06 0.34 9.51 3.00 -1.26 -4.98 118.95 125.91 1sbd s ARG 147 Ca 0.11 -1.21 -0.27 0.00 0.00 0.00 0.00 55.73 54.36 1sbd s ARG 147 Cb 0.10 -4.24 -0.12 0.00 0.00 0.00 0.00 34.95 30.69 1sbd s ARG 147 CO 0.23 -1.51 1.17 0.43 0.00 0.00 0.00 175.30 175.62 1sbd n SER 148 N 6.41 2.11 0.02 0.23 7.64 -1.26 -4.73 113.62 124.03 1sbd n SER 148 Ca -0.09 1.17 0.13 0.00 1.01 0.00 0.00 58.87 61.09 1sbd n SER 148 Cb 0.43 -1.41 0.55 0.00 -1.01 0.00 0.00 64.21 62.77 1sbd n SER 148 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1sbd n ILE 149 N 0.14 0.21 -3.61 0.44 -5.35 0.54 -4.80 119.36 106.92 1sbd n ILE 149 Ca 0.07 -0.01 -0.08 0.00 -0.27 0.00 0.00 62.75 62.46 1sbd n ILE 149 Cb 0.36 -0.58 -0.06 0.00 -1.74 0.00 0.00 39.64 37.62 1sbd n ILE 149 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1sbd s LYS 150 N -3.02 0.41 0.22 6.28 2.20 -1.26 -5.02 119.74 119.55 1sbd s LYS 150 Ca 0.13 0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 55.91 1sbd s LYS 150 Cb 0.17 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1sbd s LYS 150 CO 0.51 -0.10 0.26 0.95 -0.36 0.00 0.00 175.35 176.61 1sbd s THR 151 N -0.60 0.00 -0.10 3.43 -4.23 -1.26 -1.65 115.64 111.23 1sbd s THR 151 Ca 0.02 -1.78 -0.21 0.00 -1.18 0.00 0.00 61.69 58.54 1sbd s THR 151 Cb -0.02 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.47 1sbd s THR 151 CO -0.04 0.00 0.52 0.28 -0.54 0.00 0.00 174.62 174.84 1sbd s THR 152 N -4.09 0.02 0.19 3.99 -1.32 0.21 -4.93 115.64 109.71 1sbd s THR 152 Ca 0.33 -0.13 -0.32 0.00 -1.21 0.00 0.00 61.69 60.36 1sbd s THR 152 Cb 0.04 -0.79 -0.15 0.00 -1.51 0.00 0.00 72.50 70.09 1sbd s THR 152 CO 0.11 -0.07 1.18 -1.20 -2.21 0.00 0.00 174.62 172.43 1sbd n SER 153 N 1.79 1.53 -4.16 8.08 7.64 -1.26 -0.11 113.62 127.12 1sbd n SER 153 Ca -0.17 1.15 -0.33 0.00 1.01 0.00 0.00 58.87 60.52 1sbd n SER 153 Cb 0.56 -1.25 -0.16 0.00 -1.01 0.00 0.00 64.21 62.35 1sbd n SER 153 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1sbd s TRP 154 N -0.26 2.79 -1.35 1.43 -0.00 -1.03 -4.68 118.94 115.84 1sbd s TRP 154 Ca 0.71 -1.47 -0.06 0.00 -0.00 0.00 0.00 56.10 55.28 1sbd s TRP 154 Cb -0.81 -1.93 0.10 0.00 -0.00 0.00 0.00 33.47 30.83 1sbd s TRP 154 CO 0.53 -0.72 2.45 -0.25 -0.00 0.00 0.00 176.95 178.95 1sbd n ASP 155 N 4.54 8.13 -4.50 5.86 8.00 -1.26 -4.65 116.55 132.67 1sbd n ASP 155 Ca -0.20 -3.09 -0.35 0.00 0.71 0.00 0.00 54.79 51.87 1sbd n ASP 155 Cb 0.50 -1.38 0.10 0.00 -0.02 0.00 0.00 41.12 40.32 1sbd n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sbd n LEU 156 N 1.90 1.26 -3.49 0.64 -0.00 -1.26 -5.03 117.00 111.02 1sbd n LEU 156 Ca 0.64 0.51 -0.19 0.00 -0.00 0.00 0.00 56.01 56.97 1sbd n LEU 156 Cb 0.25 -1.28 -0.13 0.00 -0.00 0.00 0.00 43.42 42.26 1sbd n LEU 156 CO 0.70 -2.98 -0.21 0.00 -0.00 0.00 0.00 177.39 174.90 1sbd s ALA 157 N -2.11 -0.24 0.51 1.47 0.00 -1.26 -5.14 121.76 115.00 1sbd s ALA 157 Ca 0.64 0.20 -0.22 0.00 0.00 0.00 0.00 51.96 52.59 1sbd s ALA 157 Cb -0.29 -1.32 -0.07 0.00 0.00 0.00 0.00 23.12 21.44 1sbd s ALA 157 CO 0.59 -1.23 1.20 -1.71 0.00 0.00 0.00 175.76 174.62 1sbd n ASN 158 N 5.32 2.00 0.00 0.00 4.05 -1.26 -1.87 115.26 123.49 1sbd n ASN 158 Ca -0.05 0.98 0.00 0.00 0.45 0.00 0.00 54.58 55.95 1sbd n ASN 158 Cb 0.49 -1.48 0.00 0.00 1.23 0.00 0.00 39.78 40.02 1sbd n ASN 158 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1sbd n ASN 159 N -0.44 0.00 -4.85 1.20 4.13 0.57 -4.94 115.26 110.92 1sbd n ASN 159 Ca 0.10 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.02 1sbd n ASN 159 Cb 0.43 -1.50 -0.06 0.00 -1.54 0.00 0.00 39.78 37.12 1sbd n ASN 159 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1sbd s LYS 160 N -0.24 3.91 -0.12 3.52 -0.14 -0.78 -4.88 119.74 121.02 1sbd s LYS 160 Ca 0.00 0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 54.71 1sbd s LYS 160 Cb 0.00 -2.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.24 1sbd s LYS 160 CO 0.00 0.46 1.17 0.08 -0.76 0.00 0.00 175.35 176.30 1sbd s VAL 161 N -1.52 4.40 -0.09 3.17 1.01 -1.26 -4.58 120.40 121.52 1sbd s VAL 161 Ca 0.39 1.70 -0.05 0.00 0.00 0.00 0.00 61.98 64.02 1sbd s VAL 161 Cb -0.14 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1sbd s VAL 161 CO 0.19 -0.06 0.11 0.00 0.00 0.00 0.00 175.10 175.34 1sbd s ALA 162 N 2.66 3.73 -0.12 5.51 0.00 -0.52 -4.34 121.76 128.68 1sbd s ALA 162 Ca 0.53 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1sbd s ALA 162 Cb -0.22 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1sbd s ALA 162 CO 0.17 0.63 -0.08 0.21 0.00 0.00 0.00 175.76 176.69 1sbd s LYS 163 N -1.15 3.33 0.08 0.00 2.20 0.31 -1.58 119.74 122.92 1sbd s LYS 163 Ca 0.17 -0.59 0.10 0.00 -0.36 0.00 0.00 55.97 55.28 1sbd s LYS 163 Cb -0.12 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 1sbd s LYS 163 CO 0.06 0.34 -0.26 0.08 -0.36 0.00 0.00 175.35 175.21 1sbd s VAL 164 N 0.06 2.24 -0.06 4.02 1.01 -0.70 -0.27 120.40 126.70 1sbd s VAL 164 Ca -0.02 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.46 1sbd s VAL 164 Cb -0.14 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1sbd s VAL 164 CO 0.03 0.27 -0.06 -0.22 0.00 0.00 0.00 175.10 175.12 1sbd s LEU 165 N -1.55 1.34 -0.07 3.92 2.96 0.42 -3.16 118.68 122.54 1sbd s LEU 165 Ca 0.13 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1sbd s LEU 165 Cb -0.10 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 46.03 1sbd s LEU 165 CO 0.04 -0.05 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.20 1sbd s ILE 166 N 0.98 1.63 -0.00 6.68 1.01 0.44 -0.78 121.20 131.16 1sbd s ILE 166 Ca -0.10 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1sbd s ILE 166 Cb -0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1sbd s ILE 166 CO 0.00 0.46 -0.06 0.42 0.00 0.00 0.00 174.94 175.77 1sbd s THR 167 N 0.29 0.46 -0.21 2.92 -4.23 0.02 -0.75 115.64 114.15 1sbd s THR 167 Ca -0.12 -0.29 -0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1sbd s THR 167 Cb -0.15 -0.40 0.05 0.00 1.34 0.00 0.00 72.50 73.34 1sbd s THR 167 CO 0.05 0.10 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.72 1sbd s TYR 168 N -0.20 2.00 -0.61 3.99 5.04 0.48 -0.40 117.35 127.64 1sbd s TYR 168 Ca 0.02 -1.44 -0.16 0.00 -2.44 0.00 0.00 57.07 53.05 1sbd s TYR 168 Cb -0.03 -1.42 0.14 0.00 0.35 0.00 0.00 41.96 41.00 1sbd s TYR 168 CO -0.00 -0.71 0.59 0.34 -1.34 0.00 0.00 175.55 174.43 1sbd s ASP 169 N 1.53 6.31 0.33 4.32 -1.08 -0.68 -2.37 116.67 125.03 1sbd s ASP 169 Ca -0.03 -1.93 0.10 0.00 -0.52 0.00 0.00 52.55 50.17 1sbd s ASP 169 Cb -0.18 -2.23 0.89 0.00 -1.46 0.00 0.00 42.92 39.95 1sbd s ASP 169 CO -0.07 -0.84 1.75 0.00 0.52 0.00 0.00 175.17 176.54 1sbd h ALA 170 N 8.70 1.86 -0.38 3.66 0.00 -1.87 2.09 119.26 133.32 1sbd h ALA 170 Ca -0.21 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1sbd h ALA 170 Cb 1.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1sbd h ALA 170 CO 0.99 -0.28 -0.27 0.66 0.00 0.00 0.00 179.25 180.35 1sbd h SER 171 N 0.59 0.82 0.06 0.00 4.64 -1.91 -2.66 113.55 115.09 1sbd h SER 171 Ca 0.61 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1sbd h SER 171 Cb 1.19 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1sbd h SER 171 CO -0.40 1.04 -0.82 0.35 -0.87 0.00 0.00 176.83 176.13 1sbd n THR 172 N -4.09 0.00 -2.79 2.95 -2.24 -0.16 -4.95 114.28 103.01 1sbd n THR 172 Ca -0.00 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1sbd n THR 172 Cb 0.46 0.94 0.01 0.00 -2.10 0.00 0.00 70.33 69.64 1sbd n THR 172 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sbd n SER 173 N -1.19 -5.66 -4.26 3.42 7.64 0.69 -4.92 113.62 109.34 1sbd n SER 173 Ca 0.05 -0.16 -0.33 0.00 1.01 0.00 0.00 58.87 59.44 1sbd n SER 173 Cb 0.36 -4.64 -0.15 0.00 -1.01 0.00 0.00 64.21 58.76 1sbd n SER 173 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1sbd s LEU 174 N -6.36 2.47 -0.18 -3.43 2.96 -0.95 -1.21 118.68 111.97 1sbd s LEU 174 Ca 0.18 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.52 1sbd s LEU 174 Cb -0.08 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1sbd s LEU 174 CO 0.22 0.08 0.15 -0.22 -1.32 0.00 0.00 176.35 175.26 1sbd s LEU 175 N 0.86 4.25 -0.04 -0.68 2.96 0.52 -1.69 118.68 124.85 1sbd s LEU 175 Ca -0.04 0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1sbd s LEU 175 Cb -0.15 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.42 1sbd s LEU 175 CO -0.01 0.21 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.39 1sbd s VAL 176 N 0.12 1.30 -0.07 1.68 1.01 0.47 -1.19 120.40 123.73 1sbd s VAL 176 Ca 0.10 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1sbd s VAL 176 Cb -0.11 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1sbd s VAL 176 CO -0.00 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.36 1sbd s ALA 177 N 0.01 1.19 -0.01 5.51 0.00 0.85 -0.80 121.76 128.52 1sbd s ALA 177 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1sbd s ALA 177 Cb -0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1sbd s ALA 177 CO 0.01 0.07 -0.10 -1.54 0.00 0.00 0.00 175.76 174.20 1sbd s SER 178 N 0.75 1.23 -0.04 0.00 1.04 0.04 -0.06 113.70 116.65 1sbd s SER 178 Ca -0.13 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1sbd s SER 178 Cb -0.15 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.80 1sbd s SER 178 CO 0.03 0.12 -0.10 -0.22 0.98 0.00 0.00 173.24 174.04 1sbd s LEU 179 N -0.16 1.68 0.02 2.42 0.20 0.17 -0.44 118.68 122.58 1sbd s LEU 179 Ca 0.03 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.64 1sbd s LEU 179 Cb -0.05 -0.65 -0.01 0.00 -0.43 0.00 0.00 46.19 45.04 1sbd s LEU 179 CO -0.00 0.04 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.34 1sbd s VAL 180 N 0.43 0.57 -0.46 1.68 1.01 0.63 -0.66 120.40 123.60 1sbd s VAL 180 Ca -0.08 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1sbd s VAL 180 Cb -0.12 -0.55 0.12 0.00 0.00 0.00 0.00 36.38 35.83 1sbd s VAL 180 CO 0.02 -0.10 0.20 -0.31 0.00 0.00 0.00 175.10 174.91 1sbd s TYR 181 N -0.73 3.09 0.27 5.22 2.02 -0.60 0.11 117.35 126.74 1sbd s TYR 181 Ca -0.03 -2.98 -0.00 0.00 -0.37 0.00 0.00 57.07 53.69 1sbd s TYR 181 Cb -0.06 -2.68 0.49 0.00 -0.40 0.00 0.00 41.96 39.31 1sbd s TYR 181 CO 0.00 -0.80 1.85 -1.35 -1.57 0.00 0.00 175.55 173.68 1sbd h PRO 182 N 6.85 1.01 -0.36 -1.71 0.10 -1.83 0.20 132.00 136.27 1sbd h PRO 182 Ca -0.06 -0.06 0.10 0.00 0.10 0.00 0.00 66.00 66.07 1sbd h PRO 182 Cb 0.93 -0.23 -0.01 0.00 0.10 0.00 0.00 31.00 31.79 1sbd h PRO 182 CO 0.61 0.67 0.25 1.03 0.10 0.00 0.00 178.00 180.67 1sbd h SER 183 N 1.04 0.02 -0.08 -2.05 0.87 -1.95 -2.83 113.55 108.58 1sbd h SER 183 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1sbd h SER 183 Cb 0.37 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1sbd h SER 183 CO -0.23 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.08 1sbd n GLN 184 N -4.44 1.32 -3.67 2.24 1.13 -0.48 -5.00 117.38 108.49 1sbd n GLN 184 Ca 0.05 -1.26 -0.27 0.00 -1.94 0.00 0.00 57.00 53.58 1sbd n GLN 184 Cb 0.42 -1.10 0.04 0.00 0.11 0.00 0.00 30.24 29.70 1sbd n GLN 184 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1sbd n ARG 185 N 0.09 -5.77 -4.86 -1.09 1.85 0.58 -4.93 116.66 102.53 1sbd n ARG 185 Ca 0.04 0.68 -0.30 0.00 -1.00 0.00 0.00 57.85 57.27 1sbd n ARG 185 Cb 0.22 -5.59 -0.15 0.00 -1.05 0.00 0.00 32.46 25.90 1sbd n ARG 185 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1sbd s THR 186 N -3.25 2.10 -0.07 8.89 2.01 -1.08 -5.03 115.64 119.23 1sbd s THR 186 Ca 0.58 -1.39 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 1sbd s THR 186 Cb -0.28 -1.80 0.05 0.00 0.01 0.00 0.00 72.50 70.47 1sbd s THR 186 CO 0.71 0.34 0.48 -0.94 -0.69 0.00 0.00 174.62 174.52 1sbd s SER 187 N -1.27 -0.43 0.03 3.53 1.04 -1.26 -1.56 113.70 113.78 1sbd s SER 187 Ca 0.11 0.51 0.03 0.00 0.48 0.00 0.00 55.95 57.09 1sbd s SER 187 Cb -0.10 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 1sbd s SER 187 CO 0.02 -0.44 -0.10 0.20 0.98 0.00 0.00 173.24 173.90 1sbd s ASN 188 N -0.93 1.20 0.18 7.02 -0.87 0.16 -4.98 114.94 116.72 1sbd s ASN 188 Ca -0.10 -0.37 0.03 0.00 -1.57 0.00 0.00 52.86 50.86 1sbd s ASN 188 Cb -0.03 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.25 41.08 1sbd s ASN 188 CO 0.05 -0.01 -0.04 -0.51 -2.57 0.00 0.00 177.10 174.02 1sbd s ILE 189 N -0.75 1.00 -0.25 0.60 2.07 -1.26 0.45 121.20 123.06 1sbd s ILE 189 Ca -0.01 -2.03 -0.25 0.00 -1.41 0.00 0.00 60.65 56.95 1sbd s ILE 189 Cb -0.07 -2.07 0.07 0.00 0.13 0.00 0.00 42.46 40.52 1sbd s ILE 189 CO 0.01 -0.55 0.71 -0.22 -1.91 0.00 0.00 174.94 172.98 1sbd s LEU 190 N -3.21 -0.72 -0.05 8.50 2.96 0.91 -4.95 118.68 122.12 1sbd s LEU 190 Ca 0.22 1.37 -0.13 0.00 -0.22 0.00 0.00 54.13 55.37 1sbd s LEU 190 Cb 0.04 2.46 0.02 0.00 0.50 0.00 0.00 46.19 49.21 1sbd s LEU 190 CO 0.04 -0.28 0.30 -0.94 -1.32 0.00 0.00 176.35 174.14 1sbd s SER 191 N 0.23 -0.23 0.16 3.68 1.04 -1.26 -0.10 113.70 117.21 1sbd s SER 191 Ca -0.01 0.28 -0.25 0.00 0.48 0.00 0.00 55.95 56.45 1sbd s SER 191 Cb -0.04 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.57 1sbd s SER 191 CO 0.02 -0.31 0.88 -0.62 0.98 0.00 0.00 173.24 174.20 1sbd s ASP 192 N -0.74 -0.24 0.06 7.02 -1.08 -0.33 -5.00 116.67 116.36 1sbd s ASP 192 Ca -0.08 -0.37 -0.15 0.00 -0.52 0.00 0.00 52.55 51.43 1sbd s ASP 192 Cb -0.04 0.53 -0.06 0.00 -1.46 0.00 0.00 42.92 41.88 1sbd s ASP 192 CO 0.02 -0.96 0.48 0.68 0.52 0.00 0.00 175.17 175.92 1sbd s VAL 193 N -3.41 4.93 -0.02 1.11 -7.23 -1.26 -0.36 120.40 114.16 1sbd s VAL 193 Ca 0.10 0.86 0.00 0.00 -1.81 0.00 0.00 61.98 61.14 1sbd s VAL 193 Cb -0.02 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 33.19 1sbd s VAL 193 CO 0.01 0.45 0.00 -0.69 -0.31 0.00 0.00 175.10 174.56 1sbd s VAL 194 N -1.23 0.15 -0.63 1.32 1.01 -0.35 -4.94 120.40 115.72 1sbd s VAL 194 Ca 0.30 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 1sbd s VAL 194 Cb -0.16 -0.23 0.09 0.00 0.00 0.00 0.00 36.38 36.07 1sbd s VAL 194 CO 0.17 0.13 0.84 -0.62 0.00 0.00 0.00 175.10 175.62 1sbd s ASP 195 N 0.89 6.19 0.27 3.32 2.15 -1.26 -4.67 116.67 123.56 1sbd s ASP 195 Ca -0.09 -1.24 -0.03 0.00 0.43 0.00 0.00 52.55 51.63 1sbd s ASP 195 Cb -0.12 -2.36 0.57 0.00 -0.30 0.00 0.00 42.92 40.71 1sbd s ASP 195 CO -0.02 -1.27 1.63 -0.07 -0.17 0.00 0.00 175.17 175.27 1sbd h LEU 196 N 10.65 -0.24 0.61 -1.34 3.38 -1.97 -2.60 115.31 123.80 1sbd h LEU 196 Ca -0.28 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1sbd h LEU 196 Cb 1.08 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1sbd h LEU 196 CO 1.14 -0.19 -0.48 0.11 0.09 0.00 0.00 178.44 179.11 1sbd h LYS 197 N 0.13 -1.02 0.00 1.13 1.57 -1.93 0.23 116.57 116.69 1sbd h LYS 197 Ca 0.48 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1sbd h LYS 197 Cb 0.92 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1sbd h LYS 197 CO -0.69 -0.68 0.00 0.25 -0.57 0.00 0.00 179.45 177.76 1sbd n THR 198 N -5.42 1.23 0.12 -0.16 -2.24 -1.14 -3.36 114.28 103.30 1sbd n THR 198 Ca -0.13 0.33 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 1sbd n THR 198 Cb 0.46 -1.18 -0.13 0.00 -2.10 0.00 0.00 70.33 67.39 1sbd n THR 198 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sbd n SER 199 N -1.63 1.05 -3.84 3.42 7.64 -0.18 -5.06 113.62 115.03 1sbd n SER 199 Ca 0.02 -0.15 -0.09 0.00 1.01 0.00 0.00 58.87 59.66 1sbd n SER 199 Cb 0.13 1.65 -0.04 0.00 -1.01 0.00 0.00 64.21 64.94 1sbd n SER 199 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sbd s LEU 200 N -3.95 0.15 0.58 -3.43 1.43 0.64 -4.38 118.68 109.72 1sbd s LEU 200 Ca -0.04 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.29 1sbd s LEU 200 Cb 0.11 2.07 -0.05 0.00 0.03 0.00 0.00 46.19 48.35 1sbd s LEU 200 CO 0.70 -1.11 1.00 -2.16 0.23 0.00 0.00 176.35 175.01 1sbd s PRO 201 N -3.93 3.68 0.52 1.29 0.04 -1.26 -4.64 135.00 130.70 1sbd s PRO 201 Ca 0.14 0.75 0.22 0.00 0.04 0.00 0.00 61.00 62.15 1sbd s PRO 201 Cb -0.01 -2.12 1.33 0.00 0.04 0.00 0.00 34.50 33.74 1sbd s PRO 201 CO 0.02 -0.46 2.04 0.93 0.04 0.00 0.00 177.00 179.57 1sbd h GLU 202 N 0.04 0.03 -6.28 4.56 5.08 -1.94 -3.40 114.58 112.66 1sbd h GLU 202 Ca -0.45 -0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.22 1sbd h GLU 202 Cb 1.19 -0.01 -0.27 0.00 0.50 0.00 0.00 28.75 30.16 1sbd h GLU 202 CO 0.62 0.02 -0.82 -1.58 -1.00 0.00 0.00 179.01 176.24 1sbd s TRP 203 N -5.06 2.55 0.18 4.33 0.52 -1.26 -0.31 118.94 119.90 1sbd s TRP 203 Ca -0.05 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 55.69 1sbd s TRP 203 Cb 0.19 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.87 1sbd s TRP 203 CO 0.71 0.02 0.11 0.14 0.02 0.00 0.00 176.95 177.95 1sbd s VAL 204 N -0.52 0.03 0.06 4.03 -7.23 0.82 -4.51 120.40 113.09 1sbd s VAL 204 Ca 0.07 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.35 1sbd s VAL 204 Cb -0.11 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 1sbd s VAL 204 CO 0.01 -0.15 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.29 1sbd s ARG 205 N -4.12 1.40 0.19 4.82 0.52 0.49 0.44 118.95 122.69 1sbd s ARG 205 Ca 0.34 -1.05 0.10 0.00 -0.52 0.00 0.00 55.73 54.61 1sbd s ARG 205 Cb 0.07 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 1sbd s ARG 205 CO 0.09 0.40 -0.18 0.96 0.02 0.00 0.00 175.30 176.58 1sbd s ILE 206 N -0.89 2.69 -0.02 1.52 -4.36 -1.26 -1.11 121.20 117.77 1sbd s ILE 206 Ca 0.08 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 1sbd s ILE 206 Cb -0.09 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1sbd s ILE 206 CO 0.03 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.69 1sbd n GLY 207 N 0.13 -1.22 3.35 6.27 0.00 -0.65 -1.59 105.19 111.48 1sbd n GLY 207 Ca -0.11 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1sbd n GLY 207 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sbd s PHE 208 N -3.00 2.23 0.05 1.61 0.08 0.12 -0.19 117.98 118.87 1sbd s PHE 208 Ca 0.00 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.69 1sbd s PHE 208 Cb 0.00 -1.26 -0.02 0.00 -0.57 0.00 0.00 43.02 41.16 1sbd s PHE 208 CO 0.00 0.23 -0.10 0.45 -0.10 0.00 0.00 175.22 175.70 1sbd s SER 209 N -1.69 1.18 -0.27 1.36 0.15 0.13 -0.32 113.70 114.23 1sbd s SER 209 Ca 0.12 -0.51 -0.23 0.00 0.70 0.00 0.00 55.95 56.03 1sbd s SER 209 Cb -0.10 -0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.27 1sbd s SER 209 CO 0.04 -0.11 0.76 0.00 1.20 0.00 0.00 173.24 175.13 1sbd s ALA 210 N -1.16 -1.84 0.07 5.45 0.00 -0.45 -0.14 121.76 123.68 1sbd s ALA 210 Ca -0.05 2.10 0.05 0.00 0.00 0.00 0.00 51.96 54.06 1sbd s ALA 210 Cb -0.09 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1sbd s ALA 210 CO 0.01 -0.34 -0.14 0.00 0.00 0.00 0.00 175.76 175.30 1sbd s ALA 211 N 0.64 1.14 0.41 0.00 0.00 -0.83 -2.34 121.76 120.78 1sbd s ALA 211 Ca -0.02 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1sbd s ALA 211 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1sbd s ALA 211 CO -0.04 0.16 0.53 0.95 0.00 0.00 0.00 175.76 177.35 1sbd s THR 212 N -1.24 3.11 0.57 0.00 -4.23 -1.04 -1.07 115.64 111.74 1sbd s THR 212 Ca -0.02 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.23 1sbd s THR 212 Cb -0.10 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1sbd s THR 212 CO 0.02 -0.03 1.35 -0.83 -0.54 0.00 0.00 174.62 174.60 1sbd s GLY 213 N -4.29 2.88 0.04 3.99 0.00 -1.04 -4.18 107.32 104.72 1sbd s GLY 213 Ca 0.52 1.32 -0.21 0.00 0.00 0.00 0.00 44.72 46.35 1sbd s GLY 213 CO 0.32 1.82 1.32 -2.00 0.00 0.00 0.00 173.10 174.56 1sbd h LEU 214 N 1.23 -0.72 -1.68 0.66 5.85 -1.94 0.64 115.31 119.35 1sbd h LEU 214 Ca -0.51 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1sbd h LEU 214 Cb 1.31 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1sbd h LEU 214 CO 0.56 -0.43 -0.11 -0.90 -0.34 0.00 0.00 178.44 177.22 1sbd n ASP 215 N -4.11 2.72 -4.40 1.25 5.75 -1.26 -2.71 116.55 113.80 1sbd n ASP 215 Ca -0.08 -1.87 -0.20 0.00 -0.01 0.00 0.00 54.79 52.63 1sbd n ASP 215 Cb 0.29 0.11 -0.10 0.00 -1.03 0.00 0.00 41.12 40.39 1sbd n ASP 215 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1sbd s ILE 216 N -2.12 1.37 0.06 2.12 -4.36 -1.24 -4.96 121.20 112.07 1sbd s ILE 216 Ca 0.26 -2.07 -0.10 0.00 -0.26 0.00 0.00 60.65 58.48 1sbd s ILE 216 Cb 0.20 -2.46 -0.30 0.00 1.25 0.00 0.00 42.46 41.15 1sbd s ILE 216 CO 0.37 -0.27 1.10 1.55 0.24 0.00 0.00 174.94 177.93 1sbd h PRO 217 N 2.32 0.43 0.00 0.37 0.13 -1.82 -2.77 132.00 130.68 1sbd h PRO 217 Ca -0.39 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 64.05 1sbd h PRO 217 Cb 1.23 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1sbd h PRO 217 CO 0.67 1.32 0.00 0.41 -0.23 0.00 0.00 178.00 180.16 1sbd n GLY 218 N 1.53 0.52 3.31 1.56 0.00 -1.26 -4.17 105.19 106.68 1sbd n GLY 218 Ca -0.12 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 1sbd n GLY 218 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sbd s GLU 219 N 0.00 0.71 0.76 1.61 1.03 -0.71 -3.92 118.70 118.18 1sbd s GLU 219 Ca 0.00 0.05 -0.12 0.00 0.03 0.00 0.00 54.97 54.93 1sbd s GLU 219 Cb 0.00 0.32 0.05 0.00 -0.80 0.00 0.00 34.13 33.70 1sbd s GLU 219 CO 0.00 -0.19 1.13 -1.54 -1.33 0.00 0.00 175.26 173.33 1sbd s SER 220 N -1.00 4.93 -0.24 0.83 1.04 -0.22 -4.71 113.70 114.34 1sbd s SER 220 Ca -0.10 1.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.32 1sbd s SER 220 Cb -0.04 -1.71 0.08 0.00 0.10 0.00 0.00 66.02 64.45 1sbd s SER 220 CO 0.05 -1.66 0.10 -1.00 0.98 0.00 0.00 173.24 171.71 1sbd s HIS 221 N -3.40 0.55 -0.13 5.02 0.09 -1.26 -2.49 115.29 113.67 1sbd s HIS 221 Ca 0.60 -0.79 -0.02 0.00 -0.00 0.00 0.00 55.06 54.84 1sbd s HIS 221 Cb -0.12 -0.95 -0.03 0.00 -0.00 0.00 0.00 32.58 31.49 1sbd s HIS 221 CO 0.51 -0.70 -0.05 -0.51 -0.00 0.00 0.00 174.74 174.00 1sbd s ASP 222 N 2.02 4.76 -0.26 1.40 1.11 -0.53 -2.65 116.67 122.51 1sbd s ASP 222 Ca 0.05 -0.10 -0.10 0.00 0.18 0.00 0.00 52.55 52.59 1sbd s ASP 222 Cb -0.16 -1.63 -0.04 0.00 1.07 0.00 0.00 42.92 42.15 1sbd s ASP 222 CO -0.22 0.22 0.14 -0.69 1.18 0.00 0.00 175.17 175.81 1sbd s VAL 223 N 0.03 5.00 -0.07 -1.27 1.01 0.68 -1.80 120.40 123.98 1sbd s VAL 223 Ca -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1sbd s VAL 223 Cb -0.13 -3.36 -0.26 0.00 0.00 0.00 0.00 36.38 32.63 1sbd s VAL 223 CO 0.03 0.30 0.57 -0.07 0.00 0.00 0.00 175.10 175.93 1sbd h LEU 224 N 8.11 0.33 -8.17 3.92 3.38 -0.82 -1.39 115.31 120.67 1sbd h LEU 224 Ca -0.36 -0.64 -0.08 0.00 0.09 0.00 0.00 57.88 56.89 1sbd h LEU 224 Cb 1.18 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 1sbd h LEU 224 CO 0.58 1.56 -0.19 -0.94 0.09 0.00 0.00 178.44 179.54 1sbd s SER 225 N -6.82 -0.06 -0.27 -0.43 1.04 -1.21 -4.17 113.70 101.77 1sbd s SER 225 Ca -0.15 -0.90 -0.22 0.00 0.48 0.00 0.00 55.95 55.16 1sbd s SER 225 Cb 0.07 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.80 1sbd s SER 225 CO 0.81 -1.05 0.74 0.86 0.98 0.00 0.00 173.24 175.58 1sbd s TRP 226 N -4.00 -0.84 0.01 5.02 -0.00 -0.64 -3.50 118.94 114.99 1sbd s TRP 226 Ca 0.21 1.92 0.01 0.00 -0.00 0.00 0.00 56.10 58.24 1sbd s TRP 226 Cb 0.01 0.37 -0.01 0.00 -0.00 0.00 0.00 33.47 33.84 1sbd s TRP 226 CO 0.06 -0.41 -0.03 -1.12 -0.00 0.00 0.00 176.95 175.45 1sbd s SER 227 N 0.71 0.35 -0.18 5.86 0.01 0.19 -1.96 113.70 118.68 1sbd s SER 227 Ca -0.03 -0.23 -0.17 0.00 1.31 0.00 0.00 55.95 56.84 1sbd s SER 227 Cb -0.05 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.24 1sbd s SER 227 CO -0.05 -0.08 0.48 0.12 0.41 0.00 0.00 173.24 174.12 1sbd s PHE 228 N -0.59 -0.53 -0.05 2.43 5.36 -0.10 -0.93 117.98 123.59 1sbd s PHE 228 Ca -0.05 1.28 -0.06 0.00 -0.96 0.00 0.00 56.93 57.13 1sbd s PHE 228 Cb -0.04 0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.83 1sbd s PHE 228 CO -0.00 -0.26 0.16 0.00 -1.46 0.00 0.00 175.22 173.66 1sbd s ALA 229 N 0.20 -0.40 0.00 11.12 0.00 -0.42 -1.20 121.76 131.06 1sbd s ALA 229 Ca -0.00 0.32 -0.08 0.00 0.00 0.00 0.00 51.96 52.20 1sbd s ALA 229 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1sbd s ALA 229 CO 0.01 -0.11 0.15 0.45 0.00 0.00 0.00 175.76 176.25 1sbd s SER 230 N -0.30 0.01 -0.03 0.00 0.15 -0.54 -1.40 113.70 111.58 1sbd s SER 230 Ca -0.04 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.46 1sbd s SER 230 Cb -0.03 0.21 -0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1sbd s SER 230 CO 0.01 -0.37 -0.14 0.21 1.20 0.00 0.00 173.24 174.14 1sbd s ASN 231 N -1.37 1.74 -0.09 5.45 3.84 -0.63 -1.71 114.94 122.17 1sbd s ASN 231 Ca -0.15 -0.28 -0.01 0.00 0.21 0.00 0.00 52.86 52.64 1sbd s ASN 231 Cb -0.07 -0.40 0.03 0.00 -0.55 0.00 0.00 41.25 40.25 1sbd s ASN 231 CO 0.02 0.13 -0.04 -0.22 -2.79 0.00 0.00 177.10 174.20 1sbd s LEU 232 N -0.01 0.90 0.58 3.21 2.96 0.19 0.49 118.68 127.00 1sbd s LEU 232 Ca -0.01 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1sbd s LEU 232 Cb -0.09 -0.63 0.06 0.00 0.50 0.00 0.00 46.19 46.03 1sbd s LEU 232 CO 0.01 -0.15 0.81 -2.16 -1.32 0.00 0.00 176.35 173.53 1sbd s PRO 233 N 1.79 2.34 0.00 0.98 0.04 -1.26 -0.08 135.00 138.81 1sbd s PRO 233 Ca 0.04 -1.01 0.32 0.00 0.04 0.00 0.00 61.00 60.39 1sbd s PRO 233 Cb -0.12 -2.50 1.85 0.00 0.04 0.00 0.00 34.50 33.76 1sbd s PRO 233 CO -0.06 -0.86 2.19 -2.39 0.04 0.00 0.00 177.00 175.92