#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu5 n THR 5 N 0.00 0.00 -5.23 1.96 -2.24 -1.26 -5.10 114.28 102.41 2pu5 n THR 5 Ca 0.00 -1.60 -0.31 0.00 -2.27 0.00 0.00 64.05 59.86 2pu5 n THR 5 Cb 0.00 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 2pu5 n THR 5 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2pu5 s GLU 6 N -2.65 2.43 0.00 -0.78 2.56 -1.26 -2.33 118.70 116.68 2pu5 s GLU 6 Ca 0.26 -0.89 0.00 0.00 0.00 0.00 0.00 54.97 54.34 2pu5 s GLU 6 Cb -0.02 -2.16 0.00 0.00 2.00 0.00 0.00 34.13 33.96 2pu5 s GLU 6 CO 0.19 0.46 0.00 -1.13 -0.56 0.00 0.00 175.26 174.21 2pu5 n SER 7 N 2.74 0.00 0.00 -1.70 3.41 -1.26 -5.02 113.62 111.80 2pu5 n SER 7 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2pu5 n SER 7 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2pu5 n SER 7 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2pu5 n SER 8 N 0.00 0.00 0.00 4.04 2.88 -1.26 -3.00 113.62 116.28 2pu5 n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2pu5 n SER 8 Cb 0.00 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2pu5 n SER 8 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2pu5 n THR 9 N -0.87 0.24 -1.63 2.46 -2.24 -0.98 -4.75 114.28 106.51 2pu5 n THR 9 Ca 0.00 -0.60 -0.49 0.00 -2.27 0.00 0.00 64.05 60.70 2pu5 n THR 9 Cb 0.00 0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 2pu5 n THR 9 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pu5 n SER 10 N -0.12 3.17 -3.81 3.42 2.88 -1.16 -2.38 113.62 115.62 2pu5 n SER 10 Ca 0.00 0.79 -0.13 0.00 -1.33 0.00 0.00 58.87 58.20 2pu5 n SER 10 Cb 0.08 -1.37 -0.13 0.00 -0.75 0.00 0.00 64.21 62.04 2pu5 n SER 10 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2pu5 s LYS 11 N 4.72 0.12 0.32 -1.46 1.02 -0.15 -4.99 119.74 119.32 2pu5 s LYS 11 Ca 0.97 0.23 0.09 0.00 0.02 0.00 0.00 55.97 57.28 2pu5 s LYS 11 Cb -0.69 -0.01 -0.05 0.00 -0.52 0.00 0.00 37.83 36.56 2pu5 s LYS 11 CO 0.50 -0.06 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.79 2pu5 s PHE 12 N 0.40 2.54 -0.29 3.18 0.40 -1.26 -0.55 117.98 122.40 2pu5 s PHE 12 Ca -0.03 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 2pu5 s PHE 12 Cb -0.04 -1.39 0.16 0.00 0.51 0.00 0.00 43.02 42.27 2pu5 s PHE 12 CO -0.02 0.53 1.04 0.54 0.70 0.00 0.00 175.22 178.01 2pu5 s VAL 13 N -2.49 -0.14 0.17 -0.44 0.11 -0.52 -4.96 120.40 112.13 2pu5 s VAL 13 Ca 0.34 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.11 2pu5 s VAL 13 Cb -0.02 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.76 2pu5 s VAL 13 CO 0.19 0.00 0.87 -0.54 -3.33 0.00 0.00 175.10 172.29 2pu5 s LYS 14 N 1.64 4.69 0.06 1.54 -0.14 -1.26 -1.48 119.74 124.79 2pu5 s LYS 14 Ca -0.07 1.32 0.04 0.00 -1.36 0.00 0.00 55.97 55.91 2pu5 s LYS 14 Cb -0.04 -3.30 -0.03 0.00 -1.68 0.00 0.00 37.83 32.78 2pu5 s LYS 14 CO -0.15 0.46 -0.12 0.96 -0.76 0.00 0.00 175.35 175.74 2pu5 s ILE 15 N -0.83 0.91 -0.36 2.17 -4.36 0.79 -4.91 121.20 114.61 2pu5 s ILE 15 Ca 0.40 -1.20 0.14 0.00 -0.26 0.00 0.00 60.65 59.72 2pu5 s ILE 15 Cb -0.24 -0.90 0.39 0.00 1.25 0.00 0.00 42.46 42.95 2pu5 s ILE 15 CO 0.29 -0.26 0.82 0.59 0.24 0.00 0.00 174.94 176.61 2pu5 n ASN 16 N 1.39 1.25 -4.58 4.36 3.02 -1.25 -3.07 115.26 116.37 2pu5 n ASN 16 Ca -0.21 -2.95 -0.28 0.00 -0.03 0.00 0.00 54.58 51.11 2pu5 n ASN 16 Cb 0.54 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 39.04 2pu5 n ASN 16 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2pu5 s GLU 17 N -2.73 2.12 3.29 3.52 2.56 -1.23 -4.82 118.70 121.42 2pu5 s GLU 17 Ca 0.36 -1.14 0.00 0.00 0.00 0.00 0.00 54.97 54.19 2pu5 s GLU 17 Cb 0.39 -2.24 0.00 0.00 2.00 0.00 0.00 34.13 34.27 2pu5 s GLU 17 CO -0.04 0.47 0.00 1.17 -0.56 0.00 0.00 175.26 176.29 2pu5 n LYS 18 N 0.31 0.00 -1.68 4.30 3.00 -1.26 -1.23 118.16 121.60 2pu5 n LYS 18 Ca -0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.79 2pu5 n LYS 18 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.55 2pu5 n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pu5 n GLY 19 N 0.00 4.66 2.31 3.14 0.00 -1.26 -4.82 105.19 109.22 2pu5 n GLY 19 Ca 0.00 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 2pu5 n GLY 19 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pu5 n PHE 20 N 3.19 0.54 -1.38 1.61 3.01 -0.36 -5.10 117.46 118.97 2pu5 n PHE 20 Ca 0.67 -3.68 -0.34 0.00 1.01 0.00 0.00 57.45 55.11 2pu5 n PHE 20 Cb 0.26 -0.30 0.10 0.00 -0.01 0.00 0.00 39.48 39.53 2pu5 n PHE 20 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2pu5 s SER 21 N -1.25 4.10 -0.10 4.37 0.15 -1.26 -3.57 113.70 116.13 2pu5 s SER 21 Ca 0.35 2.36 -0.01 0.00 0.70 0.00 0.00 55.95 59.35 2pu5 s SER 21 Cb 0.13 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 2pu5 s SER 21 CO -0.11 -2.33 0.22 -0.67 1.20 0.00 0.00 173.24 171.55 2pu5 n ASP 22 N -2.81 -0.14 -4.25 5.45 2.03 -1.26 -4.90 116.55 110.68 2pu5 n ASP 22 Ca 0.13 -0.05 -0.33 0.00 0.52 0.00 0.00 54.79 55.06 2pu5 n ASP 22 Cb 0.50 -0.05 -0.16 0.00 -0.72 0.00 0.00 41.12 40.69 2pu5 n ASP 22 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2pu5 s PHE 23 N 0.02 2.71 -0.07 -0.67 5.36 -1.18 -4.91 117.98 119.25 2pu5 s PHE 23 Ca 0.13 -1.06 -0.14 0.00 -0.96 0.00 0.00 56.93 54.90 2pu5 s PHE 23 Cb -0.09 -1.83 -0.05 0.00 -0.34 0.00 0.00 43.02 40.71 2pu5 s PHE 23 CO 0.06 -0.46 0.36 1.21 -1.46 0.00 0.00 175.22 174.92 2pu5 s ASN 24 N 0.66 6.65 -0.14 6.13 2.47 -1.26 -0.15 114.94 129.30 2pu5 s ASN 24 Ca -0.09 0.77 -0.00 0.00 0.42 0.00 0.00 52.86 53.95 2pu5 s ASN 24 Cb -0.16 -2.22 -0.01 0.00 -1.45 0.00 0.00 41.25 37.41 2pu5 s ASN 24 CO 0.02 0.23 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.88 2pu5 s ILE 25 N -0.44 3.09 0.22 -5.21 -1.09 -0.55 -2.66 121.20 114.56 2pu5 s ILE 25 Ca 0.21 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 2pu5 s ILE 25 Cb -0.15 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2pu5 s ILE 25 CO 0.09 0.52 0.38 -2.28 -1.23 0.00 0.00 174.94 172.42 2pu5 s HIS 26 N 0.42 3.48 -0.23 3.97 5.65 -1.25 -1.43 115.29 125.90 2pu5 s HIS 26 Ca -0.10 0.18 -0.28 0.00 0.25 0.00 0.00 55.06 55.11 2pu5 s HIS 26 Cb -0.16 -1.73 0.14 0.00 -1.18 0.00 0.00 32.58 29.66 2pu5 s HIS 26 CO 0.05 0.40 1.11 1.52 -0.65 0.00 0.00 174.74 177.16 2pu5 s TYR 27 N -1.93 -0.32 -0.06 3.88 -0.85 0.29 -2.41 117.35 115.95 2pu5 s TYR 27 Ca 0.36 0.65 -0.07 0.00 -0.52 0.00 0.00 57.07 57.48 2pu5 s TYR 27 Cb -0.10 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 2pu5 s TYR 27 CO 0.30 -0.23 0.21 -0.80 -1.52 0.00 0.00 175.55 173.51 2pu5 s ASN 28 N -0.60 6.47 0.05 -0.18 -0.87 -0.96 -0.98 114.94 117.88 2pu5 s ASN 28 Ca 0.02 0.55 -0.01 0.00 -1.57 0.00 0.00 52.86 51.84 2pu5 s ASN 28 Cb -0.02 -2.09 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 2pu5 s ASN 28 CO -0.04 0.34 -0.02 -0.70 -2.57 0.00 0.00 177.10 174.11 2pu5 s GLU 29 N -1.32 0.61 -0.26 -0.60 2.12 -1.00 -0.46 118.70 117.79 2pu5 s GLU 29 Ca 0.21 -1.20 -0.37 0.00 0.36 0.00 0.00 54.97 53.96 2pu5 s GLU 29 Cb -0.13 0.21 0.16 0.00 0.26 0.00 0.00 34.13 34.63 2pu5 s GLU 29 CO 0.10 -0.11 1.34 0.00 -0.54 0.00 0.00 175.26 176.04 2pu5 s ALA 30 N -3.89 -2.16 0.20 6.30 0.00 -0.58 -4.67 121.76 116.96 2pu5 s ALA 30 Ca 0.07 1.84 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2pu5 s ALA 30 Cb 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2pu5 s ALA 30 CO -0.10 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2pu5 n GLY 31 N 0.02 -1.25 3.08 0.00 0.00 -1.26 -0.85 105.19 104.93 2pu5 n GLY 31 Ca 0.04 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 2pu5 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu5 s ASN 32 N -5.28 1.33 0.00 1.61 4.22 -1.24 -4.36 114.94 111.23 2pu5 s ASN 32 Ca 0.00 -0.32 0.00 0.00 -2.14 0.00 0.00 52.86 50.40 2pu5 s ASN 32 Cb 0.00 -0.11 0.00 0.00 1.28 0.00 0.00 41.25 42.42 2pu5 s ASN 32 CO 0.00 0.06 0.00 0.61 -2.04 0.00 0.00 177.10 175.73 2pu5 n GLY 33 N 2.36 0.45 3.58 0.45 0.00 -1.26 -3.33 105.19 107.44 2pu5 n GLY 33 Ca -0.16 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2pu5 n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pu5 n GLU 34 N 0.00 1.19 -3.58 1.61 2.13 -1.26 -4.40 120.64 116.33 2pu5 n GLU 34 Ca 0.00 0.43 -0.39 0.00 0.66 0.00 0.00 57.16 57.86 2pu5 n GLU 34 Cb 0.00 -1.91 -0.11 0.00 0.27 0.00 0.00 31.44 29.69 2pu5 n GLU 34 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2pu5 s THR 35 N -1.28 5.16 -0.30 6.31 2.01 -1.26 -2.17 115.64 124.12 2pu5 s THR 35 Ca 0.63 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.49 2pu5 s THR 35 Cb -0.59 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.38 2pu5 s THR 35 CO 0.57 0.12 0.04 -0.69 -0.69 0.00 0.00 174.62 173.97 2pu5 s VAL 36 N 1.72 3.51 -0.17 3.82 1.01 -0.45 0.23 120.40 130.08 2pu5 s VAL 36 Ca 0.06 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 2pu5 s VAL 36 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2pu5 s VAL 36 CO 0.10 0.01 0.41 -0.63 0.00 0.00 0.00 175.10 174.99 2pu5 s ILE 37 N 1.40 5.21 -0.28 2.22 1.01 0.27 -2.37 121.20 128.67 2pu5 s ILE 37 Ca -0.00 0.76 -0.08 0.00 0.00 0.00 0.00 60.65 61.33 2pu5 s ILE 37 Cb -0.18 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2pu5 s ILE 37 CO 0.00 0.30 0.09 -0.04 0.00 0.00 0.00 174.94 175.30 2pu5 s MET 38 N 0.93 3.42 -0.32 2.79 -1.94 -0.34 -1.10 119.30 122.73 2pu5 s MET 38 Ca 0.21 -0.64 -0.14 0.00 -1.71 0.00 0.00 55.69 53.41 2pu5 s MET 38 Cb -0.14 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.27 2pu5 s MET 38 CO 0.08 -0.32 0.29 -0.51 -0.01 0.00 0.00 175.02 174.55 2pu5 s LEU 39 N 1.58 4.32 0.88 -0.03 1.43 0.81 -1.61 118.68 126.06 2pu5 s LEU 39 Ca 0.05 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 2pu5 s LEU 39 Cb -0.16 -2.24 0.17 0.00 0.03 0.00 0.00 46.19 43.98 2pu5 s LEU 39 CO 0.04 -0.22 1.22 -1.38 0.23 0.00 0.00 176.35 176.23 2pu5 s HIS 40 N 1.88 1.71 0.69 0.29 -3.43 -1.26 -1.97 115.29 113.20 2pu5 s HIS 40 Ca 0.09 0.18 -0.06 0.00 -0.80 0.00 0.00 55.06 54.48 2pu5 s HIS 40 Cb -0.17 -3.75 0.06 0.00 -1.43 0.00 0.00 32.58 27.29 2pu5 s HIS 40 CO 0.11 -2.31 0.99 0.20 -2.00 0.00 0.00 174.74 171.74 2pu5 s GLY 41 N -4.82 1.70 -0.07 -1.38 0.00 -1.23 -0.95 107.32 100.57 2pu5 s GLY 41 Ca 0.71 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 44.48 2pu5 s GLY 41 CO 0.50 -0.57 0.90 0.61 0.00 0.00 0.00 173.10 174.54 2pu5 n GLY 42 N -2.87 2.03 3.59 0.20 0.00 -1.26 -4.75 105.19 102.12 2pu5 n GLY 42 Ca 0.08 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2pu5 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pu5 s GLY 43 N -0.07 2.15 -0.54 -0.02 0.00 -1.26 -5.00 107.32 102.57 2pu5 s GLY 43 Ca 0.14 -2.04 -0.40 0.00 0.00 0.00 0.00 44.72 42.42 2pu5 s GLY 43 CO 0.04 -1.97 2.23 -1.05 0.00 0.00 0.00 173.10 172.35 2pu5 n PRO 44 N -0.88 0.22 -2.00 2.90 -0.02 -1.26 -1.63 135.00 132.33 2pu5 n PRO 44 Ca -0.05 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2pu5 n PRO 44 Cb 0.63 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2pu5 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pu5 n GLY 45 N 7.15 0.80 3.70 -1.23 0.00 -1.26 -4.84 105.19 109.52 2pu5 n GLY 45 Ca 0.54 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2pu5 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu5 s ALA 46 N -2.50 3.50 0.43 4.61 0.00 -0.65 -4.50 121.76 122.66 2pu5 s ALA 46 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.71 2pu5 s ALA 46 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 2pu5 s ALA 46 CO 0.00 -0.14 0.06 0.20 0.00 0.00 0.00 175.76 175.88 2pu5 s GLY 47 N 0.80 2.68 0.13 0.00 0.00 -1.26 -4.12 107.32 105.55 2pu5 s GLY 47 Ca 0.25 -1.14 -0.33 0.00 0.00 0.00 0.00 44.72 43.49 2pu5 s GLY 47 CO 0.10 -1.98 1.55 -1.33 0.00 0.00 0.00 173.10 171.44 2pu5 h GLY 48 N 1.68 -1.00 1.07 0.20 0.00 -1.78 -2.97 103.07 100.26 2pu5 h GLY 48 Ca -0.40 0.71 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 2pu5 h GLY 48 CO 0.67 -0.13 0.13 -0.25 0.00 0.00 0.00 176.54 176.96 2pu5 h TRP 49 N -0.43 1.20 -0.15 5.60 2.91 -1.92 -2.06 115.95 121.10 2pu5 h TRP 49 Ca 0.07 -0.16 -0.13 0.00 1.13 0.00 0.00 58.89 59.80 2pu5 h TRP 49 Cb 0.61 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 2pu5 h TRP 49 CO -0.70 0.99 -0.48 0.66 -1.03 0.00 0.00 178.44 177.88 2pu5 h SER 50 N 1.06 0.41 1.23 2.65 4.64 -1.95 -1.71 113.55 119.88 2pu5 h SER 50 Ca 0.21 -0.20 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 2pu5 h SER 50 Cb 0.42 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2pu5 h SER 50 CO 0.01 0.83 -0.38 0.78 -0.87 0.00 0.00 176.83 177.20 2pu5 h ASN 51 N 0.30 0.00 0.00 4.97 -0.26 -1.36 -3.36 115.58 115.87 2pu5 h ASN 51 Ca 0.02 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 2pu5 h ASN 51 Cb 0.96 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.04 2pu5 h ASN 51 CO 0.08 0.38 -0.73 -1.22 -1.06 0.00 0.00 177.43 174.88 2pu5 n TYR 52 N -3.33 0.00 0.53 1.19 4.02 -0.79 -4.69 117.16 114.09 2pu5 n TYR 52 Ca 0.01 -0.30 0.12 0.00 -0.01 0.00 0.00 57.90 57.72 2pu5 n TYR 52 Cb 0.60 -0.10 0.45 0.00 -0.02 0.00 0.00 39.34 40.26 2pu5 n TYR 52 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2pu5 n TYR 53 N 0.15 0.64 0.84 -0.72 0.18 -0.64 -2.14 117.16 115.46 2pu5 n TYR 53 Ca 0.04 0.23 0.11 0.00 1.88 0.00 0.00 57.90 60.15 2pu5 n TYR 53 Cb 0.90 -0.87 0.04 0.00 -0.38 0.00 0.00 39.34 39.03 2pu5 n TYR 53 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2pu5 n ARG 54 N -2.06 0.11 -0.05 -3.48 1.74 -1.26 -4.41 116.66 107.24 2pu5 n ARG 54 Ca 0.04 -0.01 -0.05 0.00 -0.77 0.00 0.00 57.85 57.06 2pu5 n ARG 54 Cb 0.28 -1.53 -0.09 0.00 -1.02 0.00 0.00 32.46 30.11 2pu5 n ARG 54 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pu5 n ASN 55 N -1.66 2.33 -0.15 0.55 4.13 -1.11 -4.67 115.26 114.69 2pu5 n ASN 55 Ca 0.04 -0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.25 2pu5 n ASN 55 Cb 0.37 0.75 0.05 0.00 -1.54 0.00 0.00 39.78 39.41 2pu5 n ASN 55 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2pu5 h VAL 56 N 0.00 0.86 0.45 2.41 3.04 -1.64 -1.66 116.25 119.71 2pu5 h VAL 56 Ca -0.30 -0.12 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 2pu5 h VAL 56 Cb 1.67 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2pu5 h VAL 56 CO 0.01 0.07 -0.22 1.23 -1.01 0.00 0.00 177.57 177.65 2pu5 h GLY 57 N 0.36 -0.63 -0.50 3.17 0.00 -1.84 -2.12 103.07 101.51 2pu5 h GLY 57 Ca 0.22 0.23 0.31 0.00 0.00 0.00 0.00 47.33 48.09 2pu5 h GLY 57 CO -0.21 -0.23 0.55 -2.55 0.00 0.00 0.00 176.54 174.10 2pu5 h PRO 58 N -0.63 0.32 0.00 4.80 0.11 -1.82 0.22 132.00 134.99 2pu5 h PRO 58 Ca -0.06 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 2pu5 h PRO 58 Cb 0.46 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2pu5 h PRO 58 CO 0.10 0.21 -0.51 0.74 -0.21 0.00 0.00 178.00 178.34 2pu5 h PHE 59 N 0.33 0.00 0.03 0.65 -1.00 -1.21 -3.12 116.94 112.62 2pu5 h PHE 59 Ca 0.72 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.50 2pu5 h PHE 59 Cb 1.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.17 2pu5 h PHE 59 CO -0.03 0.51 -0.01 0.28 -1.61 0.00 0.00 178.31 177.44 2pu5 h VAL 60 N 0.00 0.92 0.00 -0.55 2.07 -0.45 -2.95 116.25 115.29 2pu5 h VAL 60 Ca -0.01 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2pu5 h VAL 60 Cb 1.02 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2pu5 h VAL 60 CO 0.07 0.30 0.00 0.47 0.02 0.00 0.00 177.57 178.43 2pu5 n ASP 61 N -4.73 0.00 0.00 0.57 9.92 0.61 -0.46 116.55 122.46 2pu5 n ASP 61 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 2pu5 n ASP 61 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2pu5 n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pu5 n ALA 62 N -0.33 1.27 -1.23 2.24 0.00 -1.18 -5.00 120.51 116.28 2pu5 n ALA 62 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2pu5 n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pu5 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pu5 n GLY 63 N -0.15 1.03 3.33 0.00 0.00 0.39 -5.06 105.19 104.74 2pu5 n GLY 63 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2pu5 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pu5 s TYR 64 N -2.36 2.36 -0.47 1.61 1.51 -1.12 -4.47 117.35 114.42 2pu5 s TYR 64 Ca 0.00 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.45 2pu5 s TYR 64 Cb 0.00 -1.48 0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2pu5 s TYR 64 CO 0.00 0.02 0.63 0.50 -1.11 0.00 0.00 175.55 175.59 2pu5 s ARG 65 N -0.79 3.20 -0.16 -0.62 3.52 -0.92 -3.59 118.95 119.58 2pu5 s ARG 65 Ca 0.11 -0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 55.04 2pu5 s ARG 65 Cb -0.10 -4.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.24 2pu5 s ARG 65 CO -0.00 -1.10 -0.00 0.08 -0.81 0.00 0.00 175.30 173.47 2pu5 s VAL 66 N 2.72 4.22 -0.25 7.11 1.01 -0.03 -1.33 120.40 133.85 2pu5 s VAL 66 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2pu5 s VAL 66 Cb -0.16 -2.86 0.07 0.00 0.00 0.00 0.00 36.38 33.42 2pu5 s VAL 66 CO 0.16 0.49 -0.01 -0.63 0.00 0.00 0.00 175.10 175.10 2pu5 s ILE 67 N 0.30 1.32 -0.74 2.22 1.01 -1.00 -1.52 121.20 122.80 2pu5 s ILE 67 Ca -0.01 -1.21 -0.26 0.00 0.00 0.00 0.00 60.65 59.17 2pu5 s ILE 67 Cb -0.13 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.63 2pu5 s ILE 67 CO 0.02 -0.23 1.56 -0.76 0.00 0.00 0.00 174.94 175.53 2pu5 s LEU 68 N 1.47 3.24 -0.01 2.97 1.43 0.39 -1.20 118.68 126.97 2pu5 s LEU 68 Ca -0.02 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 2pu5 s LEU 68 Cb -0.18 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 2pu5 s LEU 68 CO -0.09 -2.07 1.02 -0.75 0.23 0.00 0.00 176.35 174.68 2pu5 s LYS 69 N 6.23 4.52 -0.55 1.70 2.20 -0.63 -2.26 119.74 130.95 2pu5 s LYS 69 Ca 0.51 1.47 -0.25 0.00 -0.36 0.00 0.00 55.97 57.33 2pu5 s LYS 69 Cb -0.09 -3.46 0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2pu5 s LYS 69 CO 0.13 -0.12 1.00 -0.51 -0.36 0.00 0.00 175.35 175.49 2pu5 s ASP 70 N 1.04 6.37 0.72 1.43 1.11 -1.01 -3.57 116.67 122.77 2pu5 s ASP 70 Ca 0.53 -0.23 -0.11 0.00 0.18 0.00 0.00 52.55 52.92 2pu5 s ASP 70 Cb -0.22 -2.46 0.03 0.00 1.07 0.00 0.00 42.92 41.33 2pu5 s ASP 70 CO 0.27 -1.28 1.07 -0.55 1.18 0.00 0.00 175.17 175.86 2pu5 s SER 71 N 2.85 5.13 0.26 0.27 0.15 -1.26 -4.47 113.70 116.62 2pu5 s SER 71 Ca 0.34 1.53 -0.31 0.00 0.70 0.00 0.00 55.95 58.21 2pu5 s SER 71 Cb -0.11 -2.37 -0.12 0.00 -1.71 0.00 0.00 66.02 61.71 2pu5 s SER 71 CO 0.21 -1.59 1.65 -2.65 1.20 0.00 0.00 173.24 172.05 2pu5 n PRO 72 N -3.22 2.74 -0.85 5.44 -0.02 -1.26 -2.73 135.00 135.10 2pu5 n PRO 72 Ca 0.07 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2pu5 n PRO 72 Cb 0.54 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2pu5 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pu5 n GLY 73 N 2.85 0.88 3.09 -1.23 0.00 -0.86 -4.86 105.19 105.06 2pu5 n GLY 73 Ca 0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 2pu5 n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pu5 s PHE 74 N -2.00 0.50 0.00 1.61 0.40 -1.10 -4.82 117.98 112.56 2pu5 s PHE 74 Ca 0.00 -1.04 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 2pu5 s PHE 74 Cb 0.00 -0.37 0.00 0.00 0.51 0.00 0.00 43.02 43.16 2pu5 s PHE 74 CO 0.00 -0.38 0.00 -1.71 0.70 0.00 0.00 175.22 173.83 2pu5 n ASN 75 N 0.13 0.00 -1.78 1.36 5.15 -1.26 -0.36 115.26 118.51 2pu5 n ASN 75 Ca -0.14 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.73 2pu5 n ASN 75 Cb 0.61 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 40.04 2pu5 n ASN 75 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2pu5 n LYS 76 N 0.46 2.49 -0.37 1.20 5.02 -1.26 -4.85 118.16 120.84 2pu5 n LYS 76 Ca 0.00 -2.21 0.00 0.00 -2.02 0.00 0.00 58.31 54.08 2pu5 n LYS 76 Cb 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 2pu5 n LYS 76 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2pu5 n SER 77 N -0.35 0.00 -4.66 4.39 7.64 0.52 -3.75 113.62 117.41 2pu5 n SER 77 Ca 0.36 -0.47 -0.35 0.00 1.01 0.00 0.00 58.87 59.43 2pu5 n SER 77 Cb 1.23 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.34 2pu5 n SER 77 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2pu5 s ASP 78 N -1.00 5.66 0.65 6.43 1.11 -1.09 -4.74 116.67 123.70 2pu5 s ASP 78 Ca 0.00 0.13 -0.16 0.00 0.18 0.00 0.00 52.55 52.70 2pu5 s ASP 78 Cb 0.00 -1.92 -0.00 0.00 1.07 0.00 0.00 42.92 42.07 2pu5 s ASP 78 CO 0.00 0.22 1.13 0.00 1.18 0.00 0.00 175.17 177.70 2pu5 s ALA 79 N 0.09 2.44 0.17 5.23 0.00 -1.26 -2.02 121.76 126.40 2pu5 s ALA 79 Ca 0.05 0.65 -0.18 0.00 0.00 0.00 0.00 51.96 52.48 2pu5 s ALA 79 Cb -0.12 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2pu5 s ALA 79 CO 0.01 -1.30 0.50 0.54 0.00 0.00 0.00 175.76 175.50 2pu5 s VAL 80 N -2.19 0.03 -0.06 0.00 0.11 -1.26 -4.81 120.40 112.22 2pu5 s VAL 80 Ca 0.69 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 59.21 2pu5 s VAL 80 Cb -0.22 -1.33 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 2pu5 s VAL 80 CO 0.40 -0.16 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.20 2pu5 s VAL 81 N -3.83 1.16 0.06 2.04 1.01 -1.26 -4.70 120.40 114.87 2pu5 s VAL 81 Ca 0.06 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2pu5 s VAL 81 Cb -0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2pu5 s VAL 81 CO -0.08 0.36 -0.00 -0.04 0.00 0.00 0.00 175.10 175.34 2pu5 s MET 82 N 0.60 2.63 0.00 2.72 1.00 -1.26 -5.00 119.30 119.99 2pu5 s MET 82 Ca -0.14 -0.76 0.19 0.00 0.00 0.00 0.00 55.69 54.98 2pu5 s MET 82 Cb -0.15 -2.58 -0.00 0.00 0.00 0.00 0.00 34.83 32.09 2pu5 s MET 82 CO 0.04 0.57 0.95 -0.40 0.00 0.00 0.00 175.02 176.18 2pu5 n ASP 83 N 0.88 1.82 -4.41 3.03 5.75 -1.26 -4.49 116.55 117.87 2pu5 n ASP 83 Ca -0.12 -1.41 -0.21 0.00 -0.01 0.00 0.00 54.79 53.04 2pu5 n ASP 83 Cb 0.52 0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 40.97 2pu5 n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2pu5 s GLU 84 N -2.12 1.50 0.14 0.11 2.02 -1.26 -4.59 118.70 114.50 2pu5 s GLU 84 Ca 0.16 -1.68 -0.34 0.00 0.02 0.00 0.00 54.97 53.13 2pu5 s GLU 84 Cb 0.15 -1.44 -0.16 0.00 0.10 0.00 0.00 34.13 32.78 2pu5 s GLU 84 CO 0.47 0.26 1.14 0.00 0.02 0.00 0.00 175.26 177.14 2pu5 n GLN 85 N -0.49 0.97 0.01 1.61 10.64 -1.26 -4.81 117.38 124.05 2pu5 n GLN 85 Ca -0.07 0.35 0.02 0.00 -1.83 0.00 0.00 57.00 55.47 2pu5 n GLN 85 Cb 0.60 -1.83 0.10 0.00 -0.86 0.00 0.00 30.24 28.25 2pu5 n GLN 85 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2pu5 n ARG 86 N 1.78 0.01 0.21 2.61 1.74 -1.26 -2.94 116.66 118.80 2pu5 n ARG 86 Ca 0.16 0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 57.59 2pu5 n ARG 86 Cb 0.22 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 2pu5 n ARG 86 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2pu5 h GLY 87 N 0.66 -0.58 0.00 -0.13 0.00 -1.88 -1.05 103.07 100.09 2pu5 h GLY 87 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2pu5 h GLY 87 CO 0.00 -0.21 0.00 -0.10 0.00 0.00 0.00 176.54 176.23 2pu5 n LEU 88 N -4.34 0.00 0.00 3.11 7.94 -1.15 -2.53 117.00 120.03 2pu5 n LEU 88 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 2pu5 n LEU 88 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 2pu5 n LEU 88 CO 0.17 0.00 0.00 0.52 -1.11 0.00 0.00 177.39 176.97 2pu5 n VAL 89 N 0.00 0.00 -0.15 1.96 0.31 -1.19 -0.76 118.33 118.50 2pu5 n VAL 89 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2pu5 n VAL 89 Cb 0.00 0.00 0.31 0.00 -0.91 0.00 0.00 33.84 33.24 2pu5 n VAL 89 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2pu5 h ASN 90 N 0.00 0.73 -0.01 4.52 2.35 -1.05 -0.98 115.58 121.14 2pu5 h ASN 90 Ca 0.00 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2pu5 h ASN 90 Cb 0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 2pu5 h ASN 90 CO 0.00 0.53 -0.02 0.00 -1.65 0.00 0.00 177.43 176.29 2pu5 h ALA 91 N 1.60 0.02 -1.01 -0.83 0.00 -0.65 -2.59 119.26 115.81 2pu5 h ALA 91 Ca 0.24 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 55.12 2pu5 h ALA 91 Cb -0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 2pu5 h ALA 91 CO -0.05 -0.21 0.63 0.00 0.00 0.00 0.00 179.25 179.62 2pu5 h ARG 92 N -0.46 0.52 -0.17 0.00 3.08 -1.02 1.17 114.38 117.50 2pu5 h ARG 92 Ca 0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2pu5 h ARG 92 Cb 0.53 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2pu5 h ARG 92 CO 0.00 0.35 -0.13 0.00 -1.07 0.00 0.00 179.97 179.11 2pu5 h ALA 93 N 1.65 1.46 0.31 0.04 0.00 -1.09 -2.61 119.26 119.01 2pu5 h ALA 93 Ca 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2pu5 h ALA 93 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2pu5 h ALA 93 CO -0.34 0.38 -0.15 0.28 0.00 0.00 0.00 179.25 179.42 2pu5 h VAL 94 N 0.26 0.36 -0.84 0.00 2.07 0.17 -1.08 116.25 117.18 2pu5 h VAL 94 Ca 0.05 -0.80 0.24 0.00 0.82 0.00 0.00 66.70 67.02 2pu5 h VAL 94 Cb 0.40 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2pu5 h VAL 94 CO 0.02 0.09 1.11 0.50 0.02 0.00 0.00 177.57 179.31 2pu5 h LYS 95 N -1.02 0.00 0.01 1.57 3.64 -0.88 0.34 116.57 120.24 2pu5 h LYS 95 Ca -0.04 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.02 2pu5 h LYS 95 Cb 0.46 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 2pu5 h LYS 95 CO 0.07 0.00 -1.86 0.41 -2.27 0.00 0.00 179.45 175.80 2pu5 n GLY 96 N -1.66 -0.94 0.12 5.01 0.00 -0.98 -3.03 105.19 103.71 2pu5 n GLY 96 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2pu5 n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pu5 h LEU 97 N 0.01 0.00 0.00 0.99 6.46 0.92 -3.08 115.31 120.61 2pu5 h LEU 97 Ca -0.35 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 2pu5 h LEU 97 Cb 2.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.98 2pu5 h LEU 97 CO 0.07 0.67 0.00 0.23 -0.62 0.00 0.00 178.44 178.79 2pu5 n MET 98 N -3.55 0.00 -0.18 1.25 2.81 -0.29 -1.76 117.12 115.40 2pu5 n MET 98 Ca -0.00 0.20 0.01 0.00 -1.81 0.00 0.00 57.70 56.10 2pu5 n MET 98 Cb 0.70 -1.13 0.04 0.00 -0.71 0.00 0.00 33.22 32.12 2pu5 n MET 98 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2pu5 n ASP 99 N -1.09 -0.24 -0.09 7.83 9.92 -1.17 0.06 116.55 131.76 2pu5 n ASP 99 Ca 0.00 0.83 -0.07 0.00 -0.53 0.00 0.00 54.79 55.03 2pu5 n ASP 99 Cb 0.00 -0.22 0.11 0.00 -0.64 0.00 0.00 41.12 40.37 2pu5 n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pu5 h ALA 100 N 0.81 0.95 -0.11 2.24 0.00 -1.58 -0.40 119.26 121.16 2pu5 h ALA 100 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pu5 h ALA 100 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pu5 h ALA 100 CO -0.49 0.61 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2pu5 n LEU 101 N -4.14 1.10 -3.09 0.00 4.77 0.86 -4.97 117.00 111.52 2pu5 n LEU 101 Ca 0.01 -0.46 -0.19 0.00 -0.03 0.00 0.00 56.01 55.34 2pu5 n LEU 101 Cb 0.40 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2pu5 n LEU 101 CO 0.44 0.23 -0.10 0.47 -1.33 0.00 0.00 177.39 177.10 2pu5 n ASP 102 N -0.05 -7.05 -3.76 -1.43 8.00 0.11 -5.01 116.55 107.36 2pu5 n ASP 102 Ca 0.15 0.31 -0.23 0.00 0.71 0.00 0.00 54.79 55.73 2pu5 n ASP 102 Cb 0.24 -3.96 -0.17 0.00 -0.02 0.00 0.00 41.12 37.20 2pu5 n ASP 102 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pu5 s ILE 103 N -2.13 0.36 0.01 0.53 1.01 -1.17 -4.97 121.20 114.85 2pu5 s ILE 103 Ca 0.29 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.75 2pu5 s ILE 103 Cb -0.06 -0.56 -0.16 0.00 0.01 0.00 0.00 42.46 41.69 2pu5 s ILE 103 CO 0.80 0.21 1.23 0.44 0.00 0.00 0.00 174.94 177.62 2pu5 h ASP 104 N 8.33 -0.49 -4.31 3.58 5.19 -1.94 -3.41 116.42 123.38 2pu5 h ASP 104 Ca -0.19 -0.10 -0.26 0.00 -0.62 0.00 0.00 57.03 55.86 2pu5 h ASP 104 Cb 1.12 0.13 -0.25 0.00 0.18 0.00 0.00 39.33 40.51 2pu5 h ASP 104 CO 0.26 -0.14 -0.73 -0.60 -3.12 0.00 0.00 179.24 174.91 2pu5 s ARG 105 N -4.78 0.34 0.11 3.56 3.52 -1.26 -4.72 118.95 115.72 2pu5 s ARG 105 Ca -0.14 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 2pu5 s ARG 105 Cb 0.02 -0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.19 2pu5 s ARG 105 CO 0.52 0.04 -0.13 0.00 -0.81 0.00 0.00 175.30 174.91 2pu5 s ALA 106 N -0.69 1.40 -0.10 6.12 0.00 -0.78 -4.52 121.76 123.18 2pu5 s ALA 106 Ca -0.05 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.40 2pu5 s ALA 106 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2pu5 s ALA 106 CO -0.00 0.09 0.89 -1.01 0.00 0.00 0.00 175.76 175.73 2pu5 s HIS 107 N -2.07 3.52 -0.20 0.00 3.76 0.63 0.16 115.29 121.09 2pu5 s HIS 107 Ca 0.07 1.44 -0.07 0.00 -0.15 0.00 0.00 55.06 56.35 2pu5 s HIS 107 Cb -0.05 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 2pu5 s HIS 107 CO 0.02 -0.14 0.06 -0.51 -0.85 0.00 0.00 174.74 173.32 2pu5 s LEU 108 N 1.66 3.66 -0.29 0.89 1.43 -1.01 0.97 118.68 125.99 2pu5 s LEU 108 Ca 0.44 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2pu5 s LEU 108 Cb -0.18 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2pu5 s LEU 108 CO 0.18 0.12 0.03 -0.69 0.23 0.00 0.00 176.35 176.22 2pu5 s VAL 109 N 0.70 3.49 -0.32 -1.59 1.01 -0.26 -0.51 120.40 122.92 2pu5 s VAL 109 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2pu5 s VAL 109 Cb -0.13 -2.85 0.10 0.00 0.00 0.00 0.00 36.38 33.49 2pu5 s VAL 109 CO 0.02 0.05 0.06 -0.83 0.00 0.00 0.00 175.10 174.40 2pu5 s GLY 110 N 1.40 1.52 0.00 4.51 0.00 -0.44 -0.13 107.32 114.18 2pu5 s GLY 110 Ca 0.00 -2.08 -0.30 0.00 0.00 0.00 0.00 44.72 42.34 2pu5 s GLY 110 CO 0.00 1.24 1.94 0.21 0.00 0.00 0.00 173.10 176.49 2pu5 s ASN 111 N 1.25 6.40 0.42 1.64 2.47 -0.83 -1.11 114.94 125.17 2pu5 s ASN 111 Ca 0.09 2.55 0.00 0.00 0.42 0.00 0.00 52.86 55.92 2pu5 s ASN 111 Cb -0.18 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2pu5 s ASN 111 CO -0.16 -1.11 0.00 -0.24 -3.72 0.00 0.00 177.10 171.88 2pu5 n SER 112 N 7.81 0.00 -0.09 -4.21 2.88 -0.77 0.22 113.62 119.46 2pu5 n SER 112 Ca 0.20 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.60 2pu5 n SER 112 Cb 0.42 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 2pu5 n SER 112 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2pu5 h MET 113 N 0.00 0.84 -0.92 -1.46 1.85 -1.87 1.63 114.93 115.00 2pu5 h MET 113 Ca 0.00 -0.50 0.25 0.00 -0.61 0.00 0.00 59.70 58.84 2pu5 h MET 113 Cb 0.00 0.04 -0.16 0.00 0.43 0.00 0.00 31.60 31.91 2pu5 h MET 113 CO 0.00 1.13 0.08 0.78 -0.40 0.00 0.00 176.91 178.50 2pu5 h GLY 114 N 0.61 1.22 2.00 1.39 0.00 0.16 0.28 103.07 108.73 2pu5 h GLY 114 Ca 0.03 0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 2pu5 h GLY 114 CO 0.10 -0.45 -0.51 -1.33 0.00 0.00 0.00 176.54 174.35 2pu5 h GLY 115 N 0.07 0.00 0.86 4.60 0.00 -0.36 0.90 103.07 109.14 2pu5 h GLY 115 Ca 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.81 2pu5 h GLY 115 CO -0.81 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 175.57 2pu5 h ALA 116 N 1.49 0.35 -0.20 3.60 0.00 0.15 -2.76 119.26 121.88 2pu5 h ALA 116 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2pu5 h ALA 116 Cb 1.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2pu5 h ALA 116 CO 0.07 0.24 0.09 1.15 0.00 0.00 0.00 179.25 180.80 2pu5 h THR 117 N 0.25 0.98 -0.11 0.00 2.02 -0.30 -2.10 112.91 113.66 2pu5 h THR 117 Ca 0.05 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2pu5 h THR 117 Cb 0.67 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2pu5 h THR 117 CO 0.04 0.04 -0.20 0.00 0.37 0.00 0.00 175.52 175.77 2pu5 h ALA 118 N 1.11 1.46 0.07 6.16 0.00 -0.77 0.13 119.26 127.42 2pu5 h ALA 118 Ca 0.08 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.48 2pu5 h ALA 118 Cb 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.76 2pu5 h ALA 118 CO -0.06 0.38 -1.14 -0.07 0.00 0.00 0.00 179.25 178.36 2pu5 h LEU 119 N 0.17 0.73 -0.13 0.00 3.38 -1.42 -2.59 115.31 115.47 2pu5 h LEU 119 Ca 0.03 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 2pu5 h LEU 119 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2pu5 h LEU 119 CO 0.03 1.47 0.04 0.78 0.09 0.00 0.00 178.44 180.85 2pu5 h ASN 120 N 0.26 0.19 -1.02 -0.43 2.35 -0.36 -2.22 115.58 114.33 2pu5 h ASN 120 Ca -0.14 -0.20 0.25 0.00 -0.55 0.00 0.00 56.30 55.65 2pu5 h ASN 120 Cb 1.80 -0.05 -0.10 0.00 0.05 0.00 0.00 38.32 40.03 2pu5 h ASN 120 CO 0.21 0.34 0.65 0.15 -1.65 0.00 0.00 177.43 177.13 2pu5 h PHE 121 N 0.03 0.74 0.00 1.19 3.57 -0.84 0.04 116.94 121.67 2pu5 h PHE 121 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2pu5 h PHE 121 Cb 0.22 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2pu5 h PHE 121 CO -0.00 0.08 -0.30 0.00 -2.23 0.00 0.00 178.31 175.86 2pu5 h ALA 122 N 1.64 0.83 0.15 2.41 0.00 -1.01 -0.47 119.26 122.81 2pu5 h ALA 122 Ca 0.59 -0.28 -0.30 0.00 0.00 0.00 0.00 54.91 54.93 2pu5 h ALA 122 Cb 1.40 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.16 2pu5 h ALA 122 CO -0.32 0.38 -1.28 -0.07 0.00 0.00 0.00 179.25 177.96 2pu5 h LEU 123 N 0.00 0.77 0.03 0.00 3.38 -0.49 -3.28 115.31 115.71 2pu5 h LEU 123 Ca -0.00 -0.74 -0.37 0.00 0.09 0.00 0.00 57.88 56.85 2pu5 h LEU 123 Cb 1.14 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2pu5 h LEU 123 CO 0.04 1.56 -2.29 -0.62 0.09 0.00 0.00 178.44 177.22 2pu5 n GLU 124 N -3.72 0.68 -2.94 1.13 -0.58 -0.30 -4.57 120.64 110.34 2pu5 n GLU 124 Ca -0.13 0.15 -0.27 0.00 -0.42 0.00 0.00 57.16 56.49 2pu5 n GLU 124 Cb 1.01 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 30.26 2pu5 n GLU 124 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2pu5 n TYR 125 N -3.17 4.06 0.31 -0.32 0.53 -0.19 -4.90 117.16 113.48 2pu5 n TYR 125 Ca -0.38 -3.99 0.18 0.00 -1.02 0.00 0.00 57.90 52.69 2pu5 n TYR 125 Cb 1.04 -0.49 0.99 0.00 -1.03 0.00 0.00 39.34 39.85 2pu5 n TYR 125 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 2pu5 h PRO 126 N 2.99 0.00 -0.20 -0.72 0.11 -1.70 -0.51 132.00 131.97 2pu5 h PRO 126 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2pu5 h PRO 126 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2pu5 h PRO 126 CO 0.82 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.39 2pu5 n ASP 127 N -3.40 2.89 -0.51 -2.05 9.92 -1.26 -4.35 116.55 117.80 2pu5 n ASP 127 Ca -0.02 -1.85 0.08 0.00 -0.53 0.00 0.00 54.79 52.47 2pu5 n ASP 127 Cb 0.13 -0.12 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 2pu5 n ASP 127 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2pu5 n ARG 128 N 1.11 1.56 -4.86 -1.24 5.12 -0.20 -4.90 116.66 113.26 2pu5 n ARG 128 Ca 0.14 -1.11 -0.33 0.00 -1.93 0.00 0.00 57.85 54.62 2pu5 n ARG 128 Cb 0.50 -1.31 -0.14 0.00 -1.16 0.00 0.00 32.46 30.35 2pu5 n ARG 128 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2pu5 s ILE 129 N -1.75 2.95 0.00 0.55 2.07 -1.23 -1.86 121.20 121.92 2pu5 s ILE 129 Ca 0.16 -0.72 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 2pu5 s ILE 129 Cb 0.14 -2.20 0.00 0.00 0.13 0.00 0.00 42.46 40.53 2pu5 s ILE 129 CO 0.34 0.55 0.00 0.61 -1.91 0.00 0.00 174.94 174.52 2pu5 n GLY 130 N 3.19 0.39 3.80 1.50 0.00 0.41 -4.86 105.19 109.62 2pu5 n GLY 130 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2pu5 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu5 s LYS 131 N 0.00 3.31 -0.57 1.61 1.02 -1.26 -4.44 119.74 119.41 2pu5 s LYS 131 Ca 0.00 -0.24 -0.20 0.00 0.02 0.00 0.00 55.97 55.55 2pu5 s LYS 131 Cb 0.00 -3.05 0.07 0.00 -0.52 0.00 0.00 37.83 34.33 2pu5 s LYS 131 CO 0.00 0.73 0.75 -1.17 -0.92 0.00 0.00 175.35 174.74 2pu5 s LEU 132 N -0.91 4.91 -0.41 3.17 2.96 0.76 -2.39 118.68 126.76 2pu5 s LEU 132 Ca 0.14 -1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 52.85 2pu5 s LEU 132 Cb -0.12 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.16 2pu5 s LEU 132 CO 0.03 -1.10 0.34 -0.63 -1.32 0.00 0.00 176.35 173.67 2pu5 s ILE 133 N 3.05 5.21 -0.27 6.68 1.09 0.33 -0.78 121.20 136.52 2pu5 s ILE 133 Ca 0.17 -0.54 -0.09 0.00 -1.10 0.00 0.00 60.65 59.09 2pu5 s ILE 133 Cb -0.20 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.21 2pu5 s ILE 133 CO 0.10 -0.33 0.13 -0.76 -0.10 0.00 0.00 174.94 173.98 2pu5 s LEU 134 N 1.83 3.74 -0.36 2.97 1.43 0.17 -1.32 118.68 127.14 2pu5 s LEU 134 Ca 0.07 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2pu5 s LEU 134 Cb -0.18 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.10 2pu5 s LEU 134 CO 0.11 -0.04 0.10 -0.32 0.23 0.00 0.00 176.35 176.43 2pu5 s MET 135 N 1.69 2.05 -1.42 1.70 1.75 -0.95 -0.79 119.30 123.33 2pu5 s MET 135 Ca 0.07 -1.64 -0.01 0.00 -1.25 0.00 0.00 55.69 52.86 2pu5 s MET 135 Cb -0.16 -3.37 0.01 0.00 2.84 0.00 0.00 34.83 34.15 2pu5 s MET 135 CO 0.07 -0.89 0.43 0.41 -0.65 0.00 0.00 175.02 174.40 2pu5 n GLY 136 N 4.54 -0.23 3.77 2.11 0.00 -0.57 -1.84 105.19 112.96 2pu5 n GLY 136 Ca -0.05 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2pu5 n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pu5 s PRO 137 N -6.57 4.38 1.03 1.61 0.04 -1.26 -2.99 135.00 131.24 2pu5 s PRO 137 Ca 0.04 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 2pu5 s PRO 137 Cb -0.02 -2.96 0.21 0.00 0.04 0.00 0.00 34.50 31.76 2pu5 s PRO 137 CO 0.89 -0.04 1.16 0.20 0.04 0.00 0.00 177.00 179.25 2pu5 s GLY 138 N -0.95 1.62 0.00 0.56 0.00 0.55 -4.70 107.32 104.39 2pu5 s GLY 138 Ca 0.50 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2pu5 s GLY 138 CO 0.41 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 174.04 2pu5 n GLY 139 N -2.03 2.54 1.35 0.20 0.00 -1.26 -4.43 105.19 101.56 2pu5 n GLY 139 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2pu5 n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pu5 n LEU 140 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.05 117.00 117.45 2pu5 n LEU 140 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pu5 n LEU 140 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pu5 n LEU 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2pu5 n GLY 141 N 1.01 -2.10 3.78 -0.72 0.00 -1.26 -4.91 105.19 100.98 2pu5 n GLY 141 Ca 0.00 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 2pu5 n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pu5 s PRO 142 N -0.14 4.39 0.64 1.61 0.04 -1.26 -5.06 135.00 135.22 2pu5 s PRO 142 Ca 0.00 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 2pu5 s PRO 142 Cb 0.00 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 2pu5 s PRO 142 CO 0.00 0.06 1.07 0.45 0.04 0.00 0.00 177.00 178.63 2pu5 s SER 143 N -1.45 5.45 0.00 6.66 0.15 -1.26 -4.97 113.70 118.28 2pu5 s SER 143 Ca 0.53 1.82 0.27 0.00 0.70 0.00 0.00 55.95 59.27 2pu5 s SER 143 Cb -0.23 -2.53 0.94 0.00 -1.71 0.00 0.00 66.02 62.49 2pu5 s SER 143 CO 0.29 -1.39 1.68 0.23 1.20 0.00 0.00 173.24 175.24 2pu5 n MET 144 N -2.44 0.94 0.00 5.44 2.81 -1.26 -4.51 117.12 118.11 2pu5 n MET 144 Ca 0.09 -0.50 0.00 0.00 -1.81 0.00 0.00 57.70 55.48 2pu5 n MET 144 Cb 0.53 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 2pu5 n MET 144 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2pu5 n PHE 145 N -0.59 0.00 -3.01 2.03 3.01 -1.26 -5.07 117.46 112.57 2pu5 n PHE 145 Ca 0.14 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.20 2pu5 n PHE 145 Cb 0.33 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.75 2pu5 n PHE 145 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pu5 s ALA 146 N -1.00 3.35 0.30 4.37 0.00 -1.26 -5.05 121.76 122.46 2pu5 s ALA 146 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 2pu5 s ALA 146 Cb 0.00 -3.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.00 2pu5 s ALA 146 CO 0.00 -0.18 1.56 -2.30 0.00 0.00 0.00 175.76 174.85 2pu5 n PRO 147 N 3.96 2.63 -4.42 0.00 -0.02 -1.26 -4.41 135.00 131.48 2pu5 n PRO 147 Ca -0.00 0.93 -0.22 0.00 -2.02 0.00 0.00 63.50 62.19 2pu5 n PRO 147 Cb 0.51 -2.70 -0.13 0.00 -0.02 0.00 0.00 33.50 31.16 2pu5 n PRO 147 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2pu5 s MET 148 N -0.73 1.10 0.29 -0.52 -1.94 -1.26 -3.87 119.30 112.37 2pu5 s MET 148 Ca 0.63 -0.90 -0.30 0.00 -1.71 0.00 0.00 55.69 53.41 2pu5 s MET 148 Cb -0.51 -1.18 -0.11 0.00 2.01 0.00 0.00 34.83 35.03 2pu5 s MET 148 CO 0.51 0.29 1.61 -1.25 -0.01 0.00 0.00 175.02 176.17 2pu5 s PRO 149 N -1.32 4.11 0.76 2.03 0.04 -1.26 -5.14 135.00 134.22 2pu5 s PRO 149 Ca 0.04 2.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.57 2pu5 s PRO 149 Cb -0.09 -3.02 0.05 0.00 0.04 0.00 0.00 34.50 31.48 2pu5 s PRO 149 CO 0.02 -0.65 1.08 -1.64 0.04 0.00 0.00 177.00 175.86 2pu5 s MET 150 N -0.44 2.38 0.20 4.56 -1.94 -1.25 -4.71 119.30 118.10 2pu5 s MET 150 Ca 0.64 1.09 -0.21 0.00 -1.71 0.00 0.00 55.69 55.50 2pu5 s MET 150 Cb -0.48 -1.92 0.15 0.00 2.01 0.00 0.00 34.83 34.59 2pu5 s MET 150 CO 0.47 -1.53 1.57 1.49 -0.01 0.00 0.00 175.02 177.01 2pu5 h GLU 151 N -1.04 -0.09 -0.69 2.03 4.81 -1.86 -0.34 114.58 117.39 2pu5 h GLU 151 Ca -0.44 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2pu5 h GLU 151 Cb 1.23 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2pu5 h GLU 151 CO 0.53 -0.06 0.30 0.78 -0.73 0.00 0.00 179.01 179.83 2pu5 h GLY 152 N -0.09 1.07 0.62 1.92 0.00 -1.54 0.12 103.07 105.16 2pu5 h GLY 152 Ca 0.27 -0.54 0.05 0.00 0.00 0.00 0.00 47.33 47.12 2pu5 h GLY 152 CO -0.83 0.51 0.16 -2.22 0.00 0.00 0.00 176.54 174.16 2pu5 h ILE 153 N 0.99 0.87 -0.75 2.60 1.08 -1.41 -0.20 117.51 120.70 2pu5 h ILE 153 Ca 0.24 -0.11 -0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2pu5 h ILE 153 Cb 0.14 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 2pu5 h ILE 153 CO -0.03 0.06 0.32 0.11 -0.69 0.00 0.00 178.15 177.92 2pu5 h LYS 154 N 0.33 1.10 0.00 2.37 1.57 -0.87 0.32 116.57 121.39 2pu5 h LYS 154 Ca 0.20 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2pu5 h LYS 154 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2pu5 h LYS 154 CO -0.20 0.88 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.30 2pu5 h LEU 155 N 1.06 0.00 0.16 2.94 3.38 -0.82 -1.91 115.31 120.12 2pu5 h LEU 155 Ca 0.25 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.91 2pu5 h LEU 155 Cb 0.18 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.96 2pu5 h LEU 155 CO -0.02 0.19 -1.33 0.25 0.09 0.00 0.00 178.44 177.62 2pu5 h LEU 156 N 0.00 0.83 -0.39 1.67 5.85 0.90 -0.76 115.31 123.41 2pu5 h LEU 156 Ca -0.00 -0.81 -0.18 0.00 0.84 0.00 0.00 57.88 57.73 2pu5 h LEU 156 Cb 0.44 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2pu5 h LEU 156 CO 0.03 1.62 -0.80 -0.26 -0.34 0.00 0.00 178.44 178.68 2pu5 h PHE 157 N 0.22 0.19 0.54 1.25 -1.00 -1.15 -0.80 116.94 116.19 2pu5 h PHE 157 Ca -0.21 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.46 2pu5 h PHE 157 Cb 2.01 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 41.53 2pu5 h PHE 157 CO 0.11 0.87 -0.41 -0.22 -1.61 0.00 0.00 178.31 177.06 2pu5 h LYS 158 N 0.08 -0.90 -0.61 1.51 3.64 -1.26 -1.31 116.57 117.73 2pu5 h LYS 158 Ca -0.03 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2pu5 h LYS 158 Cb 1.40 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.39 2pu5 h LYS 158 CO 0.12 -0.60 0.41 1.25 -2.27 0.00 0.00 179.45 178.35 2pu5 h LEU 159 N -0.93 0.46 -0.11 5.20 5.85 -0.94 -1.29 115.31 123.54 2pu5 h LEU 159 Ca -0.06 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2pu5 h LEU 159 Cb 0.79 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2pu5 h LEU 159 CO 0.01 0.29 -0.04 1.88 -0.34 0.00 0.00 178.44 180.23 2pu5 h TYR 160 N 0.51 0.26 -0.06 1.25 -1.99 -0.55 -2.78 116.97 113.62 2pu5 h TYR 160 Ca 0.27 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 2pu5 h TYR 160 Cb 0.40 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.07 2pu5 h TYR 160 CO -0.00 0.56 -0.01 0.00 -0.00 0.00 0.00 178.16 178.71 2pu5 h ALA 161 N 0.66 0.08 -3.02 3.88 0.00 -0.98 -3.38 119.26 116.51 2pu5 h ALA 161 Ca 0.03 -0.19 -0.62 0.00 0.00 0.00 0.00 54.91 54.12 2pu5 h ALA 161 Cb 0.49 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.85 2pu5 h ALA 161 CO 0.01 -0.21 -0.68 -2.00 0.00 0.00 0.00 179.25 176.37 2pu5 s GLU 162 N -4.81 1.90 -0.05 0.00 2.12 -0.51 -5.09 118.70 112.26 2pu5 s GLU 162 Ca -0.15 -2.75 -0.30 0.00 0.36 0.00 0.00 54.97 52.13 2pu5 s GLU 162 Cb 0.04 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 2pu5 s GLU 162 CO 0.69 -1.24 1.54 -2.14 -0.54 0.00 0.00 175.26 173.58 2pu5 s PRO 163 N -0.64 4.21 0.23 4.30 0.02 -1.05 -4.61 135.00 137.46 2pu5 s PRO 163 Ca 0.23 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2pu5 s PRO 163 Cb -0.12 -3.85 -0.04 0.00 0.02 0.00 0.00 34.50 30.52 2pu5 s PRO 163 CO -0.10 -0.77 0.17 -1.54 -0.33 0.00 0.00 177.00 174.42 2pu5 s SER 164 N 2.79 0.43 0.19 2.53 1.04 -1.26 -5.05 113.70 114.38 2pu5 s SER 164 Ca 0.69 -1.45 0.05 0.00 0.48 0.00 0.00 55.95 55.72 2pu5 s SER 164 Cb -0.31 0.42 0.08 0.00 0.10 0.00 0.00 66.02 66.31 2pu5 s SER 164 CO 0.27 -0.89 1.44 0.22 0.98 0.00 0.00 173.24 175.26 2pu5 h TYR 165 N 2.52 0.18 -0.42 5.02 3.20 -1.99 -2.42 116.97 123.06 2pu5 h TYR 165 Ca -0.34 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.29 2pu5 h TYR 165 Cb 1.25 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2pu5 h TYR 165 CO 0.61 0.87 -0.31 1.49 -1.64 0.00 0.00 178.16 179.18 2pu5 h GLU 166 N 0.08 0.94 -0.00 1.82 4.81 -1.99 -2.68 114.58 117.55 2pu5 h GLU 166 Ca -0.03 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2pu5 h GLU 166 Cb 1.40 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2pu5 h GLU 166 CO 0.12 1.11 -0.02 2.41 -0.73 0.00 0.00 179.01 181.89 2pu5 n THR 167 N -4.08 0.00 -0.06 0.32 -1.04 -1.14 -2.47 114.28 105.81 2pu5 n THR 167 Ca -0.01 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.05 61.85 2pu5 n THR 167 Cb 0.50 -0.45 -0.14 0.00 -1.82 0.00 0.00 70.33 68.42 2pu5 n THR 167 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2pu5 n LEU 168 N -1.30 1.68 0.02 -4.42 7.94 -0.92 -2.79 117.00 117.21 2pu5 n LEU 168 Ca 0.13 0.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.03 2pu5 n LEU 168 Cb 0.26 -0.38 -0.09 0.00 0.53 0.00 0.00 43.42 43.74 2pu5 n LEU 168 CO 0.24 0.68 0.60 0.50 -1.11 0.00 0.00 177.39 178.30 2pu5 h LYS 169 N 0.02 -0.08 -0.94 1.96 3.64 -1.52 -2.17 116.57 117.48 2pu5 h LYS 169 Ca -0.46 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.12 2pu5 h LYS 169 Cb 2.05 0.02 -0.18 0.00 -0.41 0.00 0.00 32.23 33.71 2pu5 h LYS 169 CO 0.03 0.36 -0.23 1.04 -2.27 0.00 0.00 179.45 178.39 2pu5 n GLN 170 N -4.91 -0.08 -0.12 1.90 6.02 -1.03 -1.34 117.38 117.82 2pu5 n GLN 170 Ca -0.08 1.47 -0.10 0.00 -0.01 0.00 0.00 57.00 58.27 2pu5 n GLN 170 Cb 0.25 -2.20 0.03 0.00 1.02 0.00 0.00 30.24 29.34 2pu5 n GLN 170 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2pu5 h MET 171 N 0.00 0.89 0.00 -1.09 4.05 -1.33 -3.03 114.93 114.42 2pu5 h MET 171 Ca 0.46 -0.40 -0.17 0.00 -0.28 0.00 0.00 59.70 59.30 2pu5 h MET 171 Cb 0.70 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 2pu5 h MET 171 CO -0.97 1.05 -0.83 -0.07 0.23 0.00 0.00 176.91 176.32 2pu5 h LEU 172 N 0.76 0.00 -0.81 3.39 4.07 -0.57 -2.58 115.31 119.57 2pu5 h LEU 172 Ca 0.09 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.94 2pu5 h LEU 172 Cb 0.83 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 2pu5 h LEU 172 CO 0.07 0.83 -0.24 1.56 -1.08 0.00 0.00 178.44 179.58 2pu5 h GLN 173 N 0.00 0.63 0.00 1.13 4.20 -1.20 0.15 115.11 120.02 2pu5 h GLN 173 Ca -0.01 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2pu5 h GLN 173 Cb 1.57 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.31 2pu5 h GLN 173 CO 0.11 0.82 -0.06 0.28 -0.67 0.00 0.00 178.83 179.31 2pu5 h VAL 174 N 0.55 0.15 0.00 -0.54 2.07 -1.40 -3.23 116.25 113.85 2pu5 h VAL 174 Ca 0.08 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 2pu5 h VAL 174 Cb 0.71 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2pu5 h VAL 174 CO 0.05 0.06 -0.84 -0.26 0.02 0.00 0.00 177.57 176.60 2pu5 h PHE 175 N 0.00 0.00 -2.78 1.57 -1.00 -0.57 -3.42 116.94 110.73 2pu5 h PHE 175 Ca -0.00 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 60.13 2pu5 h PHE 175 Cb 0.55 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.05 2pu5 h PHE 175 CO 0.00 0.56 -0.46 -0.51 -1.61 0.00 0.00 178.31 176.29 2pu5 s LEU 176 N -6.24 4.38 0.04 1.54 1.43 -0.96 -1.62 118.68 117.25 2pu5 s LEU 176 Ca 0.01 0.45 -0.33 0.00 -1.03 0.00 0.00 54.13 53.23 2pu5 s LEU 176 Cb 0.08 -2.45 -0.18 0.00 0.03 0.00 0.00 46.19 43.66 2pu5 s LEU 176 CO 0.77 0.31 1.40 0.22 0.23 0.00 0.00 176.35 179.28 2pu5 h TYR 177 N 4.25 -1.08 -3.10 0.29 3.20 -1.84 -3.40 116.97 115.29 2pu5 h TYR 177 Ca -0.51 -0.03 -0.73 0.00 3.14 0.00 0.00 58.73 60.60 2pu5 h TYR 177 Cb 1.20 0.36 -0.22 0.00 1.54 0.00 0.00 36.73 39.61 2pu5 h TYR 177 CO 0.70 -0.67 -0.11 0.34 -1.64 0.00 0.00 178.16 176.79 2pu5 s ASP 178 N -4.21 6.18 0.06 -2.11 2.15 -1.26 -4.95 116.67 112.53 2pu5 s ASP 178 Ca -0.18 -1.48 0.27 0.00 0.43 0.00 0.00 52.55 51.59 2pu5 s ASP 178 Cb 0.02 -2.24 0.91 0.00 -0.30 0.00 0.00 42.92 41.31 2pu5 s ASP 178 CO 0.53 -0.90 1.74 0.00 -0.17 0.00 0.00 175.17 176.37 2pu5 n GLN 179 N 5.68 0.09 0.00 4.34 10.64 -1.26 -2.58 117.38 134.29 2pu5 n GLN 179 Ca -0.11 0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 2pu5 n GLN 179 Cb 0.42 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 2pu5 n GLN 179 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2pu5 n SER 180 N -1.75 1.12 -0.01 2.61 3.41 -1.26 -2.53 113.62 115.21 2pu5 n SER 180 Ca 0.06 -1.86 0.10 0.00 -0.26 0.00 0.00 58.87 56.91 2pu5 n SER 180 Cb 0.37 -0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 2pu5 n SER 180 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pu5 n LEU 181 N 0.09 0.31 -4.57 1.04 4.77 -1.07 -4.94 117.00 112.63 2pu5 n LEU 181 Ca 0.00 -0.17 -0.55 0.00 -0.03 0.00 0.00 56.01 55.26 2pu5 n LEU 181 Cb 0.26 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2pu5 n LEU 181 CO 0.00 0.08 0.80 -0.38 -1.33 0.00 0.00 177.39 176.56 2pu5 n ILE 182 N -1.93 0.01 -4.34 -0.08 5.41 -1.05 -4.99 119.36 112.39 2pu5 n ILE 182 Ca -0.01 -0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.47 2pu5 n ILE 182 Cb 0.44 -0.52 -0.08 0.00 -0.71 0.00 0.00 39.64 38.77 2pu5 n ILE 182 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2pu5 s THR 183 N 0.50 2.10 0.07 1.39 -4.23 -1.26 -5.07 115.64 109.14 2pu5 s THR 183 Ca 0.88 -1.82 -0.15 0.00 -1.18 0.00 0.00 61.69 59.42 2pu5 s THR 183 Cb -1.09 -2.91 -0.18 0.00 1.34 0.00 0.00 72.50 69.65 2pu5 s THR 183 CO 0.52 0.00 1.25 -0.33 -0.54 0.00 0.00 174.62 175.52 2pu5 h GLU 184 N 1.52 0.65 -0.42 3.99 4.39 -1.99 -2.24 114.58 120.48 2pu5 h GLU 184 Ca -0.43 -0.56 0.08 0.00 0.34 0.00 0.00 59.36 58.79 2pu5 h GLU 184 Cb 1.25 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.94 2pu5 h GLU 184 CO 0.74 1.17 -0.39 1.49 -1.16 0.00 0.00 179.01 180.86 2pu5 h GLU 185 N 0.31 -0.28 0.56 2.33 4.81 -1.99 0.96 114.58 121.28 2pu5 h GLU 185 Ca -0.06 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2pu5 h GLU 185 Cb 1.33 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 2pu5 h GLU 185 CO 0.14 -0.19 -0.42 1.25 -0.73 0.00 0.00 179.01 179.06 2pu5 h LEU 186 N -0.29 -1.11 -0.33 1.64 5.85 -1.97 -2.13 115.31 116.97 2pu5 h LEU 186 Ca 0.16 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.01 2pu5 h LEU 186 Cb 0.57 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 2pu5 h LEU 186 CO -0.57 -0.60 -0.39 0.25 -0.34 0.00 0.00 178.44 176.78 2pu5 h LEU 187 N -0.94 -1.29 -0.40 2.25 6.46 -0.94 -2.98 115.31 117.48 2pu5 h LEU 187 Ca -0.07 0.20 -0.16 0.00 -0.12 0.00 0.00 57.88 57.73 2pu5 h LEU 187 Cb 0.78 0.56 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 2pu5 h LEU 187 CO 0.02 -0.37 -0.37 -0.61 -0.62 0.00 0.00 178.44 176.50 2pu5 h GLN 188 N -0.35 0.95 -0.58 1.25 5.75 -0.88 -0.92 115.11 120.32 2pu5 h GLN 188 Ca 0.13 -0.49 0.12 0.00 -0.15 0.00 0.00 58.65 58.26 2pu5 h GLN 188 Cb 0.58 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 29.04 2pu5 h GLN 188 CO -0.51 1.15 -0.07 0.78 -2.65 0.00 0.00 178.83 177.53 2pu5 h GLY 189 N 0.78 0.52 0.79 2.39 0.00 -1.24 -2.07 103.07 104.23 2pu5 h GLY 189 Ca 0.07 0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 2pu5 h GLY 189 CO 0.09 -0.20 -0.33 3.21 0.00 0.00 0.00 176.54 179.30 2pu5 h ARG 190 N 0.05 0.45 -0.38 4.80 2.47 -1.37 -2.90 114.38 117.49 2pu5 h ARG 190 Ca 0.29 -0.31 0.11 0.00 -1.26 0.00 0.00 59.98 58.81 2pu5 h ARG 190 Cb 0.46 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2pu5 h ARG 190 CO -0.55 0.93 0.61 2.35 0.56 0.00 0.00 179.97 183.88 2pu5 h TRP 191 N 0.04 0.00 0.01 3.04 -0.00 -0.64 -1.93 115.95 116.46 2pu5 h TRP 191 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 58.89 58.52 2pu5 h TRP 191 Cb 0.95 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 30.04 2pu5 h TRP 191 CO 0.11 0.00 -2.29 0.39 -0.00 0.00 0.00 178.44 176.64 2pu5 n GLU 192 N -3.30 0.68 0.20 2.65 1.02 -0.83 -1.92 120.64 119.13 2pu5 n GLU 192 Ca 0.07 0.09 0.14 0.00 -0.02 0.00 0.00 57.16 57.45 2pu5 n GLU 192 Cb 0.76 -1.57 0.58 0.00 -0.02 0.00 0.00 31.44 31.19 2pu5 n GLU 192 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pu5 h ALA 193 N 0.69 1.00 0.17 0.62 0.00 -1.27 0.62 119.26 121.09 2pu5 h ALA 193 Ca -0.51 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2pu5 h ALA 193 Cb 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2pu5 h ALA 193 CO 0.01 0.00 -0.08 0.82 0.00 0.00 0.00 179.25 180.00 2pu5 h ILE 194 N 0.00 0.00 -0.76 0.00 2.04 -1.42 -2.91 117.51 114.46 2pu5 h ILE 194 Ca 0.00 -0.67 0.16 0.00 1.00 0.00 0.00 64.86 65.35 2pu5 h ILE 194 Cb 0.43 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.40 2pu5 h ILE 194 CO 0.00 0.00 0.25 1.56 0.00 0.00 0.00 178.15 179.96 2pu5 h GLN 195 N -0.90 0.35 -0.01 2.37 4.20 -1.21 -2.34 115.11 117.56 2pu5 h GLN 195 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2pu5 h GLN 195 Cb 0.18 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2pu5 h GLN 195 CO 0.04 0.23 -0.15 0.54 -0.67 0.00 0.00 178.83 178.82 2pu5 n ARG 196 N -5.08 1.26 -2.77 1.46 1.74 0.19 -4.09 116.66 109.38 2pu5 n ARG 196 Ca 0.15 -0.77 -0.03 0.00 -0.77 0.00 0.00 57.85 56.42 2pu5 n ARG 196 Cb 0.46 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.46 2pu5 n ARG 196 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pu5 n GLN 197 N -0.20 1.50 -0.33 5.56 3.00 -0.89 -4.94 117.38 121.08 2pu5 n GLN 197 Ca 0.15 -3.34 0.23 0.00 -0.01 0.00 0.00 57.00 54.03 2pu5 n GLN 197 Cb 0.37 -1.41 0.51 0.00 0.00 0.00 0.00 30.24 29.71 2pu5 n GLN 197 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2pu5 h PRO 198 N 2.70 0.37 -0.89 -1.09 0.13 -1.69 0.96 132.00 132.49 2pu5 h PRO 198 Ca -0.13 -0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.19 2pu5 h PRO 198 Cb 1.24 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 2pu5 h PRO 198 CO 0.28 0.24 0.60 1.05 -0.23 0.00 0.00 178.00 179.95 2pu5 h GLU 199 N 0.38 0.29 -0.27 0.86 9.09 -1.92 -2.58 114.58 120.44 2pu5 h GLU 199 Ca 0.61 -0.02 -0.11 0.00 0.05 0.00 0.00 59.36 59.90 2pu5 h GLU 199 Cb 1.57 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 28.60 2pu5 h GLU 199 CO -0.32 0.19 -0.25 0.45 0.05 0.00 0.00 179.01 179.14 2pu5 h HIS 200 N 0.30 0.76 0.23 2.06 3.86 0.65 -0.77 115.15 122.25 2pu5 h HIS 200 Ca 0.46 -0.22 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2pu5 h HIS 200 Cb 1.30 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.57 2pu5 h HIS 200 CO -0.00 0.94 -0.52 -0.07 0.86 0.00 0.00 177.93 179.14 2pu5 h LEU 201 N 0.36 -1.52 -0.40 2.43 4.07 -1.54 -0.50 115.31 118.21 2pu5 h LEU 201 Ca 0.04 0.15 0.08 0.00 0.08 0.00 0.00 57.88 58.24 2pu5 h LEU 201 Cb 0.80 0.55 -0.09 0.00 1.08 0.00 0.00 40.66 43.00 2pu5 h LEU 201 CO 0.06 -0.59 -0.24 0.11 -1.08 0.00 0.00 178.44 176.70 2pu5 h LYS 202 N -0.83 -0.17 -0.37 1.13 1.57 -1.50 -2.53 116.57 113.88 2pu5 h LYS 202 Ca -0.02 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2pu5 h LYS 202 Cb 0.79 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2pu5 h LYS 202 CO -0.22 -0.11 0.13 -0.91 -0.57 0.00 0.00 179.45 177.77 2pu5 h ASN 203 N -0.17 0.47 -0.39 0.86 2.35 -0.96 -2.85 115.58 114.88 2pu5 h ASN 203 Ca 0.19 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2pu5 h ASN 203 Cb 0.47 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2pu5 h ASN 203 CO -0.50 0.44 0.03 0.15 -1.65 0.00 0.00 177.43 175.90 2pu5 h PHE 204 N 0.52 0.72 0.10 1.19 3.57 -0.66 -1.72 116.94 120.65 2pu5 h PHE 204 Ca 0.13 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2pu5 h PHE 204 Cb 0.13 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2pu5 h PHE 204 CO 0.01 0.73 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.70 2pu5 h LEU 205 N 0.50 -0.11 -1.00 0.59 3.38 -1.41 -0.08 115.31 117.19 2pu5 h LEU 205 Ca 0.11 -0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.28 2pu5 h LEU 205 Cb 0.42 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.07 2pu5 h LEU 205 CO 0.01 -0.00 0.58 0.40 0.09 0.00 0.00 178.44 179.52 2pu5 h ILE 206 N -0.21 0.47 -0.27 1.22 2.04 -1.51 0.62 117.51 119.87 2pu5 h ILE 206 Ca -0.01 -0.17 -0.18 0.00 1.00 0.00 0.00 64.86 65.49 2pu5 h ILE 206 Cb 0.17 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2pu5 h ILE 206 CO 0.02 0.09 -0.55 0.28 0.00 0.00 0.00 178.15 177.99 2pu5 h SER 207 N 0.51 0.93 0.50 1.72 0.02 -0.59 0.24 113.55 116.88 2pu5 h SER 207 Ca 0.67 -0.50 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 2pu5 h SER 207 Cb 1.34 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2pu5 h SER 207 CO -0.51 1.29 -0.33 0.00 -1.14 0.00 0.00 176.83 176.14 2pu5 h ALA 208 N 0.72 1.25 0.50 3.77 0.00 0.40 1.07 119.26 126.98 2pu5 h ALA 208 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2pu5 h ALA 208 Cb 1.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2pu5 h ALA 208 CO 0.12 0.41 -0.42 1.96 0.00 0.00 0.00 179.25 181.32 2pu5 h GLN 209 N 0.00 -0.88 -0.23 0.00 1.08 0.58 -2.36 115.11 113.29 2pu5 h GLN 209 Ca -0.00 0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2pu5 h GLN 209 Cb 0.67 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 2pu5 h GLN 209 CO 0.04 -0.59 -0.21 0.87 -0.95 0.00 0.00 178.83 177.99 2pu5 h LYS 210 N -0.92 0.42 -2.22 1.46 1.57 0.02 -3.38 116.57 113.52 2pu5 h LYS 210 Ca -0.05 -0.14 -0.58 0.00 -1.87 0.00 0.00 60.65 58.00 2pu5 h LYS 210 Cb 0.79 -0.03 -0.42 0.00 0.08 0.00 0.00 32.23 32.65 2pu5 h LYS 210 CO -0.02 0.61 -0.69 0.00 -0.57 0.00 0.00 179.45 178.78 2pu5 n ALA 211 N -2.48 4.14 -1.56 3.86 0.00 0.36 -4.87 120.51 119.96 2pu5 n ALA 211 Ca -0.00 -4.56 -0.61 0.00 0.00 0.00 0.00 53.44 48.27 2pu5 n ALA 211 Cb 0.36 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 2pu5 n ALA 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pu5 n PRO 212 N 0.26 0.00 0.02 0.00 -0.04 -0.89 -4.56 135.00 129.78 2pu5 n PRO 212 Ca 0.30 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.76 2pu5 n PRO 212 Cb 0.43 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2pu5 n PRO 212 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pu5 n LEU 213 N 2.24 0.04 0.00 1.53 4.77 -1.26 0.40 117.00 124.72 2pu5 n LEU 213 Ca 0.23 0.30 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 2pu5 n LEU 213 Cb 0.04 -0.29 0.52 0.00 -2.33 0.00 0.00 43.42 41.36 2pu5 n LEU 213 CO 0.69 -0.31 0.86 -1.54 -1.33 0.00 0.00 177.39 175.76 2pu5 n SER 214 N -1.36 0.00 0.05 -1.43 3.41 -1.26 -2.87 113.62 110.15 2pu5 n SER 214 Ca -0.00 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 2pu5 n SER 214 Cb 0.25 -0.41 0.48 0.00 -0.26 0.00 0.00 64.21 64.26 2pu5 n SER 214 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pu5 n THR 215 N -1.41 0.30 1.31 6.66 -2.24 1.33 -3.78 114.28 116.43 2pu5 n THR 215 Ca 0.08 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 2pu5 n THR 215 Cb 0.23 -0.48 0.65 0.00 -2.10 0.00 0.00 70.33 68.63 2pu5 n THR 215 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2pu5 n TRP 216 N -1.89 0.00 -2.19 4.78 7.02 -1.14 -4.85 117.44 119.17 2pu5 n TRP 216 Ca 0.06 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.17 2pu5 n TRP 216 Cb 0.39 -0.14 -0.03 0.00 -2.42 0.00 0.00 31.31 29.10 2pu5 n TRP 216 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2pu5 s ASP 217 N -2.29 5.53 0.00 -0.99 2.15 -1.25 -4.68 116.67 115.15 2pu5 s ASP 217 Ca 0.29 -0.11 0.12 0.00 0.43 0.00 0.00 52.55 53.28 2pu5 s ASP 217 Cb 0.16 -2.54 0.73 0.00 -0.30 0.00 0.00 42.92 40.97 2pu5 s ASP 217 CO 0.32 -2.26 1.32 1.33 -0.17 0.00 0.00 175.17 175.71 2pu5 n VAL 218 N 7.10 0.00 -0.20 1.11 0.24 -1.26 -4.59 118.33 120.73 2pu5 n VAL 218 Ca 0.20 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.42 2pu5 n VAL 218 Cb 0.51 -0.34 0.02 0.00 -1.47 0.00 0.00 33.84 32.56 2pu5 n VAL 218 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2pu5 h THR 219 N 0.00 1.23 0.00 3.34 2.02 -1.91 -1.23 112.91 116.36 2pu5 h THR 219 Ca 0.00 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2pu5 h THR 219 Cb 0.00 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2pu5 h THR 219 CO 0.00 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.17 2pu5 h ALA 220 N 1.07 1.00 -0.62 6.16 0.00 -2.01 -2.12 119.26 122.73 2pu5 h ALA 220 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2pu5 h ALA 220 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pu5 h ALA 220 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 2pu5 n ARG 221 N -2.69 2.92 0.17 0.00 1.74 -0.49 -4.53 116.66 113.78 2pu5 n ARG 221 Ca 0.02 -2.56 0.03 0.00 -0.77 0.00 0.00 57.85 54.57 2pu5 n ARG 221 Cb 0.30 -1.55 0.24 0.00 -1.02 0.00 0.00 32.46 30.43 2pu5 n ARG 221 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2pu5 h LEU 222 N 3.67 0.00 -1.43 0.55 3.38 -1.13 -2.94 115.31 117.41 2pu5 h LEU 222 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pu5 h LEU 222 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2pu5 h LEU 222 CO 0.04 0.47 0.18 1.23 0.09 0.00 0.00 178.44 180.45 2pu5 h GLY 223 N 2.24 0.00 1.16 0.83 0.00 -1.79 -2.30 103.07 103.20 2pu5 h GLY 223 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pu5 h GLY 223 CO 0.06 0.00 -0.63 1.18 0.00 0.00 0.00 176.54 177.15 2pu5 n GLU 224 N -2.35 0.30 -2.32 4.80 1.02 -1.11 -4.85 120.64 116.13 2pu5 n GLU 224 Ca -0.01 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 2pu5 n GLU 224 Cb 0.21 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 2pu5 n GLU 224 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pu5 s ILE 225 N -3.17 4.03 -0.23 -3.67 1.01 -0.87 -4.87 121.20 113.43 2pu5 s ILE 225 Ca 0.06 1.32 0.22 0.00 0.00 0.00 0.00 60.65 62.25 2pu5 s ILE 225 Cb 0.13 -3.85 -0.32 0.00 0.01 0.00 0.00 42.46 38.44 2pu5 s ILE 225 CO 0.72 -0.06 0.57 0.29 0.00 0.00 0.00 174.94 176.46 2pu5 n LYS 226 N 5.98 0.53 -1.10 2.79 4.01 -1.26 -4.28 118.16 124.83 2pu5 n LYS 226 Ca 0.13 -0.16 -0.31 0.00 -0.51 0.00 0.00 58.31 57.47 2pu5 n LYS 226 Cb 0.45 -1.51 0.11 0.00 -0.51 0.00 0.00 35.03 33.57 2pu5 n LYS 226 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2pu5 s ALA 227 N -3.41 2.02 -0.22 7.82 0.00 -1.26 -4.92 121.76 121.79 2pu5 s ALA 227 Ca -0.05 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.04 2pu5 s ALA 227 Cb 0.14 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 2pu5 s ALA 227 CO 0.90 -2.06 0.69 0.15 0.00 0.00 0.00 175.76 175.44 2pu5 s LYS 228 N -4.83 4.19 -0.03 0.00 1.02 -1.26 -4.49 119.74 114.33 2pu5 s LYS 228 Ca 0.63 0.71 0.07 0.00 0.02 0.00 0.00 55.97 57.40 2pu5 s LYS 228 Cb -0.19 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2pu5 s LYS 228 CO 0.57 -0.35 -0.25 0.99 -0.92 0.00 0.00 175.35 175.38 2pu5 s THR 229 N 2.29 1.99 -0.30 2.17 2.01 0.01 -0.17 115.64 123.63 2pu5 s THR 229 Ca 0.30 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2pu5 s THR 229 Cb -0.16 -1.66 0.06 0.00 0.01 0.00 0.00 72.50 70.75 2pu5 s THR 229 CO 0.09 0.56 -0.01 0.12 -0.69 0.00 0.00 174.62 174.69 2pu5 s PHE 230 N -0.40 3.35 -0.20 4.92 5.36 0.04 -1.88 117.98 129.16 2pu5 s PHE 230 Ca 0.04 -2.19 -0.16 0.00 -0.96 0.00 0.00 56.93 53.65 2pu5 s PHE 230 Cb -0.11 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.29 2pu5 s PHE 230 CO 0.01 -0.86 0.43 0.42 -1.46 0.00 0.00 175.22 173.76 2pu5 s ILE 231 N 1.16 5.17 0.18 3.12 1.01 0.01 -0.66 121.20 131.19 2pu5 s ILE 231 Ca -0.03 0.77 0.11 0.00 0.00 0.00 0.00 60.65 61.49 2pu5 s ILE 231 Cb -0.20 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2pu5 s ILE 231 CO -0.03 0.23 -0.22 0.42 0.00 0.00 0.00 174.94 175.33 2pu5 s THR 232 N 1.41 2.47 -0.05 2.92 -4.23 0.03 -0.49 115.64 117.71 2pu5 s THR 232 Ca 0.20 -1.91 -0.28 0.00 -1.18 0.00 0.00 61.69 58.53 2pu5 s THR 232 Cb -0.15 -2.17 0.06 0.00 1.34 0.00 0.00 72.50 71.58 2pu5 s THR 232 CO 0.08 -0.07 0.60 0.86 -0.54 0.00 0.00 174.62 175.56 2pu5 s TRP 233 N -1.54 -0.56 0.03 3.99 -0.11 -0.84 -1.51 118.94 118.40 2pu5 s TRP 233 Ca 0.20 0.96 -0.16 0.00 1.22 0.00 0.00 56.10 58.32 2pu5 s TRP 233 Cb -0.09 0.34 -0.06 0.00 -1.50 0.00 0.00 33.47 32.17 2pu5 s TRP 233 CO 0.10 -0.56 0.46 0.20 -4.62 0.00 0.00 176.95 172.53 2pu5 s GLY 234 N -1.20 2.54 0.41 5.86 0.00 -1.26 -1.15 107.32 112.52 2pu5 s GLY 234 Ca -0.11 -0.14 0.10 0.00 0.00 0.00 0.00 44.72 44.56 2pu5 s GLY 234 CO 0.09 0.24 2.00 -0.09 0.00 0.00 0.00 173.10 175.33 2pu5 h ARG 235 N 4.57 0.53 -0.93 2.90 2.43 0.07 -2.76 114.38 121.18 2pu5 h ARG 235 Ca -0.51 -0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.09 2pu5 h ARG 235 Cb 1.22 -0.12 -0.29 0.00 -0.42 0.00 0.00 29.97 30.36 2pu5 h ARG 235 CO 0.62 0.35 0.62 -0.25 -1.51 0.00 0.00 179.97 179.80 2pu5 n ASP 236 N -4.47 4.98 -4.60 -3.80 9.92 -0.70 -4.94 116.55 112.95 2pu5 n ASP 236 Ca 0.08 -3.69 -0.43 0.00 -0.53 0.00 0.00 54.79 50.22 2pu5 n ASP 236 Cb 0.24 -0.85 -0.03 0.00 -0.64 0.00 0.00 41.12 39.84 2pu5 n ASP 236 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2pu5 s ASP 237 N -1.67 5.73 -0.11 -2.24 -1.08 -1.05 -4.39 116.67 111.86 2pu5 s ASP 237 Ca 0.58 1.41 0.09 0.00 -0.52 0.00 0.00 52.55 54.11 2pu5 s ASP 237 Cb 0.48 -2.52 0.47 0.00 -1.46 0.00 0.00 42.92 39.89 2pu5 s ASP 237 CO 0.06 -1.82 1.26 0.54 0.52 0.00 0.00 175.17 175.73 2pu5 n ARG 238 N 8.55 3.08 0.00 4.34 1.74 -1.26 -4.37 116.66 128.74 2pu5 n ARG 238 Ca 0.25 -1.83 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 2pu5 n ARG 238 Cb 0.47 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2pu5 n ARG 238 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pu5 n PHE 239 N 0.46 0.00 -4.43 -1.55 7.35 -1.26 -1.36 117.46 116.66 2pu5 n PHE 239 Ca 0.16 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.64 2pu5 n PHE 239 Cb 0.73 0.16 -0.14 0.00 0.35 0.00 0.00 39.48 40.58 2pu5 n PHE 239 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2pu5 s VAL 240 N -1.70 1.13 -0.08 -2.13 -7.23 -1.26 -4.50 120.40 104.63 2pu5 s VAL 240 Ca 0.00 -0.91 -0.23 0.00 -1.81 0.00 0.00 61.98 59.03 2pu5 s VAL 240 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 2pu5 s VAL 240 CO 0.00 0.09 0.71 -2.16 -0.31 0.00 0.00 175.10 173.42 2pu5 s PRO 241 N -0.94 4.42 0.02 4.82 0.04 -1.26 -4.73 135.00 137.38 2pu5 s PRO 241 Ca 0.03 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 2pu5 s PRO 241 Cb -0.07 -3.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 2pu5 s PRO 241 CO 0.01 0.03 0.28 -0.11 0.04 0.00 0.00 177.00 177.25 2pu5 n LEU 242 N 3.90 -0.15 0.21 -3.56 7.94 -1.26 0.97 117.00 125.05 2pu5 n LEU 242 Ca -0.01 0.32 0.06 0.00 -1.11 0.00 0.00 56.01 55.27 2pu5 n LEU 242 Cb 0.51 -0.06 0.33 0.00 0.53 0.00 0.00 43.42 44.73 2pu5 n LEU 242 CO 0.47 -0.24 0.86 -2.24 -1.11 0.00 0.00 177.39 175.13 2pu5 h ASP 243 N 0.00 0.00 0.79 1.96 3.04 -2.00 -0.68 116.42 119.53 2pu5 h ASP 243 Ca 0.02 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.74 2pu5 h ASP 243 Cb 0.06 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.34 2pu5 h ASP 243 CO -0.14 0.00 -0.34 0.45 -2.04 0.00 0.00 179.24 177.17 2pu5 h HIS 244 N 0.00 0.00 -0.79 4.15 3.86 0.22 -2.13 115.15 120.47 2pu5 h HIS 244 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2pu5 h HIS 244 Cb 0.92 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.36 2pu5 h HIS 244 CO 0.00 0.34 0.36 0.78 0.86 0.00 0.00 177.93 180.27 2pu5 h GLY 245 N 1.92 1.22 1.47 2.45 0.00 -1.29 0.38 103.07 109.22 2pu5 h GLY 245 Ca -0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 2pu5 h GLY 245 CO 0.04 0.59 0.21 1.41 0.00 0.00 0.00 176.54 178.79 2pu5 h LEU 246 N 1.13 0.62 0.35 3.11 3.38 -1.63 0.50 115.31 122.77 2pu5 h LEU 246 Ca 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2pu5 h LEU 246 Cb 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2pu5 h LEU 246 CO -0.03 0.55 -0.17 0.50 0.09 0.00 0.00 178.44 179.38 2pu5 h LYS 247 N 0.69 -0.45 -0.08 1.13 3.64 -0.37 -2.13 116.57 119.00 2pu5 h LYS 247 Ca 0.17 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2pu5 h LYS 247 Cb 0.11 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2pu5 h LYS 247 CO -0.02 -0.23 -0.19 -0.07 -2.27 0.00 0.00 179.45 176.67 2pu5 h LEU 248 N -0.58 -0.63 -0.94 5.20 3.38 -0.98 -2.58 115.31 118.19 2pu5 h LEU 248 Ca -0.05 0.08 0.37 0.00 0.09 0.00 0.00 57.88 58.37 2pu5 h LEU 248 Cb 0.43 0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.26 2pu5 h LEU 248 CO 0.08 -0.16 0.43 -0.11 0.09 0.00 0.00 178.44 178.76 2pu5 n LEU 249 N -3.60 0.26 -0.04 1.67 7.94 0.18 -0.91 117.00 122.50 2pu5 n LEU 249 Ca -0.02 1.56 0.13 0.00 -1.11 0.00 0.00 56.01 56.57 2pu5 n LEU 249 Cb 0.13 -0.73 0.37 0.00 0.53 0.00 0.00 43.42 43.73 2pu5 n LEU 249 CO 0.02 -1.72 0.62 0.79 -1.11 0.00 0.00 177.39 175.99 2pu5 n TRP 250 N -5.16 0.00 0.05 1.96 7.02 -0.80 -4.30 117.44 116.21 2pu5 n TRP 250 Ca 0.33 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.83 2pu5 n TRP 250 Cb 1.13 -0.28 -0.02 0.00 -2.42 0.00 0.00 31.31 29.72 2pu5 n TRP 250 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2pu5 n ASN 251 N -1.36 2.64 -4.53 -0.99 3.02 -0.08 -4.92 115.26 109.03 2pu5 n ASN 251 Ca 0.07 -0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 53.99 2pu5 n ASN 251 Cb 0.33 1.07 -0.10 0.00 -0.61 0.00 0.00 39.78 40.47 2pu5 n ASN 251 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pu5 s ILE 252 N -1.81 5.25 0.23 2.41 1.01 -0.84 -3.64 121.20 123.81 2pu5 s ILE 252 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2pu5 s ILE 252 Cb 0.02 -3.75 0.32 0.00 0.01 0.00 0.00 42.46 39.06 2pu5 s ILE 252 CO 0.11 -0.03 1.17 -0.67 0.00 0.00 0.00 174.94 175.51 2pu5 n ASP 253 N 5.19 -0.10 -3.76 3.58 2.03 -1.26 -3.28 116.55 118.95 2pu5 n ASP 253 Ca -0.12 1.27 -0.30 0.00 0.52 0.00 0.00 54.79 56.16 2pu5 n ASP 253 Cb 0.50 -0.46 -0.13 0.00 -0.72 0.00 0.00 41.12 40.31 2pu5 n ASP 253 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2pu5 s ASP 254 N -5.02 3.82 0.07 1.67 -1.08 -1.26 -5.09 116.67 109.78 2pu5 s ASP 254 Ca -0.10 -2.63 0.01 0.00 -0.52 0.00 0.00 52.55 49.32 2pu5 s ASP 254 Cb 0.22 -1.15 -0.04 0.00 -1.46 0.00 0.00 42.92 40.49 2pu5 s ASP 254 CO 0.58 -0.27 -0.06 0.00 0.52 0.00 0.00 175.17 175.94 2pu5 s ALA 255 N 0.32 0.73 0.02 3.66 0.00 -1.20 -0.81 121.76 124.48 2pu5 s ALA 255 Ca 0.17 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2pu5 s ALA 255 Cb -0.24 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2pu5 s ALA 255 CO -0.01 -0.19 -0.06 -0.98 0.00 0.00 0.00 175.76 174.52 2pu5 s ARG 256 N -3.06 0.45 -0.09 0.00 3.03 -0.79 -4.99 118.95 113.50 2pu5 s ARG 256 Ca 0.03 -0.47 0.01 0.00 2.03 0.00 0.00 55.73 57.34 2pu5 s ARG 256 Cb 0.00 -0.31 -0.02 0.00 -1.03 0.00 0.00 34.95 33.59 2pu5 s ARG 256 CO -0.04 0.07 -0.12 -1.17 -1.13 0.00 0.00 175.30 172.92 2pu5 s LEU 257 N -0.86 2.86 -0.04 -1.89 2.96 -1.26 -0.81 118.68 119.64 2pu5 s LEU 257 Ca -0.05 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2pu5 s LEU 257 Cb -0.06 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.01 2pu5 s LEU 257 CO 0.00 0.28 -0.13 -2.28 -1.32 0.00 0.00 176.35 172.90 2pu5 s HIS 258 N -0.30 1.31 -0.09 5.38 5.65 0.36 -4.98 115.29 122.62 2pu5 s HIS 258 Ca 0.03 -0.37 0.00 0.00 0.25 0.00 0.00 55.06 54.97 2pu5 s HIS 258 Cb -0.13 -0.91 0.02 0.00 -1.18 0.00 0.00 32.58 30.38 2pu5 s HIS 258 CO 0.03 -0.15 -0.07 0.08 -0.65 0.00 0.00 174.74 173.98 2pu5 s VAL 259 N 0.19 0.90 0.22 0.89 1.01 -1.26 -1.99 120.40 120.36 2pu5 s VAL 259 Ca -0.05 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2pu5 s VAL 259 Cb -0.11 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.28 2pu5 s VAL 259 CO 0.01 0.34 0.61 -0.36 0.00 0.00 0.00 175.10 175.70 2pu5 s PHE 260 N 1.46 3.50 0.12 5.22 0.40 -0.30 -4.88 117.98 123.50 2pu5 s PHE 260 Ca -0.00 1.07 0.02 0.00 -0.60 0.00 0.00 56.93 57.41 2pu5 s PHE 260 Cb -0.13 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 2pu5 s PHE 260 CO -0.05 0.29 0.24 -1.54 0.70 0.00 0.00 175.22 174.87 2pu5 s SER 261 N -2.04 6.24 -1.02 1.36 1.04 -1.26 0.53 113.70 118.55 2pu5 s SER 261 Ca 0.45 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 57.03 2pu5 s SER 261 Cb -0.13 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2pu5 s SER 261 CO 0.20 0.10 0.86 0.29 0.98 0.00 0.00 173.24 175.67 2pu5 n LYS 262 N -0.22 -5.75 -3.71 4.02 5.02 -1.26 -4.88 118.16 111.37 2pu5 n LYS 262 Ca -0.07 0.69 -0.12 0.00 -2.02 0.00 0.00 58.31 56.79 2pu5 n LYS 262 Cb 0.53 -5.26 -0.13 0.00 -0.02 0.00 0.00 35.03 30.15 2pu5 n LYS 262 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pu5 n GLY 264 N 4.40 -0.71 0.25 0.00 0.00 -1.26 -1.72 105.19 106.15 2pu5 n GLY 264 Ca -0.22 -1.50 0.02 0.00 0.00 0.00 0.00 46.02 44.32 2pu5 n GLY 264 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2pu5 h HIS 265 N -0.11 0.29 -1.46 1.61 -0.00 -1.51 -3.35 115.15 110.61 2pu5 h HIS 265 Ca 0.00 0.04 -0.69 0.00 -0.00 0.00 0.00 60.37 59.71 2pu5 h HIS 265 Cb 0.00 -0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 27.26 2pu5 h HIS 265 CO 0.00 -0.01 1.74 -1.58 -0.00 0.00 0.00 177.93 178.07 2pu5 s TRP 266 N -6.08 3.04 0.30 5.26 0.51 -1.26 -4.56 118.94 116.15 2pu5 s TRP 266 Ca -0.13 -1.71 0.00 0.00 -2.12 0.00 0.00 56.10 52.14 2pu5 s TRP 266 Cb 0.19 -4.56 0.52 0.00 -0.81 0.00 0.00 33.47 28.80 2pu5 s TRP 266 CO 0.75 -1.65 1.93 0.00 -0.51 0.00 0.00 176.95 177.46 2pu5 h ALA 267 N 7.74 1.50 0.00 0.98 0.00 -1.94 -1.34 119.26 126.19 2pu5 h ALA 267 Ca 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2pu5 h ALA 267 Cb 0.90 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2pu5 h ALA 267 CO 1.36 0.39 -0.26 -0.56 0.00 0.00 0.00 179.25 180.17 2pu5 h GLN 268 N 1.04 0.00 0.01 0.00 -0.00 -1.88 1.04 115.11 115.33 2pu5 h GLN 268 Ca 0.37 0.00 -0.42 0.00 -0.00 0.00 0.00 58.65 58.60 2pu5 h GLN 268 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.54 2pu5 h GLN 268 CO -0.13 0.26 -2.40 1.87 -0.00 0.00 0.00 178.83 178.43 2pu5 n TRP 269 N -3.64 0.15 0.05 0.06 -0.00 -1.15 -3.76 117.44 109.16 2pu5 n TRP 269 Ca -0.01 0.05 -0.16 0.00 -0.00 0.00 0.00 57.50 57.38 2pu5 n TRP 269 Cb 0.39 -1.02 -0.07 0.00 -0.00 0.00 0.00 31.31 30.61 2pu5 n TRP 269 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 2pu5 h GLU 270 N -0.55 0.53 -2.05 5.87 4.81 -1.13 -3.30 114.58 118.76 2pu5 h GLU 270 Ca -0.62 -0.56 -0.62 0.00 -0.13 0.00 0.00 59.36 57.43 2pu5 h GLU 270 Cb 1.73 0.16 -0.40 0.00 0.63 0.00 0.00 28.75 30.87 2pu5 h GLU 270 CO -0.25 1.19 -0.42 0.72 -0.73 0.00 0.00 179.01 179.52 2pu5 n HIS 271 N -3.79 3.71 0.45 0.92 8.25 0.36 -4.92 115.22 120.20 2pu5 n HIS 271 Ca -0.08 -3.53 -0.20 0.00 -0.26 0.00 0.00 57.72 53.65 2pu5 n HIS 271 Cb 0.85 -0.48 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 2pu5 n HIS 271 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pu5 h ALA 272 N 2.99 -1.20 -0.74 -1.41 0.00 -1.63 -0.69 119.26 116.57 2pu5 h ALA 272 Ca 0.24 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2pu5 h ALA 272 Cb 0.58 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 2pu5 h ALA 272 CO 0.89 -1.18 -0.47 -0.44 0.00 0.00 0.00 179.25 178.05 2pu5 h ASP 273 N -1.18 -1.67 -0.37 0.00 3.45 -1.91 0.76 116.42 115.50 2pu5 h ASP 273 Ca -0.11 0.28 -0.13 0.00 0.43 0.00 0.00 57.03 57.49 2pu5 h ASP 273 Cb 0.92 0.76 -0.01 0.00 -0.56 0.00 0.00 39.33 40.45 2pu5 h ASP 273 CO 0.16 -0.31 -0.26 -0.08 -1.57 0.00 0.00 179.24 177.18 2pu5 h GLU 274 N -0.15 0.88 0.66 3.56 4.81 -1.95 -1.86 114.58 120.54 2pu5 h GLU 274 Ca 0.20 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 2pu5 h GLU 274 Cb 0.54 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.90 2pu5 h GLU 274 CO -0.79 1.04 -0.32 0.35 -0.73 0.00 0.00 179.01 178.56 2pu5 h PHE 275 N 0.76 -0.82 -0.24 0.92 3.57 -0.44 1.17 116.94 121.86 2pu5 h PHE 275 Ca 0.09 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 2pu5 h PHE 275 Cb 0.81 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.75 2pu5 h PHE 275 CO 0.05 -0.51 -0.42 -0.91 -2.23 0.00 0.00 178.31 174.29 2pu5 h ASN 276 N -0.88 -1.35 0.11 0.41 2.35 0.58 -0.65 115.58 116.16 2pu5 h ASN 276 Ca -0.09 0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2pu5 h ASN 276 Cb 0.68 0.57 -0.05 0.00 0.05 0.00 0.00 38.32 39.57 2pu5 h ASN 276 CO 0.15 -0.40 -0.47 -0.09 -1.65 0.00 0.00 177.43 174.97 2pu5 h ARG 277 N -0.42 -0.67 -0.92 0.81 2.43 -1.12 0.39 114.38 114.88 2pu5 h ARG 277 Ca 0.10 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.46 2pu5 h ARG 277 Cb 0.60 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.23 2pu5 h ARG 277 CO -0.47 -0.45 0.59 -0.07 -1.51 0.00 0.00 179.97 178.06 2pu5 h LEU 278 N -0.69 0.69 0.05 3.80 3.38 0.17 -1.31 115.31 121.40 2pu5 h LEU 278 Ca 0.01 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 2pu5 h LEU 278 Cb 0.72 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2pu5 h LEU 278 CO -0.27 0.34 -0.96 0.58 0.09 0.00 0.00 178.44 178.23 2pu5 h VAL 279 N 0.73 1.23 -0.54 1.22 2.07 -0.56 -1.06 116.25 119.33 2pu5 h VAL 279 Ca 0.46 -2.33 0.11 0.00 0.82 0.00 0.00 66.70 65.76 2pu5 h VAL 279 Cb 0.71 2.78 -0.10 0.00 -1.52 0.00 0.00 31.29 33.16 2pu5 h VAL 279 CO -0.22 0.56 -0.13 0.40 0.02 0.00 0.00 177.57 178.20 2pu5 h ILE 280 N -0.70 0.46 -0.42 4.57 2.04 -0.98 0.55 117.51 123.04 2pu5 h ILE 280 Ca -0.23 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2pu5 h ILE 280 Cb 1.42 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2pu5 h ILE 280 CO -0.03 0.00 0.26 -0.78 0.00 0.00 0.00 178.15 177.60 2pu5 h ASP 281 N 0.01 0.49 -0.89 1.72 1.82 -1.28 1.55 116.42 119.84 2pu5 h ASP 281 Ca 0.26 -0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.87 2pu5 h ASP 281 Cb 0.40 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.24 2pu5 h ASP 281 CO -0.55 0.38 0.59 0.15 -1.61 0.00 0.00 179.24 178.19 2pu5 h PHE 282 N 0.56 1.13 -0.04 0.28 3.04 -0.55 0.27 116.94 121.63 2pu5 h PHE 282 Ca 0.15 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 2pu5 h PHE 282 Cb -0.03 -0.38 -0.00 0.00 2.56 0.00 0.00 35.95 38.10 2pu5 h PHE 282 CO -0.04 0.72 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.89 2pu5 h LEU 283 N 1.21 0.07 -0.92 0.59 3.38 0.79 -1.40 115.31 119.03 2pu5 h LEU 283 Ca 0.33 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2pu5 h LEU 283 Cb -0.13 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2pu5 h LEU 283 CO -0.07 0.40 0.42 0.03 0.09 0.00 0.00 178.44 179.31 2pu5 h ARG 284 N -0.26 1.19 0.00 1.13 3.08 0.26 -3.40 114.38 116.38 2pu5 h ARG 284 Ca 0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2pu5 h ARG 284 Cb 0.37 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2pu5 h ARG 284 CO 0.00 0.90 -0.03 0.72 -1.07 0.00 0.00 179.97 180.49 2pu5 n HIS 285 N -4.32 0.00 1.08 3.04 8.25 0.05 -5.08 115.22 118.23 2pu5 n HIS 285 Ca 0.08 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 2pu5 n HIS 285 Cb 0.13 0.00 0.51 0.00 1.12 0.00 0.00 29.99 31.75 2pu5 n HIS 285 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98