#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiw s VAL 2 N 0.00 4.38 0.03 3.84 1.01 -1.26 -3.52 120.40 124.89 1xiw s VAL 2 Ca 0.00 1.57 -0.09 0.00 0.00 0.00 0.00 61.98 63.46 1xiw s VAL 2 Cb 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1xiw s VAL 2 CO 0.00 -0.53 0.19 -1.10 0.00 0.00 0.00 175.10 173.66 1xiw s GLN 3 N 3.86 0.67 -0.22 2.72 -0.21 -0.52 -5.00 119.66 120.96 1xiw s GLN 3 Ca 0.49 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 55.29 1xiw s GLN 3 Cb -0.13 0.28 0.05 0.00 1.00 0.00 0.00 33.01 34.21 1xiw s GLN 3 CO 0.19 -0.19 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.55 1xiw s LEU 4 N -1.98 2.70 -0.30 2.90 1.43 -1.26 -1.11 118.68 121.06 1xiw s LEU 4 Ca -0.06 -1.07 -0.08 0.00 -1.03 0.00 0.00 54.13 51.88 1xiw s LEU 4 Cb -0.02 -1.37 -0.00 0.00 0.03 0.00 0.00 46.19 44.83 1xiw s LEU 4 CO -0.03 -0.15 0.12 -1.58 0.23 0.00 0.00 176.35 174.94 1xiw s GLN 5 N 1.28 3.29 0.35 1.70 2.00 0.17 -3.85 119.66 124.59 1xiw s GLN 5 Ca -0.04 -0.74 0.00 0.00 -2.00 0.00 0.00 55.36 52.59 1xiw s GLN 5 Cb -0.17 -3.48 -0.03 0.00 0.80 0.00 0.00 33.01 30.12 1xiw s GLN 5 CO -0.07 -0.40 0.55 -0.65 -0.50 0.00 0.00 175.29 174.21 1xiw s GLN 6 N 1.58 3.49 0.90 1.67 -0.21 -1.26 -0.43 119.66 125.40 1xiw s GLN 6 Ca 0.04 -0.33 -0.12 0.00 0.02 0.00 0.00 55.36 54.97 1xiw s GLN 6 Cb -0.17 -2.66 0.13 0.00 1.00 0.00 0.00 33.01 31.31 1xiw s GLN 6 CO 0.05 0.15 1.10 -1.54 -2.12 0.00 0.00 175.29 172.92 1xiw s SER 7 N -4.04 3.46 1.07 5.90 1.04 -0.77 -4.97 113.70 115.40 1xiw s SER 7 Ca 0.40 1.38 -0.16 0.00 0.48 0.00 0.00 55.95 58.05 1xiw s SER 7 Cb -0.10 -2.06 0.23 0.00 0.10 0.00 0.00 66.02 64.19 1xiw s SER 7 CO 0.36 -2.63 1.13 -0.83 0.98 0.00 0.00 173.24 172.25 1xiw s GLY 8 N -3.53 1.59 0.68 7.32 0.00 -1.26 -4.66 107.32 107.46 1xiw s GLY 8 Ca 0.63 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 44.46 1xiw s GLY 8 CO 0.56 0.02 1.26 2.56 0.00 0.00 0.00 173.10 177.50 1xiw s PRO 9 N -5.28 2.41 0.03 2.90 0.04 -1.26 -4.72 135.00 129.12 1xiw s PRO 9 Ca 0.68 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.71 1xiw s PRO 9 Cb -0.13 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1xiw s PRO 9 CO 0.56 -1.67 -0.12 -1.21 0.04 0.00 0.00 177.00 174.60 1xiw s GLU 10 N -3.56 0.80 -0.10 4.56 0.41 -0.19 -4.98 118.70 115.63 1xiw s GLU 10 Ca 0.79 -0.64 0.03 0.00 -0.41 0.00 0.00 54.97 54.75 1xiw s GLU 10 Cb -0.34 -0.76 0.01 0.00 -1.78 0.00 0.00 34.13 31.25 1xiw s GLU 10 CO 0.41 0.19 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.66 1xiw s LEU 11 N -0.97 1.96 0.03 1.80 1.43 -1.26 -1.17 118.68 120.50 1xiw s LEU 11 Ca 0.00 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 1xiw s LEU 11 Cb -0.07 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1xiw s LEU 11 CO 0.01 0.10 0.18 0.68 0.23 0.00 0.00 176.35 177.55 1xiw s VAL 12 N 0.56 0.11 0.31 -1.59 -7.23 -0.08 -4.98 120.40 107.50 1xiw s VAL 12 Ca -0.15 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.04 1xiw s VAL 12 Cb -0.17 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 35.85 1xiw s VAL 12 CO 0.05 -0.49 0.65 -0.54 -0.31 0.00 0.00 175.10 174.46 1xiw s LYS 13 N -2.41 3.81 0.64 4.82 1.02 -1.26 -1.71 119.74 124.65 1xiw s LYS 13 Ca -0.06 0.37 -0.17 0.00 0.02 0.00 0.00 55.97 56.12 1xiw s LYS 13 Cb -0.02 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1xiw s LYS 13 CO -0.03 0.17 0.71 -2.30 -0.92 0.00 0.00 175.35 172.98 1xiw n PRO 14 N -0.62 0.57 0.00 -1.68 -0.02 -1.26 -2.86 135.00 129.12 1xiw n PRO 14 Ca 0.01 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1xiw n PRO 14 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1xiw n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xiw n GLY 15 N 1.53 2.64 3.96 -1.23 0.00 0.29 -4.91 105.19 107.46 1xiw n GLY 15 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1xiw n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xiw s ALA 16 N -2.12 3.19 0.26 4.61 0.00 -1.14 -4.39 121.76 122.18 1xiw s ALA 16 Ca 0.00 -1.30 0.12 0.00 0.00 0.00 0.00 51.96 50.78 1xiw s ALA 16 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 1xiw s ALA 16 CO 0.00 -1.57 -0.20 -1.12 0.00 0.00 0.00 175.76 172.87 1xiw s SER 17 N -4.67 3.47 -0.00 0.00 0.01 -1.26 -0.33 113.70 110.91 1xiw s SER 17 Ca 0.65 -1.01 -0.15 0.00 1.31 0.00 0.00 55.95 56.75 1xiw s SER 17 Cb -0.07 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.90 1xiw s SER 17 CO 0.46 0.03 0.31 -0.32 0.41 0.00 0.00 173.24 174.13 1xiw s MET 18 N -3.43 0.70 -0.13 12.44 0.00 -0.63 -4.98 119.30 123.27 1xiw s MET 18 Ca 0.28 -0.26 0.01 0.00 0.00 0.00 0.00 55.69 55.73 1xiw s MET 18 Cb -0.05 0.31 0.02 0.00 0.00 0.00 0.00 34.83 35.11 1xiw s MET 18 CO 0.14 -0.20 -0.16 0.21 0.00 0.00 0.00 175.02 175.01 1xiw s LYS 19 N -1.59 2.39 -0.07 4.11 2.20 -1.26 -0.19 119.74 125.32 1xiw s LYS 19 Ca -0.12 -0.61 -0.05 0.00 -0.36 0.00 0.00 55.97 54.83 1xiw s LYS 19 Cb -0.04 -2.07 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 1xiw s LYS 19 CO 0.03 -0.12 0.15 0.42 -0.36 0.00 0.00 175.35 175.46 1xiw s ILE 20 N 1.14 5.39 0.26 5.43 1.01 -0.16 -4.94 121.20 129.33 1xiw s ILE 20 Ca -0.02 0.03 0.10 0.00 0.00 0.00 0.00 60.65 60.76 1xiw s ILE 20 Cb -0.14 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1xiw s ILE 20 CO -0.05 0.50 -0.07 -0.94 0.00 0.00 0.00 174.94 174.38 1xiw s SER 21 N -1.37 4.24 -0.30 3.58 1.04 -1.26 -1.65 113.70 117.97 1xiw s SER 21 Ca 0.20 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 55.88 1xiw s SER 21 Cb -0.12 -0.67 0.14 0.00 0.10 0.00 0.00 66.02 65.46 1xiw s SER 21 CO 0.10 0.02 0.29 0.00 0.98 0.00 0.00 173.24 174.63 1xiw s LYS 23 N 2.28 4.20 -0.07 0.00 2.47 0.43 -1.55 119.74 127.50 1xiw s LYS 23 Ca 0.10 0.70 -0.15 0.00 -1.56 0.00 0.00 55.97 55.06 1xiw s LYS 23 Cb -0.14 -3.60 -0.05 0.00 -1.46 0.00 0.00 37.83 32.58 1xiw s LYS 23 CO -0.31 -0.31 0.40 0.00 0.16 0.00 0.00 175.35 175.29 1xiw s ALA 24 N 2.15 3.62 0.04 3.13 0.00 -0.46 -0.66 121.76 129.58 1xiw s ALA 24 Ca 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1xiw s ALA 24 Cb -0.16 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1xiw s ALA 24 CO 0.10 0.27 -0.03 -1.54 0.00 0.00 0.00 175.76 174.56 1xiw s SER 25 N -0.29 0.48 0.00 0.00 1.04 -0.26 -4.87 113.70 109.79 1xiw s SER 25 Ca 0.23 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1xiw s SER 25 Cb -0.15 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1xiw s SER 25 CO 0.10 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1xiw n GLY 26 N 0.59 1.02 3.55 7.32 0.00 -1.23 -1.43 105.19 115.01 1xiw n GLY 26 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1xiw n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xiw s TYR 27 N -3.53 -0.15 -0.47 1.61 -0.85 -1.26 -4.52 117.35 108.18 1xiw s TYR 27 Ca 0.00 -0.20 -0.28 0.00 -0.52 0.00 0.00 57.07 56.07 1xiw s TYR 27 Cb 0.00 0.44 -0.01 0.00 0.38 0.00 0.00 41.96 42.77 1xiw s TYR 27 CO 0.00 -0.95 1.64 0.45 -1.52 0.00 0.00 175.55 175.17 1xiw s SER 28 N -2.87 5.90 0.35 -0.18 0.15 -1.26 -4.89 113.70 110.89 1xiw s SER 28 Ca 0.09 0.74 0.10 0.00 0.70 0.00 0.00 55.95 57.58 1xiw s SER 28 Cb -0.02 -2.53 0.87 0.00 -1.71 0.00 0.00 66.02 62.63 1xiw s SER 28 CO -0.02 -1.80 1.81 0.15 1.20 0.00 0.00 173.24 174.57 1xiw h PHE 29 N 12.46 0.87 -0.05 3.44 3.57 -1.96 -1.02 116.94 134.25 1xiw h PHE 29 Ca -0.29 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1xiw h PHE 29 Cb 1.14 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1xiw h PHE 29 CO 1.00 0.21 0.00 0.25 -2.23 0.00 0.00 178.31 177.54 1xiw n THR 30 N -4.66 0.06 0.29 4.41 -2.24 -1.26 -3.79 114.28 107.08 1xiw n THR 30 Ca 0.22 -0.15 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1xiw n THR 30 Cb 0.62 0.01 0.26 0.00 -2.10 0.00 0.00 70.33 69.12 1xiw n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xiw n GLY 31 N 1.01 1.67 3.13 3.38 0.00 -0.39 -4.40 105.19 109.60 1xiw n GLY 31 Ca 0.18 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1xiw n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xiw s TYR 32 N -1.41 0.28 0.29 1.61 2.02 -1.25 -3.94 117.35 114.95 1xiw s TYR 32 Ca 0.40 -0.68 -0.15 0.00 -0.37 0.00 0.00 57.07 56.27 1xiw s TYR 32 Cb 0.22 -0.19 -0.09 0.00 -0.40 0.00 0.00 41.96 41.50 1xiw s TYR 32 CO 0.30 -0.41 0.70 0.99 -1.57 0.00 0.00 175.55 175.56 1xiw s THR 33 N -3.26 4.71 -0.09 -0.71 2.01 0.13 -4.37 115.64 114.06 1xiw s THR 33 Ca 0.01 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.94 1xiw s THR 33 Cb 0.03 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 1xiw s THR 33 CO -0.08 -0.10 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.30 1xiw s MET 34 N -2.79 2.92 0.19 4.92 1.75 -0.84 -1.09 119.30 124.36 1xiw s MET 34 Ca 0.51 -0.68 0.09 0.00 -1.25 0.00 0.00 55.69 54.37 1xiw s MET 34 Cb -0.11 -2.51 -0.04 0.00 2.84 0.00 0.00 34.83 35.00 1xiw s MET 34 CO 0.18 0.44 -0.19 -0.80 -0.65 0.00 0.00 175.02 174.00 1xiw s ASN 35 N -0.25 2.93 -0.05 1.11 0.01 0.70 -1.00 114.94 118.40 1xiw s ASN 35 Ca 0.02 -0.89 0.04 0.00 -0.71 0.00 0.00 52.86 51.31 1xiw s ASN 35 Cb -0.13 -0.19 -0.00 0.00 0.41 0.00 0.00 41.25 41.34 1xiw s ASN 35 CO 0.03 -0.00 -0.16 0.26 -1.51 0.00 0.00 177.10 175.71 1xiw s TRP 36 N -2.10 1.67 -0.02 2.20 0.52 -0.71 -0.20 118.94 120.31 1xiw s TRP 36 Ca 0.19 -0.51 0.05 0.00 0.02 0.00 0.00 56.10 55.85 1xiw s TRP 36 Cb -0.06 -1.14 -0.01 0.00 -1.15 0.00 0.00 33.47 31.11 1xiw s TRP 36 CO 0.08 -0.19 -0.15 0.08 0.02 0.00 0.00 176.95 176.79 1xiw s VAL 37 N 0.14 1.22 -0.14 4.03 1.01 0.25 -0.35 120.40 126.57 1xiw s VAL 37 Ca -0.06 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1xiw s VAL 37 Cb -0.12 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1xiw s VAL 37 CO 0.03 0.35 -0.05 -0.75 0.00 0.00 0.00 175.10 174.67 1xiw s LYS 38 N -0.25 3.52 -0.24 2.72 2.20 0.24 -0.51 119.74 127.42 1xiw s LYS 38 Ca 0.04 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1xiw s LYS 38 Cb -0.07 -2.84 0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1xiw s LYS 38 CO -0.00 0.30 -0.10 -1.14 -0.36 0.00 0.00 175.35 174.05 1xiw s GLN 39 N 0.20 2.05 0.22 4.03 0.74 0.18 -1.13 119.66 125.95 1xiw s GLN 39 Ca -0.03 -1.12 0.10 0.00 0.05 0.00 0.00 55.36 54.36 1xiw s GLN 39 Cb -0.14 -2.69 -0.05 0.00 1.10 0.00 0.00 33.01 31.23 1xiw s GLN 39 CO 0.03 -0.53 -0.19 -1.54 -0.55 0.00 0.00 175.29 172.51 1xiw s SER 40 N 1.26 3.09 0.29 6.67 1.04 -1.26 -0.91 113.70 123.87 1xiw s SER 40 Ca -0.06 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 1xiw s SER 40 Cb -0.19 -0.22 -0.12 0.00 0.10 0.00 0.00 66.02 65.59 1xiw s SER 40 CO -0.06 -0.02 1.47 1.41 0.98 0.00 0.00 173.24 177.02 1xiw n HIS 41 N -0.23 2.52 0.00 5.02 8.25 -1.26 -1.25 115.22 128.27 1xiw n HIS 41 Ca -0.09 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1xiw n HIS 41 Cb 0.59 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 29.18 1xiw n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xiw n GLY 42 N 1.84 0.91 1.32 -1.41 0.00 -1.26 -5.03 105.19 101.57 1xiw n GLY 42 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1xiw n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xiw n LYS 43 N -0.65 -2.04 -1.08 1.61 5.02 -0.38 -5.05 118.16 115.59 1xiw n LYS 43 Ca 0.00 1.34 0.00 0.00 -2.02 0.00 0.00 58.31 57.63 1xiw n LYS 43 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 1xiw n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xiw n ASN 44 N -4.31 -1.44 -4.39 4.39 4.05 -1.26 -4.79 115.26 107.51 1xiw n ASN 44 Ca 0.01 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.67 1xiw n ASN 44 Cb 0.46 -0.72 0.05 0.00 1.23 0.00 0.00 39.78 40.81 1xiw n ASN 44 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1xiw n LEU 45 N -0.26 -0.44 -3.91 1.20 4.77 -1.26 -4.77 117.00 112.33 1xiw n LEU 45 Ca 0.00 0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 56.38 1xiw n LEU 45 Cb 0.00 -1.11 -0.16 0.00 -2.33 0.00 0.00 43.42 39.81 1xiw n LEU 45 CO 0.00 -3.60 -0.41 -1.61 -1.33 0.00 0.00 177.39 170.44 1xiw s GLU 46 N -2.30 0.86 -0.10 3.23 2.02 -0.29 -4.97 118.70 117.16 1xiw s GLU 46 Ca 0.63 -0.14 -0.27 0.00 0.02 0.00 0.00 54.97 55.20 1xiw s GLU 46 Cb -0.38 -0.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.99 1xiw s GLU 46 CO 0.61 -0.04 0.88 -0.46 0.02 0.00 0.00 175.26 176.26 1xiw s TRP 47 N 0.76 3.52 -0.15 1.61 -0.00 -1.26 -0.60 118.94 122.82 1xiw s TRP 47 Ca -0.11 1.42 0.06 0.00 -0.00 0.00 0.00 56.10 57.48 1xiw s TRP 47 Cb -0.13 -3.03 -0.23 0.00 -0.00 0.00 0.00 33.47 30.07 1xiw s TRP 47 CO 0.01 -0.13 0.22 -1.33 -0.00 0.00 0.00 176.95 175.72 1xiw n MET 48 N 4.63 0.68 0.00 5.86 2.81 0.53 -4.68 117.12 126.95 1xiw n MET 48 Ca 0.05 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1xiw n MET 48 Cb 0.50 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1xiw n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xiw n GLY 49 N 1.89 0.03 3.14 3.03 0.00 -1.23 -0.93 105.19 111.11 1xiw n GLY 49 Ca -0.32 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 1xiw n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xiw s LEU 50 N 0.00 2.50 0.01 0.99 0.05 0.18 -1.74 118.68 120.66 1xiw s LEU 50 Ca 0.00 -1.00 0.01 0.00 0.05 0.00 0.00 54.13 53.18 1xiw s LEU 50 Cb 0.00 0.04 -0.01 0.00 -2.05 0.00 0.00 46.19 44.17 1xiw s LEU 50 CO 0.00 -0.52 -0.02 -0.51 -0.55 0.00 0.00 176.35 174.75 1xiw s ILE 51 N -3.74 0.16 -0.43 1.48 2.07 -0.17 -0.95 121.20 119.63 1xiw s ILE 51 Ca 0.10 -0.29 -0.21 0.00 -1.41 0.00 0.00 60.65 58.84 1xiw s ILE 51 Cb 0.06 -0.18 0.02 0.00 0.13 0.00 0.00 42.46 42.49 1xiw s ILE 51 CO -0.07 -0.08 0.66 0.21 -1.91 0.00 0.00 174.94 173.75 1xiw s ASN 52 N -0.40 6.34 0.44 4.50 3.84 0.06 -1.98 114.94 127.75 1xiw s ASN 52 Ca -0.03 -0.27 0.13 0.00 0.21 0.00 0.00 52.86 52.90 1xiw s ASN 52 Cb -0.03 -2.33 0.98 0.00 -0.55 0.00 0.00 41.25 39.32 1xiw s ASN 52 CO -0.00 -0.78 2.00 -0.65 -2.79 0.00 0.00 177.10 174.88 1xiw h PRO 53 N 8.85 0.10 -0.27 0.43 0.11 -1.87 0.38 132.00 139.75 1xiw h PRO 53 Ca -0.25 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.73 1xiw h PRO 53 Cb 1.10 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xiw h PRO 53 CO 0.90 0.22 -0.27 -0.92 -0.21 0.00 0.00 178.00 177.72 1xiw h TYR 54 N 0.10 0.78 0.00 0.65 3.20 -1.88 -3.32 116.97 116.50 1xiw h TYR 54 Ca 0.02 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1xiw h TYR 54 Cb 0.25 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1xiw h TYR 54 CO 0.00 0.96 -1.36 1.63 -1.64 0.00 0.00 178.16 177.76 1xiw n LYS 55 N -4.31 0.33 -1.46 1.82 4.76 -1.16 -4.98 118.16 113.16 1xiw n LYS 55 Ca -0.04 -0.07 -0.10 0.00 -2.87 0.00 0.00 58.31 55.23 1xiw n LYS 55 Cb 0.45 -1.54 -0.04 0.00 -1.84 0.00 0.00 35.03 32.07 1xiw n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xiw n GLY 56 N 1.37 0.91 3.74 0.72 0.00 0.13 -5.01 105.19 107.06 1xiw n GLY 56 Ca 0.01 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1xiw n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xiw s VAL 57 N -2.39 5.40 0.12 1.61 1.01 -1.20 -4.89 120.40 120.06 1xiw s VAL 57 Ca 0.00 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1xiw s VAL 57 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1xiw s VAL 57 CO 0.00 0.44 -0.05 -0.44 0.00 0.00 0.00 175.10 175.05 1xiw s SER 58 N 0.29 4.66 -0.11 3.32 0.01 -1.26 -0.76 113.70 119.86 1xiw s SER 58 Ca 0.10 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 57.02 1xiw s SER 58 Cb -0.11 -0.98 0.02 0.00 0.21 0.00 0.00 66.02 65.16 1xiw s SER 58 CO -0.01 0.16 -0.07 -0.89 0.41 0.00 0.00 173.24 172.84 1xiw s THR 59 N -1.36 0.94 0.16 1.44 2.01 -0.12 -5.00 115.64 113.70 1xiw s THR 59 Ca 0.24 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1xiw s THR 59 Cb -0.11 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1xiw s THR 59 CO 0.16 0.35 0.08 -0.31 -0.69 0.00 0.00 174.62 174.21 1xiw s TYR 60 N 1.70 3.03 0.01 4.92 2.02 -1.26 -0.65 117.35 127.12 1xiw s TYR 60 Ca 0.04 -0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.38 1xiw s TYR 60 Cb -0.13 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 1xiw s TYR 60 CO -0.07 0.52 1.12 1.21 -1.57 0.00 0.00 175.55 176.76 1xiw s ASN 61 N -2.97 7.17 0.31 2.29 3.84 -0.11 -4.90 114.94 120.56 1xiw s ASN 61 Ca 0.29 1.85 0.07 0.00 0.21 0.00 0.00 52.86 55.28 1xiw s ASN 61 Cb -0.10 -2.57 0.80 0.00 -0.55 0.00 0.00 41.25 38.82 1xiw s ASN 61 CO 0.21 -0.43 1.74 -0.61 -2.79 0.00 0.00 177.10 175.23 1xiw h GLN 62 N 6.93 0.59 -0.30 0.43 5.75 -1.95 0.35 115.11 126.91 1xiw h GLN 62 Ca -0.40 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.16 1xiw h GLN 62 Cb 1.20 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1xiw h GLN 62 CO 0.81 0.39 0.26 -0.22 -2.65 0.00 0.00 178.83 177.42 1xiw h LYS 63 N 0.61 0.00 -0.22 1.69 3.64 -1.94 -2.25 116.57 118.10 1xiw h LYS 63 Ca 0.60 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1xiw h LYS 63 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1xiw h LYS 63 CO -0.45 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.92 1xiw n PHE 64 N -4.10 0.29 -0.26 1.91 3.72 0.08 -4.70 117.46 114.40 1xiw n PHE 64 Ca 0.04 -0.27 0.03 0.00 -0.05 0.00 0.00 57.45 57.20 1xiw n PHE 64 Cb 0.42 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 39.11 1xiw n PHE 64 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1xiw h LYS 65 N 2.35 0.60 -0.00 -1.08 1.79 -1.03 -0.82 116.57 118.37 1xiw h LYS 65 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1xiw h LYS 65 Cb 0.65 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1xiw h LYS 65 CO 0.00 0.40 -0.10 -0.40 -1.08 0.00 0.00 179.45 178.26 1xiw n ASP 66 N -4.86 0.29 -0.09 0.86 5.75 -1.26 -4.15 116.55 113.09 1xiw n ASP 66 Ca 0.12 -0.28 -0.10 0.00 -0.01 0.00 0.00 54.79 54.53 1xiw n ASP 66 Cb 0.31 -0.16 -0.13 0.00 -1.03 0.00 0.00 41.12 40.11 1xiw n ASP 66 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1xiw n LYS 67 N -1.16 1.10 -4.32 0.11 3.00 -0.42 -4.80 118.16 111.66 1xiw n LYS 67 Ca 0.12 0.01 -0.23 0.00 -0.00 0.00 0.00 58.31 58.22 1xiw n LYS 67 Cb 0.28 -1.44 -0.12 0.00 0.00 0.00 0.00 35.03 33.76 1xiw n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xiw s ALA 68 N -2.42 1.96 -0.14 3.14 0.00 -0.56 -0.74 121.76 123.00 1xiw s ALA 68 Ca -0.12 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.42 1xiw s ALA 68 Cb 0.05 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1xiw s ALA 68 CO 0.67 0.30 0.01 0.99 0.00 0.00 0.00 175.76 177.73 1xiw s THR 69 N -1.66 0.50 -0.06 0.00 2.01 -0.58 -4.84 115.64 111.01 1xiw s THR 69 Ca 0.12 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 1xiw s THR 69 Cb -0.08 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1xiw s THR 69 CO 0.06 0.04 0.32 -0.76 -0.69 0.00 0.00 174.62 173.58 1xiw s LEU 70 N 1.89 4.41 0.23 4.42 1.43 -1.26 -1.52 118.68 128.29 1xiw s LEU 70 Ca 0.02 0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 53.80 1xiw s LEU 70 Cb -0.15 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1xiw s LEU 70 CO -0.07 0.30 0.33 0.42 0.23 0.00 0.00 176.35 177.57 1xiw s THR 71 N -0.77 0.00 0.08 5.49 -4.23 -0.87 -4.92 115.64 110.41 1xiw s THR 71 Ca 0.20 -1.67 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 1xiw s THR 71 Cb -0.15 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1xiw s THR 71 CO 0.09 0.00 0.28 0.68 -0.54 0.00 0.00 174.62 175.13 1xiw s VAL 72 N -4.02 0.10 -0.36 2.29 -7.23 -1.26 -0.41 120.40 109.51 1xiw s VAL 72 Ca 0.30 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 1xiw s VAL 72 Cb 0.03 -1.14 0.11 0.00 0.56 0.00 0.00 36.38 35.93 1xiw s VAL 72 CO 0.11 -0.47 0.09 -1.81 -0.31 0.00 0.00 175.10 172.71 1xiw s ASP 73 N -2.54 4.51 0.53 4.85 1.01 0.44 -4.96 116.67 120.50 1xiw s ASP 73 Ca 0.01 -2.18 0.21 0.00 0.71 0.00 0.00 52.55 51.30 1xiw s ASP 73 Cb 0.02 -1.45 1.35 0.00 1.01 0.00 0.00 42.92 43.85 1xiw s ASP 73 CO -0.08 -0.36 2.07 0.11 0.21 0.00 0.00 175.17 177.11 1xiw h LYS 74 N 7.53 0.00 -0.97 8.23 1.57 -1.89 -0.78 116.57 130.25 1xiw h LYS 74 Ca -0.06 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1xiw h LYS 74 Cb 1.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.23 1xiw h LYS 74 CO 0.53 0.00 0.62 0.66 -0.57 0.00 0.00 179.45 180.68 1xiw h SER 75 N 0.00 0.86 -0.15 0.86 4.64 -1.95 -2.86 113.55 114.96 1xiw h SER 75 Ca 0.13 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1xiw h SER 75 Cb 0.54 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xiw h SER 75 CO -0.00 0.46 0.00 -1.54 -0.87 0.00 0.00 176.83 174.88 1xiw n SER 76 N -4.59 2.31 -3.69 4.97 3.41 -0.75 -4.99 113.62 110.28 1xiw n SER 76 Ca 0.18 -1.88 -0.22 0.00 -0.26 0.00 0.00 58.87 56.70 1xiw n SER 76 Cb 0.37 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1xiw n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xiw n SER 77 N 0.06 -1.84 -4.14 4.04 7.64 -0.37 -4.73 113.62 114.27 1xiw n SER 77 Ca 0.05 -0.78 -0.25 0.00 1.01 0.00 0.00 58.87 58.90 1xiw n SER 77 Cb 0.31 -4.21 -0.16 0.00 -1.01 0.00 0.00 64.21 59.14 1xiw n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xiw s THR 78 N -3.58 1.37 -0.01 0.44 2.01 -1.04 -1.36 115.64 113.48 1xiw s THR 78 Ca 0.09 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1xiw s THR 78 Cb -0.05 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1xiw s THR 78 CO 0.80 0.39 -0.00 0.00 -0.69 0.00 0.00 174.62 175.12 1xiw s ALA 79 N -0.15 3.27 0.08 7.40 0.00 -0.59 -0.42 121.76 131.35 1xiw s ALA 79 Ca 0.01 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1xiw s ALA 79 Cb -0.09 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1xiw s ALA 79 CO 0.01 0.64 -0.14 0.71 0.00 0.00 0.00 175.76 176.98 1xiw s TYR 80 N -1.07 1.24 -0.11 0.00 2.02 0.45 -1.00 117.35 118.89 1xiw s TYR 80 Ca 0.19 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1xiw s TYR 80 Cb -0.11 -0.69 0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1xiw s TYR 80 CO 0.10 0.07 -0.03 1.41 -1.57 0.00 0.00 175.55 175.53 1xiw s MET 81 N -1.93 1.00 -0.22 -0.62 -2.45 -0.66 -2.06 119.30 112.36 1xiw s MET 81 Ca 0.00 -0.12 -0.09 0.00 -1.25 0.00 0.00 55.69 54.23 1xiw s MET 81 Cb -0.09 -1.38 -0.05 0.00 1.25 0.00 0.00 34.83 34.56 1xiw s MET 81 CO 0.02 -0.33 0.12 -2.00 1.05 0.00 0.00 175.02 173.88 1xiw s GLU 82 N 1.84 4.05 -0.20 4.11 2.12 -0.58 -0.99 118.70 129.06 1xiw s GLU 82 Ca 0.04 -0.29 -0.07 0.00 0.36 0.00 0.00 54.97 55.01 1xiw s GLU 82 Cb -0.13 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1xiw s GLU 82 CO -0.07 0.15 0.06 -0.51 -0.54 0.00 0.00 175.26 174.35 1xiw s LEU 83 N 0.76 3.67 0.16 2.70 1.43 0.73 -1.53 118.68 126.60 1xiw s LEU 83 Ca 0.06 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1xiw s LEU 83 Cb -0.13 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1xiw s LEU 83 CO 0.02 0.12 0.26 -0.76 0.23 0.00 0.00 176.35 176.22 1xiw s LEU 84 N 0.71 4.23 -0.76 1.79 1.43 0.08 -1.60 118.68 124.56 1xiw s LEU 84 Ca 0.03 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 1xiw s LEU 84 Cb -0.13 -2.81 0.01 0.00 0.03 0.00 0.00 46.19 43.29 1xiw s LEU 84 CO 0.02 0.04 0.49 -0.24 0.23 0.00 0.00 176.35 176.89 1xiw n SER 85 N -0.61 -3.54 -4.77 2.29 2.88 -1.16 -4.82 113.62 103.89 1xiw n SER 85 Ca -0.07 -0.86 -0.39 0.00 -1.33 0.00 0.00 58.87 56.21 1xiw n SER 85 Cb 0.54 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1xiw n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xiw s LEU 86 N -5.26 4.16 0.25 2.46 1.43 0.55 -4.62 118.68 117.64 1xiw s LEU 86 Ca 0.14 2.74 0.01 0.00 -1.03 0.00 0.00 54.13 55.99 1xiw s LEU 86 Cb -0.08 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 1xiw s LEU 86 CO 0.72 -0.99 0.08 0.42 0.23 0.00 0.00 176.35 176.81 1xiw s THR 87 N -1.25 0.59 0.42 5.49 -4.23 -1.26 0.11 115.64 115.51 1xiw s THR 87 Ca 0.59 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.49 1xiw s THR 87 Cb -0.40 -2.58 0.39 0.00 1.34 0.00 0.00 72.50 71.25 1xiw s THR 87 CO 0.51 -0.06 2.19 0.77 -0.54 0.00 0.00 174.62 177.49 1xiw h SER 88 N 2.41 0.00 0.79 3.99 4.64 -1.98 0.20 113.55 123.61 1xiw h SER 88 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1xiw h SER 88 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1xiw h SER 88 CO 0.61 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.95 1xiw n GLU 89 N -2.90 0.16 0.00 4.77 -0.58 -1.26 -2.09 120.64 118.74 1xiw n GLU 89 Ca -0.02 0.35 0.13 0.00 -0.42 0.00 0.00 57.16 57.19 1xiw n GLU 89 Cb 0.09 -1.78 0.38 0.00 -0.57 0.00 0.00 31.44 29.55 1xiw n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1xiw n ASP 90 N -2.08 0.53 -4.67 1.62 8.00 0.06 -4.85 116.55 115.15 1xiw n ASP 90 Ca 0.03 -0.31 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 1xiw n ASP 90 Cb 0.25 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1xiw n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xiw s SER 91 N -2.83 6.52 -0.01 -2.24 0.01 -0.89 -4.89 113.70 109.37 1xiw s SER 91 Ca 0.16 2.57 -0.25 0.00 1.31 0.00 0.00 55.95 59.74 1xiw s SER 91 Cb 0.18 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1xiw s SER 91 CO 0.61 -0.99 1.14 0.00 0.41 0.00 0.00 173.24 174.41 1xiw n ALA 92 N 6.74 -3.19 -2.91 1.44 0.00 -0.59 -4.75 120.51 117.24 1xiw n ALA 92 Ca 0.18 -0.73 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 1xiw n ALA 92 Cb 0.41 0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 1xiw n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xiw s VAL 93 N -2.03 4.36 -0.09 0.00 1.01 -0.09 -0.86 120.40 122.70 1xiw s VAL 93 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1xiw s VAL 93 Cb -0.01 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1xiw s VAL 93 CO -0.00 0.45 -0.02 -0.31 0.00 0.00 0.00 175.10 175.22 1xiw s TYR 94 N 0.58 3.10 -0.02 5.22 2.02 0.64 -0.64 117.35 128.25 1xiw s TYR 94 Ca 0.01 0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.88 1xiw s TYR 94 Cb -0.14 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 1xiw s TYR 94 CO 0.02 0.39 -0.21 0.71 -1.57 0.00 0.00 175.55 174.88 1xiw s TYR 95 N -0.73 1.93 -0.01 2.71 2.02 0.33 -0.59 117.35 123.01 1xiw s TYR 95 Ca 0.11 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1xiw s TYR 95 Cb -0.11 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 1xiw s TYR 95 CO 0.02 -0.05 0.13 0.00 -1.57 0.00 0.00 175.55 174.08 1xiw s ALA 97 N -1.25 -0.52 0.30 0.00 0.00 0.72 -1.05 121.76 119.97 1xiw s ALA 97 Ca 0.25 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 1xiw s ALA 97 Cb -0.12 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.51 1xiw s ALA 97 CO 0.16 -0.12 0.73 0.50 0.00 0.00 0.00 175.76 177.03 1xiw s ARG 98 N 0.33 4.03 0.20 0.00 3.52 0.55 -0.21 118.95 127.37 1xiw s ARG 98 Ca -0.02 0.69 -0.06 0.00 -0.13 0.00 0.00 55.73 56.20 1xiw s ARG 98 Cb -0.03 -2.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 1xiw s ARG 98 CO -0.01 0.20 0.26 -1.54 -0.81 0.00 0.00 175.30 173.40 1xiw s SER 99 N -2.18 0.07 0.78 -2.12 1.04 -0.25 -1.81 113.70 109.23 1xiw s SER 99 Ca 0.52 -1.11 -0.15 0.00 0.48 0.00 0.00 55.95 55.70 1xiw s SER 99 Cb -0.11 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1xiw s SER 99 CO 0.18 -0.93 0.98 0.61 0.98 0.00 0.00 173.24 175.06 1xiw n GLY 100 N -0.27 -0.48 0.22 7.32 0.00 -0.33 0.17 105.19 111.81 1xiw n GLY 100 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1xiw n GLY 100 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xiw h TYR 101 N -0.66 0.80 -1.42 1.61 3.20 -1.86 -3.23 116.97 115.40 1xiw h TYR 101 Ca -0.46 -0.16 -0.43 0.00 3.14 0.00 0.00 58.73 60.82 1xiw h TYR 101 Cb 1.32 -0.20 0.02 0.00 1.54 0.00 0.00 36.73 39.41 1xiw h TYR 101 CO 0.42 0.85 -0.24 0.71 -1.64 0.00 0.00 178.16 178.26 1xiw s TYR 102 N -4.83 2.70 -0.44 -3.82 2.02 -1.26 -4.77 117.35 106.94 1xiw s TYR 102 Ca -0.13 -0.41 0.17 0.00 -0.37 0.00 0.00 57.07 56.33 1xiw s TYR 102 Cb 0.10 -2.38 0.88 0.00 -0.40 0.00 0.00 41.96 40.16 1xiw s TYR 102 CO 0.80 -0.50 1.52 0.41 -1.57 0.00 0.00 175.55 176.22 1xiw n GLY 103 N -1.90 -0.85 0.23 0.71 0.00 -1.26 -0.99 105.19 101.13 1xiw n GLY 103 Ca 0.09 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1xiw n GLY 103 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1xiw h ASP 104 N 0.00 0.00 0.00 1.61 2.03 -1.95 -3.38 116.42 114.72 1xiw h ASP 104 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xiw h ASP 104 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1xiw h ASP 104 CO 0.00 0.00 -0.07 -1.54 -1.03 0.00 0.00 179.24 176.60 1xiw n SER 105 N -2.98 0.00 0.00 4.15 3.41 -0.81 -4.88 113.62 112.52 1xiw n SER 105 Ca 0.02 -1.14 0.12 0.00 -0.26 0.00 0.00 58.87 57.62 1xiw n SER 105 Cb 0.40 -0.03 0.54 0.00 -0.26 0.00 0.00 64.21 64.86 1xiw n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xiw n ASP 106 N 0.00 0.00 -0.75 4.04 5.75 -0.16 -1.19 116.55 124.25 1xiw n ASP 106 Ca 0.00 0.47 0.10 0.00 -0.01 0.00 0.00 54.79 55.34 1xiw n ASP 106 Cb 0.53 -0.49 0.29 0.00 -1.03 0.00 0.00 41.12 40.42 1xiw n ASP 106 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1xiw n TRP 107 N -1.49 0.38 -4.13 2.11 4.27 -1.26 -4.56 117.44 112.76 1xiw n TRP 107 Ca 0.06 -0.19 -0.15 0.00 -3.89 0.00 0.00 57.50 53.33 1xiw n TRP 107 Cb 0.29 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.11 1xiw n TRP 107 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 1xiw s TYR 108 N -1.62 0.65 -0.42 -2.67 -0.85 -1.24 -5.12 117.35 106.08 1xiw s TYR 108 Ca 0.32 -0.32 -0.12 0.00 -0.52 0.00 0.00 57.07 56.43 1xiw s TYR 108 Cb 0.18 -0.40 0.05 0.00 0.38 0.00 0.00 41.96 42.17 1xiw s TYR 108 CO 0.25 -0.04 0.29 -0.06 -1.52 0.00 0.00 175.55 174.47 1xiw s PHE 109 N -0.82 3.27 -0.43 -3.49 0.08 -1.26 -4.37 117.98 110.95 1xiw s PHE 109 Ca -0.04 -1.06 0.23 0.00 0.12 0.00 0.00 56.93 56.18 1xiw s PHE 109 Cb -0.07 -2.82 0.28 0.00 -0.57 0.00 0.00 43.02 39.85 1xiw s PHE 109 CO 0.00 -0.74 1.41 0.38 -0.10 0.00 0.00 175.22 176.17 1xiw h ASP 110 N 8.55 0.00 -3.52 1.36 2.03 -1.74 -3.45 116.42 119.65 1xiw h ASP 110 Ca -0.26 -0.03 -0.25 0.00 -0.73 0.00 0.00 57.03 55.76 1xiw h ASP 110 Cb 1.10 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.29 1xiw h ASP 110 CO 0.76 0.01 -0.63 -0.69 -1.03 0.00 0.00 179.24 177.66 1xiw s VAL 111 N -3.24 -0.04 0.08 4.15 1.01 -1.25 -4.99 120.40 116.11 1xiw s VAL 111 Ca 0.05 0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.28 1xiw s VAL 111 Cb 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1xiw s VAL 111 CO 0.71 0.06 -0.26 0.26 0.00 0.00 0.00 175.10 175.87 1xiw s TRP 112 N 0.91 2.34 0.94 5.22 0.52 -1.26 -0.33 118.94 127.28 1xiw s TRP 112 Ca -0.07 -0.38 -0.14 0.00 0.02 0.00 0.00 56.10 55.53 1xiw s TRP 112 Cb -0.10 -1.34 0.16 0.00 -1.15 0.00 0.00 33.47 31.04 1xiw s TRP 112 CO -0.04 0.23 1.18 0.20 0.02 0.00 0.00 176.95 178.54 1xiw s GLY 113 N -1.63 1.62 0.00 0.98 0.00 -0.22 -4.55 107.32 103.52 1xiw s GLY 113 Ca 0.13 -0.73 0.27 0.00 0.00 0.00 0.00 44.72 44.39 1xiw s GLY 113 CO 0.04 -0.10 1.89 0.61 0.00 0.00 0.00 173.10 175.54 1xiw n GLN 114 N -3.81 0.11 0.00 2.90 0.00 -1.25 -4.78 117.38 110.55 1xiw n GLN 114 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 57.00 57.13 1xiw n GLN 114 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1xiw n GLN 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xiw n GLY 115 N 1.23 1.89 2.83 2.61 0.00 -1.26 -5.05 105.19 107.44 1xiw n GLY 115 Ca 0.08 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 1xiw n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xiw s THR 116 N -2.06 0.64 -0.10 2.61 2.01 0.24 -4.87 115.64 114.11 1xiw s THR 116 Ca 0.00 -0.05 -0.22 0.00 0.31 0.00 0.00 61.69 61.73 1xiw s THR 116 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1xiw s THR 116 CO 0.00 0.30 0.64 -0.89 -0.69 0.00 0.00 174.62 173.98 1xiw s THR 117 N 1.78 5.07 -0.13 -0.82 2.01 -1.26 -0.26 115.64 122.03 1xiw s THR 117 Ca 0.04 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.35 1xiw s THR 117 Cb -0.13 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1xiw s THR 117 CO -0.06 0.25 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.70 1xiw s LEU 118 N 0.94 2.25 -0.14 4.42 2.96 -0.04 -1.02 118.68 128.04 1xiw s LEU 118 Ca 0.34 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1xiw s LEU 118 Cb -0.17 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.05 1xiw s LEU 118 CO 0.15 0.11 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.19 1xiw s THR 119 N 0.66 1.99 -0.24 3.68 2.01 -0.32 -1.54 115.64 121.88 1xiw s THR 119 Ca -0.10 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 1xiw s THR 119 Cb -0.16 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.60 1xiw s THR 119 CO 0.02 0.54 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 1xiw s VAL 120 N 0.93 2.76 0.21 3.82 1.01 -1.26 -0.90 120.40 126.97 1xiw s VAL 120 Ca -0.05 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 1xiw s VAL 120 Cb -0.15 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1xiw s VAL 120 CO -0.04 0.25 0.61 0.72 0.00 0.00 0.00 175.10 176.64 1xiw s PHE 121 N 1.32 -0.31 -1.35 5.22 -0.12 -0.70 -4.25 117.98 117.79 1xiw s PHE 121 Ca 0.01 -0.02 0.11 0.00 -0.05 0.00 0.00 56.93 56.98 1xiw s PHE 121 Cb -0.16 0.56 0.09 0.00 -0.63 0.00 0.00 43.02 42.87 1xiw s PHE 121 CO -0.06 -0.99 0.84 0.43 -0.05 0.00 0.00 175.22 175.40