#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiw n ASP 2 N 0.00 1.60 -4.59 6.12 5.68 -1.26 -4.83 116.55 119.27 1xiw n ASP 2 Ca 0.00 0.07 -0.43 0.00 -0.50 0.00 0.00 54.79 53.93 1xiw n ASP 2 Cb 0.00 -0.31 -0.02 0.00 -1.14 0.00 0.00 41.12 39.65 1xiw n ASP 2 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xiw s ILE 3 N -2.54 3.97 -0.15 2.12 1.01 -1.26 -4.93 121.20 119.42 1xiw s ILE 3 Ca -0.23 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.16 1xiw s ILE 3 Cb 0.08 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1xiw s ILE 3 CO 0.72 -1.00 0.56 -1.10 0.00 0.00 0.00 174.94 174.12 1xiw s GLN 4 N 4.95 4.28 -0.09 2.79 -1.52 -1.26 -4.77 119.66 124.04 1xiw s GLN 4 Ca 0.53 0.54 -0.03 0.00 -1.95 0.00 0.00 55.36 54.46 1xiw s GLN 4 Cb -0.10 -3.51 -0.03 0.00 -0.22 0.00 0.00 33.01 29.15 1xiw s GLN 4 CO 0.30 -0.03 0.03 -1.64 -0.25 0.00 0.00 175.29 173.69 1xiw s MET 5 N 1.23 3.06 -0.01 2.91 -1.94 -1.26 -1.07 119.30 122.22 1xiw s MET 5 Ca 0.28 -0.37 -0.00 0.00 -1.71 0.00 0.00 55.69 53.89 1xiw s MET 5 Cb -0.16 -2.86 0.01 0.00 2.01 0.00 0.00 34.83 33.84 1xiw s MET 5 CO 0.11 0.71 0.01 0.95 -0.01 0.00 0.00 175.02 176.80 1xiw s THR 6 N -0.92 -0.02 -0.30 2.05 -4.23 0.34 -4.38 115.64 108.18 1xiw s THR 6 Ca 0.14 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.67 1xiw s THR 6 Cb -0.11 -0.04 0.01 0.00 1.34 0.00 0.00 72.50 73.70 1xiw s THR 6 CO 0.03 0.04 0.09 -1.10 -0.54 0.00 0.00 174.62 173.14 1xiw s GLN 7 N 0.43 3.08 0.13 3.99 -0.21 -1.26 -0.66 119.66 125.15 1xiw s GLN 7 Ca -0.04 -0.87 -0.32 0.00 0.02 0.00 0.00 55.36 54.16 1xiw s GLN 7 Cb -0.05 -3.41 -0.09 0.00 1.00 0.00 0.00 33.01 30.46 1xiw s GLN 7 CO -0.01 -0.46 1.55 1.15 -2.12 0.00 0.00 175.29 175.40 1xiw h THR 8 N 5.86 0.02 -3.37 -0.19 2.02 -1.95 -3.41 112.91 111.89 1xiw h THR 8 Ca -0.31 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.32 1xiw h THR 8 Cb 1.12 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1xiw h THR 8 CO 0.61 0.00 0.08 -0.89 0.37 0.00 0.00 175.52 175.69 1xiw s THR 9 N -5.69 4.80 -0.14 3.16 2.01 -1.26 -4.99 115.64 113.53 1xiw s THR 9 Ca -0.15 1.45 -0.05 0.00 0.31 0.00 0.00 61.69 63.26 1xiw s THR 9 Cb 0.09 -4.03 -0.25 0.00 0.01 0.00 0.00 72.50 68.32 1xiw s THR 9 CO 0.62 0.40 0.27 -1.20 -0.69 0.00 0.00 174.62 174.02 1xiw n SER 10 N 2.72 2.07 -4.18 3.53 7.64 -1.26 -4.38 113.62 119.76 1xiw n SER 10 Ca -0.05 0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.86 1xiw n SER 10 Cb 0.50 -0.76 -0.10 0.00 -1.01 0.00 0.00 64.21 62.84 1xiw n SER 10 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1xiw s SER 11 N -6.93 1.31 -0.15 6.43 1.04 -1.26 -0.01 113.70 114.13 1xiw s SER 11 Ca -0.24 -0.91 -0.08 0.00 0.48 0.00 0.00 55.95 55.20 1xiw s SER 11 Cb 0.07 0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1xiw s SER 11 CO 0.74 -0.36 0.35 -0.22 0.98 0.00 0.00 173.24 174.73 1xiw s LEU 12 N -2.77 0.03 -0.06 2.42 1.98 0.40 -4.85 118.68 115.83 1xiw s LEU 12 Ca 0.09 0.77 0.05 0.00 -2.89 0.00 0.00 54.13 52.15 1xiw s LEU 12 Cb 0.01 1.13 -0.02 0.00 0.66 0.00 0.00 46.19 47.97 1xiw s LEU 12 CO -0.02 -0.19 -0.20 -0.55 -1.89 0.00 0.00 176.35 173.50 1xiw s SER 13 N 1.46 3.49 0.00 3.68 0.15 -1.26 0.12 113.70 121.33 1xiw s SER 13 Ca -0.09 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1xiw s SER 13 Cb -0.09 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1xiw s SER 13 CO -0.11 0.27 0.00 0.00 1.20 0.00 0.00 173.24 174.60 1xiw n ALA 14 N 2.80 0.00 -2.35 5.45 0.00 -0.10 -4.96 120.51 121.35 1xiw n ALA 14 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 1xiw n ALA 14 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1xiw n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xiw s SER 15 N -0.92 2.08 1.00 0.00 0.01 -1.26 -4.24 113.70 110.36 1xiw s SER 15 Ca 0.00 -1.20 -0.14 0.00 1.31 0.00 0.00 55.95 55.92 1xiw s SER 15 Cb 0.00 -0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.24 1xiw s SER 15 CO 0.00 -0.46 0.27 0.18 0.41 0.00 0.00 173.24 173.64 1xiw n LEU 16 N -0.45 -0.93 0.00 2.44 4.32 -1.26 -1.79 117.00 119.32 1xiw n LEU 16 Ca -0.05 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1xiw n LEU 16 Cb 0.64 -1.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 1xiw n LEU 16 CO 0.37 -3.52 0.00 0.61 -1.22 0.00 0.00 177.39 173.63 1xiw n GLY 17 N 1.69 0.20 3.69 -0.72 0.00 -0.64 -4.80 105.19 104.60 1xiw n GLY 17 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1xiw n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xiw s ASP 18 N -2.14 2.76 -0.11 1.61 1.11 -0.74 -4.08 116.67 115.08 1xiw s ASP 18 Ca 0.00 1.22 -0.01 0.00 0.18 0.00 0.00 52.55 53.94 1xiw s ASP 18 Cb 0.00 -1.88 0.03 0.00 1.07 0.00 0.00 42.92 42.13 1xiw s ASP 18 CO 0.00 -3.05 -0.05 -0.60 1.18 0.00 0.00 175.17 172.64 1xiw s ARG 19 N -4.97 1.28 0.28 8.23 3.52 -1.26 -1.86 118.95 124.16 1xiw s ARG 19 Ca 0.65 -0.19 0.12 0.00 -0.13 0.00 0.00 55.73 56.18 1xiw s ARG 19 Cb -0.18 -1.48 -0.05 0.00 -1.56 0.00 0.00 34.95 31.68 1xiw s ARG 19 CO 0.57 -0.30 -0.18 0.14 -0.81 0.00 0.00 175.30 174.73 1xiw s VAL 20 N 1.77 2.57 -0.06 7.11 -7.23 0.23 -4.97 120.40 119.83 1xiw s VAL 20 Ca 0.05 -2.35 0.00 0.00 -1.81 0.00 0.00 61.98 57.87 1xiw s VAL 20 Cb -0.13 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.47 1xiw s VAL 20 CO -0.07 -0.39 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.40 1xiw s THR 21 N -2.49 0.53 -0.20 5.32 2.01 -1.26 -0.45 115.64 119.10 1xiw s THR 21 Ca 0.30 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.16 1xiw s THR 21 Cb -0.05 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1xiw s THR 21 CO 0.16 0.24 0.05 -0.63 -0.69 0.00 0.00 174.62 173.75 1xiw s ILE 22 N 1.24 4.55 0.18 1.82 1.01 0.24 -4.94 121.20 125.31 1xiw s ILE 22 Ca -0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1xiw s ILE 22 Cb -0.14 -3.07 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 1xiw s ILE 22 CO -0.02 0.43 0.46 -0.55 0.00 0.00 0.00 174.94 175.26 1xiw s SER 23 N 0.72 6.58 -0.09 3.58 0.15 -1.26 -0.71 113.70 122.66 1xiw s SER 23 Ca 0.03 0.77 -0.07 0.00 0.70 0.00 0.00 55.95 57.38 1xiw s SER 23 Cb -0.13 -2.17 0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1xiw s SER 23 CO 0.02 0.01 0.24 0.00 1.20 0.00 0.00 173.24 174.71 1xiw s ARG 25 N 0.47 0.96 0.08 0.00 3.52 0.16 -1.05 118.95 123.10 1xiw s ARG 25 Ca -0.03 -0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.21 1xiw s ARG 25 Cb -0.04 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.39 1xiw s ARG 25 CO -0.02 0.23 0.03 0.00 -0.81 0.00 0.00 175.30 174.72 1xiw s ALA 26 N -0.20 3.38 -0.93 6.12 0.00 0.28 -0.50 121.76 129.91 1xiw s ALA 26 Ca 0.03 -1.07 0.27 0.00 0.00 0.00 0.00 51.96 51.19 1xiw s ALA 26 Cb -0.05 -1.29 1.09 0.00 0.00 0.00 0.00 23.12 22.87 1xiw s ALA 26 CO -0.00 0.71 1.85 -1.13 0.00 0.00 0.00 175.76 177.19 1xiw n SER 27 N 0.61 0.18 -4.05 0.00 3.41 -0.23 -4.77 113.62 108.77 1xiw n SER 27 Ca -0.10 0.52 -0.07 0.00 -0.26 0.00 0.00 58.87 58.95 1xiw n SER 27 Cb 0.52 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 1xiw n SER 27 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xiw s GLN 28 N -3.03 0.63 0.05 4.33 -0.21 -1.26 -4.96 119.66 115.21 1xiw s GLN 28 Ca 0.12 -1.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.06 1xiw s GLN 28 Cb 0.16 0.22 -0.08 0.00 1.00 0.00 0.00 33.01 34.32 1xiw s GLN 28 CO 0.51 -0.13 1.69 0.34 -2.12 0.00 0.00 175.29 175.58 1xiw s ASP 29 N -2.82 6.59 -0.10 5.90 -1.08 -1.26 -4.65 116.67 119.26 1xiw s ASP 29 Ca 0.05 2.48 0.15 0.00 -0.52 0.00 0.00 52.55 54.71 1xiw s ASP 29 Cb 0.06 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.46 1xiw s ASP 29 CO -0.10 -0.91 1.41 2.30 0.52 0.00 0.00 175.17 178.39 1xiw n ILE 30 N 4.89 1.70 -4.31 4.11 -5.35 -1.02 -5.00 119.36 114.38 1xiw n ILE 30 Ca 0.16 -1.38 -0.35 0.00 -0.27 0.00 0.00 62.75 60.91 1xiw n ILE 30 Cb 0.41 0.12 -0.07 0.00 -1.74 0.00 0.00 39.64 38.36 1xiw n ILE 30 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1xiw n ARG 31 N 0.27 -1.68 -0.85 6.28 1.74 -1.26 -1.51 116.66 119.64 1xiw n ARG 31 Ca 0.19 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1xiw n ARG 31 Cb 0.72 -4.38 0.00 0.00 -1.02 0.00 0.00 32.46 27.78 1xiw n ARG 31 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xiw n ASN 32 N -2.73 -2.21 -4.03 0.55 4.13 -1.26 -4.90 115.26 104.80 1xiw n ASN 32 Ca -0.11 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.72 1xiw n ASN 32 Cb 0.58 -1.77 0.00 0.00 -1.54 0.00 0.00 39.78 37.05 1xiw n ASN 32 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1xiw n TYR 33 N -2.21 3.73 -4.27 3.10 4.01 -0.57 -2.43 117.16 118.52 1xiw n TYR 33 Ca 0.00 -2.95 -0.24 0.00 -0.16 0.00 0.00 57.90 54.55 1xiw n TYR 33 Cb 0.13 -2.28 -0.17 0.00 -0.31 0.00 0.00 39.34 36.71 1xiw n TYR 33 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xiw s LEU 34 N 1.53 1.40 0.18 7.72 1.98 -1.26 -0.43 118.68 129.80 1xiw s LEU 34 Ca 0.45 -0.24 0.11 0.00 -2.89 0.00 0.00 54.13 51.55 1xiw s LEU 34 Cb 0.08 -0.71 -0.04 0.00 0.66 0.00 0.00 46.19 46.18 1xiw s LEU 34 CO -0.01 -0.04 -0.22 0.20 -1.89 0.00 0.00 176.35 174.39 1xiw s ASN 35 N 1.05 3.54 -0.05 3.68 0.01 0.16 -0.30 114.94 123.02 1xiw s ASN 35 Ca -0.08 -0.81 0.06 0.00 -0.71 0.00 0.00 52.86 51.32 1xiw s ASN 35 Cb -0.14 -0.32 -0.01 0.00 0.41 0.00 0.00 41.25 41.18 1xiw s ASN 35 CO -0.01 0.13 -0.24 0.26 -1.51 0.00 0.00 177.10 175.73 1xiw s TRP 36 N -1.59 2.44 0.13 2.20 0.52 0.12 -0.80 118.94 121.97 1xiw s TRP 36 Ca 0.20 -0.67 0.09 0.00 0.02 0.00 0.00 56.10 55.74 1xiw s TRP 36 Cb -0.08 -1.59 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1xiw s TRP 36 CO 0.10 -0.18 -0.20 0.71 0.02 0.00 0.00 176.95 177.40 1xiw s TYR 37 N -0.23 1.84 -0.15 -1.98 2.02 0.06 -0.65 117.35 118.26 1xiw s TYR 37 Ca -0.02 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.25 1xiw s TYR 37 Cb -0.13 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1xiw s TYR 37 CO 0.03 0.26 -0.13 -1.14 -1.57 0.00 0.00 175.55 173.00 1xiw s GLN 38 N -2.26 3.28 -0.23 -0.62 0.74 -0.07 -1.49 119.66 119.01 1xiw s GLN 38 Ca 0.10 -0.72 -0.00 0.00 0.05 0.00 0.00 55.36 54.80 1xiw s GLN 38 Cb -0.08 -2.67 0.03 0.00 1.10 0.00 0.00 33.01 31.39 1xiw s GLN 38 CO 0.05 0.05 -0.11 -1.14 -0.55 0.00 0.00 175.29 173.60 1xiw s GLN 39 N 0.74 2.79 0.79 1.67 0.74 0.38 -1.05 119.66 125.72 1xiw s GLN 39 Ca -0.06 -0.99 -0.11 0.00 0.05 0.00 0.00 55.36 54.24 1xiw s GLN 39 Cb -0.15 -2.86 0.07 0.00 1.10 0.00 0.00 33.01 31.16 1xiw s GLN 39 CO 0.01 -0.37 1.09 0.15 -0.55 0.00 0.00 175.29 175.62 1xiw s LYS 40 N 1.28 2.11 0.57 1.67 -0.14 -0.19 -1.00 119.74 124.04 1xiw s LYS 40 Ca -0.00 0.68 0.28 0.00 -1.36 0.00 0.00 55.97 55.57 1xiw s LYS 40 Cb -0.16 -1.92 1.48 0.00 -1.68 0.00 0.00 37.83 35.55 1xiw s LYS 40 CO -0.07 -1.61 1.94 -1.35 -0.76 0.00 0.00 175.35 173.50 1xiw h PRO 41 N -1.08 0.00 -0.11 -1.68 0.11 -1.90 0.70 132.00 128.03 1xiw h PRO 41 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xiw h PRO 41 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xiw h PRO 41 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 1xiw n ASP 42 N -3.95 0.93 0.00 -2.05 5.75 -1.26 -4.91 116.55 111.05 1xiw n ASP 42 Ca 0.10 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 1xiw n ASP 42 Cb 0.67 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1xiw n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xiw n GLY 43 N 0.94 1.17 3.76 6.12 0.00 0.24 -5.04 105.19 112.38 1xiw n GLY 43 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1xiw n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xiw s THR 44 N -2.67 3.39 -0.03 2.61 -4.23 -1.26 -4.78 115.64 108.68 1xiw s THR 44 Ca 0.00 1.32 0.08 0.00 -1.18 0.00 0.00 61.69 61.90 1xiw s THR 44 Cb 0.00 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 1xiw s THR 44 CO 0.00 0.25 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.39 1xiw s VAL 45 N -1.27 2.01 0.00 2.29 1.01 -1.26 -1.02 120.40 122.15 1xiw s VAL 45 Ca 0.49 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1xiw s VAL 45 Cb -0.31 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1xiw s VAL 45 CO 0.40 0.57 -0.07 -0.54 0.00 0.00 0.00 175.10 175.46 1xiw s LYS 46 N -0.52 0.53 0.16 2.72 1.02 -0.22 -4.98 119.74 118.44 1xiw s LYS 46 Ca 0.07 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 1xiw s LYS 46 Cb -0.10 -0.49 -0.07 0.00 -0.52 0.00 0.00 37.83 36.64 1xiw s LYS 46 CO -0.00 0.13 1.07 -1.17 -0.92 0.00 0.00 175.35 174.46 1xiw s LEU 47 N -0.31 4.49 -0.14 3.17 2.96 -1.26 -0.90 118.68 126.69 1xiw s LEU 47 Ca 0.01 2.02 -0.11 0.00 -0.22 0.00 0.00 54.13 55.83 1xiw s LEU 47 Cb -0.03 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 1xiw s LEU 47 CO -0.00 -0.20 -0.24 0.18 -1.32 0.00 0.00 176.35 174.77 1xiw n LEU 48 N 2.53 1.53 -3.91 -0.68 4.77 0.17 -4.81 117.00 116.61 1xiw n LEU 48 Ca 0.03 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1xiw n LEU 48 Cb 0.47 -0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1xiw n LEU 48 CO 0.53 -0.05 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.55 1xiw s ILE 49 N -2.50 0.06 0.14 -0.08 1.01 -1.11 -1.79 121.20 116.93 1xiw s ILE 49 Ca -0.23 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.20 1xiw s ILE 49 Cb 0.06 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.39 1xiw s ILE 49 CO 0.31 -0.13 -0.11 -0.72 0.00 0.00 0.00 174.94 174.30 1xiw s TYR 50 N -0.40 1.27 -1.21 3.97 -0.85 0.22 -0.70 117.35 119.64 1xiw s TYR 50 Ca -0.04 -0.71 -0.09 0.00 -0.52 0.00 0.00 57.07 55.70 1xiw s TYR 50 Cb -0.03 -0.65 -0.01 0.00 0.38 0.00 0.00 41.96 41.65 1xiw s TYR 50 CO -0.00 0.09 0.74 0.98 -1.52 0.00 0.00 175.55 175.84 1xiw n TYR 51 N -0.01 -1.96 0.00 -3.49 9.36 -1.08 -1.29 117.16 118.68 1xiw n TYR 51 Ca -0.12 0.67 0.00 0.00 3.32 0.00 0.00 57.90 61.78 1xiw n TYR 51 Cb 0.60 -3.90 0.00 0.00 -0.63 0.00 0.00 39.34 35.41 1xiw n TYR 51 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1xiw n THR 52 N -4.10 0.00 -0.81 2.97 -1.04 0.59 -3.79 114.28 108.10 1xiw n THR 52 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1xiw n THR 52 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 1xiw n THR 52 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xiw n SER 53 N 0.68 0.19 -4.68 8.00 7.64 -1.21 -3.49 113.62 120.75 1xiw n SER 53 Ca 0.00 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.45 1xiw n SER 53 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1xiw n SER 53 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1xiw s ARG 54 N -0.00 4.36 0.11 1.43 0.52 -0.41 -4.63 118.95 120.33 1xiw s ARG 54 Ca 0.00 1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 56.15 1xiw s ARG 54 Cb 0.00 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.85 1xiw s ARG 54 CO 0.00 -0.34 0.99 -0.51 0.02 0.00 0.00 175.30 175.46 1xiw s LEU 55 N 2.14 4.49 0.51 2.53 1.02 -1.26 -0.61 118.68 127.49 1xiw s LEU 55 Ca 0.44 1.84 -0.19 0.00 0.02 0.00 0.00 54.13 56.23 1xiw s LEU 55 Cb -0.17 -3.59 -0.08 0.00 0.02 0.00 0.00 46.19 42.37 1xiw s LEU 55 CO 0.15 -0.11 1.03 -2.28 0.02 0.00 0.00 176.35 175.16 1xiw s HIS 56 N 0.04 3.05 0.16 0.29 5.65 -0.74 -4.93 115.29 118.82 1xiw s HIS 56 Ca 0.48 1.56 -0.33 0.00 0.25 0.00 0.00 55.06 57.01 1xiw s HIS 56 Cb -0.24 -3.02 -0.16 0.00 -1.18 0.00 0.00 32.58 27.98 1xiw s HIS 56 CO 0.30 -0.80 1.25 0.43 -0.65 0.00 0.00 174.74 175.28 1xiw n SER 57 N -1.20 1.65 0.00 9.88 7.64 -1.26 -1.92 113.62 128.42 1xiw n SER 57 Ca 0.09 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1xiw n SER 57 Cb 0.53 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1xiw n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xiw n GLY 58 N 2.21 1.42 3.75 0.23 0.00 -1.26 -5.03 105.19 106.50 1xiw n GLY 58 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1xiw n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xiw s VAL 59 N -3.17 4.84 0.56 1.61 1.01 -0.81 -5.05 120.40 119.40 1xiw s VAL 59 Ca 0.00 1.43 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 1xiw s VAL 59 Cb 0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1xiw s VAL 59 CO 0.00 0.38 1.07 -2.16 0.00 0.00 0.00 175.10 174.39 1xiw s PRO 60 N -0.05 3.43 0.00 2.72 0.04 -1.26 -4.92 135.00 134.96 1xiw s PRO 60 Ca 0.35 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.78 1xiw s PRO 60 Cb -0.19 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.43 1xiw s PRO 60 CO 0.20 -0.74 1.06 -1.13 0.04 0.00 0.00 177.00 176.42 1xiw n SER 61 N -1.57 0.00 0.28 6.66 3.41 -1.26 -2.02 113.62 119.12 1xiw n SER 61 Ca 0.10 0.45 0.18 0.00 -0.26 0.00 0.00 58.87 59.35 1xiw n SER 61 Cb 0.52 -0.46 0.88 0.00 -0.26 0.00 0.00 64.21 64.89 1xiw n SER 61 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1xiw h LYS 62 N 0.00 0.00 -5.54 4.33 2.10 -1.91 -3.41 116.57 112.14 1xiw h LYS 62 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 1xiw h LYS 62 Cb 0.04 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.28 1xiw h LYS 62 CO 0.00 0.00 -0.37 -0.06 -2.00 0.00 0.00 179.45 177.02 1xiw s PHE 63 N -3.82 3.51 0.02 0.07 0.08 -0.86 -1.85 117.98 115.13 1xiw s PHE 63 Ca -0.01 0.58 -0.12 0.00 0.12 0.00 0.00 56.93 57.50 1xiw s PHE 63 Cb 0.10 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1xiw s PHE 63 CO 0.44 0.39 0.24 -1.54 -0.10 0.00 0.00 175.22 174.65 1xiw s SER 64 N -0.00 -0.06 0.06 1.36 1.04 -0.78 -4.99 113.70 110.32 1xiw s SER 64 Ca 0.15 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.41 1xiw s SER 64 Cb -0.13 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1xiw s SER 64 CO 0.04 -0.52 -0.06 -0.83 0.98 0.00 0.00 173.24 172.85 1xiw s GLY 65 N -1.78 0.57 0.35 7.32 0.00 -1.26 -0.76 107.32 111.76 1xiw s GLY 65 Ca -0.09 -1.04 -0.05 0.00 0.00 0.00 0.00 44.72 43.54 1xiw s GLY 65 CO -0.01 -1.13 0.55 -1.35 0.00 0.00 0.00 173.10 171.17 1xiw s SER 66 N -2.34 0.72 0.00 1.64 1.04 -0.22 -4.29 113.70 110.26 1xiw s SER 66 Ca 0.00 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1xiw s SER 66 Cb -0.01 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1xiw s SER 66 CO -0.03 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.40 1xiw n GLY 67 N -0.56 2.99 3.51 7.32 0.00 -1.26 -0.80 105.19 116.39 1xiw n GLY 67 Ca -0.01 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1xiw n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xiw s SER 68 N 0.00 -0.38 1.88 1.61 0.15 -0.44 -4.94 113.70 111.58 1xiw s SER 68 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1xiw s SER 68 Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1xiw s SER 68 CO 0.00 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1xiw n GLY 69 N -0.13 1.67 0.35 9.45 0.00 -1.26 -2.01 105.19 113.26 1xiw n GLY 69 Ca -0.10 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1xiw n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xiw n THR 70 N 0.00 0.00 -4.74 2.61 -2.24 -1.26 -2.42 114.28 106.23 1xiw n THR 70 Ca 0.00 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 61.03 1xiw n THR 70 Cb 0.00 1.18 -0.17 0.00 -2.10 0.00 0.00 70.33 69.25 1xiw n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xiw s ASP 71 N -1.20 2.86 0.09 3.42 1.01 -0.85 -0.56 116.67 121.44 1xiw s ASP 71 Ca 0.11 -0.53 0.01 0.00 0.71 0.00 0.00 52.55 52.85 1xiw s ASP 71 Cb 0.09 -1.31 -0.04 0.00 1.01 0.00 0.00 42.92 42.67 1xiw s ASP 71 CO 0.21 0.08 -0.06 -0.31 0.21 0.00 0.00 175.17 175.30 1xiw s TYR 72 N 0.74 0.81 -0.04 4.23 2.02 -0.21 -1.33 117.35 123.56 1xiw s TYR 72 Ca -0.10 -0.95 -0.09 0.00 -0.37 0.00 0.00 57.07 55.57 1xiw s TYR 72 Cb -0.16 -0.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.93 1xiw s TYR 72 CO 0.01 -0.20 0.21 -1.54 -1.57 0.00 0.00 175.55 172.46 1xiw s SER 73 N -3.00 -0.14 -0.13 2.29 1.04 0.02 -0.97 113.70 112.81 1xiw s SER 73 Ca 0.11 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.69 1xiw s SER 73 Cb 0.06 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1xiw s SER 73 CO -0.06 -0.24 -0.12 -0.22 0.98 0.00 0.00 173.24 173.58 1xiw s LEU 74 N -0.65 2.76 -0.14 2.42 2.96 0.11 -1.05 118.68 125.10 1xiw s LEU 74 Ca -0.07 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1xiw s LEU 74 Cb -0.04 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.02 1xiw s LEU 74 CO 0.01 0.17 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.13 1xiw s THR 75 N 0.35 2.41 -0.17 3.68 2.01 0.06 0.81 115.64 124.77 1xiw s THR 75 Ca -0.10 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.03 1xiw s THR 75 Cb -0.16 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.38 1xiw s THR 75 CO 0.06 0.54 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.72 1xiw s ILE 76 N 0.66 2.35 0.44 1.82 1.01 0.41 -1.87 121.20 126.02 1xiw s ILE 76 Ca -0.09 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.77 1xiw s ILE 76 Cb -0.16 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1xiw s ILE 76 CO 0.02 0.52 0.36 -0.94 0.00 0.00 0.00 174.94 174.90 1xiw s SER 77 N 1.13 4.87 -1.55 3.58 1.04 -0.77 -0.60 113.70 121.40 1xiw s SER 77 Ca 0.01 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.51 1xiw s SER 77 Cb -0.14 -0.35 0.03 0.00 0.10 0.00 0.00 66.02 65.66 1xiw s SER 77 CO -0.07 -0.74 0.19 -3.20 0.98 0.00 0.00 173.24 170.40 1xiw n ASN 78 N -1.55 0.22 -4.47 7.02 5.15 -0.78 -4.80 115.26 116.04 1xiw n ASN 78 Ca 0.02 -1.20 -0.44 0.00 -0.60 0.00 0.00 54.58 52.37 1xiw n ASN 78 Cb 0.63 -2.02 -0.01 0.00 -0.53 0.00 0.00 39.78 37.85 1xiw n ASN 78 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1xiw n LEU 79 N -4.49 0.09 -4.28 1.20 4.77 -0.79 -4.44 117.00 109.07 1xiw n LEU 79 Ca -0.27 1.02 -0.15 0.00 -0.03 0.00 0.00 56.01 56.58 1xiw n LEU 79 Cb 0.67 -1.12 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 1xiw n LEU 79 CO 0.84 -2.57 -0.33 -1.61 -1.33 0.00 0.00 177.39 172.39 1xiw s GLU 80 N -1.43 1.21 0.47 3.23 2.02 -1.26 -1.62 118.70 121.31 1xiw s GLU 80 Ca 0.62 -1.59 0.15 0.00 0.02 0.00 0.00 54.97 54.16 1xiw s GLU 80 Cb -0.70 -0.40 1.13 0.00 0.10 0.00 0.00 34.13 34.26 1xiw s GLU 80 CO 0.58 -0.12 2.06 0.37 0.02 0.00 0.00 175.26 178.17 1xiw h GLN 81 N 2.60 0.23 0.00 1.61 5.75 -1.99 -0.60 115.11 122.71 1xiw h GLN 81 Ca -0.37 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 1xiw h GLN 81 Cb 1.21 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1xiw h GLN 81 CO 0.63 0.15 0.00 0.93 -2.65 0.00 0.00 178.83 177.89 1xiw h GLU 82 N 0.24 0.00 -0.00 1.69 5.08 -2.01 -2.84 114.58 116.74 1xiw h GLU 82 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xiw h GLU 82 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xiw h GLU 82 CO -0.03 0.00 -0.15 -0.25 -1.00 0.00 0.00 179.01 177.59 1xiw n ASP 83 N -2.31 0.43 -4.67 1.42 8.00 -0.23 -4.83 116.55 114.36 1xiw n ASP 83 Ca 0.01 -0.40 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 1xiw n ASP 83 Cb 0.20 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1xiw n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xiw s ILE 84 N -2.61 3.27 -0.08 0.53 1.01 -1.07 -4.86 121.20 117.39 1xiw s ILE 84 Ca 0.24 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1xiw s ILE 84 Cb 0.20 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1xiw s ILE 84 CO 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 174.94 175.42 1xiw n ALA 85 N 6.82 0.00 -3.03 9.38 0.00 -1.16 -4.65 120.51 127.86 1xiw n ALA 85 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 1xiw n ALA 85 Cb 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 1xiw n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xiw s THR 86 N -2.41 3.64 -0.18 0.00 2.01 -0.17 -0.91 115.64 117.64 1xiw s THR 86 Ca 0.00 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 1xiw s THR 86 Cb 0.00 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1xiw s THR 86 CO 0.00 0.49 0.02 -0.31 -0.69 0.00 0.00 174.62 174.14 1xiw s TYR 87 N 0.48 3.16 -0.02 4.92 2.02 -0.01 -0.47 117.35 127.43 1xiw s TYR 87 Ca -0.05 -0.09 0.07 0.00 -0.37 0.00 0.00 57.07 56.63 1xiw s TYR 87 Cb -0.15 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1xiw s TYR 87 CO 0.03 0.06 -0.24 -0.06 -1.57 0.00 0.00 175.55 173.77 1xiw s PHE 88 N 0.42 2.21 0.23 2.71 0.08 -0.56 -0.59 117.98 122.48 1xiw s PHE 88 Ca 0.00 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.68 1xiw s PHE 88 Cb -0.13 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1xiw s PHE 88 CO 0.01 -0.05 0.19 0.00 -0.10 0.00 0.00 175.22 175.27 1xiw s GLN 90 N -3.65 0.34 -0.08 0.00 0.74 0.02 -1.98 119.66 115.06 1xiw s GLN 90 Ca 0.32 0.52 -0.14 0.00 0.05 0.00 0.00 55.36 56.11 1xiw s GLN 90 Cb -0.08 0.09 -0.05 0.00 1.10 0.00 0.00 33.01 34.06 1xiw s GLN 90 CO 0.25 -0.09 0.34 1.14 -0.55 0.00 0.00 175.29 176.38 1xiw s GLN 91 N 0.59 4.00 -0.24 1.67 1.03 -0.18 -0.67 119.66 125.86 1xiw s GLN 91 Ca -0.03 0.24 0.10 0.00 0.04 0.00 0.00 55.36 55.71 1xiw s GLN 91 Cb -0.05 -3.30 0.44 0.00 0.03 0.00 0.00 33.01 30.13 1xiw s GLN 91 CO -0.04 0.51 1.20 0.41 -2.54 0.00 0.00 175.29 174.84 1xiw n GLY 92 N 2.48 5.44 0.09 2.60 0.00 0.43 -3.47 105.19 112.76 1xiw n GLY 92 Ca -0.13 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 1xiw n GLY 92 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xiw h ASN 93 N 1.49 0.00 -4.03 1.61 -1.24 -1.82 -3.47 115.58 108.12 1xiw h ASN 93 Ca 0.13 -0.57 -0.21 0.00 0.71 0.00 0.00 56.30 56.37 1xiw h ASN 93 Cb 1.24 0.00 -0.26 0.00 0.73 0.00 0.00 38.32 40.03 1xiw h ASN 93 CO 0.30 1.32 -0.69 0.42 -1.29 0.00 0.00 177.43 177.49 1xiw s THR 94 N -2.31 0.03 0.46 -3.57 -4.23 -1.26 -5.12 115.64 99.64 1xiw s THR 94 Ca -0.25 -0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 59.82 1xiw s THR 94 Cb 0.04 -0.10 -0.07 0.00 1.34 0.00 0.00 72.50 73.71 1xiw s THR 94 CO 0.58 -0.11 1.18 -0.76 -0.54 0.00 0.00 174.62 174.96 1xiw s LEU 95 N -0.33 4.00 0.33 4.79 1.43 -1.26 -3.95 118.68 123.69 1xiw s LEU 95 Ca -0.04 2.33 -0.26 0.00 -1.03 0.00 0.00 54.13 55.14 1xiw s LEU 95 Cb -0.02 -4.24 -0.10 0.00 0.03 0.00 0.00 46.19 41.86 1xiw s LEU 95 CO -0.00 -0.95 0.96 -2.16 0.23 0.00 0.00 176.35 174.43 1xiw s PRO 96 N -2.71 4.54 0.50 1.29 0.04 -1.26 -4.92 135.00 132.49 1xiw s PRO 96 Ca 0.64 1.36 -0.24 0.00 0.04 0.00 0.00 61.00 62.80 1xiw s PRO 96 Cb -0.29 -2.78 -0.07 0.00 0.04 0.00 0.00 34.50 31.41 1xiw s PRO 96 CO 0.35 0.23 1.41 0.91 0.04 0.00 0.00 177.00 179.94 1xiw n TRP 97 N 0.50 2.55 -4.04 0.56 5.03 -1.25 -4.63 117.44 116.15 1xiw n TRP 97 Ca 0.02 0.43 -0.12 0.00 3.03 0.00 0.00 57.50 60.86 1xiw n TRP 97 Cb 0.50 -2.42 -0.11 0.00 -1.03 0.00 0.00 31.31 28.25 1xiw n TRP 97 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1xiw s THR 98 N -1.24 0.42 0.24 -0.99 -4.23 -1.23 -4.88 115.64 103.74 1xiw s THR 98 Ca 0.66 -0.99 0.11 0.00 -1.18 0.00 0.00 61.69 60.30 1xiw s THR 98 Cb -0.43 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.86 1xiw s THR 98 CO 0.53 -0.38 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.71 1xiw s PHE 99 N -1.32 2.42 0.73 3.99 0.08 -1.26 -1.01 117.98 121.61 1xiw s PHE 99 Ca -0.11 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.64 1xiw s PHE 99 Cb -0.09 -1.11 0.14 0.00 -0.57 0.00 0.00 43.02 41.39 1xiw s PHE 99 CO 0.00 0.62 1.01 0.00 -0.10 0.00 0.00 175.22 176.75 1xiw s ALA 100 N -2.16 3.74 -0.85 5.36 0.00 -0.84 -4.45 121.76 122.56 1xiw s ALA 100 Ca 0.27 -1.81 0.25 0.00 0.00 0.00 0.00 51.96 50.67 1xiw s ALA 100 Cb -0.06 -1.96 0.97 0.00 0.00 0.00 0.00 23.12 22.06 1xiw s ALA 100 CO 0.15 -1.52 1.77 0.41 0.00 0.00 0.00 175.76 176.57 1xiw n GLY 101 N -2.86 -1.44 0.00 0.00 0.00 -1.26 -4.74 105.19 94.89 1xiw n GLY 101 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xiw n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xiw n GLY 102 N 0.96 1.18 2.75 -0.02 0.00 -1.26 -5.02 105.19 103.78 1xiw n GLY 102 Ca 0.05 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 1xiw n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xiw s THR 103 N -2.91 0.37 -0.04 2.61 2.01 0.24 -4.62 115.64 113.31 1xiw s THR 103 Ca 0.00 -0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.69 1xiw s THR 103 Cb 0.00 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1xiw s THR 103 CO 0.00 0.12 0.88 -0.75 -0.69 0.00 0.00 174.62 174.19 1xiw s LYS 104 N 1.96 4.50 -0.13 4.92 2.47 0.99 -0.83 119.74 133.61 1xiw s LYS 104 Ca 0.04 1.22 -0.01 0.00 -1.56 0.00 0.00 55.97 55.66 1xiw s LYS 104 Cb -0.14 -3.47 -0.02 0.00 -1.46 0.00 0.00 37.83 32.75 1xiw s LYS 104 CO -0.06 -0.04 -0.10 -1.17 0.16 0.00 0.00 175.35 174.13 1xiw s LEU 105 N 1.06 2.88 0.01 5.43 2.96 -0.08 0.15 118.68 131.09 1xiw s LEU 105 Ca 0.46 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 1xiw s LEU 105 Cb -0.20 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1xiw s LEU 105 CO 0.23 0.18 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.62 1xiw s GLU 106 N 0.30 1.59 0.00 1.98 2.02 0.31 -3.01 118.70 121.90 1xiw s GLU 106 Ca -0.08 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1xiw s GLU 106 Cb -0.15 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.46 1xiw s GLU 106 CO 0.05 0.43 0.26 -0.89 0.02 0.00 0.00 175.26 175.13