#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyo s ILE 3 N 0.00 1.03 0.62 12.58 -4.36 -0.93 -5.01 121.20 125.12 1xyo s ILE 3 Ca 0.00 -2.03 -0.03 0.00 -0.26 0.00 0.00 60.65 58.33 1xyo s ILE 3 Cb 0.00 -2.42 0.04 0.00 1.25 0.00 0.00 42.46 41.33 1xyo s ILE 3 CO 0.00 -0.26 0.89 -1.10 0.24 0.00 0.00 174.94 174.71 1xyo s GLN 4 N -3.88 2.45 0.50 0.37 -1.52 -1.26 -4.52 119.66 111.80 1xyo s GLN 4 Ca 0.30 -0.46 -0.22 0.00 -1.95 0.00 0.00 55.36 53.03 1xyo s GLN 4 Cb 0.06 -2.33 -0.08 0.00 -0.22 0.00 0.00 33.01 30.44 1xyo s GLN 4 CO 0.10 -0.92 0.97 -2.30 -0.25 0.00 0.00 175.29 172.89 1xyo n PRO 5 N -2.61 1.15 -3.93 2.91 -0.02 -1.26 -4.93 135.00 126.31 1xyo n PRO 5 Ca 0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1xyo n PRO 5 Cb 0.60 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1xyo n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xyo n GLY 6 N 1.25 -2.81 3.32 -1.23 0.00 -0.28 -4.98 105.19 100.45 1xyo n GLY 6 Ca 0.11 -1.31 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 1xyo n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xyo s THR 7 N -2.00 0.74 -5.00 2.61 -4.23 -1.26 -1.00 115.64 105.50 1xyo s THR 7 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1xyo s THR 7 Cb 0.00 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1xyo s THR 7 CO 0.00 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1xyo n GLY 8 N -0.44 -0.61 3.27 3.99 0.00 -0.86 -4.98 105.19 105.58 1xyo n GLY 8 Ca -0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1xyo n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyo s TYR 9 N -2.99 2.21 -0.04 1.61 2.02 -1.26 -0.33 117.35 118.57 1xyo s TYR 9 Ca 0.00 -0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1xyo s TYR 9 Cb 0.00 -1.43 0.03 0.00 -0.40 0.00 0.00 41.96 40.16 1xyo s TYR 9 CO 0.00 -0.08 0.07 1.21 -1.57 0.00 0.00 175.55 175.18 1xyo s ASN 10 N -0.46 0.83 -1.35 2.29 3.84 0.15 -4.88 114.94 115.37 1xyo s ASN 10 Ca 0.06 0.11 -0.09 0.00 0.21 0.00 0.00 52.86 53.15 1xyo s ASN 10 Cb -0.10 -0.06 0.07 0.00 -0.55 0.00 0.00 41.25 40.60 1xyo s ASN 10 CO 0.00 -0.22 0.55 0.59 -2.79 0.00 0.00 177.10 175.23 1xyo n ASN 11 N 5.05 -4.12 0.00 -4.21 3.02 -1.26 -1.11 115.26 112.62 1xyo n ASN 11 Ca -0.09 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1xyo n ASN 11 Cb 0.50 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 1xyo n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xyo n GLY 12 N -1.26 3.46 3.67 7.41 0.00 -1.26 -4.54 105.19 112.67 1xyo n GLY 12 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1xyo n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyo s TYR 13 N -2.98 3.03 0.34 1.61 1.51 -0.27 -5.08 117.35 115.51 1xyo s TYR 13 Ca 0.00 0.04 -0.26 0.00 -1.01 0.00 0.00 57.07 55.84 1xyo s TYR 13 Cb 0.00 -1.63 -0.09 0.00 -0.11 0.00 0.00 41.96 40.13 1xyo s TYR 13 CO 0.00 0.45 1.01 0.12 -1.11 0.00 0.00 175.55 176.02 1xyo s PHE 14 N -1.13 3.52 0.06 2.71 5.36 -0.78 0.33 117.98 128.05 1xyo s PHE 14 Ca 0.21 1.72 0.03 0.00 -0.96 0.00 0.00 56.93 57.92 1xyo s PHE 14 Cb -0.11 -3.06 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 1xyo s PHE 14 CO 0.12 -0.23 -0.08 1.52 -1.46 0.00 0.00 175.22 175.09 1xyo s TYR 15 N -1.55 0.81 -0.02 10.12 -0.85 0.55 -0.58 117.35 125.82 1xyo s TYR 15 Ca 0.52 -0.59 -0.00 0.00 -0.52 0.00 0.00 57.07 56.48 1xyo s TYR 15 Cb -0.22 -0.47 0.03 0.00 0.38 0.00 0.00 41.96 41.68 1xyo s TYR 15 CO 0.28 -0.07 0.03 0.45 -1.52 0.00 0.00 175.55 174.72 1xyo s SER 16 N -1.95 0.16 -0.04 -0.18 0.15 -0.85 -2.02 113.70 108.97 1xyo s SER 16 Ca -0.04 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1xyo s SER 16 Cb -0.07 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1xyo s SER 16 CO -0.00 -0.13 0.00 -0.47 1.20 0.00 0.00 173.24 173.84 1xyo s TYR 17 N 1.11 0.37 0.01 3.44 5.04 -0.17 -1.73 117.35 125.43 1xyo s TYR 17 Ca -0.09 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.53 1xyo s TYR 17 Cb -0.13 -0.48 -0.01 0.00 0.35 0.00 0.00 41.96 41.69 1xyo s TYR 17 CO -0.03 -0.16 -0.03 -0.46 -1.34 0.00 0.00 175.55 173.53 1xyo s TRP 18 N 1.21 0.27 0.10 4.97 -0.00 0.14 -1.12 118.94 124.50 1xyo s TRP 18 Ca -0.07 -0.22 -0.10 0.00 -0.00 0.00 0.00 56.10 55.71 1xyo s TRP 18 Cb -0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 33.47 33.17 1xyo s TRP 18 CO -0.02 -0.06 0.23 0.54 -0.00 0.00 0.00 176.95 177.64 1xyo s ASN 19 N -0.61 0.07 0.00 5.86 2.20 -1.26 -1.06 114.94 120.13 1xyo s ASN 19 Ca -0.05 -0.65 0.23 0.00 -0.94 0.00 0.00 52.86 51.46 1xyo s ASN 19 Cb -0.04 0.37 1.33 0.00 -2.00 0.00 0.00 41.25 40.91 1xyo s ASN 19 CO -0.00 -0.77 1.87 -0.90 -2.94 0.00 0.00 177.10 174.36 1xyo n ASP 20 N -0.10 0.20 0.00 3.54 5.68 -0.52 -4.89 116.55 120.45 1xyo n ASP 20 Ca -0.14 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 1xyo n ASP 20 Cb 0.63 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1xyo n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xyo n GLY 21 N 0.90 0.81 0.23 6.12 0.00 -1.26 -4.94 105.19 107.05 1xyo n GLY 21 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1xyo n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xyo h HIS 22 N 0.00 0.19 0.00 1.61 6.17 -1.91 -3.49 115.15 117.72 1xyo h HIS 22 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1xyo h HIS 22 Cb 0.00 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 29.88 1xyo h HIS 22 CO 0.00 0.36 0.00 0.41 0.71 0.00 0.00 177.93 179.41 1xyo n GLY 23 N -0.80 0.48 0.47 5.26 0.00 -1.26 -4.84 105.19 104.49 1xyo n GLY 23 Ca -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1xyo n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyo n GLY 24 N 0.56 0.87 3.00 -0.02 0.00 -1.26 -3.79 105.19 104.55 1xyo n GLY 24 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1xyo n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyo s VAL 25 N -2.00 0.80 -0.16 1.61 1.01 -1.26 -0.07 120.40 120.33 1xyo s VAL 25 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1xyo s VAL 25 Cb 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.70 1xyo s VAL 25 CO 0.00 0.25 -0.08 -0.89 0.00 0.00 0.00 175.10 174.38 1xyo s THR 26 N 0.22 1.27 -0.13 3.92 2.01 0.18 -5.01 115.64 118.10 1xyo s THR 26 Ca -0.04 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1xyo s THR 26 Cb -0.09 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1xyo s THR 26 CO 0.01 0.23 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.64 1xyo s TYR 27 N 1.58 2.98 -0.06 4.92 6.14 -1.26 -1.23 117.35 130.41 1xyo s TYR 27 Ca 0.02 -0.24 0.01 0.00 0.64 0.00 0.00 57.07 57.49 1xyo s TYR 27 Cb -0.15 -1.88 0.02 0.00 0.42 0.00 0.00 41.96 40.38 1xyo s TYR 27 CO -0.08 0.05 -0.06 0.99 0.64 0.00 0.00 175.55 177.08 1xyo s THR 28 N 0.03 0.76 -0.03 4.34 2.01 0.08 -2.19 115.64 120.63 1xyo s THR 28 Ca -0.01 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.50 1xyo s THR 28 Cb -0.14 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1xyo s THR 28 CO 0.03 0.29 0.90 0.20 -0.69 0.00 0.00 174.62 175.35 1xyo s ASN 29 N 1.11 7.24 0.09 3.53 0.01 -1.26 -0.89 114.94 124.78 1xyo s ASN 29 Ca -0.07 1.50 0.01 0.00 -0.71 0.00 0.00 52.86 53.59 1xyo s ASN 29 Cb -0.14 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1xyo s ASN 29 CO -0.01 -0.24 0.08 0.61 -1.51 0.00 0.00 177.10 176.03 1xyo n GLY 30 N 2.99 2.82 3.76 0.66 0.00 0.53 -4.77 105.19 111.18 1xyo n GLY 30 Ca 0.04 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 1xyo n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xyo s PRO 31 N -2.40 3.17 6.17 1.61 0.04 -1.26 -4.42 135.00 137.91 1xyo s PRO 31 Ca 0.06 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1xyo s PRO 31 Cb -0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1xyo s PRO 31 CO 0.04 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1xyo n GLY 32 N 0.47 3.36 1.70 0.56 0.00 -1.26 -1.48 105.19 108.54 1xyo n GLY 32 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1xyo n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyo n GLY 33 N 0.00 3.18 3.88 -0.02 0.00 -1.26 -4.69 105.19 106.28 1xyo n GLY 33 Ca 0.00 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1xyo n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xyo s GLN 34 N -2.33 3.68 0.02 1.61 0.74 -0.55 -0.65 119.66 122.18 1xyo s GLN 34 Ca 0.40 0.05 -0.10 0.00 0.05 0.00 0.00 55.36 55.77 1xyo s GLN 34 Cb 0.32 -2.99 0.01 0.00 1.10 0.00 0.00 33.01 31.45 1xyo s GLN 34 CO 0.10 0.56 0.21 -0.59 -0.55 0.00 0.00 175.29 175.02 1xyo s PHE 35 N -1.43 -0.01 0.06 1.67 -0.71 -0.25 -0.35 117.98 116.96 1xyo s PHE 35 Ca 0.33 -0.10 0.05 0.00 -1.04 0.00 0.00 56.93 56.17 1xyo s PHE 35 Cb -0.13 -0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.65 1xyo s PHE 35 CO 0.19 -0.38 -0.14 -1.12 -1.34 0.00 0.00 175.22 172.43 1xyo s SER 36 N -1.69 1.60 -0.01 1.98 0.01 -0.07 -1.38 113.70 114.13 1xyo s SER 36 Ca -0.10 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1xyo s SER 36 Cb -0.04 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1xyo s SER 36 CO -0.00 -0.04 0.02 -0.69 0.41 0.00 0.00 173.24 172.94 1xyo s VAL 37 N -1.09 -0.03 -0.07 3.43 1.01 -0.54 -0.74 120.40 122.37 1xyo s VAL 37 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1xyo s VAL 37 Cb -0.09 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.24 1xyo s VAL 37 CO 0.02 0.06 -0.10 0.20 0.00 0.00 0.00 175.10 175.28 1xyo s ASN 38 N 0.72 1.73 0.03 3.32 0.01 -0.37 -1.17 114.94 119.21 1xyo s ASN 38 Ca -0.06 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 51.83 1xyo s ASN 38 Cb -0.09 -0.77 -0.02 0.00 0.41 0.00 0.00 41.25 40.79 1xyo s ASN 38 CO -0.02 -0.02 -0.05 -1.66 -1.51 0.00 0.00 177.10 173.84 1xyo s TRP 39 N 0.95 0.42 -0.18 2.20 -2.14 -0.27 -0.65 118.94 119.28 1xyo s TRP 39 Ca -0.09 -0.48 -0.04 0.00 2.66 0.00 0.00 56.10 58.15 1xyo s TRP 39 Cb -0.15 -0.27 0.09 0.00 -3.10 0.00 0.00 33.47 30.04 1xyo s TRP 39 CO 0.00 -0.13 0.25 0.45 -2.66 0.00 0.00 176.95 174.86 1xyo s SER 40 N -1.39 0.89 -1.28 -2.66 0.15 0.90 -1.14 113.70 109.17 1xyo s SER 40 Ca -0.12 0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.53 1xyo s SER 40 Cb -0.09 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1xyo s SER 40 CO -0.00 -0.29 0.60 0.59 1.20 0.00 0.00 173.24 175.34 1xyo n ASN 41 N 5.33 -2.65 -2.48 5.45 3.02 -0.22 -4.52 115.26 119.20 1xyo n ASN 41 Ca -0.05 -1.02 -0.07 0.00 -0.03 0.00 0.00 54.58 53.41 1xyo n ASN 41 Cb 0.50 -3.18 0.05 0.00 -0.61 0.00 0.00 39.78 36.54 1xyo n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xyo n SER 42 N -2.82 0.02 0.00 6.41 3.41 -0.48 -4.64 113.62 115.53 1xyo n SER 42 Ca -0.21 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1xyo n SER 42 Cb 0.64 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1xyo n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xyo n GLY 43 N 2.80 2.86 3.69 5.00 0.00 -1.25 -3.70 105.19 114.59 1xyo n GLY 43 Ca 0.04 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 1xyo n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xyo s ASN 44 N 0.07 5.96 0.10 1.61 3.04 -1.26 -0.43 114.94 124.03 1xyo s ASN 44 Ca 0.00 0.17 -0.16 0.00 0.04 0.00 0.00 52.86 52.91 1xyo s ASN 44 Cb 0.00 -2.04 0.03 0.00 -1.54 0.00 0.00 41.25 37.71 1xyo s ASN 44 CO 0.00 0.18 0.38 0.72 -3.04 0.00 0.00 177.10 175.34 1xyo s PHE 45 N 0.36 -0.18 -0.18 0.43 -0.12 -0.82 -1.44 117.98 116.03 1xyo s PHE 45 Ca 0.06 -0.07 -0.11 0.00 -0.05 0.00 0.00 56.93 56.76 1xyo s PHE 45 Cb -0.12 0.21 0.06 0.00 -0.63 0.00 0.00 43.02 42.55 1xyo s PHE 45 CO -0.01 -0.65 0.44 0.08 -0.05 0.00 0.00 175.22 175.03 1xyo s VAL 46 N -3.44 -0.02 0.04 -2.49 1.01 -0.23 -1.57 120.40 113.71 1xyo s VAL 46 Ca 0.01 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1xyo s VAL 46 Cb 0.01 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1xyo s VAL 46 CO -0.09 0.03 0.52 -0.83 0.00 0.00 0.00 175.10 174.72 1xyo s GLY 47 N 1.24 -0.42 0.00 4.51 0.00 -0.98 -0.69 107.32 110.98 1xyo s GLY 47 Ca -0.08 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1xyo s GLY 47 CO -0.11 0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.91 1xyo n GLY 48 N 0.46 -1.03 3.48 0.20 0.00 -0.71 -1.28 105.19 106.30 1xyo n GLY 48 Ca -0.18 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 1xyo n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xyo s LYS 49 N -2.00 1.70 0.00 1.61 1.02 -1.04 -2.00 119.74 119.03 1xyo s LYS 49 Ca 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.42 1xyo s LYS 49 Cb 0.00 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1xyo s LYS 49 CO 0.00 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1xyo n GLY 50 N -0.16 -0.39 3.20 -3.33 0.00 0.25 -0.98 105.19 103.78 1xyo n GLY 50 Ca -0.09 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1xyo n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xyo s TRP 51 N 0.00 1.03 -0.29 1.61 0.51 0.46 -1.87 118.94 120.39 1xyo s TRP 51 Ca 0.00 -0.88 0.03 0.00 -2.12 0.00 0.00 56.10 53.12 1xyo s TRP 51 Cb 0.00 -0.57 0.18 0.00 -0.81 0.00 0.00 33.47 32.27 1xyo s TRP 51 CO 0.00 -0.09 0.49 -1.14 -0.51 0.00 0.00 176.95 175.70 1xyo s GLN 52 N -3.82 0.48 0.55 4.98 2.00 -1.26 -1.01 119.66 121.57 1xyo s GLN 52 Ca 0.14 0.41 -0.04 0.00 -2.00 0.00 0.00 55.36 53.88 1xyo s GLN 52 Cb 0.05 -0.02 0.01 0.00 0.80 0.00 0.00 33.01 33.84 1xyo s GLN 52 CO -0.02 -0.97 0.83 -1.25 -0.50 0.00 0.00 175.29 173.38 1xyo s PRO 53 N 2.69 2.93 0.64 1.67 0.04 -1.26 -5.02 135.00 136.67 1xyo s PRO 53 Ca 0.11 -0.19 -0.07 0.00 0.04 0.00 0.00 61.00 60.89 1xyo s PRO 53 Cb -0.12 -2.37 0.14 0.00 0.04 0.00 0.00 34.50 32.19 1xyo s PRO 53 CO -0.26 -0.58 0.87 0.41 0.04 0.00 0.00 177.00 177.47 1xyo n GLY 54 N -2.43 -0.47 3.26 0.56 0.00 -0.06 -4.88 105.19 101.17 1xyo n GLY 54 Ca 0.04 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 1xyo n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xyo s THR 55 N -2.72 0.65 -2.20 2.61 -4.23 -1.26 -4.78 115.64 103.70 1xyo s THR 55 Ca 0.52 -1.99 0.18 0.00 -1.18 0.00 0.00 61.69 59.23 1xyo s THR 55 Cb -0.02 -2.25 0.43 0.00 1.34 0.00 0.00 72.50 72.00 1xyo s THR 55 CO 0.36 -0.36 1.49 0.29 -0.54 0.00 0.00 174.62 175.86 1xyo n LYS 56 N -0.30 1.70 0.00 3.99 5.02 -1.26 -3.89 118.16 123.43 1xyo n LYS 56 Ca -0.05 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.17 1xyo n LYS 56 Cb 0.64 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1xyo n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xyo n ASN 57 N 0.30 0.53 -4.76 4.39 0.23 -1.26 -3.58 115.26 111.12 1xyo n ASN 57 Ca 0.15 -1.26 -0.41 0.00 -0.53 0.00 0.00 54.58 52.52 1xyo n ASN 57 Cb 0.31 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.99 1xyo n ASN 57 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1xyo s LYS 58 N -0.26 4.27 -0.30 -3.83 2.20 -1.25 -4.67 119.74 115.89 1xyo s LYS 58 Ca 0.00 2.32 -0.09 0.00 -0.36 0.00 0.00 55.97 57.84 1xyo s LYS 58 Cb 0.00 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1xyo s LYS 58 CO 0.00 -0.37 0.13 0.08 -0.36 0.00 0.00 175.35 174.83 1xyo s VAL 59 N -0.51 4.49 -0.17 4.02 1.01 -1.26 -1.93 120.40 126.04 1xyo s VAL 59 Ca 0.55 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 1xyo s VAL 59 Cb -0.42 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1xyo s VAL 59 CO 0.49 0.11 0.10 -0.63 0.00 0.00 0.00 175.10 175.18 1xyo s ILE 60 N 1.60 5.18 -0.07 2.22 1.01 0.32 -4.91 121.20 126.55 1xyo s ILE 60 Ca 0.05 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1xyo s ILE 60 Cb -0.17 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1xyo s ILE 60 CO 0.05 0.49 -0.09 0.20 0.00 0.00 0.00 174.94 175.59 1xyo s ASN 61 N 0.01 4.43 -0.02 3.58 0.01 -0.60 0.08 114.94 122.44 1xyo s ASN 61 Ca 0.08 -0.10 -0.09 0.00 -0.71 0.00 0.00 52.86 52.04 1xyo s ASN 61 Cb -0.12 -1.15 0.01 0.00 0.41 0.00 0.00 41.25 40.41 1xyo s ASN 61 CO 0.00 0.33 0.18 0.72 -1.51 0.00 0.00 177.10 176.82 1xyo s PHE 62 N -0.62 -0.06 0.12 2.20 -0.71 -0.35 -1.69 117.98 116.87 1xyo s PHE 62 Ca 0.09 0.09 -0.16 0.00 -1.04 0.00 0.00 56.93 55.91 1xyo s PHE 62 Cb -0.11 0.01 0.03 0.00 -1.21 0.00 0.00 43.02 41.74 1xyo s PHE 62 CO 0.02 -0.27 0.40 -1.54 -1.34 0.00 0.00 175.22 172.49 1xyo s SER 63 N -1.04 -0.23 0.00 1.98 1.04 -0.55 -0.70 113.70 114.20 1xyo s SER 63 Ca -0.11 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1xyo s SER 63 Cb -0.06 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1xyo s SER 63 CO 0.02 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1xyo n GLY 64 N -0.18 0.76 3.39 7.32 0.00 -1.23 -0.72 105.19 114.53 1xyo n GLY 64 Ca -0.16 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1xyo n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyo s SER 65 N -4.00 3.91 -0.21 1.61 1.04 -0.08 -4.74 113.70 111.22 1xyo s SER 65 Ca 0.00 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 1xyo s SER 65 Cb 0.00 -1.27 0.06 0.00 0.10 0.00 0.00 66.02 64.91 1xyo s SER 65 CO 0.00 0.24 -0.02 -0.47 0.98 0.00 0.00 173.24 173.97 1xyo s TYR 66 N -0.08 1.74 -0.61 5.02 5.04 -1.26 -0.50 117.35 126.70 1xyo s TYR 66 Ca -0.03 -1.31 0.05 0.00 -2.44 0.00 0.00 57.07 53.35 1xyo s TYR 66 Cb -0.14 -1.32 0.19 0.00 0.35 0.00 0.00 41.96 41.05 1xyo s TYR 66 CO 0.04 -0.69 0.52 0.09 -1.34 0.00 0.00 175.55 174.17 1xyo n ASN 67 N 4.85 2.24 -4.77 4.32 4.13 0.61 -5.01 115.26 121.63 1xyo n ASN 67 Ca -0.11 -3.05 -0.38 0.00 1.68 0.00 0.00 54.58 52.73 1xyo n ASN 67 Cb 0.46 -0.69 -0.04 0.00 -1.54 0.00 0.00 39.78 37.97 1xyo n ASN 67 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1xyo s PRO 68 N -1.34 4.30 -0.59 3.52 0.04 -1.26 -1.78 135.00 137.88 1xyo s PRO 68 Ca 0.30 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.03 1xyo s PRO 68 Cb 0.03 -2.75 0.21 0.00 0.04 0.00 0.00 34.50 32.03 1xyo s PRO 68 CO -0.14 -0.05 0.57 -1.71 0.04 0.00 0.00 177.00 175.71 1xyo n ASN 69 N 0.33 2.38 0.00 6.66 5.15 0.13 -4.92 115.26 124.98 1xyo n ASN 69 Ca 0.03 -3.10 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 1xyo n ASN 69 Cb 0.48 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.05 1xyo n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xyo n GLY 70 N 1.59 0.37 3.63 8.20 0.00 -1.26 -2.28 105.19 115.44 1xyo n GLY 70 Ca 0.25 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1xyo n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xyo s ASN 71 N -4.00 6.32 -0.18 1.61 3.04 -1.26 -2.29 114.94 118.18 1xyo s ASN 71 Ca 0.00 1.77 -0.33 0.00 0.04 0.00 0.00 52.86 54.34 1xyo s ASN 71 Cb 0.00 -2.53 0.14 0.00 -1.54 0.00 0.00 41.25 37.32 1xyo s ASN 71 CO 0.00 -1.28 1.17 -0.55 -3.04 0.00 0.00 177.10 173.40 1xyo s SER 72 N 4.54 -0.18 0.01 -4.21 0.15 -1.26 -1.49 113.70 111.27 1xyo s SER 72 Ca 0.75 0.06 -0.17 0.00 0.70 0.00 0.00 55.95 57.30 1xyo s SER 72 Cb -0.28 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.24 1xyo s SER 72 CO 0.31 -0.26 0.36 -0.72 1.20 0.00 0.00 173.24 174.13 1xyo s TYR 73 N -2.08 -0.22 -0.17 3.44 -0.85 -0.85 0.03 117.35 116.64 1xyo s TYR 73 Ca 0.07 0.27 -0.01 0.00 -0.52 0.00 0.00 57.07 56.87 1xyo s TYR 73 Cb -0.01 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.47 1xyo s TYR 73 CO -0.05 -0.47 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.24 1xyo s LEU 74 N -1.63 2.72 0.20 -3.49 2.96 0.07 -0.34 118.68 119.17 1xyo s LEU 74 Ca -0.10 -0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 53.22 1xyo s LEU 74 Cb -0.03 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 45.06 1xyo s LEU 74 CO 0.02 0.07 0.61 -0.94 -1.32 0.00 0.00 176.35 174.79 1xyo s SER 75 N 0.89 -0.39 -0.01 3.68 1.04 -0.43 -1.04 113.70 117.44 1xyo s SER 75 Ca -0.03 -0.30 -0.27 0.00 0.48 0.00 0.00 55.95 55.83 1xyo s SER 75 Cb -0.15 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1xyo s SER 75 CO -0.00 -1.10 0.84 -0.69 0.98 0.00 0.00 173.24 173.27 1xyo s VAL 76 N -3.83 4.89 -0.04 5.02 1.01 0.48 -0.55 120.40 127.39 1xyo s VAL 76 Ca 0.06 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.81 1xyo s VAL 76 Cb -0.02 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1xyo s VAL 76 CO -0.05 0.24 -0.06 -0.47 0.00 0.00 0.00 175.10 174.76 1xyo s TYR 77 N 0.70 0.78 0.33 5.22 5.04 0.98 -0.74 117.35 129.65 1xyo s TYR 77 Ca 0.44 -0.21 -0.18 0.00 -2.44 0.00 0.00 57.07 54.68 1xyo s TYR 77 Cb -0.20 -0.64 0.06 0.00 0.35 0.00 0.00 41.96 41.53 1xyo s TYR 77 CO 0.23 -0.15 0.87 0.20 -1.34 0.00 0.00 175.55 175.36 1xyo s GLY 78 N 0.64 0.30 0.13 8.97 0.00 -0.89 -0.77 107.32 115.70 1xyo s GLY 78 Ca -0.09 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.04 1xyo s GLY 78 CO 0.00 0.53 -0.10 -0.98 0.00 0.00 0.00 173.10 172.56 1xyo s TRP 79 N -2.25 1.17 0.07 1.90 0.52 -0.99 -1.36 118.94 118.00 1xyo s TRP 79 Ca 0.17 -0.76 0.04 0.00 0.02 0.00 0.00 56.10 55.58 1xyo s TRP 79 Cb -0.04 -0.61 -0.03 0.00 -1.15 0.00 0.00 33.47 31.64 1xyo s TRP 79 CO 0.10 0.03 -0.12 0.45 0.02 0.00 0.00 176.95 177.42 1xyo s SER 80 N -2.99 1.46 0.06 2.95 0.15 -0.40 -0.96 113.70 113.96 1xyo s SER 80 Ca 0.14 -0.62 0.09 0.00 0.70 0.00 0.00 55.95 56.25 1xyo s SER 80 Cb 0.02 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1xyo s SER 80 CO -0.00 -0.13 -0.25 -0.13 1.20 0.00 0.00 173.24 173.93 1xyo s ARG 81 N -1.81 1.60 -0.80 5.44 0.52 0.77 -1.99 118.95 122.67 1xyo s ARG 81 Ca -0.03 -1.12 -0.00 0.00 -0.52 0.00 0.00 55.73 54.06 1xyo s ARG 81 Cb -0.09 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.55 1xyo s ARG 81 CO 0.02 0.46 0.64 0.09 0.02 0.00 0.00 175.30 176.53 1xyo n ASN 82 N 1.59 -6.00 -4.84 0.23 3.02 -1.26 -1.10 115.26 106.90 1xyo n ASN 82 Ca -0.17 -0.62 -0.32 0.00 -0.03 0.00 0.00 54.58 53.44 1xyo n ASN 82 Cb 0.52 -3.11 -0.01 0.00 -0.61 0.00 0.00 39.78 36.58 1xyo n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xyo s PRO 83 N -4.21 3.67 -0.28 3.52 0.04 -1.26 -3.95 135.00 132.53 1xyo s PRO 83 Ca 0.01 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 1xyo s PRO 83 Cb -0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1xyo s PRO 83 CO 0.84 -0.51 1.09 -1.17 0.04 0.00 0.00 177.00 177.29 1xyo s LEU 84 N -4.48 4.00 -0.00 -3.56 2.96 -1.26 -4.60 118.68 111.74 1xyo s LEU 84 Ca 0.59 1.21 -0.01 0.00 -0.22 0.00 0.00 54.13 55.70 1xyo s LEU 84 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1xyo s LEU 84 CO 0.38 -0.82 0.02 -0.63 -1.32 0.00 0.00 176.35 173.98 1xyo s ILE 85 N 3.54 0.01 -0.13 6.68 -1.09 -0.84 -3.88 121.20 125.49 1xyo s ILE 85 Ca 0.46 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.82 1xyo s ILE 85 Cb -0.14 -0.05 -0.01 0.00 -1.58 0.00 0.00 42.46 40.68 1xyo s ILE 85 CO 0.13 -0.04 -0.17 -0.70 -1.23 0.00 0.00 174.94 172.93 1xyo s GLU 86 N -0.11 3.24 0.12 2.79 2.12 -0.94 -1.28 118.70 124.64 1xyo s GLU 86 Ca -0.01 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.60 1xyo s GLU 86 Cb -0.01 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 1xyo s GLU 86 CO -0.00 0.15 -0.12 1.52 -0.54 0.00 0.00 175.26 176.27 1xyo s TYR 87 N 0.48 1.25 -0.01 5.30 -0.85 -0.46 -0.88 117.35 122.18 1xyo s TYR 87 Ca -0.12 -0.63 -0.00 0.00 -0.52 0.00 0.00 57.07 55.80 1xyo s TYR 87 Cb -0.16 -0.66 0.02 0.00 0.38 0.00 0.00 41.96 41.53 1xyo s TYR 87 CO 0.05 0.08 0.03 0.71 -1.52 0.00 0.00 175.55 174.90 1xyo s TYR 88 N -2.45 -0.00 -0.43 -3.49 1.51 -0.06 -2.09 117.35 110.33 1xyo s TYR 88 Ca 0.09 0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 1xyo s TYR 88 Cb -0.03 -0.11 0.12 0.00 -0.11 0.00 0.00 41.96 41.83 1xyo s TYR 88 CO 0.02 -0.05 0.16 0.42 -1.11 0.00 0.00 175.55 174.99 1xyo s ILE 89 N 0.55 2.55 -0.35 2.71 1.01 0.08 -1.08 121.20 126.68 1xyo s ILE 89 Ca -0.04 -2.74 -0.28 0.00 0.00 0.00 0.00 60.65 57.58 1xyo s ILE 89 Cb -0.06 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1xyo s ILE 89 CO -0.02 -0.70 1.04 -0.69 0.00 0.00 0.00 174.94 174.57 1xyo s VAL 90 N 0.40 4.50 -0.13 2.92 1.01 0.56 -0.38 120.40 129.27 1xyo s VAL 90 Ca 0.13 1.52 0.18 0.00 0.00 0.00 0.00 61.98 63.82 1xyo s VAL 90 Cb -0.22 -4.41 -0.14 0.00 0.00 0.00 0.00 36.38 31.61 1xyo s VAL 90 CO -0.04 -0.55 0.78 -0.62 0.00 0.00 0.00 175.10 174.67 1xyo n GLU 91 N 6.94 0.63 -3.52 2.72 -0.58 -0.21 -1.13 120.64 125.49 1xyo n GLU 91 Ca 0.10 0.17 -0.14 0.00 -0.42 0.00 0.00 57.16 56.88 1xyo n GLU 91 Cb 0.48 -1.78 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 1xyo n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1xyo s ASN 92 N -5.64 -0.53 0.12 1.62 3.04 -1.11 -1.72 114.94 110.71 1xyo s ASN 92 Ca -0.03 0.47 -0.14 0.00 0.04 0.00 0.00 52.86 53.19 1xyo s ASN 92 Cb 0.09 0.46 0.02 0.00 -1.54 0.00 0.00 41.25 40.28 1xyo s ASN 92 CO 0.82 -0.57 0.35 0.72 -3.04 0.00 0.00 177.10 175.37 1xyo s PHE 93 N -1.66 -0.10 0.00 0.43 -0.12 -1.26 -0.75 117.98 114.51 1xyo s PHE 93 Ca -0.05 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 1xyo s PHE 93 Cb -0.00 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.56 1xyo s PHE 93 CO 0.03 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 174.94 1xyo n GLY 94 N -0.19 1.36 0.15 1.99 0.00 0.10 -4.90 105.19 103.70 1xyo n GLY 94 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1xyo n GLY 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xyo h THR 95 N 0.00 0.00 -3.32 2.61 1.35 -1.73 -3.46 112.91 108.37 1xyo h THR 95 Ca 0.00 -0.85 -0.62 0.00 -0.55 0.00 0.00 66.41 64.39 1xyo h THR 95 Cb 0.00 1.63 -0.34 0.00 -1.73 0.00 0.00 68.15 67.71 1xyo h THR 95 CO 0.00 0.00 -0.85 -0.47 -0.25 0.00 0.00 175.52 173.95 1xyo s TYR 96 N -3.24 2.18 -0.31 4.73 5.04 -1.26 -5.00 117.35 119.49 1xyo s TYR 96 Ca 0.05 -0.95 -0.29 0.00 -2.44 0.00 0.00 57.07 53.44 1xyo s TYR 96 Cb 0.09 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.89 1xyo s TYR 96 CO 0.71 -0.43 1.34 1.21 -1.34 0.00 0.00 175.55 177.03 1xyo s ASN 97 N 0.66 6.60 0.00 4.32 3.84 -1.26 -4.77 114.94 124.33 1xyo s ASN 97 Ca -0.13 1.19 0.05 0.00 0.21 0.00 0.00 52.86 54.18 1xyo s ASN 97 Cb -0.16 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.23 1xyo s ASN 97 CO 0.03 -1.15 1.16 -0.81 -2.79 0.00 0.00 177.10 173.55 1xyo n PRO 98 N 7.45 0.01 0.00 0.43 -0.04 -1.26 -1.84 135.00 139.75 1xyo n PRO 98 Ca 0.15 0.40 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 1xyo n PRO 98 Cb 0.47 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.90 1xyo n PRO 98 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xyo n SER 99 N -1.49 1.14 -4.66 3.54 3.41 -1.26 -4.92 113.62 109.38 1xyo n SER 99 Ca 0.01 -1.11 -0.50 0.00 -0.26 0.00 0.00 58.87 57.02 1xyo n SER 99 Cb 0.06 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1xyo n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xyo n THR 100 N -0.35 0.17 0.00 6.66 -1.04 -0.77 -0.92 114.28 118.04 1xyo n THR 100 Ca 0.15 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1xyo n THR 100 Cb 0.34 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1xyo n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xyo n GLY 101 N 3.52 3.40 3.87 3.41 0.00 -1.26 -5.05 105.19 113.08 1xyo n GLY 101 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1xyo n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyo s ALA 102 N -2.62 3.14 -0.18 4.61 0.00 -0.09 -5.03 121.76 121.59 1xyo s ALA 102 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 1xyo s ALA 102 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1xyo s ALA 102 CO 0.00 -0.61 0.60 0.99 0.00 0.00 0.00 175.76 176.74 1xyo s THR 103 N -3.08 5.05 -0.11 0.00 2.01 -0.60 -4.85 115.64 114.06 1xyo s THR 103 Ca 0.54 1.15 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 1xyo s THR 103 Cb -0.11 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 1xyo s THR 103 CO 0.51 0.15 1.18 -0.75 -0.69 0.00 0.00 174.62 175.02 1xyo s LYS 104 N 1.66 4.32 -0.06 4.92 2.20 -1.26 -1.20 119.74 130.31 1xyo s LYS 104 Ca 0.28 1.61 0.18 0.00 -0.36 0.00 0.00 55.97 57.68 1xyo s LYS 104 Cb -0.16 -3.62 -0.22 0.00 -1.51 0.00 0.00 37.83 32.32 1xyo s LYS 104 CO 0.11 -0.52 0.47 1.28 -0.36 0.00 0.00 175.35 176.32 1xyo n LEU 105 N 5.68 0.38 0.00 5.43 4.77 0.87 -4.96 117.00 129.17 1xyo n LEU 105 Ca 0.12 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1xyo n LEU 105 Cb 0.46 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1xyo n LEU 105 CO 0.55 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1xyo n GLY 106 N 1.52 -0.50 3.03 -0.72 0.00 -1.18 -5.01 105.19 102.33 1xyo n GLY 106 Ca -0.18 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 1xyo n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xyo s GLU 107 N -1.91 0.43 -0.02 1.61 2.02 -1.26 0.02 118.70 119.60 1xyo s GLU 107 Ca 0.00 -0.82 -0.05 0.00 0.02 0.00 0.00 54.97 54.12 1xyo s GLU 107 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.39 1xyo s GLU 107 CO 0.00 -0.08 0.11 0.54 0.02 0.00 0.00 175.26 175.85 1xyo s VAL 108 N -2.37 0.04 -0.19 2.63 0.11 -0.71 -4.97 120.40 114.95 1xyo s VAL 108 Ca -0.07 -0.37 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 1xyo s VAL 108 Cb -0.03 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1xyo s VAL 108 CO -0.04 -0.20 0.08 -0.89 -3.33 0.00 0.00 175.10 170.71 1xyo s THR 109 N -0.65 4.83 -0.20 5.04 2.01 -1.26 -0.15 115.64 125.25 1xyo s THR 109 Ca -0.07 -0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 1xyo s THR 109 Cb -0.04 -3.19 0.06 0.00 0.01 0.00 0.00 72.50 69.33 1xyo s THR 109 CO 0.01 0.44 0.61 -0.55 -0.69 0.00 0.00 174.62 174.43 1xyo s SER 110 N 0.54 -0.62 -1.61 3.53 0.15 -0.15 -4.98 113.70 110.56 1xyo s SER 110 Ca 0.04 1.13 -0.14 0.00 0.70 0.00 0.00 55.95 57.68 1xyo s SER 110 Cb -0.13 1.14 0.11 0.00 -1.71 0.00 0.00 66.02 65.44 1xyo s SER 110 CO 0.01 -0.26 0.78 0.47 1.20 0.00 0.00 173.24 175.44 1xyo n ASP 111 N 2.51 -3.17 0.00 5.45 8.00 -1.26 -1.83 116.55 126.24 1xyo n ASP 111 Ca -0.15 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1xyo n ASP 111 Cb 0.56 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.54 1xyo n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xyo n GLY 112 N -1.57 0.76 3.25 0.44 0.00 -1.26 -4.98 105.19 101.83 1xyo n GLY 112 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1xyo n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xyo s SER 113 N -2.67 -0.09 0.22 1.61 0.15 -0.76 -4.98 113.70 107.18 1xyo s SER 113 Ca 0.00 -0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.13 1xyo s SER 113 Cb 0.00 0.37 -0.08 0.00 -1.71 0.00 0.00 66.02 64.60 1xyo s SER 113 CO 0.00 -0.68 0.75 -0.69 1.20 0.00 0.00 173.24 173.82 1xyo s VAL 114 N -3.04 4.51 0.02 4.45 1.01 -1.26 -0.97 120.40 125.11 1xyo s VAL 114 Ca -0.02 1.39 0.08 0.00 0.00 0.00 0.00 61.98 63.43 1xyo s VAL 114 Cb 0.01 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1xyo s VAL 114 CO -0.06 0.25 -0.23 -0.31 0.00 0.00 0.00 175.10 174.75 1xyo s TYR 115 N -1.47 2.01 -0.15 5.22 1.51 0.78 -1.36 117.35 123.89 1xyo s TYR 115 Ca 0.42 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.99 1xyo s TYR 115 Cb -0.18 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.39 1xyo s TYR 115 CO 0.22 0.05 0.22 -0.51 -1.11 0.00 0.00 175.55 174.41 1xyo s ASP 116 N -0.91 6.39 -0.15 2.29 1.01 -0.57 -1.73 116.67 122.99 1xyo s ASP 116 Ca 0.09 0.45 -0.07 0.00 0.71 0.00 0.00 52.55 53.73 1xyo s ASP 116 Cb -0.09 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1xyo s ASP 116 CO 0.01 0.21 0.10 -0.63 0.21 0.00 0.00 175.17 175.07 1xyo s ILE 117 N -0.03 5.18 0.17 0.77 1.01 0.10 -0.69 121.20 127.71 1xyo s ILE 117 Ca 0.14 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 1xyo s ILE 117 Cb -0.12 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1xyo s ILE 117 CO 0.03 0.54 0.07 -0.31 0.00 0.00 0.00 174.94 175.27 1xyo s TYR 118 N -0.37 1.05 -0.06 3.97 1.51 -0.51 -0.09 117.35 122.86 1xyo s TYR 118 Ca 0.10 -1.23 -0.24 0.00 -1.01 0.00 0.00 57.07 54.70 1xyo s TYR 118 Cb -0.12 -0.57 0.05 0.00 -0.11 0.00 0.00 41.96 41.21 1xyo s TYR 118 CO 0.01 -0.48 0.53 -0.98 -1.11 0.00 0.00 175.55 173.52 1xyo s ARG 119 N -4.05 0.87 -0.04 -0.62 1.70 -0.34 -1.43 118.95 115.04 1xyo s ARG 119 Ca 0.29 0.15 -0.22 0.00 -0.47 0.00 0.00 55.73 55.48 1xyo s ARG 119 Cb 0.07 0.40 0.05 0.00 -0.57 0.00 0.00 34.95 34.90 1xyo s ARG 119 CO 0.06 -0.25 0.49 -0.08 -1.08 0.00 0.00 175.30 174.43 1xyo s THR 120 N -1.07 0.03 -0.08 4.99 -1.32 -0.62 -1.56 115.64 116.00 1xyo s THR 120 Ca -0.11 -0.23 -0.12 0.00 -1.21 0.00 0.00 61.69 60.02 1xyo s THR 120 Cb -0.02 -0.79 -0.05 0.00 -1.51 0.00 0.00 72.50 70.13 1xyo s THR 120 CO 0.07 -0.13 0.30 -1.58 -2.21 0.00 0.00 174.62 171.07 1xyo s GLN 121 N -1.15 3.89 -0.22 7.08 0.74 -1.26 0.17 119.66 128.90 1xyo s GLN 121 Ca -0.11 0.17 -0.05 0.00 0.05 0.00 0.00 55.36 55.42 1xyo s GLN 121 Cb -0.03 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.79 1xyo s GLN 121 CO 0.07 0.57 -0.02 1.03 -0.55 0.00 0.00 175.29 176.39 1xyo s ARG 122 N -0.57 3.45 -0.21 1.67 1.81 0.55 -4.95 118.95 120.69 1xyo s ARG 122 Ca 0.19 -0.59 -0.08 0.00 -1.72 0.00 0.00 55.73 53.54 1xyo s ARG 122 Cb -0.14 -3.07 -0.04 0.00 -0.45 0.00 0.00 34.95 31.26 1xyo s ARG 122 CO 0.08 -0.16 0.07 0.08 -0.68 0.00 0.00 175.30 174.69 1xyo s VAL 123 N 1.43 4.63 -1.42 3.52 1.01 -1.26 -1.51 120.40 126.79 1xyo s VAL 123 Ca 0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1xyo s VAL 123 Cb -0.14 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1xyo s VAL 123 CO -0.01 0.40 0.84 0.59 0.00 0.00 0.00 175.10 176.91 1xyo n ASN 124 N 4.19 -3.00 -4.86 3.32 3.02 -0.89 -4.95 115.26 112.08 1xyo n ASN 124 Ca -0.16 -0.80 -0.25 0.00 -0.03 0.00 0.00 54.58 53.34 1xyo n ASN 124 Cb 0.52 -3.95 -0.04 0.00 -0.61 0.00 0.00 39.78 35.69 1xyo n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1xyo s GLN 125 N -6.32 3.10 0.57 3.52 -1.52 -0.09 -4.65 119.66 114.27 1xyo s GLN 125 Ca 0.34 -0.81 -0.20 0.00 -1.95 0.00 0.00 55.36 52.74 1xyo s GLN 125 Cb -0.17 -2.75 -0.04 0.00 -0.22 0.00 0.00 33.01 29.83 1xyo s GLN 125 CO 0.82 0.48 1.27 -2.14 -0.25 0.00 0.00 175.29 175.48 1xyo s PRO 126 N -3.32 3.06 0.36 2.91 0.02 -1.26 -0.92 135.00 135.85 1xyo s PRO 126 Ca 0.32 2.02 -0.10 0.00 0.02 0.00 0.00 61.00 63.26 1xyo s PRO 126 Cb -0.10 -2.10 0.03 0.00 0.02 0.00 0.00 34.50 32.35 1xyo s PRO 126 CO 0.26 -1.19 0.63 -1.54 -0.33 0.00 0.00 177.00 174.83 1xyo s SER 127 N -1.29 0.40 0.01 2.53 1.04 -0.79 -4.82 113.70 110.78 1xyo s SER 127 Ca 0.74 -1.27 0.08 0.00 0.48 0.00 0.00 55.95 55.98 1xyo s SER 127 Cb -0.35 0.75 0.33 0.00 0.10 0.00 0.00 66.02 66.85 1xyo s SER 127 CO 0.40 -1.48 1.25 2.30 0.98 0.00 0.00 173.24 176.68 1xyo n ILE 128 N -0.54 1.48 -0.13 -1.02 -5.35 -1.26 -1.95 119.36 110.59 1xyo n ILE 128 Ca -0.04 0.38 0.02 0.00 -0.27 0.00 0.00 62.75 62.83 1xyo n ILE 128 Cb 0.61 -1.25 0.03 0.00 -1.74 0.00 0.00 39.64 37.28 1xyo n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1xyo n ILE 129 N -1.52 1.11 0.00 7.28 -5.35 -1.26 -5.11 119.36 114.50 1xyo n ILE 129 Ca 0.02 -1.14 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 1xyo n ILE 129 Cb 0.09 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1xyo n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xyo n GLY 130 N -0.52 -0.84 3.71 3.28 0.00 -0.82 -4.96 105.19 105.03 1xyo n GLY 130 Ca 0.03 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 1xyo n GLY 130 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xyo s THR 131 N -0.14 2.70 0.34 2.61 -1.32 -1.26 -1.88 115.64 116.69 1xyo s THR 131 Ca 0.00 0.41 -0.15 0.00 -1.21 0.00 0.00 61.69 60.74 1xyo s THR 131 Cb 0.00 -3.26 0.03 0.00 -1.51 0.00 0.00 72.50 67.76 1xyo s THR 131 CO 0.00 0.02 0.69 0.00 -2.21 0.00 0.00 174.62 173.12 1xyo s ALA 132 N 1.69 -0.58 -0.12 11.08 0.00 -0.09 -4.88 121.76 128.85 1xyo s ALA 132 Ca 0.72 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1xyo s ALA 132 Cb -0.43 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1xyo s ALA 132 CO 0.32 -0.96 -0.13 0.99 0.00 0.00 0.00 175.76 175.98 1xyo s THR 133 N -3.04 3.06 0.17 0.00 2.01 -1.26 -0.92 115.64 115.67 1xyo s THR 133 Ca 0.17 -0.67 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 1xyo s THR 133 Cb -0.04 -2.27 0.04 0.00 0.01 0.00 0.00 72.50 70.24 1xyo s THR 133 CO 0.11 0.53 0.54 0.72 -0.69 0.00 0.00 174.62 175.83 1xyo s PHE 134 N 0.23 -0.28 0.28 4.92 -0.71 -0.57 -4.95 117.98 116.90 1xyo s PHE 134 Ca -0.09 -0.02 -0.08 0.00 -1.04 0.00 0.00 56.93 55.70 1xyo s PHE 134 Cb -0.15 0.44 -0.06 0.00 -1.21 0.00 0.00 43.02 42.04 1xyo s PHE 134 CO 0.05 -0.87 0.59 0.71 -1.34 0.00 0.00 175.22 174.36 1xyo s TYR 135 N -3.82 3.45 -0.16 3.49 2.02 -1.25 -0.33 117.35 120.75 1xyo s TYR 135 Ca 0.05 0.83 0.01 0.00 -0.37 0.00 0.00 57.07 57.59 1xyo s TYR 135 Cb -0.01 -2.24 0.02 0.00 -0.40 0.00 0.00 41.96 39.33 1xyo s TYR 135 CO -0.08 0.16 -0.16 -1.14 -1.57 0.00 0.00 175.55 172.77 1xyo s GLN 136 N -3.27 2.50 -0.05 -0.62 0.74 0.13 -2.21 119.66 116.88 1xyo s GLN 136 Ca 0.47 -0.65 -0.03 0.00 0.05 0.00 0.00 55.36 55.21 1xyo s GLN 136 Cb -0.11 -2.25 -0.04 0.00 1.10 0.00 0.00 33.01 31.71 1xyo s GLN 136 CO 0.26 -0.23 0.08 0.71 -0.55 0.00 0.00 175.29 175.56 1xyo s TYR 137 N 1.43 3.34 0.02 1.67 1.51 -0.06 -1.59 117.35 123.67 1xyo s TYR 137 Ca 0.05 0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 1xyo s TYR 137 Cb -0.13 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1xyo s TYR 137 CO -0.11 0.58 -0.09 -1.58 -1.11 0.00 0.00 175.55 173.23 1xyo s TRP 138 N -1.08 0.83 -0.16 2.71 0.52 -0.51 -0.88 118.94 120.37 1xyo s TRP 138 Ca 0.19 -0.31 -0.02 0.00 0.02 0.00 0.00 56.10 55.98 1xyo s TRP 138 Cb -0.12 -0.50 0.05 0.00 -1.15 0.00 0.00 33.47 31.74 1xyo s TRP 138 CO 0.09 -0.02 0.01 -1.12 0.02 0.00 0.00 176.95 175.93 1xyo s SER 139 N -0.90 2.56 -0.25 2.95 0.01 -0.24 -1.43 113.70 116.41 1xyo s SER 139 Ca -0.01 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 1xyo s SER 139 Cb -0.07 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.54 1xyo s SER 139 CO 0.00 -0.25 -0.02 -0.69 0.41 0.00 0.00 173.24 172.70 1xyo s VAL 140 N 1.83 3.37 0.16 3.43 1.01 0.14 -0.32 120.40 130.02 1xyo s VAL 140 Ca 0.01 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 1xyo s VAL 140 Cb -0.15 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 1xyo s VAL 140 CO -0.07 0.28 1.50 -0.60 0.00 0.00 0.00 175.10 176.21 1xyo s ARG 141 N 1.44 4.25 0.00 2.72 3.52 -0.28 -1.51 118.95 129.09 1xyo s ARG 141 Ca 0.03 2.27 -0.21 0.00 -0.13 0.00 0.00 55.73 57.69 1xyo s ARG 141 Cb -0.16 -3.18 -0.20 0.00 -1.56 0.00 0.00 34.95 29.86 1xyo s ARG 141 CO -0.02 -0.54 1.17 0.00 -0.81 0.00 0.00 175.30 175.10 1xyo h ARG 142 N 6.60 0.32 -5.08 5.12 3.08 -1.56 -3.40 114.38 119.46 1xyo h ARG 142 Ca -0.43 -0.26 -0.68 0.00 0.07 0.00 0.00 59.98 58.68 1xyo h ARG 142 Cb 1.21 0.05 -0.17 0.00 0.08 0.00 0.00 29.97 31.14 1xyo h ARG 142 CO 0.88 0.91 0.70 -0.80 -1.07 0.00 0.00 179.97 180.60 1xyo s ASN 143 N -6.37 6.49 0.44 7.04 0.01 -1.26 -5.02 114.94 116.27 1xyo s ASN 143 Ca -0.14 -1.77 -0.25 0.00 -0.71 0.00 0.00 52.86 49.98 1xyo s ASN 143 Cb 0.03 -2.39 -0.09 0.00 0.41 0.00 0.00 41.25 39.21 1xyo s ASN 143 CO 0.77 -1.14 1.28 1.41 -1.51 0.00 0.00 177.10 177.91 1xyo n HIS 144 N 6.75 2.15 -3.64 2.20 8.25 -1.26 -5.00 115.22 124.68 1xyo n HIS 144 Ca 0.15 0.49 -0.10 0.00 -0.26 0.00 0.00 57.72 57.99 1xyo n HIS 144 Cb 0.48 -2.38 -0.04 0.00 1.12 0.00 0.00 29.99 29.17 1xyo n HIS 144 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1xyo s ARG 145 N -2.30 1.16 -0.02 -0.41 1.70 -0.70 -5.01 118.95 113.36 1xyo s ARG 145 Ca 0.62 -0.73 0.03 0.00 -0.47 0.00 0.00 55.73 55.18 1xyo s ARG 145 Cb -0.49 0.49 0.05 0.00 -0.57 0.00 0.00 34.95 34.43 1xyo s ARG 145 CO 0.57 -0.47 0.96 0.43 -1.08 0.00 0.00 175.30 175.71 1xyo n SER 146 N -0.26 1.75 -3.70 -2.89 7.64 -1.26 -4.11 113.62 110.78 1xyo n SER 146 Ca -0.15 -2.06 -0.13 0.00 1.01 0.00 0.00 58.87 57.55 1xyo n SER 146 Cb 0.64 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.66 1xyo n SER 146 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1xyo s SER 147 N -1.19 -0.54 0.00 6.43 0.15 -1.26 -3.47 113.70 113.81 1xyo s SER 147 Ca 0.05 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1xyo s SER 147 Cb 0.05 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1xyo s SER 147 CO 0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1xyo n GLY 148 N 3.11 -1.08 3.07 9.45 0.00 0.12 -4.99 105.19 114.87 1xyo n GLY 148 Ca -0.15 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 1xyo n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xyo s SER 149 N -4.00 1.85 -0.24 1.61 0.15 -1.26 -1.21 113.70 110.60 1xyo s SER 149 Ca 0.00 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 1xyo s SER 149 Cb 0.00 -0.67 0.03 0.00 -1.71 0.00 0.00 66.02 63.67 1xyo s SER 149 CO 0.00 0.09 -0.10 -0.69 1.20 0.00 0.00 173.24 173.74 1xyo s VAL 150 N 0.34 2.60 -0.67 4.45 1.01 0.11 -4.82 120.40 123.42 1xyo s VAL 150 Ca -0.09 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.57 1xyo s VAL 150 Cb -0.13 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 34.01 1xyo s VAL 150 CO 0.03 0.23 0.96 0.21 0.00 0.00 0.00 175.10 176.53 1xyo s ASN 151 N 1.28 6.20 0.48 3.32 3.84 -1.26 -0.52 114.94 128.29 1xyo s ASN 151 Ca -0.00 -1.08 0.13 0.00 0.21 0.00 0.00 52.86 52.12 1xyo s ASN 151 Cb -0.16 -2.41 1.13 0.00 -0.55 0.00 0.00 41.25 39.26 1xyo s ASN 151 CO -0.06 -1.40 2.12 0.71 -2.79 0.00 0.00 177.10 175.67 1xyo h THR 152 N 5.97 1.04 -0.88 -5.21 1.35 -1.69 -2.76 112.91 110.73 1xyo h THR 152 Ca -0.26 -0.07 0.10 0.00 -0.55 0.00 0.00 66.41 65.63 1xyo h THR 152 Cb 1.07 0.85 -0.06 0.00 -1.73 0.00 0.00 68.15 68.27 1xyo h THR 152 CO 1.18 0.04 0.57 0.00 -0.25 0.00 0.00 175.52 177.05 1xyo h ALA 153 N 1.91 1.68 -0.75 6.62 0.00 -1.76 -1.00 119.26 125.96 1xyo h ALA 153 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xyo h ALA 153 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1xyo h ALA 153 CO -0.01 0.13 0.38 -0.91 0.00 0.00 0.00 179.25 178.85 1xyo h ASN 154 N 0.83 0.94 -0.04 0.00 2.35 -1.82 0.54 115.58 118.38 1xyo h ASN 154 Ca 0.41 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 1xyo h ASN 154 Cb 0.46 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1xyo h ASN 154 CO -0.18 0.78 -0.20 0.45 -1.65 0.00 0.00 177.43 176.63 1xyo h HIS 155 N 1.05 0.28 -0.84 1.19 3.86 -1.46 -2.26 115.15 116.96 1xyo h HIS 155 Ca 0.26 -0.12 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 1xyo h HIS 155 Cb 0.06 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 1xyo h HIS 155 CO 0.01 0.84 0.55 0.74 0.86 0.00 0.00 177.93 180.93 1xyo h PHE 156 N -0.37 0.98 -0.28 2.45 0.04 -0.97 0.60 116.94 119.39 1xyo h PHE 156 Ca -0.01 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 1xyo h PHE 156 Cb 0.87 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 1xyo h PHE 156 CO 0.14 0.53 -0.25 -0.97 -0.60 0.00 0.00 178.31 177.17 1xyo h ASN 157 N 0.98 0.70 -0.50 2.17 -1.24 -0.93 -0.46 115.58 116.31 1xyo h ASN 157 Ca 0.35 -0.46 -0.04 0.00 0.71 0.00 0.00 56.30 56.86 1xyo h ASN 157 Cb 0.14 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1xyo h ASN 157 CO -0.12 1.02 0.17 0.00 -1.29 0.00 0.00 177.43 177.21 1xyo h ALA 158 N 0.70 0.65 -0.48 1.57 0.00 -0.77 -1.93 119.26 119.00 1xyo h ALA 158 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1xyo h ALA 158 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1xyo h ALA 158 CO 0.06 0.29 0.03 -1.49 0.00 0.00 0.00 179.25 178.14 1xyo h TRP 159 N 0.67 0.82 0.00 0.00 6.55 -0.85 -2.13 115.95 121.00 1xyo h TRP 159 Ca 0.16 -0.10 -0.05 0.00 0.95 0.00 0.00 58.89 59.85 1xyo h TRP 159 Cb 0.24 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 1xyo h TRP 159 CO 0.01 0.75 -0.23 0.00 -1.05 0.00 0.00 178.44 177.92 1xyo h ALA 160 N 1.29 1.49 0.00 1.49 0.00 -0.71 -0.42 119.26 122.40 1xyo h ALA 160 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xyo h ALA 160 Cb 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xyo h ALA 160 CO 0.01 0.29 -0.13 1.96 0.00 0.00 0.00 179.25 181.38 1xyo h GLN 161 N 0.00 0.00 -0.61 0.00 7.50 -0.67 -2.20 115.11 119.13 1xyo h GLN 161 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1xyo h GLN 161 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.97 1xyo h GLN 161 CO 0.03 0.13 0.00 1.04 -1.50 0.00 0.00 178.83 178.53 1xyo n GLN 162 N -3.29 2.93 0.00 1.46 1.13 -0.24 -4.90 117.38 114.46 1xyo n GLN 162 Ca 0.00 -2.22 0.00 0.00 -1.94 0.00 0.00 57.00 52.84 1xyo n GLN 162 Cb 0.37 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1xyo n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xyo n GLY 163 N 1.11 0.37 3.78 1.08 0.00 -0.83 -5.08 105.19 105.62 1xyo n GLY 163 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1xyo n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xyo s LEU 164 N 0.00 4.24 -0.26 0.99 2.96 -0.77 -4.97 118.68 120.87 1xyo s LEU 164 Ca 0.00 2.00 -0.04 0.00 -0.22 0.00 0.00 54.13 55.87 1xyo s LEU 164 Cb 0.00 -4.08 0.10 0.00 0.50 0.00 0.00 46.19 42.71 1xyo s LEU 164 CO 0.00 -0.32 0.15 0.42 -1.32 0.00 0.00 176.35 175.27 1xyo s THR 165 N -1.60 -0.13 0.47 3.68 -4.23 -1.26 -4.06 115.64 108.51 1xyo s THR 165 Ca 0.54 -0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 60.24 1xyo s THR 165 Cb -0.22 -0.89 -0.07 0.00 1.34 0.00 0.00 72.50 72.66 1xyo s THR 165 CO 0.28 -0.59 1.20 -0.76 -0.54 0.00 0.00 174.62 174.21 1xyo s LEU 166 N 2.15 3.99 0.00 4.79 1.43 -1.26 -4.39 118.68 125.39 1xyo s LEU 166 Ca 0.08 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 1xyo s LEU 166 Cb -0.16 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.83 1xyo s LEU 166 CO -0.30 -1.03 0.00 0.61 0.23 0.00 0.00 176.35 175.86 1xyo n GLY 167 N 0.51 0.65 3.63 -3.19 0.00 -1.25 -4.87 105.19 100.66 1xyo n GLY 167 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1xyo n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xyo s THR 168 N 2.01 5.21 0.14 2.61 2.01 -0.26 -4.89 115.64 122.46 1xyo s THR 168 Ca 0.00 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1xyo s THR 168 Cb 0.00 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 1xyo s THR 168 CO 0.00 0.21 1.08 -0.04 -0.69 0.00 0.00 174.62 175.18 1xyo s MET 169 N 1.72 4.59 0.00 4.92 1.00 -1.26 -0.17 119.30 130.10 1xyo s MET 169 Ca 0.15 1.66 0.00 0.00 0.00 0.00 0.00 55.69 57.50 1xyo s MET 169 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 34.83 31.36 1xyo s MET 169 CO 0.09 0.04 0.00 -3.47 0.00 0.00 0.00 175.02 171.68 1xyo n ASP 170 N 2.77 0.00 -4.76 3.03 2.03 -0.14 -4.50 116.55 114.98 1xyo n ASP 170 Ca 0.04 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.04 1xyo n ASP 170 Cb 0.47 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.97 1xyo n ASP 170 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1xyo s TYR 171 N 4.73 2.57 -0.23 -0.67 -0.85 -1.26 -0.88 117.35 120.76 1xyo s TYR 171 Ca 0.00 1.44 -0.03 0.00 -0.52 0.00 0.00 57.07 57.96 1xyo s TYR 171 Cb 0.00 -3.07 0.12 0.00 0.38 0.00 0.00 41.96 39.40 1xyo s TYR 171 CO 0.00 -1.90 0.35 -1.14 -1.52 0.00 0.00 175.55 171.33 1xyo s GLN 172 N -4.94 0.31 0.15 -3.49 0.74 -0.18 -2.34 119.66 109.91 1xyo s GLN 172 Ca 0.61 0.48 0.03 0.00 0.05 0.00 0.00 55.36 56.53 1xyo s GLN 172 Cb -0.17 -0.60 -0.04 0.00 1.10 0.00 0.00 33.01 33.29 1xyo s GLN 172 CO 0.56 -0.63 -0.05 0.96 -0.55 0.00 0.00 175.29 175.58 1xyo s ILE 173 N 2.50 0.84 -0.21 -2.34 -4.36 0.05 -0.41 121.20 117.28 1xyo s ILE 173 Ca 0.11 -1.99 -0.16 0.00 -0.26 0.00 0.00 60.65 58.35 1xyo s ILE 173 Cb -0.15 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 1xyo s ILE 173 CO -0.15 -0.66 0.39 -0.69 0.24 0.00 0.00 174.94 174.07 1xyo s VAL 174 N -3.54 5.20 0.07 8.37 1.01 -0.15 -0.02 120.40 131.34 1xyo s VAL 174 Ca 0.18 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1xyo s VAL 174 Cb 0.05 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1xyo s VAL 174 CO 0.01 0.24 -0.09 0.00 0.00 0.00 0.00 175.10 175.26 1xyo s ALA 175 N 1.41 0.87 -0.16 5.51 0.00 0.29 -2.51 121.76 127.18 1xyo s ALA 175 Ca 0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1xyo s ALA 175 Cb -0.15 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1xyo s ALA 175 CO 0.08 -0.04 -0.05 0.08 0.00 0.00 0.00 175.76 175.83 1xyo s VAL 176 N -2.09 3.78 0.08 0.00 1.01 -0.41 -1.31 120.40 121.46 1xyo s VAL 176 Ca -0.01 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1xyo s VAL 176 Cb -0.05 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1xyo s VAL 176 CO -0.00 0.49 -0.15 -0.70 0.00 0.00 0.00 175.10 174.73 1xyo s GLU 177 N 0.42 2.00 0.02 2.72 -6.30 0.54 -2.32 118.70 115.77 1xyo s GLU 177 Ca -0.04 -1.05 0.01 0.00 -2.50 0.00 0.00 54.97 51.38 1xyo s GLU 177 Cb -0.14 -2.21 -0.02 0.00 0.00 0.00 0.00 34.13 31.76 1xyo s GLU 177 CO 0.03 0.51 -0.05 0.20 0.02 0.00 0.00 175.26 175.98 1xyo s GLY 178 N -1.89 0.31 -0.33 -1.50 0.00 -0.61 -2.01 107.32 101.29 1xyo s GLY 178 Ca 0.18 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1xyo s GLY 178 CO 0.09 -0.56 0.17 -0.47 0.00 0.00 0.00 173.10 172.34 1xyo s TYR 179 N -1.03 0.72 -1.34 1.90 5.04 -0.55 -1.94 117.35 120.13 1xyo s TYR 179 Ca -0.09 -1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 53.11 1xyo s TYR 179 Cb -0.07 -1.03 -0.00 0.00 0.35 0.00 0.00 41.96 41.20 1xyo s TYR 179 CO -0.00 -0.83 0.53 1.19 -1.34 0.00 0.00 175.55 175.10 1xyo n PHE 180 N 4.54 -1.74 -2.87 4.97 3.01 0.43 -4.47 117.46 121.33 1xyo n PHE 180 Ca 0.04 0.72 0.00 0.00 1.01 0.00 0.00 57.45 59.22 1xyo n PHE 180 Cb 0.39 -3.83 0.00 0.00 -0.01 0.00 0.00 39.48 36.03 1xyo n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1xyo n SER 181 N -2.95 0.09 -4.17 4.37 3.41 -1.26 -4.76 113.62 108.34 1xyo n SER 181 Ca -0.28 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.23 1xyo n SER 181 Cb 0.67 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.52 1xyo n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xyo s SER 182 N 1.00 0.50 0.00 4.04 0.01 -0.97 -1.05 113.70 117.23 1xyo s SER 182 Ca 0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1xyo s SER 182 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1xyo s SER 182 CO 0.00 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.56 1xyo n GLY 183 N -0.14 -1.58 3.25 3.44 0.00 -0.29 0.18 105.19 110.04 1xyo n GLY 183 Ca -0.05 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1xyo n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyo s SER 184 N -0.95 -0.11 -0.09 1.61 1.04 -0.74 -1.11 113.70 113.36 1xyo s SER 184 Ca 0.00 -0.24 -0.29 0.00 0.48 0.00 0.00 55.95 55.91 1xyo s SER 184 Cb 0.00 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.55 1xyo s SER 184 CO 0.00 -0.64 0.66 0.00 0.98 0.00 0.00 173.24 174.24 1xyo s ALA 185 N -2.73 -1.70 -0.18 5.32 0.00 -0.32 -0.29 121.76 121.86 1xyo s ALA 185 Ca -0.04 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.27 1xyo s ALA 185 Cb -0.00 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 22.95 1xyo s ALA 185 CO -0.04 -0.35 0.10 0.45 0.00 0.00 0.00 175.76 175.91 1xyo s SER 186 N -0.87 2.32 -0.01 0.00 0.15 0.34 -1.47 113.70 114.16 1xyo s SER 186 Ca -0.09 -0.61 0.07 0.00 0.70 0.00 0.00 55.95 56.02 1xyo s SER 186 Cb -0.01 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1xyo s SER 186 CO 0.08 -0.35 -0.21 -0.63 1.20 0.00 0.00 173.24 173.33 1xyo s ILE 187 N 2.15 1.66 -0.13 6.45 -1.09 -0.48 -0.91 121.20 128.85 1xyo s ILE 187 Ca 0.03 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 57.56 1xyo s ILE 187 Cb -0.16 -1.38 0.01 0.00 -1.58 0.00 0.00 42.46 39.35 1xyo s ILE 187 CO -0.10 0.46 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.96 1xyo s THR 188 N -0.51 2.00 0.08 2.92 2.01 0.10 -1.08 115.64 121.15 1xyo s THR 188 Ca 0.08 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.16 1xyo s THR 188 Cb -0.08 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1xyo s THR 188 CO -0.01 0.54 0.10 -0.69 -0.69 0.00 0.00 174.62 173.87 1xyo s VAL 189 N 0.79 4.67 0.00 3.82 1.01 0.18 -1.49 120.40 129.38 1xyo s VAL 189 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1xyo s VAL 189 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1xyo s VAL 189 CO -0.01 0.12 0.00 -1.54 0.00 0.00 0.00 175.10 173.67