#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwx s GLN 3 N 0.00 0.41 -0.22 5.55 -0.21 -0.83 -5.01 119.66 119.35 1uwx s GLN 3 Ca 0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 55.36 55.02 1uwx s GLN 3 Cb 0.00 0.17 0.02 0.00 1.00 0.00 0.00 33.01 34.19 1uwx s GLN 3 CO 0.00 -0.09 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.48 1uwx s LEU 4 N -1.17 2.84 -0.22 2.90 1.43 -1.26 -1.69 118.68 121.51 1uwx s LEU 4 Ca -0.13 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1uwx s LEU 4 Cb -0.07 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1uwx s LEU 4 CO 0.01 -0.07 -0.13 -1.58 0.23 0.00 0.00 176.35 174.81 1uwx s GLN 5 N 1.35 2.85 0.23 1.70 0.74 0.85 -4.04 119.66 123.35 1uwx s GLN 5 Ca 0.03 -0.95 0.02 0.00 0.05 0.00 0.00 55.36 54.51 1uwx s GLN 5 Cb -0.15 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 1uwx s GLN 5 CO -0.06 -0.33 0.40 -0.65 -0.55 0.00 0.00 175.29 174.09 1uwx s GLN 6 N 1.28 3.48 1.21 1.67 -0.21 -1.26 0.06 119.66 125.89 1uwx s GLN 6 Ca 0.01 -0.50 -0.19 0.00 0.02 0.00 0.00 55.36 54.70 1uwx s GLN 6 Cb -0.15 -2.84 0.29 0.00 1.00 0.00 0.00 33.01 31.31 1uwx s GLN 6 CO -0.08 0.38 1.09 -1.54 -2.12 0.00 0.00 175.29 173.02 1uwx s SER 7 N -3.59 0.84 0.81 5.90 1.04 -1.02 -4.99 113.70 112.69 1uwx s SER 7 Ca 0.37 0.69 -0.05 0.00 0.48 0.00 0.00 55.95 57.44 1uwx s SER 7 Cb -0.10 -0.97 0.16 0.00 0.10 0.00 0.00 66.02 65.21 1uwx s SER 7 CO 0.30 -4.18 1.11 -0.83 0.98 0.00 0.00 173.24 170.62 1uwx s GLY 8 N -3.79 1.77 0.46 7.32 0.00 -1.26 -4.72 107.32 107.09 1uwx s GLY 8 Ca 0.70 -1.65 -0.24 0.00 0.00 0.00 0.00 44.72 43.54 1uwx s GLY 8 CO 0.56 -0.99 1.21 -1.55 0.00 0.00 0.00 173.10 172.33 1uwx n PRO 9 N -3.14 1.69 -4.92 2.90 -0.04 -1.26 -4.75 135.00 125.47 1uwx n PRO 9 Ca 0.16 0.61 -0.27 0.00 -0.04 0.00 0.00 63.50 63.95 1uwx n PRO 9 Cb 0.60 -2.33 -0.16 0.00 -0.04 0.00 0.00 33.50 31.57 1uwx n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uwx s GLU 10 N -2.33 2.05 -0.14 0.54 0.41 0.27 -5.01 118.70 114.48 1uwx s GLU 10 Ca 0.64 -0.67 0.02 0.00 -0.41 0.00 0.00 54.97 54.56 1uwx s GLU 10 Cb -0.49 -1.72 0.01 0.00 -1.78 0.00 0.00 34.13 30.15 1uwx s GLU 10 CO 0.55 0.23 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.84 1uwx s LEU 11 N 0.12 2.06 0.01 1.80 1.43 -1.26 -1.15 118.68 121.70 1uwx s LEU 11 Ca -0.07 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1uwx s LEU 11 Cb -0.13 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1uwx s LEU 11 CO 0.03 0.06 -0.06 -0.54 0.23 0.00 0.00 176.35 176.07 1uwx s LYS 12 N 0.92 0.45 0.32 1.70 -0.14 -0.10 -4.98 119.74 117.90 1uwx s LYS 12 Ca -0.05 -0.38 -0.10 0.00 -1.36 0.00 0.00 55.97 54.09 1uwx s LYS 12 Cb -0.15 -0.35 -0.07 0.00 -1.68 0.00 0.00 37.83 35.58 1uwx s LYS 12 CO -0.04 0.09 0.66 0.15 -0.76 0.00 0.00 175.35 175.45 1uwx s LYS 13 N -0.62 3.78 0.14 1.68 1.02 -1.24 -1.06 119.74 123.45 1uwx s LYS 13 Ca -0.02 0.34 -0.34 0.00 0.02 0.00 0.00 55.97 55.97 1uwx s LYS 13 Cb -0.05 -2.52 -0.15 0.00 -0.52 0.00 0.00 37.83 34.59 1uwx s LYS 13 CO -0.00 0.14 1.34 -2.30 -0.92 0.00 0.00 175.35 173.61 1uwx n PRO 14 N -0.79 1.45 0.00 -1.68 -0.02 -1.26 -2.18 135.00 130.52 1uwx n PRO 14 Ca 0.01 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1uwx n PRO 14 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1uwx n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwx n GLY 15 N 2.49 0.70 3.94 -1.23 0.00 -0.36 -4.92 105.19 105.80 1uwx n GLY 15 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1uwx n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uwx s GLU 16 N -0.78 0.48 0.03 1.61 2.02 -0.93 -4.17 118.70 116.97 1uwx s GLU 16 Ca 0.00 -0.52 0.08 0.00 0.02 0.00 0.00 54.97 54.55 1uwx s GLU 16 Cb 0.00 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1uwx s GLU 16 CO 0.00 -2.50 -0.22 0.99 0.02 0.00 0.00 175.26 173.55 1uwx s THR 17 N -3.91 2.46 0.11 3.63 2.01 -1.26 -1.78 115.64 116.90 1uwx s THR 17 Ca 0.76 -1.24 0.09 0.00 0.31 0.00 0.00 61.69 61.61 1uwx s THR 17 Cb -0.03 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1uwx s THR 17 CO 0.53 0.39 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.95 1uwx s VAL 18 N -0.83 2.66 -0.14 3.82 1.01 -0.66 -5.01 120.40 121.25 1uwx s VAL 18 Ca 0.13 -1.52 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1uwx s VAL 18 Cb -0.10 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.13 1uwx s VAL 18 CO 0.03 0.14 -0.03 -0.75 0.00 0.00 0.00 175.10 174.49 1uwx s LYS 19 N -1.99 1.16 0.05 2.72 2.20 -1.26 -1.67 119.74 120.95 1uwx s LYS 19 Ca 0.16 -0.31 0.09 0.00 -0.36 0.00 0.00 55.97 55.55 1uwx s LYS 19 Cb -0.10 -1.71 -0.03 0.00 -1.51 0.00 0.00 37.83 34.48 1uwx s LYS 19 CO 0.08 -0.40 -0.26 -0.48 -0.36 0.00 0.00 175.35 173.93 1uwx s LEU 20 N 1.75 2.21 0.22 5.43 0.05 0.15 -4.95 118.68 123.54 1uwx s LEU 20 Ca 0.02 -0.59 0.06 0.00 0.05 0.00 0.00 54.13 53.67 1uwx s LEU 20 Cb -0.14 -1.30 -0.03 0.00 -2.05 0.00 0.00 46.19 42.66 1uwx s LEU 20 CO -0.07 0.25 0.25 -0.94 -0.55 0.00 0.00 176.35 175.29 1uwx s SER 21 N -1.30 5.84 -0.23 1.48 1.04 -1.26 -0.55 113.70 118.72 1uwx s SER 21 Ca 0.12 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 1uwx s SER 21 Cb -0.10 -1.60 0.08 0.00 0.10 0.00 0.00 66.02 64.50 1uwx s SER 21 CO 0.02 -0.02 0.10 0.00 0.98 0.00 0.00 173.24 174.32 1uwx s LYS 23 N 2.04 4.14 -0.10 0.00 2.20 0.11 -1.46 119.74 126.67 1uwx s LYS 23 Ca 0.05 0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.76 1uwx s LYS 23 Cb -0.16 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1uwx s LYS 23 CO -0.22 -0.08 0.12 0.00 -0.36 0.00 0.00 175.35 174.81 1uwx s ALA 24 N 1.43 3.77 0.06 3.13 0.00 -0.58 -0.10 121.76 129.46 1uwx s ALA 24 Ca 0.18 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 1uwx s ALA 24 Cb -0.15 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 1uwx s ALA 24 CO 0.08 0.62 0.09 -1.54 0.00 0.00 0.00 175.76 175.02 1uwx s SER 25 N -1.07 0.24 0.00 0.00 1.04 -0.68 -4.81 113.70 108.41 1uwx s SER 25 Ca 0.16 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1uwx s SER 25 Cb -0.12 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1uwx s SER 25 CO 0.05 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1uwx n GLY 26 N 0.36 0.64 3.29 7.32 0.00 -1.26 -1.96 105.19 113.58 1uwx n GLY 26 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1uwx n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uwx s TYR 27 N -2.28 0.25 -0.11 1.61 -0.85 -1.26 -4.73 117.35 109.99 1uwx s TYR 27 Ca 0.00 -0.64 -0.29 0.00 -0.52 0.00 0.00 57.07 55.62 1uwx s TYR 27 Cb 0.00 -0.03 -0.06 0.00 0.38 0.00 0.00 41.96 42.25 1uwx s TYR 27 CO 0.00 -0.66 2.03 0.99 -1.52 0.00 0.00 175.55 176.39 1uwx s THR 28 N -3.91 3.11 0.28 -3.49 2.01 -1.26 -4.87 115.64 107.50 1uwx s THR 28 Ca 0.11 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1uwx s THR 28 Cb 0.04 -3.11 0.27 0.00 0.01 0.00 0.00 72.50 69.71 1uwx s THR 28 CO -0.05 -0.05 1.83 0.15 -0.69 0.00 0.00 174.62 175.81 1uwx h PHE 29 N 12.53 1.09 -0.00 4.92 3.57 -1.95 -2.55 116.94 134.55 1uwx h PHE 29 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1uwx h PHE 29 Cb 1.23 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1uwx h PHE 29 CO 0.94 0.43 -0.00 0.25 -2.23 0.00 0.00 178.31 177.70 1uwx n THR 30 N -4.65 0.00 0.00 4.41 -2.24 -1.26 -3.79 114.28 106.75 1uwx n THR 30 Ca 0.18 -0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.90 1uwx n THR 30 Cb 0.35 -0.49 0.13 0.00 -2.10 0.00 0.00 70.33 68.22 1uwx n THR 30 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1uwx h ASN 31 N 0.02 0.55 -4.32 3.42 2.35 -1.81 -3.34 115.58 112.45 1uwx h ASN 31 Ca 0.00 -0.23 -0.48 0.00 -0.55 0.00 0.00 56.30 55.04 1uwx h ASN 31 Cb 0.20 -0.15 -0.24 0.00 0.05 0.00 0.00 38.32 38.17 1uwx h ASN 31 CO 0.00 0.87 -0.80 -0.36 -1.65 0.00 0.00 177.43 175.48 1uwx s PHE 32 N -4.31 1.38 0.69 1.19 0.40 -1.25 -4.94 117.98 111.15 1uwx s PHE 32 Ca -0.07 -0.37 -0.08 0.00 -0.60 0.00 0.00 56.93 55.81 1uwx s PHE 32 Cb 0.13 -0.81 0.04 0.00 0.51 0.00 0.00 43.02 42.89 1uwx s PHE 32 CO 0.81 0.06 1.03 0.20 0.70 0.00 0.00 175.22 178.02 1uwx s GLY 33 N -1.24 1.64 -0.07 4.36 0.00 -1.26 -4.39 107.32 106.35 1uwx s GLY 33 Ca 0.03 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1uwx s GLY 33 CO 0.02 -0.34 -0.17 1.08 0.00 0.00 0.00 173.10 173.69 1uwx s LEU 34 N -5.26 1.85 0.02 0.66 1.43 -0.92 -1.73 118.68 114.72 1uwx s LEU 34 Ca 0.59 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1uwx s LEU 34 Cb -0.11 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1uwx s LEU 34 CO 0.47 0.10 -0.08 0.20 0.23 0.00 0.00 176.35 177.27 1uwx s ASN 35 N 0.41 4.52 -0.10 2.29 0.01 0.25 -1.02 114.94 121.30 1uwx s ASN 35 Ca -0.13 -0.20 0.04 0.00 -0.71 0.00 0.00 52.86 51.86 1uwx s ASN 35 Cb -0.16 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.50 1uwx s ASN 35 CO 0.05 0.27 -0.24 0.26 -1.51 0.00 0.00 177.10 175.93 1uwx s TRP 36 N -1.02 2.56 0.11 2.20 0.52 -0.91 -0.40 118.94 122.00 1uwx s TRP 36 Ca 0.17 -1.06 0.10 0.00 0.02 0.00 0.00 56.10 55.33 1uwx s TRP 36 Cb -0.11 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1uwx s TRP 36 CO 0.08 -0.43 -0.24 -1.64 0.02 0.00 0.00 176.95 174.74 1uwx s MET 37 N 0.35 1.60 -0.11 4.98 -1.94 0.38 -0.53 119.30 124.04 1uwx s MET 37 Ca -0.19 -1.24 -0.00 0.00 -1.71 0.00 0.00 55.69 52.55 1uwx s MET 37 Cb -0.18 -1.98 -0.02 0.00 2.01 0.00 0.00 34.83 34.66 1uwx s MET 37 CO 0.09 0.47 -0.09 0.21 -0.01 0.00 0.00 175.02 175.69 1uwx s LYS 38 N -1.89 3.17 -0.25 2.03 2.20 0.04 -1.55 119.74 123.50 1uwx s LYS 38 Ca 0.14 -0.61 -0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1uwx s LYS 38 Cb -0.10 -2.66 0.07 0.00 -1.51 0.00 0.00 37.83 33.63 1uwx s LYS 38 CO 0.06 0.40 0.01 -1.14 -0.36 0.00 0.00 175.35 174.31 1uwx s GLN 39 N -0.10 1.20 0.58 4.03 0.74 0.21 -1.24 119.66 125.07 1uwx s GLN 39 Ca -0.00 -0.94 -0.17 0.00 0.05 0.00 0.00 55.36 54.31 1uwx s GLN 39 Cb -0.13 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.53 1uwx s GLN 39 CO 0.03 -0.71 1.06 0.00 -0.55 0.00 0.00 175.29 175.12 1uwx s ALA 40 N 1.51 2.74 0.00 1.58 0.00 -1.26 -0.87 121.76 125.47 1uwx s ALA 40 Ca -0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1uwx s ALA 40 Cb -0.18 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1uwx s ALA 40 CO -0.10 -0.75 0.20 -2.30 0.00 0.00 0.00 175.76 172.81 1uwx n PRO 41 N -1.84 0.00 -0.93 0.00 -0.02 -1.26 -0.19 135.00 130.76 1uwx n PRO 41 Ca 0.09 0.20 -0.08 0.00 -2.02 0.00 0.00 63.50 61.69 1uwx n PRO 41 Cb 0.53 -0.35 0.25 0.00 -0.02 0.00 0.00 33.50 33.90 1uwx n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwx n GLY 42 N -0.78 3.51 3.70 -1.23 0.00 -1.26 -4.99 105.19 104.14 1uwx n GLY 42 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 1uwx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uwx n LYS 43 N -0.24 0.70 -2.32 1.61 4.01 0.73 -5.15 118.16 117.50 1uwx n LYS 43 Ca 0.39 -3.33 -0.25 0.00 -0.51 0.00 0.00 58.31 54.60 1uwx n LYS 43 Cb 1.31 0.34 0.11 0.00 -0.51 0.00 0.00 35.03 36.28 1uwx n LYS 43 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1uwx s GLY 44 N -4.18 1.75 0.09 0.72 0.00 -1.26 -4.66 107.32 99.78 1uwx s GLY 44 Ca 0.31 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1uwx s GLY 44 CO 0.20 -0.79 1.01 1.08 0.00 0.00 0.00 173.10 174.59 1uwx s LEU 45 N -5.32 4.45 -0.11 0.66 1.43 -1.26 -4.39 118.68 114.15 1uwx s LEU 45 Ca 0.66 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 55.60 1uwx s LEU 45 Cb -0.07 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.58 1uwx s LEU 45 CO 0.46 -0.17 -0.18 -0.54 0.23 0.00 0.00 176.35 176.15 1uwx s LYS 46 N 0.30 2.48 -0.24 1.70 -0.14 -0.38 -4.99 119.74 118.48 1uwx s LYS 46 Ca 0.50 -0.66 -0.28 0.00 -1.36 0.00 0.00 55.97 54.16 1uwx s LYS 46 Cb -0.24 -2.02 0.01 0.00 -1.68 0.00 0.00 37.83 33.89 1uwx s LYS 46 CO 0.30 0.00 1.00 -0.46 -0.76 0.00 0.00 175.35 175.43 1uwx s TRP 47 N 0.80 3.33 -0.09 3.18 -0.00 -1.26 -0.78 118.94 124.11 1uwx s TRP 47 Ca -0.10 1.40 0.15 0.00 -0.00 0.00 0.00 56.10 57.55 1uwx s TRP 47 Cb -0.16 -3.24 -0.15 0.00 -0.00 0.00 0.00 33.47 29.92 1uwx s TRP 47 CO 0.01 -0.48 0.84 0.52 -0.00 0.00 0.00 176.95 177.84 1uwx h MET 48 N 7.51 0.00 0.00 5.86 2.86 -1.18 -3.44 114.93 126.54 1uwx h MET 48 Ca -0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1uwx h MET 48 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1uwx h MET 48 CO 0.96 0.38 0.00 0.41 1.06 0.00 0.00 176.91 179.72 1uwx n GLY 49 N 1.42 0.26 3.32 8.32 0.00 -1.24 -1.23 105.19 116.04 1uwx n GLY 49 Ca -0.10 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 1uwx n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uwx s TRP 50 N -1.84 0.06 -0.05 1.61 1.48 0.06 -2.14 118.94 118.12 1uwx s TRP 50 Ca 0.00 -0.43 0.04 0.00 -1.06 0.00 0.00 56.10 54.65 1uwx s TRP 50 Cb 0.00 0.11 -0.00 0.00 -1.16 0.00 0.00 33.47 32.42 1uwx s TRP 50 CO 0.00 -0.69 -0.16 -1.50 -4.06 0.00 0.00 176.95 170.53 1uwx s ILE 51 N -3.87 1.38 -0.33 0.66 2.07 -0.19 -0.36 121.20 120.55 1uwx s ILE 51 Ca 0.08 -0.68 -0.29 0.00 -1.41 0.00 0.00 60.65 58.35 1uwx s ILE 51 Cb 0.03 -1.19 0.01 0.00 0.13 0.00 0.00 42.46 41.43 1uwx s ILE 51 CO -0.07 0.40 1.16 0.21 -1.91 0.00 0.00 174.94 174.73 1uwx s ASN 52 N 0.12 6.80 0.42 4.50 3.84 -0.31 -2.17 114.94 128.14 1uwx s ASN 52 Ca -0.05 1.03 0.29 0.00 0.21 0.00 0.00 52.86 54.34 1uwx s ASN 52 Cb -0.12 -2.54 1.15 0.00 -0.55 0.00 0.00 41.25 39.19 1uwx s ASN 52 CO 0.02 -1.00 1.86 0.71 -2.79 0.00 0.00 177.10 175.90 1uwx h THR 52 N 5.88 0.00 0.00 -5.21 1.35 -1.86 0.20 112.91 113.26 1uwx h THR 52 Ca -0.23 -0.43 -0.20 0.00 -0.55 0.00 0.00 66.41 65.01 1uwx h THR 52 Cb 1.07 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 68.79 1uwx h THR 52 CO 1.05 0.00 -1.43 0.22 -0.25 0.00 0.00 175.52 175.10 1uwx h TYR 53 N 0.00 0.00 0.00 4.73 5.03 -1.89 -3.43 116.97 121.41 1uwx h TYR 53 Ca 0.00 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 1uwx h TYR 53 Cb 0.49 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 1uwx h TYR 53 CO 0.00 0.70 -1.40 2.41 -1.32 0.00 0.00 178.16 178.54 1uwx n THR 54 N -2.96 0.35 -0.04 1.81 -1.04 -1.11 -5.01 114.28 106.28 1uwx n THR 54 Ca -0.11 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1uwx n THR 54 Cb 0.89 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1uwx n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uwx n GLY 55 N 2.53 1.99 3.69 3.41 0.00 0.68 -5.02 105.19 112.48 1uwx n GLY 55 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1uwx n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uwx s GLU 56 N -0.31 4.25 -0.03 1.61 2.12 -1.26 -4.74 118.70 120.34 1uwx s GLU 56 Ca 0.00 2.05 -0.03 0.00 0.36 0.00 0.00 54.97 57.35 1uwx s GLU 56 Cb 0.00 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1uwx s GLU 56 CO 0.00 -0.64 0.15 -1.12 -0.54 0.00 0.00 175.26 173.11 1uwx s SER 57 N 2.12 6.22 -0.12 -1.70 0.01 -1.26 -1.16 113.70 117.80 1uwx s SER 57 Ca 0.66 0.33 0.02 0.00 1.31 0.00 0.00 55.95 58.28 1uwx s SER 57 Cb -0.33 -1.93 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1uwx s SER 57 CO 0.28 0.30 -0.18 -0.89 0.41 0.00 0.00 173.24 173.16 1uwx s THR 58 N -1.22 1.71 -0.17 1.44 2.01 0.51 -5.01 115.64 114.91 1uwx s THR 58 Ca 0.23 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 1uwx s THR 58 Cb -0.12 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1uwx s THR 58 CO 0.14 0.48 0.01 -0.31 -0.69 0.00 0.00 174.62 174.25 1uwx s TYR 59 N 0.92 3.12 0.71 4.92 2.02 -1.26 -0.76 117.35 127.01 1uwx s TYR 59 Ca -0.07 -0.17 -0.16 0.00 -0.37 0.00 0.00 57.07 56.30 1uwx s TYR 59 Cb -0.15 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 1uwx s TYR 59 CO -0.02 0.02 1.10 0.00 -1.57 0.00 0.00 175.55 175.08 1uwx n ALA 60 N 3.62 0.21 -0.20 3.71 0.00 -0.36 -4.91 120.51 122.59 1uwx n ALA 60 Ca -0.17 -0.15 0.21 0.00 0.00 0.00 0.00 53.44 53.33 1uwx n ALA 60 Cb 0.52 -2.20 0.58 0.00 0.00 0.00 0.00 19.45 18.36 1uwx n ALA 60 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1uwx h ASP 61 N -0.10 0.26 0.37 0.00 5.19 -1.94 -0.60 116.42 119.59 1uwx h ASP 61 Ca -0.48 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1uwx h ASP 61 Cb 1.33 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1uwx h ASP 61 CO 0.49 0.11 -0.00 0.47 -3.12 0.00 0.00 179.24 177.18 1uwx n ASP 62 N -4.44 0.03 -1.97 6.45 8.00 -1.26 -3.85 116.55 119.51 1uwx n ASP 62 Ca 0.18 -0.46 -0.07 0.00 0.71 0.00 0.00 54.79 55.15 1uwx n ASP 62 Cb 0.74 -0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.72 1uwx n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1uwx n PHE 63 N -1.17 1.41 -3.87 1.24 3.01 -0.23 -5.02 117.46 112.83 1uwx n PHE 63 Ca 0.18 -1.82 -0.35 0.00 1.01 0.00 0.00 57.45 56.46 1uwx n PHE 63 Cb 0.20 -0.26 -0.08 0.00 -0.01 0.00 0.00 39.48 39.33 1uwx n PHE 63 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1uwx s LYS 64 N -3.08 3.92 0.00 -1.08 1.02 -1.24 -4.40 119.74 114.88 1uwx s LYS 64 Ca 0.39 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.13 1uwx s LYS 64 Cb 0.37 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1uwx s LYS 64 CO -0.04 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1uwx n GLY 65 N 3.13 2.41 0.39 -3.33 0.00 -1.26 -4.82 105.19 101.71 1uwx n GLY 65 Ca -0.17 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.29 1uwx n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwx n ARG 66 N 0.00 1.38 -4.78 1.61 1.74 -1.26 -4.90 116.66 110.44 1uwx n ARG 66 Ca 0.00 -0.78 -0.33 0.00 -0.77 0.00 0.00 57.85 55.97 1uwx n ARG 66 Cb 0.00 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.82 1uwx n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uwx s PHE 67 N -2.16 2.80 -0.05 -1.55 0.40 -1.26 -4.23 117.98 111.93 1uwx s PHE 67 Ca 0.34 -0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1uwx s PHE 67 Cb 0.20 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.98 1uwx s PHE 67 CO 0.39 -0.08 0.08 0.00 0.70 0.00 0.00 175.22 176.31 1uwx s ALA 68 N 0.04 0.11 0.08 5.36 0.00 -0.44 -4.93 121.76 121.97 1uwx s ALA 68 Ca -0.04 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 1uwx s ALA 68 Cb -0.14 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1uwx s ALA 68 CO 0.04 -0.46 0.32 -0.06 0.00 0.00 0.00 175.76 175.60 1uwx s PHE 69 N 2.07 3.52 0.32 0.00 2.99 -1.26 -0.81 117.98 124.82 1uwx s PHE 69 Ca 0.03 0.54 -0.07 0.00 0.00 0.00 0.00 56.93 57.42 1uwx s PHE 69 Cb -0.12 -1.98 0.01 0.00 0.00 0.00 0.00 43.02 40.93 1uwx s PHE 69 CO -0.04 0.52 0.52 -1.54 -0.00 0.00 0.00 175.22 174.69 1uwx s SER 70 N -2.15 0.51 0.01 1.36 1.04 -0.59 -4.98 113.70 108.90 1uwx s SER 70 Ca 0.35 -1.29 0.02 0.00 0.48 0.00 0.00 55.95 55.51 1uwx s SER 70 Cb -0.13 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1uwx s SER 70 CO 0.22 -1.32 -0.07 -0.76 0.98 0.00 0.00 173.24 172.29 1uwx s LEU 71 N -3.16 2.07 -0.46 2.42 1.43 -1.26 -0.62 118.68 119.10 1uwx s LEU 71 Ca 0.26 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1uwx s LEU 71 Cb -0.01 -0.33 0.13 0.00 0.03 0.00 0.00 46.19 46.01 1uwx s LEU 71 CO 0.16 0.03 0.21 -0.70 0.23 0.00 0.00 176.35 176.28 1uwx s GLU 72 N -0.47 1.62 0.30 1.70 2.56 -0.25 -5.00 118.70 119.17 1uwx s GLU 72 Ca 0.00 -2.24 -0.00 0.00 0.00 0.00 0.00 54.97 52.73 1uwx s GLU 72 Cb -0.04 -2.92 0.47 0.00 2.00 0.00 0.00 34.13 33.63 1uwx s GLU 72 CO -0.00 -1.09 1.90 1.15 -0.56 0.00 0.00 175.26 176.65 1uwx h THR 73 N 5.64 1.21 0.00 -1.70 2.02 -1.97 -2.47 112.91 115.64 1uwx h THR 73 Ca -0.06 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1uwx h THR 73 Cb 0.93 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1uwx h THR 73 CO 0.59 0.25 -0.41 0.77 0.37 0.00 0.00 175.52 177.09 1uwx h SER 74 N 0.86 0.00 -0.50 4.18 4.64 -1.95 -2.29 113.55 118.49 1uwx h SER 74 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1uwx h SER 74 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1uwx h SER 74 CO -0.02 0.41 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 1uwx n ALA 75 N -2.43 3.03 -4.11 5.18 0.00 -0.95 -4.97 120.51 116.26 1uwx n ALA 75 Ca -0.02 -1.25 -0.32 0.00 0.00 0.00 0.00 53.44 51.86 1uwx n ALA 75 Cb 0.45 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 1uwx n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uwx n SER 76 N 0.80 -2.13 -4.11 0.00 7.64 -0.86 -4.80 113.62 110.16 1uwx n SER 76 Ca 0.20 -1.00 -0.23 0.00 1.01 0.00 0.00 58.87 58.85 1uwx n SER 76 Cb 0.75 -2.91 -0.15 0.00 -1.01 0.00 0.00 64.21 60.89 1uwx n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1uwx s THR 77 N -3.58 1.16 0.09 0.44 2.01 -1.07 -1.53 115.64 113.17 1uwx s THR 77 Ca 0.43 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.88 1uwx s THR 77 Cb -0.23 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1uwx s THR 77 CO 0.91 0.33 -0.08 0.00 -0.69 0.00 0.00 174.62 175.09 1uwx s ALA 78 N -0.23 3.03 0.05 7.40 0.00 -0.53 -1.09 121.76 130.39 1uwx s ALA 78 Ca 0.03 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 50.86 1uwx s ALA 78 Cb -0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1uwx s ALA 78 CO -0.00 0.65 -0.19 0.71 0.00 0.00 0.00 175.76 176.93 1uwx s TYR 79 N -1.22 1.69 -0.20 0.00 1.51 0.21 -0.45 117.35 118.89 1uwx s TYR 79 Ca 0.22 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1uwx s TYR 79 Cb -0.11 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 1uwx s TYR 79 CO 0.14 0.10 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.44 1uwx s LEU 80 N -1.28 2.81 -0.15 -1.29 2.96 0.29 -1.55 118.68 120.48 1uwx s LEU 80 Ca 0.06 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1uwx s LEU 80 Cb -0.09 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1uwx s LEU 80 CO 0.02 0.03 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.40 1uwx s GLN 81 N 1.17 3.42 0.50 1.98 0.74 0.01 -0.67 119.66 126.80 1uwx s GLN 81 Ca 0.02 -0.65 0.04 0.00 0.05 0.00 0.00 55.36 54.82 1uwx s GLN 81 Cb -0.14 -2.74 -0.00 0.00 1.10 0.00 0.00 33.01 31.23 1uwx s GLN 81 CO -0.02 0.14 0.21 0.42 -0.55 0.00 0.00 175.29 175.49 1uwx s ILE 82 N 0.57 1.65 0.00 -2.34 1.01 -0.67 -1.33 121.20 120.09 1uwx s ILE 82 Ca -0.07 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 58.87 1uwx s ILE 82 Cb -0.15 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1uwx s ILE 82 CO 0.03 0.00 0.00 -3.20 0.00 0.00 0.00 174.94 171.77 1uwx n ASN 82 N -1.47 0.00 -4.71 3.58 5.15 -0.94 -1.65 115.26 115.22 1uwx n ASN 82 Ca -0.07 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.53 1uwx n ASN 82 Cb 0.65 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.96 1uwx n ASN 82 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1uwx n VAL 82 N -0.50 4.14 -4.38 3.44 0.24 -0.73 -4.48 118.33 116.06 1uwx n VAL 82 Ca 0.00 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.59 1uwx n VAL 82 Cb 0.00 -1.49 -0.08 0.00 -1.47 0.00 0.00 33.84 30.80 1uwx n VAL 82 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1uwx s LYS 83 N -2.99 1.76 0.46 7.34 0.00 -1.26 -1.23 119.74 123.82 1uwx s LYS 83 Ca 0.76 -2.03 0.25 0.00 0.00 0.00 0.00 55.97 54.95 1uwx s LYS 83 Cb -0.41 -0.14 1.27 0.00 0.00 0.00 0.00 37.83 38.56 1uwx s LYS 83 CO 0.46 -0.52 1.80 -0.91 0.00 0.00 0.00 175.35 176.18 1uwx h ASN 84 N 2.05 0.26 0.87 0.03 2.35 -1.97 -0.23 115.58 118.95 1uwx h ASN 84 Ca -0.31 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1uwx h ASN 84 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1uwx h ASN 84 CO 0.49 0.06 0.00 -1.84 -1.65 0.00 0.00 177.43 174.48 1uwx n GLU 85 N -4.45 0.20 0.01 0.81 0.28 -1.26 -3.00 120.64 113.23 1uwx n GLU 85 Ca 0.24 0.37 0.13 0.00 -0.16 0.00 0.00 57.16 57.74 1uwx n GLU 85 Cb 0.97 -1.84 0.50 0.00 1.43 0.00 0.00 31.44 32.51 1uwx n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1uwx n ASP 86 N -2.20 0.21 -4.60 -1.84 8.00 -0.10 -4.81 116.55 111.21 1uwx n ASP 86 Ca 0.03 0.34 -0.43 0.00 0.71 0.00 0.00 54.79 55.44 1uwx n ASP 86 Cb 0.27 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1uwx n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1uwx s THR 87 N -3.02 3.24 0.02 -3.53 2.01 -1.16 -4.80 115.64 108.39 1uwx s THR 87 Ca 0.13 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 1uwx s THR 87 Cb 0.18 -3.32 0.10 0.00 0.01 0.00 0.00 72.50 69.47 1uwx s THR 87 CO 0.58 -0.20 1.25 0.00 -0.69 0.00 0.00 174.62 175.55 1uwx s ALA 88 N 7.65 -2.28 -0.10 7.40 0.00 -1.06 -4.49 121.76 128.88 1uwx s ALA 88 Ca 0.90 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 1uwx s ALA 88 Cb -0.28 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1uwx s ALA 88 CO 0.34 -1.12 0.04 0.99 0.00 0.00 0.00 175.76 176.01 1uwx s THR 89 N -2.13 4.63 -0.10 0.00 2.01 -0.05 -1.74 115.64 118.26 1uwx s THR 89 Ca 0.25 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1uwx s THR 89 Cb 0.00 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 1uwx s THR 89 CO -0.00 0.60 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.03 1uwx s TYR 90 N -0.85 2.64 -0.04 4.92 1.51 0.39 -0.62 117.35 125.30 1uwx s TYR 90 Ca 0.13 -0.74 0.06 0.00 -1.01 0.00 0.00 57.07 55.51 1uwx s TYR 90 Cb -0.12 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1uwx s TYR 90 CO 0.03 -0.24 -0.22 -0.06 -1.11 0.00 0.00 175.55 173.94 1uwx s PHE 91 N 0.14 2.47 0.20 2.71 0.40 -0.60 -0.49 117.98 122.81 1uwx s PHE 91 Ca -0.10 -0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 55.72 1uwx s PHE 91 Cb -0.16 -1.57 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 1uwx s PHE 91 CO 0.06 -0.05 0.43 0.00 0.70 0.00 0.00 175.22 176.36 1uwx s ALA 93 N -1.84 -0.83 0.03 0.00 0.00 0.47 -0.78 121.76 118.81 1uwx s ALA 93 Ca 0.41 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1uwx s ALA 93 Cb -0.11 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 1uwx s ALA 93 CO 0.27 -0.18 1.44 0.50 0.00 0.00 0.00 175.76 177.80 1uwx s ARG 94 N 0.47 4.27 -0.55 0.00 3.52 0.08 -0.58 118.95 126.16 1uwx s ARG 94 Ca -0.02 2.05 -0.24 0.00 -0.13 0.00 0.00 55.73 57.38 1uwx s ARG 94 Cb -0.04 -3.52 0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1uwx s ARG 94 CO -0.02 -0.58 0.96 0.20 -0.81 0.00 0.00 175.30 175.05 1uwx s GLY 95 N 1.83 1.39 -0.56 8.12 0.00 -0.71 -2.66 107.32 114.74 1uwx s GLY 95 Ca 0.66 -1.19 -0.28 0.00 0.00 0.00 0.00 44.72 43.91 1uwx s GLY 95 CO 0.28 2.08 1.36 -0.12 0.00 0.00 0.00 173.10 176.70 1uwx s PHE 96 N 4.01 2.36 0.14 1.90 5.36 0.35 -4.09 117.98 128.02 1uwx s PHE 96 Ca 0.31 0.46 -0.23 0.00 -0.96 0.00 0.00 56.93 56.52 1uwx s PHE 96 Cb -0.12 -4.42 0.07 0.00 -0.34 0.00 0.00 43.02 38.20 1uwx s PHE 96 CO 0.20 -1.89 0.58 -0.47 -1.46 0.00 0.00 175.22 172.18 1uwx s TYR 97 N 5.77 -0.50 0.27 10.12 5.04 -1.26 -3.24 117.35 133.54 1uwx s TYR 97 Ca 0.50 0.33 -0.21 0.00 -2.44 0.00 0.00 57.07 55.25 1uwx s TYR 97 Cb -0.10 0.51 0.02 0.00 0.35 0.00 0.00 41.96 42.74 1uwx s TYR 97 CO 0.25 -0.81 0.70 1.52 -1.34 0.00 0.00 175.55 175.86 1uwx s TYR 98 N -3.58 -0.19 -0.09 4.97 -0.85 -1.26 -4.87 117.35 111.48 1uwx s TYR 98 Ca 0.00 -0.25 -0.30 0.00 -0.52 0.00 0.00 57.07 56.01 1uwx s TYR 98 Cb -0.01 0.67 -0.08 0.00 0.38 0.00 0.00 41.96 42.92 1uwx s TYR 98 CO -0.11 -1.19 2.08 0.98 -1.52 0.00 0.00 175.55 175.78 1uwx n TYR 99 N -0.45 2.24 -0.32 -3.49 9.36 -1.26 -1.07 117.16 122.17 1uwx n TYR 99 Ca -0.05 -0.21 0.00 0.00 3.32 0.00 0.00 57.90 60.96 1uwx n TYR 99 Cb 0.60 -2.75 0.00 0.00 -0.63 0.00 0.00 39.34 36.56 1uwx n TYR 99 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1uwx n GLY 100 N 5.11 0.67 3.77 2.98 0.00 -1.26 -5.07 105.19 111.40 1uwx n GLY 100 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1uwx n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uwx s SER 100 N -2.92 6.58 0.27 1.61 0.15 -0.24 -4.94 113.70 114.21 1uwx s SER 100 Ca 0.00 2.29 0.20 0.00 0.70 0.00 0.00 55.95 59.14 1uwx s SER 100 Cb 0.00 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 61.80 1uwx s SER 100 CO 0.00 -0.63 1.26 0.03 1.20 0.00 0.00 173.24 175.10 1uwx h ARG 100 N 2.64 0.00 -6.01 5.44 3.08 -1.98 -3.48 114.38 114.07 1uwx h ARG 100 Ca -0.49 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.03 1uwx h ARG 100 Cb 1.23 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.09 1uwx h ARG 100 CO 0.63 0.14 -0.79 0.71 -1.07 0.00 0.00 179.97 179.58 1uwx s TYR 100 N -3.17 1.83 -0.06 3.04 2.02 -1.26 -5.15 117.35 114.59 1uwx s TYR 100 Ca 0.02 -0.45 -0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1uwx s TYR 100 Cb 0.08 -0.93 0.04 0.00 -0.40 0.00 0.00 41.96 40.74 1uwx s TYR 100 CO 0.75 0.30 0.13 0.12 -1.57 0.00 0.00 175.55 175.29 1uwx s PHE 100 N -1.82 -0.14 0.13 2.71 5.99 -1.26 -4.59 117.98 119.01 1uwx s PHE 100 Ca 0.14 0.47 -0.25 0.00 0.00 0.00 0.00 56.93 57.28 1uwx s PHE 100 Cb -0.07 -0.16 0.07 0.00 0.00 0.00 0.00 43.02 42.86 1uwx s PHE 100 CO 0.06 -0.19 0.92 1.52 -0.00 0.00 0.00 175.22 177.54 1uwx s TYR 100 N 1.48 -0.18 -0.40 10.12 -0.85 -1.20 -5.03 117.35 121.29 1uwx s TYR 100 Ca -0.06 -0.10 -0.12 0.00 -0.52 0.00 0.00 57.07 56.27 1uwx s TYR 100 Cb -0.12 0.62 0.04 0.00 0.38 0.00 0.00 41.96 42.88 1uwx s TYR 100 CO -0.05 -0.80 0.25 -0.06 -1.52 0.00 0.00 175.55 173.36 1uwx s PHE 100 N -3.31 3.26 -0.21 -3.49 2.99 -1.26 -0.49 117.98 115.46 1uwx s PHE 100 Ca 0.11 -0.98 -0.16 0.00 0.00 0.00 0.00 56.93 55.90 1uwx s PHE 100 Cb -0.02 -2.61 -0.11 0.00 0.00 0.00 0.00 43.02 40.29 1uwx s PHE 100 CO 0.00 -0.68 -0.19 -0.40 -0.00 0.00 0.00 175.22 173.95 1uwx n ASP 101 N 5.04 1.90 -4.79 1.36 3.85 -1.09 -4.90 116.55 117.92 1uwx n ASP 101 Ca -0.11 0.41 -0.36 0.00 -0.71 0.00 0.00 54.79 54.01 1uwx n ASP 101 Cb 0.45 -0.85 -0.07 0.00 -1.35 0.00 0.00 41.12 39.31 1uwx n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1uwx s TYR 102 N -2.52 3.51 0.07 2.11 1.51 -1.26 -5.00 117.35 115.77 1uwx s TYR 102 Ca -0.30 0.48 0.10 0.00 -1.01 0.00 0.00 57.07 56.34 1uwx s TYR 102 Cb 0.08 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1uwx s TYR 102 CO 0.45 0.47 -0.26 -1.58 -1.11 0.00 0.00 175.55 173.52 1uwx s TRP 103 N -0.23 2.30 0.98 2.71 0.52 -1.26 -0.74 118.94 123.23 1uwx s TRP 103 Ca 0.13 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.71 1uwx s TRP 103 Cb -0.12 -1.34 0.18 0.00 -1.15 0.00 0.00 33.47 31.04 1uwx s TRP 103 CO 0.02 0.18 1.14 0.20 0.02 0.00 0.00 176.95 178.51 1uwx s GLY 104 N -1.46 1.59 0.00 0.98 0.00 0.04 -4.51 107.32 103.97 1uwx s GLY 104 Ca 0.12 -0.62 0.29 0.00 0.00 0.00 0.00 44.72 44.51 1uwx s GLY 104 CO 0.03 0.02 1.96 0.61 0.00 0.00 0.00 173.10 175.72 1uwx n GLN 105 N -4.02 0.29 0.00 2.90 0.00 -1.26 -4.81 117.38 110.48 1uwx n GLN 105 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.06 1uwx n GLN 105 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.33 1uwx n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1uwx n GLY 106 N 1.37 0.58 2.90 2.61 0.00 -1.26 -5.07 105.19 106.32 1uwx n GLY 106 Ca 0.11 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 1uwx n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uwx s THR 107 N -2.24 0.48 0.03 2.61 -1.32 0.36 -4.92 115.64 110.63 1uwx s THR 107 Ca 0.00 -0.13 -0.27 0.00 -1.21 0.00 0.00 61.69 60.08 1uwx s THR 107 Cb 0.00 -0.49 -0.05 0.00 -1.51 0.00 0.00 72.50 70.45 1uwx s THR 107 CO 0.00 0.20 0.86 -0.89 -2.21 0.00 0.00 174.62 172.57 1uwx s THR 108 N 0.69 4.77 -0.11 5.08 2.01 -1.26 -0.46 115.64 126.36 1uwx s THR 108 Ca -0.09 1.82 0.03 0.00 0.31 0.00 0.00 61.69 63.76 1uwx s THR 108 Cb -0.12 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.18 1uwx s THR 108 CO -0.00 0.28 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.76 1uwx s LEU 109 N 0.40 2.17 -0.08 4.42 0.20 -0.71 -0.57 118.68 124.50 1uwx s LEU 109 Ca 0.44 -0.54 0.03 0.00 0.69 0.00 0.00 54.13 54.75 1uwx s LEU 109 Cb -0.21 -1.44 0.01 0.00 -0.43 0.00 0.00 46.19 44.12 1uwx s LEU 109 CO 0.25 0.15 -0.17 -0.89 -0.29 0.00 0.00 176.35 175.40 1uwx s THR 110 N 0.40 1.55 -0.18 3.68 2.01 -0.30 -2.57 115.64 120.23 1uwx s THR 110 Ca -0.17 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 1uwx s THR 110 Cb -0.17 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1uwx s THR 110 CO 0.07 0.45 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.72 1uwx s VAL 111 N 0.56 3.64 -0.16 3.82 1.01 -1.26 -0.93 120.40 127.09 1uwx s VAL 111 Ca -0.16 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1uwx s VAL 111 Cb -0.17 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.69 1uwx s VAL 111 CO 0.05 0.46 0.84 -0.55 0.00 0.00 0.00 175.10 175.91 1uwx s SER 112 N 0.79 -0.56 0.22 3.32 0.15 -0.22 -4.87 113.70 112.52 1uwx s SER 112 Ca -0.02 0.79 0.25 0.00 0.70 0.00 0.00 55.95 57.68 1uwx s SER 112 Cb -0.15 0.71 0.64 0.00 -1.71 0.00 0.00 66.02 65.51 1uwx s SER 112 CO 0.02 -0.39 1.65 0.77 1.20 0.00 0.00 173.24 176.49 1uwx h SER 113 N 3.46 0.00 -4.18 5.45 4.64 -1.87 -3.28 113.55 117.77 1uwx h SER 113 Ca -0.25 -0.04 -0.52 0.00 -0.47 0.00 0.00 61.79 60.50 1uwx h SER 113 Cb 1.16 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.38 1uwx h SER 113 CO 0.25 0.02 0.39 0.00 -0.87 0.00 0.00 176.83 176.63 1uwx s ALA 114 N -3.13 2.29 0.44 5.18 0.00 -1.26 -5.01 121.76 120.27 1uwx s ALA 114 Ca 0.09 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.89 1uwx s ALA 114 Cb 0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1uwx s ALA 114 CO 0.64 -1.58 0.41 -1.59 0.00 0.00 0.00 175.76 173.64 1uwx s LYS 115 N -3.92 2.50 0.04 0.00 0.00 -1.26 -4.99 119.74 112.12 1uwx s LYS 115 Ca 0.72 -1.58 -0.37 0.00 0.00 0.00 0.00 55.97 54.73 1uwx s LYS 115 Cb -0.26 -2.38 -0.17 0.00 0.00 0.00 0.00 37.83 35.02 1uwx s LYS 115 CO 0.42 -0.28 1.36 2.41 0.00 0.00 0.00 175.35 179.26 1uwx n THR 116 N -1.63 0.03 -3.69 3.79 -1.04 -1.26 -4.69 114.28 105.80 1uwx n THR 116 Ca 0.04 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 1uwx n THR 116 Cb 0.62 -0.79 -0.14 0.00 -1.82 0.00 0.00 70.33 68.20 1uwx n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1uwx s THR 117 N 0.73 -0.25 0.61 12.58 2.01 -0.14 -4.95 115.64 126.23 1uwx s THR 117 Ca 0.86 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.98 1uwx s THR 117 Cb -0.99 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1uwx s THR 117 CO 0.49 0.12 1.08 0.00 -0.69 0.00 0.00 174.62 175.62 1uwx s ALA 118 N 2.02 2.66 0.38 7.40 0.00 -1.26 -1.92 121.76 131.04 1uwx s ALA 118 Ca -0.01 0.46 -0.24 0.00 0.00 0.00 0.00 51.96 52.16 1uwx s ALA 118 Cb -0.12 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1uwx s ALA 118 CO -0.07 -0.94 0.99 -1.25 0.00 0.00 0.00 175.76 174.49 1uwx s PRO 119 N -4.04 4.33 0.05 0.00 0.04 -1.26 -4.45 135.00 129.67 1uwx s PRO 119 Ca 0.65 1.35 -0.23 0.00 0.04 0.00 0.00 61.00 62.81 1uwx s PRO 119 Cb -0.18 -2.54 -0.06 0.00 0.04 0.00 0.00 34.50 31.76 1uwx s PRO 119 CO 0.38 0.03 0.69 -1.12 0.04 0.00 0.00 177.00 177.02 1uwx s SER 120 N -1.74 7.15 -0.30 6.66 0.01 -0.35 -4.94 113.70 120.19 1uwx s SER 120 Ca 0.56 1.37 -0.04 0.00 1.31 0.00 0.00 55.95 59.15 1uwx s SER 120 Cb -0.18 -2.43 0.03 0.00 0.21 0.00 0.00 66.02 63.66 1uwx s SER 120 CO 0.22 0.11 0.02 -0.69 0.41 0.00 0.00 173.24 173.32 1uwx s VAL 121 N -0.41 3.34 -0.08 3.43 1.01 -1.26 -0.92 120.40 125.51 1uwx s VAL 121 Ca 0.35 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1uwx s VAL 121 Cb -0.20 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1uwx s VAL 121 CO 0.21 -0.01 -0.03 -0.31 0.00 0.00 0.00 175.10 174.96 1uwx s TYR 122 N 1.35 3.05 0.33 5.22 2.02 0.19 -4.96 117.35 124.57 1uwx s TYR 122 Ca -0.02 0.11 -0.21 0.00 -0.37 0.00 0.00 57.07 56.58 1uwx s TYR 122 Cb -0.18 -1.75 -0.10 0.00 -0.40 0.00 0.00 41.96 39.53 1uwx s TYR 122 CO -0.00 0.40 0.86 -1.25 -1.57 0.00 0.00 175.55 173.99 1uwx s PRO 123 N -0.83 4.30 -0.28 -1.71 0.04 -1.26 -0.64 135.00 134.61 1uwx s PRO 123 Ca 0.13 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1uwx s PRO 123 Cb -0.11 -2.56 0.07 0.00 0.04 0.00 0.00 34.50 31.94 1uwx s PRO 123 CO 0.02 0.19 -0.06 -0.51 0.04 0.00 0.00 177.00 176.67 1uwx s LEU 124 N -2.55 3.75 0.05 -3.56 1.43 -0.52 -4.84 118.68 112.43 1uwx s LEU 124 Ca 0.53 -1.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1uwx s LEU 124 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1uwx s LEU 124 CO 0.19 -0.25 -0.17 0.00 0.23 0.00 0.00 176.35 176.35 1uwx s ALA 125 N 1.07 1.44 0.53 4.21 0.00 -1.26 -2.13 121.76 125.62 1uwx s ALA 125 Ca -0.03 -0.95 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1uwx s ALA 125 Cb -0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1uwx s ALA 125 CO -0.06 0.29 1.30 -1.25 0.00 0.00 0.00 175.76 176.04 1uwx s PRO 126 N -1.24 3.24 -0.45 0.00 0.04 -1.26 -4.95 135.00 130.38 1uwx s PRO 126 Ca 0.04 2.10 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1uwx s PRO 126 Cb -0.08 -2.25 0.31 0.00 0.04 0.00 0.00 34.50 32.52 1uwx s PRO 126 CO 0.02 -1.07 1.01 1.55 0.04 0.00 0.00 177.00 178.55 1uwx n VAL 127 N -0.99 -0.05 -0.55 -0.36 3.14 -1.26 -4.27 118.33 114.00 1uwx n VAL 127 Ca 0.10 -2.07 0.44 0.00 -2.96 0.00 0.00 64.34 59.86 1uwx n VAL 127 Cb 0.46 1.12 0.68 0.00 -1.06 0.00 0.00 33.84 35.04 1uwx n VAL 127 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1uwx n SER 134 N 0.53 0.00 -4.41 6.55 3.41 -1.26 -4.99 113.62 113.45 1uwx n SER 134 Ca 0.10 0.88 -0.21 0.00 -0.26 0.00 0.00 58.87 59.38 1uwx n SER 134 Cb 0.68 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 1uwx n SER 134 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uwx s SER 135 N -3.75 3.00 -0.02 4.04 0.01 -1.26 -1.02 113.70 114.70 1uwx s SER 135 Ca -0.04 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.19 1uwx s SER 135 Cb 0.22 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.24 1uwx s SER 135 CO 0.74 -0.13 -0.09 0.54 0.41 0.00 0.00 173.24 174.71 1uwx s VAL 136 N -2.81 0.75 -0.14 3.43 0.11 -0.25 -4.76 120.40 116.74 1uwx s VAL 136 Ca 0.27 -0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1uwx s VAL 136 Cb -0.01 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1uwx s VAL 136 CO 0.11 0.23 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.15 1uwx s THR 137 N 0.06 3.64 0.44 5.04 2.01 -1.26 -1.40 115.64 124.17 1uwx s THR 137 Ca -0.01 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1uwx s THR 137 Cb -0.07 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1uwx s THR 137 CO 0.00 0.51 0.03 -0.76 -0.69 0.00 0.00 174.62 173.70 1uwx s LEU 138 N 0.31 2.44 0.16 4.42 1.43 0.39 -4.58 118.68 123.26 1uwx s LEU 138 Ca -0.06 -1.53 -0.24 0.00 -1.03 0.00 0.00 54.13 51.27 1uwx s LEU 138 Cb -0.15 -0.67 0.07 0.00 0.03 0.00 0.00 46.19 45.47 1uwx s LEU 138 CO 0.04 -0.70 0.98 -0.83 0.23 0.00 0.00 176.35 176.07 1uwx s GLY 139 N -3.74 -0.15 -0.01 -3.19 0.00 -0.90 -0.16 107.32 99.16 1uwx s GLY 139 Ca 0.21 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.98 1uwx s GLY 139 CO 0.11 0.44 -0.08 0.00 0.00 0.00 0.00 173.10 173.57 1uwx s LEU 141 N -0.09 3.32 -0.40 0.00 0.20 0.18 -2.12 118.68 119.76 1uwx s LEU 141 Ca 0.02 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.68 1uwx s LEU 141 Cb -0.04 -1.85 0.11 0.00 -0.43 0.00 0.00 46.19 43.98 1uwx s LEU 141 CO -0.00 0.06 0.14 -0.69 -0.29 0.00 0.00 176.35 175.57 1uwx s VAL 142 N 1.03 2.56 0.19 1.68 1.01 0.37 -0.64 120.40 126.59 1uwx s VAL 142 Ca 0.02 -2.56 0.07 0.00 0.00 0.00 0.00 61.98 59.51 1uwx s VAL 142 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1uwx s VAL 142 CO 0.02 -0.67 0.02 -0.54 0.00 0.00 0.00 175.10 173.93 1uwx s LYS 143 N 0.61 2.47 -0.57 2.72 1.02 -0.09 -1.41 119.74 124.48 1uwx s LYS 143 Ca 0.12 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1uwx s LYS 143 Cb -0.21 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1uwx s LYS 143 CO -0.05 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1uwx n GLY 144 N -0.26 0.70 3.88 -3.33 0.00 -0.72 -1.21 105.19 104.24 1uwx n GLY 144 Ca -0.09 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 1uwx n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uwx s TYR 145 N -2.22 3.20 -0.26 1.61 1.13 -1.21 -4.71 117.35 114.89 1uwx s TYR 145 Ca 0.00 -0.11 -0.24 0.00 -1.41 0.00 0.00 57.07 55.32 1uwx s TYR 145 Cb 0.00 -1.52 0.07 0.00 -1.10 0.00 0.00 41.96 39.40 1uwx s TYR 145 CO 0.00 0.43 0.69 0.12 -2.51 0.00 0.00 175.55 174.29 1uwx s PHE 146 N -2.10 -0.77 0.16 -3.49 2.19 -0.81 -0.85 117.98 112.30 1uwx s PHE 146 Ca 0.35 1.87 0.01 0.00 0.33 0.00 0.00 56.93 59.48 1uwx s PHE 146 Cb -0.08 0.28 0.03 0.00 -1.31 0.00 0.00 43.02 41.93 1uwx s PHE 146 CO 0.27 -0.37 0.21 -0.35 1.83 0.00 0.00 175.22 176.81 1uwx n PRO 147 N 2.78 0.67 -1.42 10.12 -0.04 -1.26 -0.97 135.00 144.88 1uwx n PRO 147 Ca -0.14 -0.69 -0.32 0.00 -0.04 0.00 0.00 63.50 62.31 1uwx n PRO 147 Cb 0.55 -0.11 0.08 0.00 -0.04 0.00 0.00 33.50 33.98 1uwx n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uwx s GLU 148 N -2.83 2.39 0.34 0.54 0.41 -1.26 -4.67 118.70 113.62 1uwx s GLU 148 Ca 0.15 1.28 0.04 0.00 -0.41 0.00 0.00 54.97 56.03 1uwx s GLU 148 Cb -0.01 -1.91 -0.01 0.00 -1.78 0.00 0.00 34.13 30.42 1uwx s GLU 148 CO 0.10 -1.55 0.50 -1.25 -0.49 0.00 0.00 175.26 172.57 1uwx s PRO 149 N -4.58 3.19 0.10 0.39 0.04 -1.26 -4.97 135.00 127.92 1uwx s PRO 149 Ca 0.64 -0.80 0.06 0.00 0.04 0.00 0.00 61.00 60.94 1uwx s PRO 149 Cb -0.19 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1uwx s PRO 149 CO 0.51 0.06 -0.04 0.14 0.04 0.00 0.00 177.00 177.71 1uwx s VAL 150 N -2.23 3.72 -0.02 -0.36 -7.23 -1.26 -4.33 120.40 108.69 1uwx s VAL 150 Ca 0.43 -1.15 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 1uwx s VAL 150 Cb -0.10 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1uwx s VAL 150 CO 0.33 0.09 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.22 1uwx s THR 151 N -1.32 3.47 -0.06 5.32 2.01 0.49 -4.96 115.64 120.60 1uwx s THR 151 Ca 0.24 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 1uwx s THR 151 Cb -0.11 -2.45 0.04 0.00 0.01 0.00 0.00 72.50 69.99 1uwx s THR 151 CO 0.17 0.49 0.13 -0.22 -0.69 0.00 0.00 174.62 174.50 1uwx s LEU 152 N -1.11 0.63 0.37 4.42 0.20 -1.25 -0.50 118.68 121.44 1uwx s LEU 152 Ca 0.14 0.27 0.04 0.00 0.69 0.00 0.00 54.13 55.28 1uwx s LEU 152 Cb -0.11 0.29 -0.06 0.00 -0.43 0.00 0.00 46.19 45.88 1uwx s LEU 152 CO 0.04 -0.16 0.05 0.42 -0.29 0.00 0.00 176.35 176.41 1uwx s THR 153 N 1.35 1.27 -0.08 3.68 -4.23 -0.61 -4.96 115.64 112.06 1uwx s THR 153 Ca -0.07 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.48 1uwx s THR 153 Cb -0.12 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1uwx s THR 153 CO -0.06 0.00 -0.22 0.26 -0.54 0.00 0.00 174.62 174.06 1uwx s TRP 154 N -3.13 2.56 -1.65 3.99 0.52 -1.26 0.03 118.94 119.99 1uwx s TRP 154 Ca 0.32 -0.77 -0.14 0.00 0.02 0.00 0.00 56.10 55.53 1uwx s TRP 154 Cb 0.08 -1.67 0.12 0.00 -1.15 0.00 0.00 33.47 30.84 1uwx s TRP 154 CO 0.15 -0.25 0.61 0.09 0.02 0.00 0.00 176.95 177.57 1uwx n ASN 155 N 3.17 -2.09 -2.06 2.95 3.02 -0.09 -1.22 115.26 118.93 1uwx n ASN 155 Ca -0.18 -1.07 -0.17 0.00 -0.03 0.00 0.00 54.58 53.13 1uwx n ASN 155 Cb 0.52 -2.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.14 1uwx n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1uwx n SER 156 N -2.72 -5.06 0.00 6.41 7.64 -1.26 -2.34 113.62 116.28 1uwx n SER 156 Ca -0.04 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1uwx n SER 156 Cb 0.55 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1uwx n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwx n GLY 157 N -1.10 1.05 0.16 0.23 0.00 -0.36 -4.92 105.19 100.25 1uwx n GLY 157 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1uwx n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uwx h SER 158 N 0.00 0.00 -3.08 1.61 4.64 -1.43 -3.38 113.55 111.91 1uwx h SER 158 Ca 0.00 -0.01 -0.76 0.00 -0.47 0.00 0.00 61.79 60.56 1uwx h SER 158 Cb 0.00 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.85 1uwx h SER 158 CO 0.00 0.00 -0.21 -0.76 -0.87 0.00 0.00 176.83 175.00 1uwx s LEU 159 N -5.32 6.15 -0.03 5.97 1.43 -1.01 -4.88 118.68 120.99 1uwx s LEU 159 Ca 0.09 -1.77 0.03 0.00 -1.03 0.00 0.00 54.13 51.45 1uwx s LEU 159 Cb 0.09 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1uwx s LEU 159 CO 0.64 -0.87 0.03 -1.54 0.23 0.00 0.00 176.35 174.83 1uwx n SER 160 N 5.30 4.21 -4.79 2.29 3.41 -1.26 -4.26 113.62 118.52 1uwx n SER 160 Ca -0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.13 1uwx n SER 160 Cb 0.40 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 1uwx n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uwx s SER 161 N -3.17 6.12 -0.29 4.04 0.01 -1.26 -3.78 113.70 115.36 1uwx s SER 161 Ca -0.02 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.26 1uwx s SER 161 Cb 0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1uwx s SER 161 CO 0.13 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1uwx n GLY 162 N -0.11 0.58 3.69 3.44 0.00 -1.26 -4.76 105.19 106.77 1uwx n GLY 162 Ca 0.10 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1uwx n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwx s VAL 163 N -1.96 4.78 -0.21 1.61 1.01 -1.25 -1.33 120.40 123.05 1uwx s VAL 163 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1uwx s VAL 163 Cb 0.00 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 33.33 1uwx s VAL 163 CO 0.00 0.53 -0.04 -1.00 0.00 0.00 0.00 175.10 174.59 1uwx s HIS 164 N -0.25 2.02 -0.29 5.22 3.76 -0.09 -4.99 115.29 120.67 1uwx s HIS 164 Ca 0.08 -1.46 -0.08 0.00 -0.15 0.00 0.00 55.06 53.45 1uwx s HIS 164 Cb -0.12 -1.44 -0.01 0.00 1.11 0.00 0.00 32.58 32.12 1uwx s HIS 164 CO 0.02 -0.71 0.11 0.99 -0.85 0.00 0.00 174.74 174.29 1uwx s THR 165 N 1.52 4.34 0.21 1.30 2.01 -1.26 -0.82 115.64 122.93 1uwx s THR 165 Ca -0.03 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 1uwx s THR 165 Cb -0.18 -3.16 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 1uwx s THR 165 CO -0.07 0.16 0.61 -0.36 -0.69 0.00 0.00 174.62 174.28 1uwx s PHE 166 N 1.59 3.54 0.40 4.92 0.40 0.10 -5.00 117.98 123.93 1uwx s PHE 166 Ca 0.05 1.12 -0.26 0.00 -0.60 0.00 0.00 56.93 57.23 1uwx s PHE 166 Cb -0.16 -2.43 -0.11 0.00 0.51 0.00 0.00 43.02 40.84 1uwx s PHE 166 CO 0.04 0.33 1.25 -2.30 0.70 0.00 0.00 175.22 175.24 1uwx n PRO 167 N 0.42 1.91 -2.17 0.24 -0.02 -1.26 -4.33 135.00 129.79 1uwx n PRO 167 Ca -0.02 0.68 -0.40 0.00 -2.02 0.00 0.00 63.50 61.74 1uwx n PRO 167 Cb 0.52 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1uwx n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uwx s ALA 168 N -1.18 3.34 -0.05 3.55 0.00 -1.26 -4.85 121.76 121.31 1uwx s ALA 168 Ca 0.60 1.15 0.06 0.00 0.00 0.00 0.00 51.96 53.77 1uwx s ALA 168 Cb -0.53 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.13 1uwx s ALA 168 CO 0.59 -0.63 -0.22 0.14 0.00 0.00 0.00 175.76 175.64 1uwx s VAL 169 N -1.24 1.80 -0.17 0.00 -7.23 -0.70 -4.95 120.40 107.90 1uwx s VAL 169 Ca 0.53 -0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 59.51 1uwx s VAL 169 Cb -0.36 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1uwx s VAL 169 CO 0.47 0.51 0.84 -0.22 -0.31 0.00 0.00 175.10 176.39 1uwx s LEU 170 N -0.17 4.17 0.00 1.32 2.96 -1.26 -1.97 118.68 123.72 1uwx s LEU 170 Ca -0.01 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 1uwx s LEU 170 Cb -0.12 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1uwx s LEU 170 CO 0.02 -0.41 0.00 0.00 -1.32 0.00 0.00 176.35 174.64 1uwx n GLN 171 N 5.31 0.00 -3.62 1.98 10.64 -0.35 -4.88 117.38 126.45 1uwx n GLN 171 Ca 0.05 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.93 1uwx n GLN 171 Cb 0.49 -0.16 -0.12 0.00 -0.86 0.00 0.00 30.24 29.59 1uwx n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1uwx s SER 172 N -2.39 3.13 0.00 2.61 1.04 -1.26 -4.85 113.70 111.98 1uwx s SER 172 Ca 0.00 -2.98 0.00 0.00 0.48 0.00 0.00 55.95 53.45 1uwx s SER 172 Cb 0.00 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.21 1uwx s SER 172 CO 0.00 -0.20 0.00 0.47 0.98 0.00 0.00 173.24 174.49 1uwx n ASP 173 N 3.04 0.00 -4.32 7.02 8.00 -1.26 -4.99 116.55 124.04 1uwx n ASP 173 Ca 0.18 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.50 1uwx n ASP 173 Cb 0.39 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 1uwx n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1uwx s LEU 174 N 0.00 2.54 0.19 0.64 1.43 -1.26 -4.50 118.68 117.72 1uwx s LEU 174 Ca 0.00 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1uwx s LEU 174 Cb 0.00 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1uwx s LEU 174 CO 0.00 -0.19 0.36 -0.31 0.23 0.00 0.00 176.35 176.44 1uwx s TYR 175 N -2.97 3.48 -0.02 0.29 1.51 -0.03 -1.21 117.35 118.41 1uwx s TYR 175 Ca 0.20 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.56 1uwx s TYR 175 Cb -0.00 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1uwx s TYR 175 CO 0.05 0.41 -0.03 0.99 -1.11 0.00 0.00 175.55 175.87 1uwx s THR 176 N -1.84 0.32 0.05 -0.71 2.01 -0.83 -1.76 115.64 112.88 1uwx s THR 176 Ca 0.37 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1uwx s THR 176 Cb -0.11 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 1uwx s THR 176 CO 0.29 0.14 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.83 1uwx s LEU 177 N 0.50 2.37 0.11 4.42 0.05 -0.50 -1.73 118.68 123.90 1uwx s LEU 177 Ca -0.05 -0.75 -0.03 0.00 0.05 0.00 0.00 54.13 53.34 1uwx s LEU 177 Cb -0.09 0.03 -0.03 0.00 -2.05 0.00 0.00 46.19 44.05 1uwx s LEU 177 CO -0.01 -0.39 0.09 -0.94 -0.55 0.00 0.00 176.35 174.55 1uwx s SER 178 N -2.22 0.28 -0.16 1.48 1.04 -1.26 -0.48 113.70 112.38 1uwx s SER 178 Ca -0.03 -1.03 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 1uwx s SER 178 Cb -0.02 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.45 1uwx s SER 178 CO -0.04 -0.73 0.41 -0.55 0.98 0.00 0.00 173.24 173.31 1uwx s SER 179 N -2.98 -0.47 0.11 7.02 0.15 -0.90 -0.73 113.70 115.91 1uwx s SER 179 Ca 0.16 0.85 0.06 0.00 0.70 0.00 0.00 55.95 57.72 1uwx s SER 179 Cb 0.06 0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 1uwx s SER 179 CO -0.03 -0.17 -0.05 -0.94 1.20 0.00 0.00 173.24 173.25 1uwx s SER 180 N 0.82 4.68 -0.01 5.45 1.04 -0.00 -1.51 113.70 124.16 1uwx s SER 180 Ca -0.05 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.10 1uwx s SER 180 Cb -0.06 -1.00 -0.00 0.00 0.10 0.00 0.00 66.02 65.06 1uwx s SER 180 CO -0.06 0.17 -0.09 0.54 0.98 0.00 0.00 173.24 174.78 1uwx s VAL 181 N -1.31 0.69 -0.16 5.02 0.11 0.77 -0.92 120.40 124.61 1uwx s VAL 181 Ca 0.24 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1uwx s VAL 181 Cb -0.11 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1uwx s VAL 181 CO 0.16 0.20 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.06 1uwx s THR 182 N -0.12 2.34 0.23 5.04 2.01 -0.44 -0.46 115.64 124.24 1uwx s THR 182 Ca 0.02 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.20 1uwx s THR 182 Cb -0.04 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1uwx s THR 182 CO -0.00 0.53 -0.05 0.68 -0.69 0.00 0.00 174.62 175.08 1uwx s VAL 183 N 1.02 1.31 0.56 3.82 -7.23 -0.49 -4.68 120.40 114.70 1uwx s VAL 183 Ca -0.02 -2.09 -0.21 0.00 -1.81 0.00 0.00 61.98 57.86 1uwx s VAL 183 Cb -0.15 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1uwx s VAL 183 CO -0.05 -0.42 1.32 0.42 -0.31 0.00 0.00 175.10 176.06 1uwx s THR 184 N -3.24 2.21 0.18 5.32 -4.23 -1.26 -1.09 115.64 113.54 1uwx s THR 184 Ca 0.26 0.15 0.35 0.00 -1.18 0.00 0.00 61.69 61.27 1uwx s THR 184 Cb 0.04 -3.07 0.38 0.00 1.34 0.00 0.00 72.50 71.19 1uwx s THR 184 CO 0.08 -0.01 2.05 0.77 -0.54 0.00 0.00 174.62 176.97 1uwx h SER 185 N 1.34 0.00 1.11 3.99 4.64 -1.37 -0.04 113.55 123.22 1uwx h SER 185 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1uwx h SER 185 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1uwx h SER 185 CO 0.57 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 1uwx n SER 186 N -2.95 0.26 0.20 4.97 3.41 -1.26 -4.12 113.62 114.12 1uwx n SER 186 Ca -0.00 0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 1uwx n SER 186 Cb 0.22 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.53 1uwx n SER 186 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1uwx h THR 187 N 0.00 0.00 -3.67 6.66 2.02 -1.35 -3.43 112.91 113.14 1uwx h THR 187 Ca 0.00 -0.58 -0.68 0.00 0.77 0.00 0.00 66.41 65.93 1uwx h THR 187 Cb 0.56 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.79 1uwx h THR 187 CO 0.00 0.00 -0.71 0.86 0.37 0.00 0.00 175.52 176.04 1uwx s TRP 188 N -3.43 2.87 -1.77 3.16 -0.00 -1.25 -0.71 118.94 117.81 1uwx s TRP 188 Ca -0.08 -0.04 0.14 0.00 -0.00 0.00 0.00 56.10 56.11 1uwx s TRP 188 Cb 0.01 -1.63 0.43 0.00 -0.00 0.00 0.00 33.47 32.29 1uwx s TRP 188 CO 0.25 0.34 1.34 -0.35 -0.00 0.00 0.00 176.95 178.54 1uwx n PRO 189 N 1.76 2.31 -0.30 5.86 -0.04 -1.26 -4.84 135.00 138.50 1uwx n PRO 189 Ca -0.16 -1.75 0.09 0.00 -0.04 0.00 0.00 63.50 61.64 1uwx n PRO 189 Cb 0.53 -1.46 0.25 0.00 -0.04 0.00 0.00 33.50 32.77 1uwx n PRO 189 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1uwx h SER 190 N 2.74 0.44 -3.54 3.54 0.02 -1.80 -3.39 113.55 111.57 1uwx h SER 190 Ca 0.00 0.11 -0.67 0.00 -0.84 0.00 0.00 61.79 60.39 1uwx h SER 190 Cb 0.76 0.06 -0.16 0.00 0.14 0.00 0.00 62.40 63.20 1uwx h SER 190 CO 0.05 0.14 -0.69 -1.10 -1.14 0.00 0.00 176.83 174.09 1uwx s GLN 191 N -5.94 2.60 0.52 3.45 -0.21 0.11 -5.10 119.66 115.09 1uwx s GLN 191 Ca -0.12 -0.70 -0.19 0.00 0.02 0.00 0.00 55.36 54.37 1uwx s GLN 191 Cb 0.23 -2.54 -0.07 0.00 1.00 0.00 0.00 33.01 31.63 1uwx s GLN 191 CO 0.78 0.60 1.05 -1.54 -2.12 0.00 0.00 175.29 174.06 1uwx s SER 192 N -1.48 6.15 -0.07 5.90 1.04 -1.26 -4.47 113.70 119.50 1uwx s SER 192 Ca 0.18 1.90 0.01 0.00 0.48 0.00 0.00 55.95 58.52 1uwx s SER 192 Cb -0.11 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.47 1uwx s SER 192 CO 0.08 -0.92 -0.09 -0.63 0.98 0.00 0.00 173.24 172.67 1uwx s ILE 193 N -2.13 0.95 -0.02 -1.02 1.01 -1.26 -5.02 121.20 113.70 1uwx s ILE 193 Ca 0.66 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1uwx s ILE 193 Cb -0.16 -0.92 -0.00 0.00 0.01 0.00 0.00 42.46 41.38 1uwx s ILE 193 CO 0.26 0.33 -0.13 -0.89 0.00 0.00 0.00 174.94 174.51 1uwx s THR 194 N 1.01 1.05 -0.14 2.92 2.01 -1.26 -1.24 115.64 119.98 1uwx s THR 194 Ca -0.09 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 1uwx s THR 194 Cb -0.15 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1uwx s THR 194 CO -0.00 0.31 0.10 0.00 -0.69 0.00 0.00 174.62 174.34 1uwx s ASN 196 N -0.50 4.78 -0.15 0.00 0.01 0.10 -1.35 114.94 117.83 1uwx s ASN 196 Ca 0.11 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 51.87 1uwx s ASN 196 Cb -0.12 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.71 1uwx s ASN 196 CO 0.02 -0.07 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.66 1uwx s VAL 197 N 1.53 2.29 -0.02 1.60 1.01 -0.48 -1.58 120.40 124.75 1uwx s VAL 197 Ca 0.05 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.21 1uwx s VAL 197 Cb -0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1uwx s VAL 197 CO 0.00 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.41 1uwx s ALA 198 N 0.89 2.31 -0.39 5.51 0.00 0.35 -1.21 121.76 129.21 1uwx s ALA 198 Ca -0.05 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1uwx s ALA 198 Cb -0.15 -0.66 0.15 0.00 0.00 0.00 0.00 23.12 22.46 1uwx s ALA 198 CO -0.03 0.54 0.27 -1.58 0.00 0.00 0.00 175.76 174.96 1uwx s HIS 199 N -0.66 1.05 0.42 0.00 2.46 -0.39 -0.38 115.29 117.79 1uwx s HIS 199 Ca 0.11 -2.02 0.18 0.00 0.47 0.00 0.00 55.06 53.79 1uwx s HIS 199 Cb -0.10 -1.04 1.09 0.00 -0.13 0.00 0.00 32.58 32.39 1uwx s HIS 199 CO -0.00 -0.82 1.84 -1.35 -2.47 0.00 0.00 174.74 171.94 1uwx h PRO 200 N 6.39 0.39 0.00 2.88 0.11 -1.79 -2.08 132.00 137.90 1uwx h PRO 200 Ca 0.14 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1uwx h PRO 200 Cb 0.94 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1uwx h PRO 200 CO 0.34 0.26 -0.12 0.00 -0.21 0.00 0.00 178.00 178.27 1uwx h ALA 201 N 1.61 1.34 -0.44 -0.75 0.00 -1.91 -1.93 119.26 117.18 1uwx h ALA 201 Ca 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1uwx h ALA 201 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1uwx h ALA 201 CO -0.19 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 1uwx n SER 202 N -3.72 3.18 -4.23 0.00 3.41 -0.86 -4.97 113.62 106.43 1uwx n SER 202 Ca -0.02 -2.00 -0.35 0.00 -0.26 0.00 0.00 58.87 56.24 1uwx n SER 202 Cb 0.23 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 1uwx n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uwx n SER 203 N 0.79 -2.35 -4.75 4.04 7.64 -0.73 -4.95 113.62 113.31 1uwx n SER 203 Ca 0.15 -1.06 -0.38 0.00 1.01 0.00 0.00 58.87 58.59 1uwx n SER 203 Cb 0.47 -2.58 -0.06 0.00 -1.01 0.00 0.00 64.21 61.03 1uwx n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1uwx s THR 204 N -3.47 5.10 -0.19 0.44 2.01 -0.84 -4.99 115.64 113.71 1uwx s THR 204 Ca 0.58 1.01 -0.05 0.00 0.31 0.00 0.00 61.69 63.54 1uwx s THR 204 Cb -0.32 -3.83 0.07 0.00 0.01 0.00 0.00 72.50 68.43 1uwx s THR 204 CO 0.94 0.38 0.12 -0.75 -0.69 0.00 0.00 174.62 174.62 1uwx s LYS 205 N 0.20 0.10 0.14 4.92 2.20 -1.26 -1.27 119.74 124.78 1uwx s LYS 205 Ca 0.27 -0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.85 1uwx s LYS 205 Cb -0.16 -1.63 -0.04 0.00 -1.51 0.00 0.00 37.83 34.50 1uwx s LYS 205 CO 0.12 -0.72 -0.14 0.14 -0.36 0.00 0.00 175.35 174.39 1uwx s VAL 206 N 2.17 1.41 -0.10 4.02 -7.23 -0.35 -5.00 120.40 115.32 1uwx s VAL 206 Ca 0.04 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1uwx s VAL 206 Cb -0.16 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1uwx s VAL 206 CO -0.13 -0.44 -0.19 -1.81 -0.31 0.00 0.00 175.10 172.22 1uwx s ASP 207 N -2.60 3.55 -0.25 4.85 1.01 -1.26 -1.38 116.67 120.59 1uwx s ASP 207 Ca 0.11 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 52.98 1uwx s ASP 207 Cb -0.04 -1.30 0.06 0.00 1.01 0.00 0.00 42.92 42.65 1uwx s ASP 207 CO 0.04 0.20 -0.09 -0.75 0.21 0.00 0.00 175.17 174.78 1uwx s LYS 208 N 0.11 1.99 0.15 8.23 2.47 -0.46 -4.98 119.74 127.24 1uwx s LYS 208 Ca -0.09 -1.19 -0.30 0.00 -1.56 0.00 0.00 55.97 52.83 1uwx s LYS 208 Cb -0.15 -2.76 -0.07 0.00 -1.46 0.00 0.00 37.83 33.38 1uwx s LYS 208 CO 0.06 -0.58 1.16 0.21 0.16 0.00 0.00 175.35 176.36 1uwx s LYS 209 N 1.23 4.51 -0.52 4.03 2.20 -1.26 -1.96 119.74 127.97 1uwx s LYS 209 Ca -0.08 1.79 -0.18 0.00 -0.36 0.00 0.00 55.97 57.14 1uwx s LYS 209 Cb -0.19 -3.28 0.07 0.00 -1.51 0.00 0.00 37.83 32.91 1uwx s LYS 209 CO -0.06 -0.07 0.59 0.42 -0.36 0.00 0.00 175.35 175.88 1uwx s ILE 210 N 0.18 4.94 0.16 5.43 -1.09 -0.37 -4.99 121.20 125.45 1uwx s ILE 210 Ca 0.53 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1uwx s ILE 210 Cb -0.30 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.22 1uwx s ILE 210 CO 0.34 -0.83 0.36 -1.61 -1.23 0.00 0.00 174.94 171.97 1uwx s GLU 211 N 2.42 3.54 0.55 2.79 2.02 -1.26 -4.58 118.70 124.18 1uwx s GLU 211 Ca 0.12 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 54.65 1uwx s GLU 211 Cb -0.22 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 1uwx s GLU 211 CO 0.09 0.46 1.06 -1.25 0.02 0.00 0.00 175.26 175.64 1uwx s PRO 212 N -2.98 3.46 -0.15 0.39 0.04 -1.26 -4.88 135.00 129.63 1uwx s PRO 212 Ca 0.39 1.30 0.17 0.00 0.04 0.00 0.00 61.00 62.89 1uwx s PRO 212 Cb -0.12 -2.05 0.32 0.00 0.04 0.00 0.00 34.50 32.70 1uwx s PRO 212 CO 0.27 -0.70 1.17 2.89 0.04 0.00 0.00 177.00 180.67 1uwx n ARG 213 N -1.62 1.34 -3.45 4.56 1.85 -1.26 -5.07 116.66 113.02 1uwx n ARG 213 Ca 0.09 -2.75 0.00 0.00 -1.00 0.00 0.00 57.85 54.19 1uwx n ARG 213 Cb 0.53 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1uwx n ARG 213 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1uwx n GLY 214 N -1.32 -1.71 0.00 2.89 0.00 -1.26 -4.95 105.19 98.83 1uwx n GLY 214 Ca 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1uwx n GLY 214 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27