#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe5 n SER 2 N 0.00 0.00 -4.98 6.43 2.88 -1.26 -5.14 113.62 111.55 1xe5 n SER 2 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1xe5 n SER 2 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1xe5 n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1xe5 s ASN 3 N 0.00 5.54 -0.72 -3.46 0.01 -1.26 -4.99 114.94 110.05 1xe5 s ASN 3 Ca 0.00 -0.06 -0.22 0.00 -0.71 0.00 0.00 52.86 51.87 1xe5 s ASN 3 Cb 0.00 -0.99 0.08 0.00 0.41 0.00 0.00 41.25 40.75 1xe5 s ASN 3 CO 0.00 -0.90 1.00 -0.62 -1.51 0.00 0.00 177.10 175.07 1xe5 s ASP 4 N -4.34 6.28 -0.20 -1.22 2.15 -0.90 -4.96 116.67 113.47 1xe5 s ASP 4 Ca 0.54 -1.24 -0.13 0.00 0.43 0.00 0.00 52.55 52.14 1xe5 s ASP 4 Cb -0.10 -2.41 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 1xe5 s ASP 4 CO 0.36 -1.35 0.27 0.20 -0.17 0.00 0.00 175.17 174.48 1xe5 s ASN 5 N 3.70 6.32 -0.19 -0.34 0.01 -1.26 -1.43 114.94 121.75 1xe5 s ASN 5 Ca 0.24 0.36 0.01 0.00 -0.71 0.00 0.00 52.86 52.77 1xe5 s ASN 5 Cb -0.14 -2.16 0.04 0.00 0.41 0.00 0.00 41.25 39.39 1xe5 s ASN 5 CO 0.05 0.05 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.92 1xe5 s ILE 6 N 0.87 1.81 0.45 0.60 1.01 -0.20 -4.86 121.20 120.88 1xe5 s ILE 6 Ca 0.14 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 59.55 1xe5 s ILE 6 Cb -0.13 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.47 1xe5 s ILE 6 CO 0.04 0.29 1.11 -0.70 0.00 0.00 0.00 174.94 175.68 1xe5 s GLU 7 N 1.35 3.89 -0.07 2.79 2.12 -1.26 -1.22 118.70 126.29 1xe5 s GLU 7 Ca 0.00 1.62 0.05 0.00 0.36 0.00 0.00 54.97 57.01 1xe5 s GLU 7 Cb -0.15 -2.40 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 1xe5 s GLU 7 CO -0.09 -0.40 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.47 1xe5 s LEU 8 N -2.98 2.07 -0.11 2.70 1.43 -0.51 -4.34 118.68 116.94 1xe5 s LEU 8 Ca 0.62 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1xe5 s LEU 8 Cb -0.24 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1xe5 s LEU 8 CO 0.30 0.21 -0.01 0.68 0.23 0.00 0.00 176.35 177.76 1xe5 s VAL 9 N 0.01 4.16 0.42 -1.59 -7.23 -0.15 -2.66 120.40 113.37 1xe5 s VAL 9 Ca -0.09 -0.29 -0.22 0.00 -1.81 0.00 0.00 61.98 59.58 1xe5 s VAL 9 Cb -0.15 -2.78 -0.10 0.00 0.56 0.00 0.00 36.38 33.91 1xe5 s VAL 9 CO 0.05 0.56 0.97 -0.62 -0.31 0.00 0.00 175.10 175.75 1xe5 s ASP 10 N -0.37 6.90 -0.43 4.85 3.68 -1.26 -1.21 116.67 128.83 1xe5 s ASP 10 Ca 0.07 1.76 0.03 0.00 2.13 0.00 0.00 52.55 56.54 1xe5 s ASP 10 Cb -0.12 -2.55 0.12 0.00 -1.45 0.00 0.00 42.92 38.92 1xe5 s ASP 10 CO 0.02 -0.39 0.19 0.12 0.13 0.00 0.00 175.17 175.24 1xe5 s PHE 11 N -2.05 2.77 -1.76 -5.34 2.19 -0.16 -4.93 117.98 108.70 1xe5 s PHE 11 Ca 0.61 -2.73 0.00 0.00 0.33 0.00 0.00 56.93 55.14 1xe5 s PHE 11 Cb -0.12 -2.43 0.00 0.00 -1.31 0.00 0.00 43.02 39.16 1xe5 s PHE 11 CO 0.16 -0.82 0.00 1.04 1.83 0.00 0.00 175.22 177.43 1xe5 n GLN 12 N 3.71 -1.54 -3.03 10.12 1.13 -1.26 -0.43 117.38 126.09 1xe5 n GLN 12 Ca 0.05 1.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.95 1xe5 n GLN 12 Cb 0.36 -5.55 -0.01 0.00 0.11 0.00 0.00 30.24 25.15 1xe5 n GLN 12 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xe5 n ASN 13 N -1.66 -2.79 -0.10 1.08 3.02 -1.26 -4.84 115.26 108.72 1xe5 n ASN 13 Ca -0.23 -0.09 -0.17 0.00 -0.03 0.00 0.00 54.58 54.06 1xe5 n ASN 13 Cb 0.67 -2.39 -0.06 0.00 -0.61 0.00 0.00 39.78 37.40 1xe5 n ASN 13 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1xe5 n ILE 14 N -3.41 1.39 -4.22 2.41 2.08 0.43 -4.94 119.36 113.09 1xe5 n ILE 14 Ca -0.03 -0.08 -0.13 0.00 0.56 0.00 0.00 62.75 63.08 1xe5 n ILE 14 Cb 0.54 -2.03 -0.10 0.00 -0.75 0.00 0.00 39.64 37.29 1xe5 n ILE 14 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1xe5 s MET 15 N -2.61 1.13 0.11 0.38 1.75 -1.07 -4.59 119.30 114.41 1xe5 s MET 15 Ca -0.29 -1.57 0.03 0.00 -1.25 0.00 0.00 55.69 52.60 1xe5 s MET 15 Cb 0.08 0.01 -0.04 0.00 2.84 0.00 0.00 34.83 37.73 1xe5 s MET 15 CO 0.40 -0.26 -0.09 -0.59 -0.65 0.00 0.00 175.02 173.83 1xe5 s PHE 16 N -3.91 1.04 0.16 4.11 -0.12 -1.26 -0.99 117.98 117.00 1xe5 s PHE 16 Ca 0.30 -0.78 0.02 0.00 -0.05 0.00 0.00 56.93 56.42 1xe5 s PHE 16 Cb 0.07 -0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 41.85 1xe5 s PHE 16 CO 0.07 -0.04 -0.02 0.71 -0.05 0.00 0.00 175.22 175.89 1xe5 s TYR 17 N -3.14 1.16 0.04 3.49 2.02 -0.35 -4.63 117.35 115.94 1xe5 s TYR 17 Ca 0.11 -0.98 -0.11 0.00 -0.37 0.00 0.00 57.07 55.72 1xe5 s TYR 17 Cb 0.02 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.93 1xe5 s TYR 17 CO -0.02 -0.17 0.23 0.20 -1.57 0.00 0.00 175.55 174.23 1xe5 s GLY 18 N -3.15 -0.02 0.17 0.71 0.00 -0.88 -0.98 107.32 103.16 1xe5 s GLY 18 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1xe5 s GLY 18 CO 0.02 -0.39 0.34 0.99 0.00 0.00 0.00 173.10 174.06 1xe5 s ASP 19 N -2.13 6.37 0.15 1.64 1.01 -1.26 -0.67 116.67 121.78 1xe5 s ASP 19 Ca -0.04 0.32 -0.24 0.00 0.71 0.00 0.00 52.55 53.30 1xe5 s ASP 19 Cb -0.01 -1.97 0.07 0.00 1.01 0.00 0.00 42.92 42.02 1xe5 s ASP 19 CO -0.04 0.02 0.70 0.00 0.21 0.00 0.00 175.17 176.06 1xe5 s ALA 20 N -1.78 -1.58 0.25 5.23 0.00 -0.92 -4.65 121.76 118.30 1xe5 s ALA 20 Ca 0.37 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.83 1xe5 s ALA 20 Cb -0.11 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1xe5 s ALA 20 CO 0.28 -0.82 -0.13 -1.83 0.00 0.00 0.00 175.76 173.27 1xe5 s GLU 21 N -3.62 1.48 0.02 0.00 1.03 -0.47 -1.59 118.70 115.54 1xe5 s GLU 21 Ca 0.04 -1.69 0.03 0.00 0.03 0.00 0.00 54.97 53.38 1xe5 s GLU 21 Cb -0.02 -1.26 -0.01 0.00 -0.80 0.00 0.00 34.13 32.03 1xe5 s GLU 21 CO -0.08 0.16 -0.09 0.08 -1.33 0.00 0.00 175.26 174.00 1xe5 s VAL 22 N -2.89 0.72 0.00 1.83 1.01 -1.03 -1.69 120.40 118.35 1xe5 s VAL 22 Ca 0.26 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1xe5 s VAL 22 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1xe5 s VAL 22 CO 0.10 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1xe5 n GLY 23 N 2.33 -1.30 0.09 4.51 0.00 -0.50 -4.30 105.19 106.03 1xe5 n GLY 23 Ca -0.16 -1.60 0.03 0.00 0.00 0.00 0.00 46.02 44.29 1xe5 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xe5 n ASP 24 N -1.80 0.76 -4.63 1.61 5.75 -1.26 -4.64 116.55 112.34 1xe5 n ASP 24 Ca 0.00 0.32 -0.29 0.00 -0.01 0.00 0.00 54.79 54.82 1xe5 n ASP 24 Cb 0.00 0.39 0.19 0.00 -1.03 0.00 0.00 41.12 40.67 1xe5 n ASP 24 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xe5 s ASN 25 N -5.58 2.30 0.00 -1.12 4.22 -1.26 -5.02 114.94 108.47 1xe5 s ASN 25 Ca -0.03 1.35 0.00 0.00 -2.14 0.00 0.00 52.86 52.04 1xe5 s ASN 25 Cb 0.09 -2.04 0.00 0.00 1.28 0.00 0.00 41.25 40.58 1xe5 s ASN 25 CO 0.81 -3.36 0.80 1.67 -2.04 0.00 0.00 177.10 174.99 1xe5 n GLN 26 N -4.34 0.00 -3.18 3.55 7.27 -1.26 -4.75 117.38 114.67 1xe5 n GLN 26 Ca 0.05 0.33 -0.16 0.00 0.07 0.00 0.00 57.00 57.29 1xe5 n GLN 26 Cb 0.56 -1.30 0.01 0.00 2.41 0.00 0.00 30.24 31.92 1xe5 n GLN 26 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1xe5 n GLN 27 N -1.45 -1.92 -1.93 3.69 6.02 -1.26 -3.26 117.38 117.27 1xe5 n GLN 27 Ca 0.00 1.63 -0.31 0.00 -0.01 0.00 0.00 57.00 58.31 1xe5 n GLN 27 Cb 0.00 -4.38 0.01 0.00 1.02 0.00 0.00 30.24 26.88 1xe5 n GLN 27 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1xe5 s PRO 28 N -2.98 3.59 0.04 -1.09 0.04 -1.26 -2.46 135.00 130.87 1xe5 s PRO 28 Ca 0.19 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 1xe5 s PRO 28 Cb -0.04 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1xe5 s PRO 28 CO 0.81 -0.58 0.36 -0.06 0.04 0.00 0.00 177.00 177.58 1xe5 s PHE 29 N -3.06 -0.20 -0.21 0.56 0.40 -0.62 -4.89 117.98 109.96 1xe5 s PHE 29 Ca 0.56 0.15 -0.08 0.00 -0.60 0.00 0.00 56.93 56.96 1xe5 s PHE 29 Cb -0.11 0.16 -0.04 0.00 0.51 0.00 0.00 43.02 43.54 1xe5 s PHE 29 CO 0.50 -0.53 0.07 0.99 0.70 0.00 0.00 175.22 176.96 1xe5 s THR 30 N -2.36 4.69 0.18 0.64 2.01 -1.26 -2.17 115.64 117.36 1xe5 s THR 30 Ca -0.06 -0.06 0.11 0.00 0.31 0.00 0.00 61.69 61.99 1xe5 s THR 30 Cb -0.01 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1xe5 s THR 30 CO -0.02 0.41 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.74 1xe5 s PHE 31 N 0.80 2.36 -0.32 4.92 0.40 0.15 -0.35 117.98 125.94 1xe5 s PHE 31 Ca 0.04 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.74 1xe5 s PHE 31 Cb -0.13 -1.19 0.01 0.00 0.51 0.00 0.00 43.02 42.22 1xe5 s PHE 31 CO 0.02 0.47 1.19 0.42 0.70 0.00 0.00 175.22 178.02 1xe5 s ILE 32 N -1.55 4.30 -0.38 0.64 1.01 -0.87 -2.08 121.20 122.28 1xe5 s ILE 32 Ca 0.20 1.48 -0.24 0.00 0.00 0.00 0.00 60.65 62.09 1xe5 s ILE 32 Cb -0.09 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.10 1xe5 s ILE 32 CO 0.10 -0.52 0.83 -0.76 0.00 0.00 0.00 174.94 174.59 1xe5 s LEU 33 N 4.06 4.10 -0.26 2.97 1.43 -1.26 -1.00 118.68 128.72 1xe5 s LEU 33 Ca 0.51 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1xe5 s LEU 33 Cb -0.14 -3.09 0.08 0.00 0.03 0.00 0.00 46.19 43.06 1xe5 s LEU 33 CO 0.20 -0.81 0.05 -0.62 0.23 0.00 0.00 176.35 175.40 1xe5 s ASP 34 N 1.92 3.59 0.03 2.29 2.15 -0.29 -4.26 116.67 122.09 1xe5 s ASP 34 Ca 0.33 -1.26 0.24 0.00 0.43 0.00 0.00 52.55 52.28 1xe5 s ASP 34 Cb -0.12 -0.82 0.99 0.00 -0.30 0.00 0.00 42.92 42.67 1xe5 s ASP 34 CO 0.19 -0.35 1.75 0.35 -0.17 0.00 0.00 175.17 176.94 1xe5 n THR 35 N 4.89 0.42 1.15 1.71 -2.24 -1.26 0.01 114.28 118.97 1xe5 n THR 35 Ca -0.06 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1xe5 n THR 35 Cb 0.44 -0.71 0.36 0.00 -2.10 0.00 0.00 70.33 68.33 1xe5 n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xe5 n GLY 36 N 0.90 0.49 3.25 3.38 0.00 -1.26 -4.09 105.19 107.86 1xe5 n GLY 36 Ca 0.05 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 1xe5 n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xe5 s SER 37 N -1.74 0.95 -0.03 1.61 1.04 -1.17 -4.99 113.70 109.36 1xe5 s SER 37 Ca 0.34 -1.57 0.12 0.00 0.48 0.00 0.00 55.95 55.32 1xe5 s SER 37 Cb 0.20 0.46 0.21 0.00 0.10 0.00 0.00 66.02 66.98 1xe5 s SER 37 CO 0.30 -0.94 1.09 0.00 0.98 0.00 0.00 173.24 174.66 1xe5 n ALA 38 N -0.45 2.27 -2.51 5.32 0.00 -1.26 -0.29 120.51 123.59 1xe5 n ALA 38 Ca 0.04 -1.79 -0.22 0.00 0.00 0.00 0.00 53.44 51.48 1xe5 n ALA 38 Cb 0.64 -0.56 -0.12 0.00 0.00 0.00 0.00 19.45 19.42 1xe5 n ALA 38 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1xe5 s ASN 39 N -1.69 2.51 -0.13 0.00 -0.87 -1.26 -4.62 114.94 108.88 1xe5 s ASN 39 Ca 0.17 -0.77 -0.04 0.00 -1.57 0.00 0.00 52.86 50.66 1xe5 s ASN 39 Cb 0.19 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.25 41.25 1xe5 s ASN 39 CO -0.06 -0.01 0.00 -0.22 -2.57 0.00 0.00 177.10 174.25 1xe5 s LEU 40 N -2.28 3.53 0.01 0.60 2.96 -1.26 -0.51 118.68 121.74 1xe5 s LEU 40 Ca 0.10 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1xe5 s LEU 40 Cb -0.08 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1xe5 s LEU 40 CO 0.05 0.26 0.10 -1.66 -1.32 0.00 0.00 176.35 173.79 1xe5 s TRP 41 N -0.20 0.10 0.01 5.38 1.48 -0.53 -1.16 118.94 124.02 1xe5 s TRP 41 Ca 0.05 -0.25 0.00 0.00 -1.06 0.00 0.00 56.10 54.84 1xe5 s TRP 41 Cb -0.12 -0.08 -0.01 0.00 -1.16 0.00 0.00 33.47 32.09 1xe5 s TRP 41 CO 0.02 -0.28 -0.02 0.54 -4.06 0.00 0.00 176.95 173.15 1xe5 s VAL 42 N -1.53 0.11 -0.09 -0.66 0.11 -0.51 -2.56 120.40 115.26 1xe5 s VAL 42 Ca -0.14 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.18 1xe5 s VAL 42 Cb -0.07 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1xe5 s VAL 42 CO 0.00 -0.21 1.23 -2.16 -3.33 0.00 0.00 175.10 170.64 1xe5 s PRO 43 N -0.67 4.31 0.66 1.54 0.04 -1.26 -1.15 135.00 138.47 1xe5 s PRO 43 Ca -0.07 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 1xe5 s PRO 43 Cb -0.05 -3.63 -0.00 0.00 0.04 0.00 0.00 34.50 30.87 1xe5 s PRO 43 CO -0.00 -0.54 1.24 0.45 0.04 0.00 0.00 177.00 178.19 1xe5 s SER 44 N 1.66 4.62 0.53 6.66 0.15 0.30 -1.06 113.70 126.57 1xe5 s SER 44 Ca 0.56 2.47 0.31 0.00 0.70 0.00 0.00 55.95 59.98 1xe5 s SER 44 Cb -0.24 -2.60 1.44 0.00 -1.71 0.00 0.00 66.02 62.91 1xe5 s SER 44 CO 0.20 -1.98 2.03 1.62 1.20 0.00 0.00 173.24 176.31 1xe5 h VAL 45 N 0.35 0.33 0.00 4.45 3.04 -1.73 -2.42 116.25 120.26 1xe5 h VAL 45 Ca -0.50 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 1xe5 h VAL 45 Cb 1.31 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1xe5 h VAL 45 CO 0.52 0.09 0.00 0.29 -1.01 0.00 0.00 177.57 177.47 1xe5 n LYS 46 N -3.35 0.92 -3.05 4.17 4.76 -1.26 -4.76 118.16 115.60 1xe5 n LYS 46 Ca -0.01 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.03 1xe5 n LYS 46 Cb 0.28 -1.32 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 1xe5 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xe5 n THR 48 N 4.11 0.33 -0.93 0.00 -2.24 -1.26 -4.82 114.28 109.47 1xe5 n THR 48 Ca -0.01 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 1xe5 n THR 48 Cb 0.51 0.91 0.14 0.00 -2.10 0.00 0.00 70.33 69.78 1xe5 n THR 48 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xe5 n THR 49 N 0.19 1.16 0.24 4.28 -1.04 -1.26 -4.82 114.28 113.03 1xe5 n THR 49 Ca 0.04 -0.14 0.08 0.00 -2.04 0.00 0.00 64.05 61.99 1xe5 n THR 49 Cb 0.20 -1.07 0.60 0.00 -1.82 0.00 0.00 70.33 68.23 1xe5 n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xe5 h ALA 50 N -1.29 1.52 -0.26 2.41 0.00 -2.00 -2.46 119.26 117.17 1xe5 h ALA 50 Ca -0.45 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1xe5 h ALA 50 Cb 1.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1xe5 h ALA 50 CO 0.43 0.20 -0.12 0.78 0.00 0.00 0.00 179.25 180.54 1xe5 h GLY 51 N 0.66 0.58 2.00 0.00 0.00 -1.97 -3.20 103.07 101.15 1xe5 h GLY 51 Ca -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 1xe5 h GLY 51 CO 0.02 0.47 -0.18 0.00 0.00 0.00 0.00 176.54 176.85 1xe5 h LEU 53 N 0.00 0.00 -2.59 0.00 5.85 -1.47 -1.92 115.31 115.18 1xe5 h LEU 53 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xe5 h LEU 53 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1xe5 h LEU 53 CO 0.02 0.01 0.00 0.35 -0.34 0.00 0.00 178.44 178.49 1xe5 n THR 54 N -3.40 0.80 -4.45 1.05 -2.24 -1.02 -5.02 114.28 100.01 1xe5 n THR 54 Ca -0.03 -0.90 -0.25 0.00 -2.27 0.00 0.00 64.05 60.61 1xe5 n THR 54 Cb 0.11 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 1xe5 n THR 54 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xe5 s LYS 55 N -1.16 1.85 -0.03 -0.78 -0.14 -0.72 -5.10 119.74 113.66 1xe5 s LYS 55 Ca 0.41 -1.77 -0.30 0.00 -1.36 0.00 0.00 55.97 52.95 1xe5 s LYS 55 Cb 0.22 -1.82 -0.04 0.00 -1.68 0.00 0.00 37.83 34.52 1xe5 s LYS 55 CO 0.30 0.25 1.18 -1.01 -0.76 0.00 0.00 175.35 175.32 1xe5 s HIS 56 N -2.52 3.28 0.19 3.18 3.76 -1.26 -5.02 115.29 116.90 1xe5 s HIS 56 Ca 0.32 1.27 0.07 0.00 -0.15 0.00 0.00 55.06 56.57 1xe5 s HIS 56 Cb -0.02 -3.40 -0.04 0.00 1.11 0.00 0.00 32.58 30.22 1xe5 s HIS 56 CO 0.17 -1.22 0.02 -0.51 -0.85 0.00 0.00 174.74 172.35 1xe5 s LEU 57 N 1.87 3.36 -0.42 0.89 1.43 -1.26 -4.61 118.68 119.95 1xe5 s LEU 57 Ca 0.56 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 1xe5 s LEU 57 Cb -0.25 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.03 1xe5 s LEU 57 CO 0.24 0.07 0.28 -0.47 0.23 0.00 0.00 176.35 176.70 1xe5 s TYR 58 N -1.81 3.28 -0.72 0.29 5.04 -0.22 -4.73 117.35 118.47 1xe5 s TYR 58 Ca 0.28 -1.14 -0.24 0.00 -2.44 0.00 0.00 57.07 53.54 1xe5 s TYR 58 Cb -0.09 -2.81 0.06 0.00 0.35 0.00 0.00 41.96 39.47 1xe5 s TYR 58 CO 0.19 -0.75 1.10 0.34 -1.34 0.00 0.00 175.55 175.08 1xe5 s ASP 59 N 2.01 6.21 0.57 4.32 -1.08 -1.26 -2.21 116.67 125.24 1xe5 s ASP 59 Ca 0.03 -0.91 0.33 0.00 -0.52 0.00 0.00 52.55 51.48 1xe5 s ASP 59 Cb -0.22 -2.47 1.70 0.00 -1.46 0.00 0.00 42.92 40.47 1xe5 s ASP 59 CO 0.05 -1.54 2.14 0.77 0.52 0.00 0.00 175.17 177.11 1xe5 h SER 60 N 9.68 0.00 -1.72 -0.34 4.64 -1.96 -2.74 113.55 121.10 1xe5 h SER 60 Ca -0.23 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.35 1xe5 h SER 60 Cb 1.06 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.86 1xe5 h SER 60 CO 1.22 0.06 0.89 -1.54 -0.87 0.00 0.00 176.83 176.59 1xe5 n SER 61 N -3.41 7.37 -0.98 4.97 3.41 -1.26 -3.92 113.62 119.80 1xe5 n SER 61 Ca -0.02 -3.82 0.03 0.00 -0.26 0.00 0.00 58.87 54.81 1xe5 n SER 61 Cb 0.20 -1.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.19 1xe5 n SER 61 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xe5 n LYS 62 N -0.63 0.24 -3.66 4.33 4.76 -1.03 -5.08 118.16 117.10 1xe5 n LYS 62 Ca 0.55 -1.83 -0.07 0.00 -2.87 0.00 0.00 58.31 54.09 1xe5 n LYS 62 Cb 0.37 -0.43 -0.08 0.00 -1.84 0.00 0.00 35.03 33.04 1xe5 n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1xe5 s SER 63 N -1.84 -0.47 0.55 4.39 1.04 -1.25 -4.55 113.70 111.56 1xe5 s SER 63 Ca 0.23 1.11 0.30 0.00 0.48 0.00 0.00 55.95 58.07 1xe5 s SER 63 Cb 0.25 1.48 1.62 0.00 0.10 0.00 0.00 66.02 69.46 1xe5 s SER 63 CO -0.09 -0.23 2.13 0.03 0.98 0.00 0.00 173.24 176.06 1xe5 h ARG 64 N 8.00 0.00 -0.01 4.02 3.08 -1.98 -3.11 114.38 124.38 1xe5 h ARG 64 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1xe5 h ARG 64 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1xe5 h ARG 64 CO 0.13 0.08 -0.21 0.25 -1.07 0.00 0.00 179.97 179.15 1xe5 n THR 65 N -3.55 0.00 -1.82 2.04 -2.24 -1.26 -4.91 114.28 102.53 1xe5 n THR 65 Ca -0.02 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1xe5 n THR 65 Cb 0.20 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1xe5 n THR 65 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xe5 s TYR 66 N -2.35 2.89 -0.24 4.78 5.04 -1.18 -4.45 117.35 121.84 1xe5 s TYR 66 Ca 0.27 0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 55.54 1xe5 s TYR 66 Cb 0.20 -4.03 0.08 0.00 0.35 0.00 0.00 41.96 38.55 1xe5 s TYR 66 CO 0.47 -3.65 0.05 -1.21 -1.34 0.00 0.00 175.55 169.87 1xe5 s GLU 67 N 0.34 0.80 0.65 4.97 2.02 -0.72 -5.02 118.70 121.74 1xe5 s GLU 67 Ca 0.67 -0.74 -0.18 0.00 0.02 0.00 0.00 54.97 54.74 1xe5 s GLU 67 Cb -0.47 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 1xe5 s GLU 67 CO 0.39 -0.77 1.27 -1.59 0.02 0.00 0.00 175.26 174.58 1xe5 s LYS 68 N 1.71 2.58 0.16 1.61 -2.85 -1.26 -2.93 119.74 118.76 1xe5 s LYS 68 Ca 0.02 2.00 0.00 0.00 -1.00 0.00 0.00 55.97 57.00 1xe5 s LYS 68 Cb -0.17 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1xe5 s LYS 68 CO -0.15 -1.56 0.00 -3.47 0.10 0.00 0.00 175.35 170.27 1xe5 n ASP 69 N -1.93 0.49 0.00 0.03 -0.08 -1.25 -4.89 116.55 108.92 1xe5 n ASP 69 Ca 0.15 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1xe5 n ASP 69 Cb 0.49 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1xe5 n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xe5 n GLY 70 N 2.61 1.56 3.75 0.27 0.00 -0.50 -4.98 105.19 107.91 1xe5 n GLY 70 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xe5 n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xe5 s THR 71 N -2.67 2.58 0.33 2.61 2.01 -1.26 -4.62 115.64 114.63 1xe5 s THR 71 Ca 0.00 0.51 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 1xe5 s THR 71 Cb 0.00 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 69.09 1xe5 s THR 71 CO 0.00 0.09 1.20 -0.54 -0.69 0.00 0.00 174.62 174.68 1xe5 s LYS 72 N -0.81 4.38 -0.03 4.92 1.02 -1.26 -0.37 119.74 127.60 1xe5 s LYS 72 Ca 0.57 1.97 -0.02 0.00 0.02 0.00 0.00 55.97 58.52 1xe5 s LYS 72 Cb -0.42 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1xe5 s LYS 72 CO 0.47 -0.08 0.07 0.08 -0.92 0.00 0.00 175.35 174.97 1xe5 s VAL 73 N -1.22 -0.02 -0.35 3.17 1.01 -0.84 -4.87 120.40 117.28 1xe5 s VAL 73 Ca 0.49 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 1xe5 s VAL 73 Cb -0.35 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1xe5 s VAL 73 CO 0.45 0.03 0.16 -0.70 0.00 0.00 0.00 175.10 175.04 1xe5 s GLU 74 N 0.36 2.89 -0.36 2.72 2.12 -1.26 -1.99 118.70 123.18 1xe5 s GLU 74 Ca -0.03 -1.02 -0.22 0.00 0.36 0.00 0.00 54.97 54.06 1xe5 s GLU 74 Cb -0.04 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.75 1xe5 s GLU 74 CO -0.01 -0.62 0.72 1.41 -0.54 0.00 0.00 175.26 176.22 1xe5 s MET 75 N 1.52 3.72 -0.13 4.30 -2.45 -0.34 -5.00 119.30 120.91 1xe5 s MET 75 Ca 0.02 0.20 -0.05 0.00 -1.25 0.00 0.00 55.69 54.60 1xe5 s MET 75 Cb -0.19 -3.81 -0.04 0.00 1.25 0.00 0.00 34.83 32.05 1xe5 s MET 75 CO 0.05 -0.80 0.05 -0.80 1.05 0.00 0.00 175.02 174.57 1xe5 s ASN 76 N 1.82 5.63 0.16 1.11 0.01 -1.26 -1.88 114.94 120.53 1xe5 s ASN 76 Ca 0.28 0.19 0.05 0.00 -0.71 0.00 0.00 52.86 52.67 1xe5 s ASN 76 Cb -0.14 -1.80 -0.05 0.00 0.41 0.00 0.00 41.25 39.68 1xe5 s ASN 76 CO 0.16 0.31 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.65 1xe5 s TYR 77 N -0.43 1.36 0.27 2.20 2.02 -0.29 -5.02 117.35 117.46 1xe5 s TYR 77 Ca 0.09 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 1xe5 s TYR 77 Cb -0.12 -0.69 0.50 0.00 -0.40 0.00 0.00 41.96 41.24 1xe5 s TYR 77 CO 0.02 0.10 1.81 0.28 -1.57 0.00 0.00 175.55 176.19 1xe5 h VAL 78 N 2.71 0.88 -0.01 0.71 2.07 -2.00 -2.87 116.25 117.75 1xe5 h VAL 78 Ca -0.37 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1xe5 h VAL 78 Cb 1.20 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1xe5 h VAL 78 CO 0.63 0.15 -0.31 -1.20 0.02 0.00 0.00 177.57 176.87 1xe5 n SER 79 N -4.71 1.24 0.00 0.57 7.64 -1.26 -5.02 113.62 112.08 1xe5 n SER 79 Ca 0.17 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1xe5 n SER 79 Cb 0.35 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1xe5 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xe5 n GLY 80 N 1.36 1.00 3.27 0.23 0.00 -1.08 -4.86 105.19 105.09 1xe5 n GLY 80 Ca 0.11 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1xe5 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xe5 s THR 81 N -2.00 1.67 -0.01 2.61 2.01 -0.79 -1.13 115.64 117.99 1xe5 s THR 81 Ca 0.00 -1.38 0.02 0.00 0.31 0.00 0.00 61.69 60.65 1xe5 s THR 81 Cb 0.00 -1.49 -0.00 0.00 0.01 0.00 0.00 72.50 71.02 1xe5 s THR 81 CO 0.00 0.06 -0.08 0.54 -0.69 0.00 0.00 174.62 174.45 1xe5 s VAL 82 N -1.00 0.64 0.22 3.82 0.11 -0.79 -2.69 120.40 120.72 1xe5 s VAL 82 Ca 0.07 -0.32 0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1xe5 s VAL 82 Cb -0.09 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1xe5 s VAL 82 CO 0.03 0.19 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.34 1xe5 s SER 83 N -0.01 3.32 0.00 3.54 0.01 -0.82 -1.20 113.70 118.54 1xe5 s SER 83 Ca 0.00 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1xe5 s SER 83 Cb -0.05 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1xe5 s SER 83 CO -0.00 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1xe5 n GLY 84 N -0.12 -0.94 3.36 3.44 0.00 -0.84 -1.86 105.19 108.23 1xe5 n GLY 84 Ca -0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1xe5 n GLY 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xe5 s PHE 85 N -4.00 -0.37 0.47 1.61 -0.12 -0.20 -1.99 117.98 113.38 1xe5 s PHE 85 Ca 0.00 0.48 -0.22 0.00 -0.05 0.00 0.00 56.93 57.14 1xe5 s PHE 85 Cb 0.00 0.26 -0.07 0.00 -0.63 0.00 0.00 43.02 42.58 1xe5 s PHE 85 CO 0.00 -0.56 1.14 -0.06 -0.05 0.00 0.00 175.22 175.70 1xe5 s PHE 86 N -1.95 2.89 0.33 3.49 0.08 0.50 -0.95 117.98 122.37 1xe5 s PHE 86 Ca -0.08 1.55 -0.05 0.00 0.12 0.00 0.00 56.93 58.47 1xe5 s PHE 86 Cb -0.02 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1xe5 s PHE 86 CO 0.02 -1.40 0.48 -1.12 -0.10 0.00 0.00 175.22 173.10 1xe5 s SER 87 N -1.46 0.68 -0.04 1.36 0.01 -0.17 -1.41 113.70 112.68 1xe5 s SER 87 Ca 0.64 -1.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.44 1xe5 s SER 87 Cb -0.27 0.65 0.01 0.00 0.21 0.00 0.00 66.02 66.63 1xe5 s SER 87 CO 0.32 -1.28 0.19 -0.75 0.41 0.00 0.00 173.24 172.14 1xe5 s LYS 88 N -3.19 0.37 0.02 12.44 2.20 -1.15 -1.67 119.74 128.76 1xe5 s LYS 88 Ca 0.29 -0.01 -0.27 0.00 -0.36 0.00 0.00 55.97 55.62 1xe5 s LYS 88 Cb -0.00 0.17 0.09 0.00 -1.51 0.00 0.00 37.83 36.58 1xe5 s LYS 88 CO 0.18 -0.08 1.24 0.34 -0.36 0.00 0.00 175.35 176.67 1xe5 s ASP 89 N -0.57 -0.00 -0.32 1.43 -1.08 -1.06 -1.75 116.67 113.33 1xe5 s ASP 89 Ca -0.07 -0.28 -0.29 0.00 -0.52 0.00 0.00 52.55 51.39 1xe5 s ASP 89 Cb -0.04 0.21 0.01 0.00 -1.46 0.00 0.00 42.92 41.64 1xe5 s ASP 89 CO 0.01 -0.42 1.11 -0.22 0.52 0.00 0.00 175.17 176.18 1xe5 s LEU 90 N -3.67 3.92 -0.31 -1.34 2.96 -1.26 -0.78 118.68 118.20 1xe5 s LEU 90 Ca 0.27 1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 55.12 1xe5 s LEU 90 Cb -0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1xe5 s LEU 90 CO 0.00 -0.92 0.20 -0.69 -1.32 0.00 0.00 176.35 173.62 1xe5 s VAL 91 N 3.78 5.18 -0.30 1.68 1.01 -0.78 -1.40 120.40 129.56 1xe5 s VAL 91 Ca 0.47 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 1xe5 s VAL 91 Cb -0.13 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1xe5 s VAL 91 CO 0.17 0.13 0.13 -0.89 0.00 0.00 0.00 175.10 174.64 1xe5 s THR 92 N 1.72 4.48 -0.29 3.92 2.01 -0.68 -2.49 115.64 124.31 1xe5 s THR 92 Ca 0.06 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1xe5 s THR 92 Cb -0.17 -3.27 0.08 0.00 0.01 0.00 0.00 72.50 69.15 1xe5 s THR 92 CO 0.10 0.10 -0.03 0.68 -0.69 0.00 0.00 174.62 174.77 1xe5 s VAL 93 N 1.60 2.13 0.00 3.82 -7.23 -0.76 -1.37 120.40 118.59 1xe5 s VAL 93 Ca 0.04 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 1xe5 s VAL 93 Cb -0.17 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1xe5 s VAL 93 CO 0.05 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1xe5 n GLY 94 N 4.38 2.07 0.10 2.32 0.00 -1.26 -2.65 105.19 110.15 1xe5 n GLY 94 Ca -0.06 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1xe5 n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xe5 n ASN 95 N 7.14 0.89 -4.81 1.61 0.23 -1.26 -5.08 115.26 113.98 1xe5 n ASN 95 Ca 0.00 -1.74 -0.22 0.00 -0.53 0.00 0.00 54.58 52.09 1xe5 n ASN 95 Cb 0.00 -0.09 -0.05 0.00 -2.08 0.00 0.00 39.78 37.56 1xe5 n ASN 95 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xe5 s LEU 96 N -0.67 3.35 0.01 -4.53 1.43 -1.08 -5.15 118.68 112.05 1xe5 s LEU 96 Ca 0.04 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.23 1xe5 s LEU 96 Cb 0.04 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1xe5 s LEU 96 CO 0.00 -0.48 0.33 -0.44 0.23 0.00 0.00 176.35 176.00 1xe5 s SER 97 N -3.99 -0.19 -0.26 2.29 0.01 -1.26 -1.83 113.70 108.47 1xe5 s SER 97 Ca 0.43 -0.01 -0.26 0.00 1.31 0.00 0.00 55.95 57.42 1xe5 s SER 97 Cb -0.02 0.35 0.13 0.00 0.21 0.00 0.00 66.02 66.68 1xe5 s SER 97 CO 0.25 -0.54 1.05 -1.48 0.41 0.00 0.00 173.24 172.93 1xe5 s LEU 98 N -1.69 -0.42 -0.07 2.44 2.34 -1.04 -4.99 118.68 115.26 1xe5 s LEU 98 Ca -0.09 0.75 -0.35 0.00 0.06 0.00 0.00 54.13 54.51 1xe5 s LEU 98 Cb -0.03 1.84 -0.12 0.00 -0.56 0.00 0.00 46.19 47.31 1xe5 s LEU 98 CO 0.01 -0.17 1.82 -2.65 -1.06 0.00 0.00 176.35 174.29 1xe5 n PRO 99 N 1.95 2.06 -3.92 1.48 -0.02 -1.26 -1.86 135.00 133.43 1xe5 n PRO 99 Ca -0.12 0.75 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 1xe5 n PRO 99 Cb 0.56 -2.57 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 1xe5 n PRO 99 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1xe5 s TYR 100 N 3.51 0.15 0.12 6.00 5.04 0.04 -4.94 117.35 127.26 1xe5 s TYR 100 Ca 0.91 0.01 -0.30 0.00 -2.44 0.00 0.00 57.07 55.25 1xe5 s TYR 100 Cb -0.73 -0.18 -0.06 0.00 0.35 0.00 0.00 41.96 41.34 1xe5 s TYR 100 CO 0.51 -0.04 1.06 0.21 -1.34 0.00 0.00 175.55 175.94 1xe5 s LYS 101 N 0.37 4.60 0.27 4.97 2.20 -1.26 -2.55 119.74 128.34 1xe5 s LYS 101 Ca -0.03 1.60 -0.13 0.00 -0.36 0.00 0.00 55.97 57.05 1xe5 s LYS 101 Cb -0.05 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1xe5 s LYS 101 CO -0.01 0.05 0.54 -0.59 -0.36 0.00 0.00 175.35 174.99 1xe5 s PHE 102 N 0.19 0.32 -0.22 4.03 -0.12 -0.67 -4.76 117.98 116.75 1xe5 s PHE 102 Ca 0.50 -0.71 -0.09 0.00 -0.05 0.00 0.00 56.93 56.59 1xe5 s PHE 102 Cb -0.26 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1xe5 s PHE 102 CO 0.31 -1.10 0.10 0.42 -0.05 0.00 0.00 175.22 174.91 1xe5 s ILE 103 N -3.77 4.90 -0.28 -4.49 1.01 -0.31 -1.00 121.20 117.26 1xe5 s ILE 103 Ca 0.21 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 1xe5 s ILE 103 Cb -0.02 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 1xe5 s ILE 103 CO 0.10 0.39 0.64 -0.70 0.00 0.00 0.00 174.94 175.37 1xe5 s GLU 104 N 0.89 4.02 -0.18 2.79 2.12 -0.13 -1.43 118.70 126.78 1xe5 s GLU 104 Ca 0.05 0.45 -0.10 0.00 0.36 0.00 0.00 54.97 55.74 1xe5 s GLU 104 Cb -0.13 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 1xe5 s GLU 104 CO 0.03 -0.50 0.15 0.08 -0.54 0.00 0.00 175.26 174.48 1xe5 s VAL 105 N 2.58 5.42 0.00 3.70 1.01 -0.30 -1.03 120.40 131.78 1xe5 s VAL 105 Ca 0.26 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1xe5 s VAL 105 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1xe5 s VAL 105 CO 0.10 0.48 0.34 2.30 0.00 0.00 0.00 175.10 178.32 1xe5 n ILE 106 N 3.15 0.00 -3.72 2.22 -5.35 -0.78 -0.54 119.36 114.35 1xe5 n ILE 106 Ca -0.17 -0.47 -0.23 0.00 -0.27 0.00 0.00 62.75 61.62 1xe5 n ILE 106 Cb 0.53 1.05 -0.17 0.00 -1.74 0.00 0.00 39.64 39.30 1xe5 n ILE 106 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xe5 s ASP 107 N -0.26 1.75 0.00 7.28 2.15 -1.05 -4.55 116.67 121.99 1xe5 s ASP 107 Ca 0.00 -0.21 0.03 0.00 0.43 0.00 0.00 52.55 52.80 1xe5 s ASP 107 Cb 0.00 -0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.27 1xe5 s ASP 107 CO 0.00 -0.25 0.41 0.35 -0.17 0.00 0.00 175.17 175.51 1xe5 n THR 108 N 5.19 0.00 0.25 1.71 -2.24 -1.26 -1.94 114.28 115.99 1xe5 n THR 108 Ca -0.06 -0.47 0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1xe5 n THR 108 Cb 0.49 1.04 0.65 0.00 -2.10 0.00 0.00 70.33 70.42 1xe5 n THR 108 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xe5 h ASN 109 N 0.40 0.00 0.22 3.42 2.35 -1.96 -0.50 115.58 119.51 1xe5 h ASN 109 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xe5 h ASN 109 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1xe5 h ASN 109 CO 0.00 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.48 1xe5 n GLY 110 N -1.18 -0.72 0.44 2.83 0.00 -1.24 -2.27 105.19 103.04 1xe5 n GLY 110 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1xe5 n GLY 110 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xe5 n PHE 111 N -1.51 0.25 -4.09 1.61 -0.00 -0.20 -1.89 117.46 111.63 1xe5 n PHE 111 Ca 0.02 -1.17 -0.26 0.00 -0.00 0.00 0.00 57.45 56.03 1xe5 n PHE 111 Cb 0.07 -0.24 -0.06 0.00 -0.00 0.00 0.00 39.48 39.26 1xe5 n PHE 111 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1xe5 s GLU 112 N -3.00 2.85 0.00 -4.13 0.41 -0.96 -1.73 118.70 112.14 1xe5 s GLU 112 Ca 0.36 -0.89 0.17 0.00 -0.41 0.00 0.00 54.97 54.21 1xe5 s GLU 112 Cb 0.33 -2.62 0.76 0.00 -1.78 0.00 0.00 34.13 30.81 1xe5 s GLU 112 CO 0.01 0.48 1.52 -0.35 -0.49 0.00 0.00 175.26 176.44 1xe5 n PRO 113 N -0.30 1.43 -0.17 0.39 -0.04 -1.26 -4.92 135.00 130.13 1xe5 n PRO 113 Ca -0.08 -0.66 -0.08 0.00 -0.04 0.00 0.00 63.50 62.64 1xe5 n PRO 113 Cb 0.55 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.70 1xe5 n PRO 113 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xe5 h THR 114 N 1.27 1.20 0.17 0.52 2.02 -1.96 -2.99 112.91 113.15 1xe5 h THR 114 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1xe5 h THR 114 Cb 0.28 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1xe5 h THR 114 CO 0.00 0.23 -0.16 0.22 0.37 0.00 0.00 175.52 176.18 1xe5 h TYR 115 N 0.65 -0.41 -0.48 3.16 3.20 -1.69 -1.58 116.97 119.83 1xe5 h TYR 115 Ca 0.17 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1xe5 h TYR 115 Cb 0.16 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1xe5 h TYR 115 CO -0.00 -0.24 0.05 1.15 -1.64 0.00 0.00 178.16 177.48 1xe5 h THR 116 N -0.35 1.23 0.00 1.81 2.02 -1.85 -2.96 112.91 112.81 1xe5 h THR 116 Ca -0.00 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1xe5 h THR 116 Cb 0.33 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1xe5 h THR 116 CO -0.03 0.32 0.00 0.00 0.37 0.00 0.00 175.52 176.18 1xe5 n ALA 117 N -2.47 2.09 -2.08 6.16 0.00 -0.91 -4.81 120.51 118.49 1xe5 n ALA 117 Ca 0.03 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 1xe5 n ALA 117 Cb 0.26 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.29 1xe5 n ALA 117 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xe5 s SER 118 N -4.45 5.30 0.00 0.00 0.01 -0.64 -5.06 113.70 108.86 1xe5 s SER 118 Ca 0.09 -0.67 0.19 0.00 1.31 0.00 0.00 55.95 56.86 1xe5 s SER 118 Cb 0.11 -0.26 0.18 0.00 0.21 0.00 0.00 66.02 66.27 1xe5 s SER 118 CO 0.54 -0.95 1.13 0.35 0.41 0.00 0.00 173.24 174.71 1xe5 n THR 119 N -1.92 0.09 -2.70 1.44 -2.24 -1.26 -4.95 114.28 102.73 1xe5 n THR 119 Ca 0.09 -0.54 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 1xe5 n THR 119 Cb 0.61 1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 70.10 1xe5 n THR 119 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1xe5 s PHE 120 N -1.54 3.38 -0.24 4.78 -0.71 -1.26 -4.82 117.98 117.57 1xe5 s PHE 120 Ca 0.24 1.46 -0.07 0.00 -1.04 0.00 0.00 56.93 57.52 1xe5 s PHE 120 Cb 0.16 -2.76 -0.17 0.00 -1.21 0.00 0.00 43.02 39.05 1xe5 s PHE 120 CO 0.24 -0.18 -0.16 -0.25 -1.34 0.00 0.00 175.22 173.53 1xe5 n ASP 121 N -1.02 1.98 -1.13 1.98 8.00 0.52 -4.99 116.55 121.90 1xe5 n ASP 121 Ca 0.06 0.12 -0.01 0.00 0.71 0.00 0.00 54.79 55.67 1xe5 n ASP 121 Cb 0.54 -0.66 -0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1xe5 n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xe5 n GLY 122 N 1.81 3.60 2.96 0.44 0.00 -1.11 -4.26 105.19 108.63 1xe5 n GLY 122 Ca -0.46 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 1xe5 n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xe5 s ILE 123 N -2.24 1.04 -0.39 -0.61 1.01 -1.06 -2.05 121.20 116.90 1xe5 s ILE 123 Ca 0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 1xe5 s ILE 123 Cb 0.00 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.51 1xe5 s ILE 123 CO 0.02 0.35 0.24 -0.22 0.00 0.00 0.00 174.94 175.32 1xe5 s LEU 124 N 1.17 4.91 0.38 2.97 0.20 -0.17 -1.45 118.68 126.69 1xe5 s LEU 124 Ca -0.05 -1.13 -0.24 0.00 0.69 0.00 0.00 54.13 53.40 1xe5 s LEU 124 Cb -0.14 -2.03 -0.10 0.00 -0.43 0.00 0.00 46.19 43.49 1xe5 s LEU 124 CO -0.02 -0.44 0.98 -0.83 -0.29 0.00 0.00 176.35 175.74 1xe5 s GLY 125 N 1.76 2.67 -0.11 7.98 0.00 0.33 -1.14 107.32 118.80 1xe5 s GLY 125 Ca 0.02 0.55 0.20 0.00 0.00 0.00 0.00 44.72 45.49 1xe5 s GLY 125 CO 0.06 0.94 1.18 1.04 0.00 0.00 0.00 173.10 176.32 1xe5 n LEU 126 N 0.01 1.84 0.00 0.66 4.77 0.10 -4.58 117.00 119.80 1xe5 n LEU 126 Ca 0.04 -2.88 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 1xe5 n LEU 126 Cb 0.51 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1xe5 n LEU 126 CO 0.42 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 1xe5 n GLY 127 N -0.20 0.89 3.95 -0.72 0.00 0.60 -4.72 105.19 104.99 1xe5 n GLY 127 Ca 0.13 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 1xe5 n GLY 127 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xe5 s TRP 128 N 1.24 3.34 0.26 1.61 0.52 -1.09 -4.72 118.94 120.09 1xe5 s TRP 128 Ca 0.00 0.26 -0.02 0.00 0.02 0.00 0.00 56.10 56.36 1xe5 s TRP 128 Cb 0.00 -2.11 0.50 0.00 -1.15 0.00 0.00 33.47 30.70 1xe5 s TRP 128 CO 0.00 -0.13 1.76 -0.22 0.02 0.00 0.00 176.95 178.38 1xe5 h LYS 129 N 0.58 0.59 0.00 4.98 3.64 -1.86 -2.47 116.57 122.03 1xe5 h LYS 129 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1xe5 h LYS 129 Cb 1.24 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1xe5 h LYS 129 CO 0.59 0.39 0.00 -0.25 -2.27 0.00 0.00 179.45 177.91 1xe5 n ASP 130 N -4.88 0.65 0.15 4.20 9.92 -1.26 -1.73 116.55 123.59 1xe5 n ASP 130 Ca 0.16 0.65 0.09 0.00 -0.53 0.00 0.00 54.79 55.16 1xe5 n ASP 130 Cb 0.41 -0.79 0.06 0.00 -0.64 0.00 0.00 41.12 40.16 1xe5 n ASP 130 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1xe5 h LEU 131 N 0.00 0.00-10.44 0.64 5.85 -1.68 -3.48 115.31 106.19 1xe5 h LEU 131 Ca 0.00 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.25 1xe5 h LEU 131 Cb 0.40 0.00 0.13 0.00 0.37 0.00 0.00 40.66 41.56 1xe5 h LEU 131 CO 0.00 0.14 0.30 -0.94 -0.34 0.00 0.00 178.44 177.59 1xe5 s SER 132 N -5.90 3.70 -0.15 1.25 1.04 -0.71 -4.65 113.70 108.29 1xe5 s SER 132 Ca 0.03 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1xe5 s SER 132 Cb 0.07 -1.76 -0.01 0.00 0.10 0.00 0.00 66.02 64.43 1xe5 s SER 132 CO 0.74 -2.45 -0.15 -0.63 0.98 0.00 0.00 173.24 171.73 1xe5 s ILE 133 N -3.19 2.77 0.00 -1.02 1.01 -1.26 -4.48 121.20 115.03 1xe5 s ILE 133 Ca 0.63 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1xe5 s ILE 133 Cb -0.15 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1xe5 s ILE 133 CO 0.54 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.61 1xe5 n GLY 134 N 3.88 0.74 3.44 6.18 0.00 -1.26 -4.53 105.19 113.63 1xe5 n GLY 134 Ca -0.19 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 1xe5 n GLY 134 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xe5 n SER 135 N 0.70 -1.92 -4.72 1.61 3.41 -1.26 -4.90 113.62 106.54 1xe5 n SER 135 Ca 0.00 -0.49 -0.38 0.00 -0.26 0.00 0.00 58.87 57.74 1xe5 n SER 135 Cb 0.00 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 1xe5 n SER 135 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xe5 s VAL 136 N -3.31 5.20 0.22 -3.33 1.01 -1.26 -5.05 120.40 113.87 1xe5 s VAL 136 Ca 0.10 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 1xe5 s VAL 136 Cb -0.05 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1xe5 s VAL 136 CO 0.40 0.32 1.21 -1.81 0.00 0.00 0.00 175.10 175.23 1xe5 s ASP 137 N 0.65 7.05 0.49 3.32 1.01 -1.26 -4.47 116.67 123.45 1xe5 s ASP 137 Ca 0.25 2.33 -0.22 0.00 0.71 0.00 0.00 52.55 55.62 1xe5 s ASP 137 Cb -0.15 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.08 1xe5 s ASP 137 CO 0.10 -0.38 1.03 -2.65 0.21 0.00 0.00 175.17 173.48 1xe5 n PRO 138 N 2.05 1.28 -0.24 8.23 -0.02 -1.26 -4.81 135.00 140.23 1xe5 n PRO 138 Ca 0.03 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 1xe5 n PRO 138 Cb 0.44 -2.14 0.14 0.00 -0.02 0.00 0.00 33.50 31.92 1xe5 n PRO 138 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1xe5 h ILE 139 N 1.23 0.38 -0.03 4.25 2.04 -1.93 -1.93 117.51 121.53 1xe5 h ILE 139 Ca -0.47 -0.04 -0.18 0.00 1.00 0.00 0.00 64.86 65.18 1xe5 h ILE 139 Cb 1.34 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1xe5 h ILE 139 CO 0.55 0.02 -0.78 0.58 0.00 0.00 0.00 178.15 178.52 1xe5 h VAL 140 N 0.11 1.45 -0.15 1.67 2.07 -1.97 0.71 116.25 120.13 1xe5 h VAL 140 Ca 0.39 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1xe5 h VAL 140 Cb 0.66 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1xe5 h VAL 140 CO -0.63 0.70 0.06 0.58 0.02 0.00 0.00 177.57 178.30 1xe5 h VAL 141 N 0.15 1.14 -0.15 2.57 2.07 -1.80 -2.61 116.25 117.63 1xe5 h VAL 141 Ca -0.03 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 1xe5 h VAL 141 Cb 1.37 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1xe5 h VAL 141 CO 0.12 0.13 -0.35 -0.33 0.02 0.00 0.00 177.57 177.17 1xe5 h GLU 142 N 0.09 0.31 0.00 1.57 5.08 -1.18 -2.07 114.58 118.38 1xe5 h GLU 142 Ca 0.05 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1xe5 h GLU 142 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1xe5 h GLU 142 CO -0.00 0.62 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.20 1xe5 h LEU 143 N 0.27 0.00 0.13 1.33 3.38 -0.79 -2.19 115.31 117.44 1xe5 h LEU 143 Ca 0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 1xe5 h LEU 143 Cb 0.75 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.52 1xe5 h LEU 143 CO 0.06 0.36 -1.16 0.50 0.09 0.00 0.00 178.44 178.29 1xe5 h LYS 144 N 0.00 0.55 -0.14 1.13 3.11 -1.09 -1.86 116.57 118.26 1xe5 h LYS 144 Ca -0.00 -0.77 0.04 0.00 -2.81 0.00 0.00 60.65 57.11 1xe5 h LYS 144 Cb 0.65 0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 1xe5 h LYS 144 CO 0.05 1.35 0.10 -0.91 -2.81 0.00 0.00 179.45 177.23 1xe5 h ASN 145 N 0.12 0.00 -0.41 4.20 2.35 -1.22 -0.90 115.58 119.73 1xe5 h ASN 145 Ca -0.18 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1xe5 h ASN 145 Cb 1.86 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.21 1xe5 h ASN 145 CO 0.22 0.00 0.04 0.00 -1.65 0.00 0.00 177.43 176.04 1xe5 n GLN 146 N -4.43 3.48 -3.45 0.81 6.02 -0.84 -4.93 117.38 114.03 1xe5 n GLN 146 Ca 0.00 -2.11 -0.26 0.00 -0.01 0.00 0.00 57.00 54.63 1xe5 n GLN 146 Cb 0.23 -2.00 -0.05 0.00 1.02 0.00 0.00 30.24 29.44 1xe5 n GLN 146 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xe5 n ASN 147 N 0.33 -1.28 0.02 1.08 3.02 -0.34 -4.80 115.26 113.29 1xe5 n ASN 147 Ca 0.21 -0.65 0.13 0.00 -0.03 0.00 0.00 54.58 54.24 1xe5 n ASN 147 Cb 0.92 -1.14 0.34 0.00 -0.61 0.00 0.00 39.78 39.30 1xe5 n ASN 147 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xe5 n LYS 148 N -2.97 0.08 -3.97 3.52 5.02 -0.70 -4.92 118.16 114.21 1xe5 n LYS 148 Ca 0.07 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 1xe5 n LYS 148 Cb 0.36 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 1xe5 n LYS 148 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1xe5 s ILE 149 N -3.04 0.15 0.12 -0.18 -4.36 -1.23 -5.02 121.20 107.63 1xe5 s ILE 149 Ca 0.11 -1.21 -0.15 0.00 -0.26 0.00 0.00 60.65 59.14 1xe5 s ILE 149 Cb 0.17 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.94 1xe5 s ILE 149 CO 0.65 -0.67 1.53 -0.33 0.24 0.00 0.00 174.94 176.37 1xe5 h GLU 150 N 3.74 0.71 -4.35 0.37 4.39 -1.92 -3.45 114.58 114.07 1xe5 h GLU 150 Ca -0.33 -0.26 -0.32 0.00 0.34 0.00 0.00 59.36 58.79 1xe5 h GLU 150 Cb 1.18 -0.05 -0.28 0.00 -0.10 0.00 0.00 28.75 29.51 1xe5 h GLU 150 CO 0.52 0.84 -0.75 -0.80 -1.16 0.00 0.00 179.01 177.66 1xe5 s ASN 151 N -6.29 0.65 -1.22 1.42 0.01 -0.65 -5.05 114.94 103.81 1xe5 s ASN 151 Ca -0.13 -0.14 -0.19 0.00 -0.71 0.00 0.00 52.86 51.69 1xe5 s ASN 151 Cb 0.10 -0.06 -0.01 0.00 0.41 0.00 0.00 41.25 41.69 1xe5 s ASN 151 CO 0.80 0.04 1.91 0.00 -1.51 0.00 0.00 177.10 178.34 1xe5 n ALA 152 N 2.80 3.40 -3.49 0.60 0.00 -1.26 -4.03 120.51 118.52 1xe5 n ALA 152 Ca -0.14 -3.55 -0.18 0.00 0.00 0.00 0.00 53.44 49.57 1xe5 n ALA 152 Cb 0.58 -3.56 -0.06 0.00 0.00 0.00 0.00 19.45 16.40 1xe5 n ALA 152 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1xe5 s LEU 153 N 5.30 -0.53 0.24 0.00 0.05 -1.26 -0.94 118.68 121.54 1xe5 s LEU 153 Ca 0.57 0.66 0.01 0.00 0.05 0.00 0.00 54.13 55.42 1xe5 s LEU 153 Cb 0.06 2.43 -0.05 0.00 -2.05 0.00 0.00 46.19 46.59 1xe5 s LEU 153 CO 0.07 -0.60 0.09 0.72 -0.55 0.00 0.00 176.35 176.08 1xe5 s PHE 154 N -1.23 1.43 0.01 3.48 -0.12 -0.00 -1.38 117.98 120.16 1xe5 s PHE 154 Ca -0.11 -1.19 0.00 0.00 -0.05 0.00 0.00 56.93 55.59 1xe5 s PHE 154 Cb -0.00 -0.82 -0.01 0.00 -0.63 0.00 0.00 43.02 41.56 1xe5 s PHE 154 CO 0.09 -0.36 -0.02 0.99 -0.05 0.00 0.00 175.22 175.87 1xe5 s THR 155 N -3.80 0.09 -0.20 -4.49 2.01 0.23 0.23 115.64 109.70 1xe5 s THR 155 Ca 0.36 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1xe5 s THR 155 Cb 0.07 -0.15 0.04 0.00 0.01 0.00 0.00 72.50 72.47 1xe5 s THR 155 CO 0.12 -0.17 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.37 1xe5 s PHE 156 N -0.55 2.77 -0.40 4.92 0.08 -0.51 -1.85 117.98 122.44 1xe5 s PHE 156 Ca -0.06 -1.78 -0.04 0.00 0.12 0.00 0.00 56.93 55.17 1xe5 s PHE 156 Cb -0.04 -1.83 0.10 0.00 -0.57 0.00 0.00 43.02 40.68 1xe5 s PHE 156 CO -0.00 -0.80 0.20 -0.47 -0.10 0.00 0.00 175.22 174.04 1xe5 s TYR 157 N 1.28 3.49 0.38 0.36 5.04 -0.40 -2.78 117.35 124.72 1xe5 s TYR 157 Ca -0.00 -2.15 -0.24 0.00 -2.44 0.00 0.00 57.07 52.24 1xe5 s TYR 157 Cb -0.16 -3.05 -0.10 0.00 0.35 0.00 0.00 41.96 39.01 1xe5 s TYR 157 CO -0.10 -0.93 0.98 -0.51 -1.34 0.00 0.00 175.55 173.65 1xe5 s LEU 158 N 1.22 4.16 0.48 6.97 1.43 -1.26 -0.32 118.68 131.36 1xe5 s LEU 158 Ca 0.05 1.85 -0.22 0.00 -1.03 0.00 0.00 54.13 54.79 1xe5 s LEU 158 Cb -0.23 -4.22 -0.07 0.00 0.03 0.00 0.00 46.19 41.70 1xe5 s LEU 158 CO -0.02 -0.28 1.13 -2.16 0.23 0.00 0.00 176.35 175.25 1xe5 s PRO 159 N -2.51 3.70 0.01 1.29 0.04 -1.26 -4.62 135.00 131.65 1xe5 s PRO 159 Ca 0.56 1.67 0.09 0.00 0.04 0.00 0.00 61.00 63.35 1xe5 s PRO 159 Cb -0.17 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1xe5 s PRO 159 CO 0.22 -0.58 -0.26 0.08 0.04 0.00 0.00 177.00 176.50 1xe5 s VAL 160 N -1.66 2.08 0.00 -0.36 1.01 -1.04 -4.86 120.40 115.58 1xe5 s VAL 160 Ca 0.66 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1xe5 s VAL 160 Cb -0.26 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1xe5 s VAL 160 CO 0.30 0.49 0.73 1.57 0.00 0.00 0.00 175.10 178.19 1xe5 n HIS 161 N 2.15 0.00 0.31 5.22 -0.00 -1.26 -1.98 115.22 119.65 1xe5 n HIS 161 Ca -0.16 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 57.96 1xe5 n HIS 161 Cb 0.51 -0.23 0.08 0.00 -0.12 0.00 0.00 29.99 30.23 1xe5 n HIS 161 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1xe5 n ASP 162 N -1.34 3.06 0.07 0.26 8.00 -1.26 -4.41 116.55 120.93 1xe5 n ASP 162 Ca 0.00 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.04 1xe5 n ASP 162 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1xe5 n ASP 162 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xe5 n LYS 163 N 0.03 0.00 -3.76 -1.24 4.76 -1.00 -5.15 118.16 111.80 1xe5 n LYS 163 Ca 0.17 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.52 1xe5 n LYS 163 Cb 0.80 -0.37 -0.03 0.00 -1.84 0.00 0.00 35.03 33.58 1xe5 n LYS 163 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1xe5 s HIS 164 N -2.00 -0.17 0.86 2.13 -3.43 -0.84 -4.93 115.29 106.91 1xe5 s HIS 164 Ca 0.00 -0.20 -0.10 0.00 -0.80 0.00 0.00 55.06 53.97 1xe5 s HIS 164 Cb 0.00 0.52 0.19 0.00 -1.43 0.00 0.00 32.58 31.86 1xe5 s HIS 164 CO 0.00 -1.04 1.18 0.25 -2.00 0.00 0.00 174.74 173.13 1xe5 n THR 165 N -0.40 0.00 -4.39 -5.38 -2.24 -1.26 -2.49 114.28 98.12 1xe5 n THR 165 Ca -0.08 -1.22 -0.19 0.00 -2.27 0.00 0.00 64.05 60.29 1xe5 n THR 165 Cb 0.61 -1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 67.54 1xe5 n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xe5 n GLY 166 N -3.17 3.51 3.30 3.38 0.00 -1.09 -4.34 105.19 106.78 1xe5 n GLY 166 Ca 0.16 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 1xe5 n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xe5 s PHE 167 N -2.62 -0.46 -0.36 1.61 0.08 0.56 -1.42 117.98 115.37 1xe5 s PHE 167 Ca 0.13 1.10 -0.15 0.00 0.12 0.00 0.00 56.93 58.14 1xe5 s PHE 167 Cb 0.01 0.16 -0.00 0.00 -0.57 0.00 0.00 43.02 42.61 1xe5 s PHE 167 CO 0.09 -0.22 0.33 -1.17 -0.10 0.00 0.00 175.22 174.15 1xe5 s LEU 168 N 0.27 4.62 -0.26 -0.37 2.96 -0.35 -1.28 118.68 124.27 1xe5 s LEU 168 Ca -0.00 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 1xe5 s LEU 168 Cb -0.03 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1xe5 s LEU 168 CO -0.00 -0.36 0.17 -0.89 -1.32 0.00 0.00 176.35 173.95 1xe5 s THR 169 N 1.90 5.28 -0.20 3.68 2.01 -0.77 -1.03 115.64 126.50 1xe5 s THR 169 Ca 0.09 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 1xe5 s THR 169 Cb -0.17 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1xe5 s THR 169 CO 0.11 0.30 0.09 -0.63 -0.69 0.00 0.00 174.62 173.80 1xe5 s ILE 170 N 1.43 4.96 0.00 1.82 1.01 -0.51 -0.60 121.20 129.30 1xe5 s ILE 170 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1xe5 s ILE 170 Cb -0.15 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1xe5 s ILE 170 CO 0.08 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1xe5 n GLY 171 N 3.79 1.94 3.60 6.18 0.00 -0.48 -2.13 105.19 118.09 1xe5 n GLY 171 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1xe5 n GLY 171 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xe5 s GLY 172 N -1.98 -0.38 -0.01 -0.02 0.00 -1.26 -1.63 107.32 102.04 1xe5 s GLY 172 Ca 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 44.72 45.21 1xe5 s GLY 172 CO 0.00 0.21 0.61 -0.42 0.00 0.00 0.00 173.10 173.50 1xe5 s ILE 173 N -3.14 4.93 -0.15 0.90 1.01 -1.26 -4.82 121.20 118.67 1xe5 s ILE 173 Ca 0.08 1.27 0.02 0.00 0.00 0.00 0.00 60.65 62.02 1xe5 s ILE 173 Cb -0.01 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1xe5 s ILE 173 CO -0.05 0.39 -0.21 -1.61 0.00 0.00 0.00 174.94 173.47 1xe5 s GLU 174 N -0.05 2.97 0.56 2.79 2.02 -1.26 -5.02 118.70 120.71 1xe5 s GLU 174 Ca 0.32 -0.83 0.27 0.00 0.02 0.00 0.00 54.97 54.75 1xe5 s GLU 174 Cb -0.18 -2.44 1.48 0.00 0.10 0.00 0.00 34.13 33.09 1xe5 s GLU 174 CO 0.17 -0.07 1.98 1.49 0.02 0.00 0.00 175.26 178.85 1xe5 h GLU 175 N 7.48 0.00 0.00 1.61 4.57 -1.97 -2.96 114.58 123.31 1xe5 h GLU 175 Ca -0.36 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 1xe5 h GLU 175 Cb 1.18 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1xe5 h GLU 175 CO 0.57 0.00 -0.04 0.07 -1.18 0.00 0.00 179.01 178.43 1xe5 h ARG 176 N 0.00 0.00 0.00 1.92 0.11 -2.04 -2.99 114.38 111.38 1xe5 h ARG 176 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 1xe5 h ARG 176 Cb 1.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1xe5 h ARG 176 CO -0.00 0.04 -0.20 0.74 0.10 0.00 0.00 179.97 180.65 1xe5 h PHE 177 N 0.00 0.00 -4.14 4.08 0.04 -1.94 -3.45 116.94 111.53 1xe5 h PHE 177 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 1xe5 h PHE 177 Cb 0.28 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.28 1xe5 h PHE 177 CO 0.00 0.00 -0.67 1.52 -0.60 0.00 0.00 178.31 178.56 1xe5 s TYR 178 N -3.21 0.83 0.20 -0.55 1.13 -1.13 -0.88 117.35 113.74 1xe5 s TYR 178 Ca 0.06 -1.09 0.10 0.00 -1.41 0.00 0.00 57.07 54.73 1xe5 s TYR 178 Cb 0.08 -0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 40.39 1xe5 s TYR 178 CO 0.68 -0.36 -0.20 -1.83 -2.51 0.00 0.00 175.55 171.33 1xe5 s GLU 179 N -3.95 1.43 0.72 -3.49 -1.05 -0.47 -4.73 118.70 107.16 1xe5 s GLU 179 Ca 0.17 -1.53 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 1xe5 s GLU 179 Cb 0.07 -1.54 0.00 0.00 -0.44 0.00 0.00 34.13 32.22 1xe5 s GLU 179 CO -0.02 0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.91 1xe5 n GLY 180 N 0.03 -2.10 3.80 -3.83 0.00 -1.26 -3.75 105.19 98.07 1xe5 n GLY 180 Ca -0.11 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 1xe5 n GLY 180 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xe5 s PRO 181 N -0.36 4.21 0.27 1.61 0.04 -1.26 -4.93 135.00 134.59 1xe5 s PRO 181 Ca 0.00 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 1xe5 s PRO 181 Cb 0.00 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 1xe5 s PRO 181 CO 0.00 -0.06 0.91 -0.51 0.04 0.00 0.00 177.00 177.37 1xe5 s LEU 182 N -2.83 4.47 -0.11 -3.56 1.43 -1.26 -4.54 118.68 112.28 1xe5 s LEU 182 Ca 0.59 1.82 0.01 0.00 -1.03 0.00 0.00 54.13 55.52 1xe5 s LEU 182 Cb -0.16 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.31 1xe5 s LEU 182 CO 0.21 0.05 -0.13 -0.89 0.23 0.00 0.00 176.35 175.81 1xe5 s THR 183 N -1.42 1.35 -0.03 5.49 2.01 -0.49 -4.90 115.64 117.65 1xe5 s THR 183 Ca 0.45 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 1xe5 s THR 183 Cb -0.21 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1xe5 s THR 183 CO 0.26 0.42 0.30 -0.31 -0.69 0.00 0.00 174.62 174.60 1xe5 s TYR 184 N 1.19 3.66 -0.09 4.92 1.51 -1.26 -0.75 117.35 126.53 1xe5 s TYR 184 Ca -0.03 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 56.83 1xe5 s TYR 184 Cb -0.14 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.59 1xe5 s TYR 184 CO -0.04 0.67 -0.15 -1.21 -1.11 0.00 0.00 175.55 173.70 1xe5 s GLU 185 N -1.19 2.15 0.39 -0.62 0.41 -0.25 -4.90 118.70 114.68 1xe5 s GLU 185 Ca 0.22 -0.55 -0.26 0.00 -0.41 0.00 0.00 54.97 53.96 1xe5 s GLU 185 Cb -0.15 -1.77 -0.09 0.00 -1.78 0.00 0.00 34.13 30.35 1xe5 s GLU 185 CO 0.11 0.01 1.19 0.15 -0.49 0.00 0.00 175.26 176.23 1xe5 s LYS 186 N 0.76 4.11 0.23 1.61 -0.14 -1.26 -1.29 119.74 123.76 1xe5 s LYS 186 Ca -0.12 1.90 -0.30 0.00 -1.36 0.00 0.00 55.97 56.10 1xe5 s LYS 186 Cb -0.16 -2.76 -0.09 0.00 -1.68 0.00 0.00 37.83 33.15 1xe5 s LYS 186 CO 0.02 -0.29 1.27 -0.51 -0.76 0.00 0.00 175.35 175.09 1xe5 s LEU 187 N -2.35 4.44 0.40 3.17 1.43 -0.62 -4.33 118.68 120.82 1xe5 s LEU 187 Ca 0.55 2.41 0.23 0.00 -1.03 0.00 0.00 54.13 56.30 1xe5 s LEU 187 Cb -0.32 -3.62 0.35 0.00 0.03 0.00 0.00 46.19 42.63 1xe5 s LEU 187 CO 0.41 -0.46 1.57 -0.55 0.23 0.00 0.00 176.35 177.55 1xe5 h ASN 188 N 4.85 0.00 -5.09 2.29 7.08 -1.62 -3.47 115.58 119.62 1xe5 h ASN 188 Ca -0.46 -0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 52.66 1xe5 h ASN 188 Cb 1.22 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 37.29 1xe5 h ASN 188 CO 0.74 0.00 -0.35 -1.00 -2.08 0.00 0.00 177.43 174.74 1xe5 s HIS 189 N -3.21 0.04 -1.21 4.14 3.76 -1.26 -5.07 115.29 112.47 1xe5 s HIS 189 Ca 0.07 -0.29 -0.10 0.00 -0.15 0.00 0.00 55.06 54.59 1xe5 s HIS 189 Cb 0.06 -0.00 0.20 0.00 1.11 0.00 0.00 32.58 33.95 1xe5 s HIS 189 CO 0.68 -0.48 1.59 -0.25 -0.85 0.00 0.00 174.74 175.43 1xe5 n ASP 190 N 0.48 5.36 0.00 1.40 8.00 -1.26 -4.59 116.55 125.94 1xe5 n ASP 190 Ca -0.18 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.22 1xe5 n ASP 190 Cb 0.60 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1xe5 n ASP 190 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xe5 n LEU 191 N 4.03 0.00 -4.93 0.64 7.94 -1.26 -4.47 117.00 118.96 1xe5 n LEU 191 Ca 0.35 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.99 1xe5 n LEU 191 Cb 0.38 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.40 1xe5 n LEU 191 CO 0.70 0.00 0.60 -0.31 -1.11 0.00 0.00 177.39 177.28 1xe5 s TYR 192 N 0.00 2.97 -1.28 1.96 1.51 -1.26 -2.67 117.35 118.58 1xe5 s TYR 192 Ca 0.00 0.48 -0.19 0.00 -1.01 0.00 0.00 57.07 56.35 1xe5 s TYR 192 Cb 0.00 -3.12 0.03 0.00 -0.11 0.00 0.00 41.96 38.76 1xe5 s TYR 192 CO 0.00 -1.31 1.81 0.91 -1.11 0.00 0.00 175.55 175.85 1xe5 n TRP 193 N -2.86 4.14 -5.00 2.71 7.02 -1.26 -4.84 117.44 117.35 1xe5 n TRP 193 Ca 0.07 -2.53 -0.32 0.00 -1.02 0.00 0.00 57.50 53.70 1xe5 n TRP 193 Cb 0.60 -2.62 -0.15 0.00 -2.42 0.00 0.00 31.31 26.72 1xe5 n TRP 193 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 1xe5 s GLN 194 N 4.67 3.15 0.29 -0.99 -2.07 -1.26 -1.58 119.66 121.87 1xe5 s GLN 194 Ca 0.57 -0.78 0.03 0.00 -1.82 0.00 0.00 55.36 53.36 1xe5 s GLN 194 Cb 0.04 -2.45 -0.06 0.00 -1.09 0.00 0.00 33.01 29.45 1xe5 s GLN 194 CO 0.08 0.23 0.05 0.96 -1.32 0.00 0.00 175.29 175.29 1xe5 s ILE 195 N 0.26 1.05 -0.23 3.63 -4.36 -0.53 -1.56 121.20 119.46 1xe5 s ILE 195 Ca -0.13 -2.01 -0.05 0.00 -0.26 0.00 0.00 60.65 58.20 1xe5 s ILE 195 Cb -0.16 -2.65 -0.01 0.00 1.25 0.00 0.00 42.46 40.88 1xe5 s ILE 195 CO 0.07 -0.09 -0.01 -0.89 0.24 0.00 0.00 174.94 174.26 1xe5 s THR 196 N -3.40 3.67 0.04 8.37 2.01 -1.26 -0.59 115.64 124.48 1xe5 s THR 196 Ca 0.35 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1xe5 s THR 196 Cb 0.08 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1xe5 s THR 196 CO 0.13 0.39 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.61 1xe5 s LEU 197 N 1.52 2.23 -0.07 4.42 1.43 -0.85 -4.87 118.68 122.49 1xe5 s LEU 197 Ca 0.06 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 1xe5 s LEU 197 Cb -0.15 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.78 1xe5 s LEU 197 CO -0.01 -0.14 1.14 -1.81 0.23 0.00 0.00 176.35 175.76 1xe5 s ASP 198 N -1.45 7.11 -0.21 2.29 1.01 -0.44 -0.73 116.67 124.24 1xe5 s ASP 198 Ca -0.07 1.73 -0.04 0.00 0.71 0.00 0.00 52.55 54.88 1xe5 s ASP 198 Cb -0.09 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1xe5 s ASP 198 CO 0.01 -0.54 -0.02 0.00 0.21 0.00 0.00 175.17 174.82 1xe5 s ALA 199 N 2.16 2.92 0.00 5.23 0.00 -0.72 -1.42 121.76 129.93 1xe5 s ALA 199 Ca 0.54 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1xe5 s ALA 199 Cb -0.23 -1.74 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 1xe5 s ALA 199 CO 0.21 -0.28 0.08 -3.38 0.00 0.00 0.00 175.76 172.39 1xe5 s HIS 200 N 1.23 0.08 -0.13 0.00 -3.43 -0.33 -0.71 115.29 112.00 1xe5 s HIS 200 Ca 0.03 -0.17 0.15 0.00 -0.80 0.00 0.00 55.06 54.27 1xe5 s HIS 200 Cb -0.14 -0.07 0.37 0.00 -1.43 0.00 0.00 32.58 31.30 1xe5 s HIS 200 CO -0.00 -0.22 1.18 0.28 -2.00 0.00 0.00 174.74 173.98 1xe5 n VAL 201 N 1.77 1.49 0.00 -5.38 0.31 -0.50 -1.46 118.33 114.55 1xe5 n VAL 201 Ca -0.21 -2.32 0.00 0.00 -0.01 0.00 0.00 64.34 61.80 1xe5 n VAL 201 Cb 0.56 0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1xe5 n VAL 201 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xe5 n GLY 202 N -0.73 1.46 0.00 2.92 0.00 -1.26 -4.64 105.19 102.94 1xe5 n GLY 202 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xe5 n GLY 202 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xe5 n ASN 203 N 0.00 0.00 -4.59 1.61 6.94 -1.26 -5.06 115.26 112.89 1xe5 n ASN 203 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 1xe5 n ASN 203 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1xe5 n ASN 203 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1xe5 s ILE 204 N 0.00 3.75 -0.06 1.53 1.01 -1.26 -4.98 121.20 121.19 1xe5 s ILE 204 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 60.65 61.42 1xe5 s ILE 204 Cb 0.00 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1xe5 s ILE 204 CO 0.00 -0.74 -0.15 -0.32 0.00 0.00 0.00 174.94 173.73 1xe5 s MET 205 N 5.30 1.88 -0.37 2.79 1.75 -1.26 -1.42 119.30 127.97 1xe5 s MET 205 Ca 0.65 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 54.57 1xe5 s MET 205 Cb -0.15 -1.55 0.11 0.00 2.84 0.00 0.00 34.83 36.08 1xe5 s MET 205 CO 0.31 0.12 0.15 -1.17 -0.65 0.00 0.00 175.02 173.78 1xe5 s LEU 206 N 0.40 3.04 0.52 4.11 2.96 0.11 -5.01 118.68 124.81 1xe5 s LEU 206 Ca -0.11 -2.17 -0.15 0.00 -0.22 0.00 0.00 54.13 51.48 1xe5 s LEU 206 Cb -0.14 -1.13 -0.07 0.00 0.50 0.00 0.00 46.19 45.35 1xe5 s LEU 206 CO 0.04 -0.35 0.96 -1.83 -1.32 0.00 0.00 176.35 173.85 1xe5 s GLU 207 N 0.92 3.86 -1.48 1.98 -1.05 -1.26 -1.76 118.70 119.91 1xe5 s GLU 207 Ca 0.13 0.85 -0.12 0.00 -0.15 0.00 0.00 54.97 55.68 1xe5 s GLU 207 Cb -0.21 -2.16 0.09 0.00 -0.44 0.00 0.00 34.13 31.41 1xe5 s GLU 207 CO -0.11 -0.29 0.75 1.63 0.95 0.00 0.00 175.26 178.19 1xe5 n LYS 208 N -1.75 -4.36 -2.09 -4.83 5.02 -1.24 -4.91 118.16 104.00 1xe5 n LYS 208 Ca 0.06 0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 56.48 1xe5 n LYS 208 Cb 0.54 -5.35 -0.02 0.00 -0.02 0.00 0.00 35.03 30.18 1xe5 n LYS 208 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xe5 s ALA 209 N -3.16 3.51 -0.14 7.82 0.00 0.09 -4.77 121.76 125.12 1xe5 s ALA 209 Ca 0.56 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 53.51 1xe5 s ALA 209 Cb -0.29 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 1xe5 s ALA 209 CO 0.69 -0.67 1.24 1.21 0.00 0.00 0.00 175.76 178.23 1xe5 s ASN 210 N -0.37 6.98 -0.21 0.00 2.47 -1.09 -2.00 114.94 120.72 1xe5 s ASN 210 Ca 0.50 1.72 0.01 0.00 0.42 0.00 0.00 52.86 55.50 1xe5 s ASN 210 Cb -0.40 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 36.88 1xe5 s ASN 210 CO 0.52 -0.71 -0.15 0.00 -3.72 0.00 0.00 177.10 173.05 1xe5 s ILE 212 N 1.26 5.18 -0.49 0.00 1.01 0.11 -1.45 121.20 126.81 1xe5 s ILE 212 Ca 0.01 0.79 -0.19 0.00 0.00 0.00 0.00 60.65 61.26 1xe5 s ILE 212 Cb -0.15 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1xe5 s ILE 212 CO -0.09 0.24 0.60 -0.69 0.00 0.00 0.00 174.94 175.00 1xe5 s VAL 213 N 1.30 4.91 -0.24 2.92 1.01 -0.61 -0.03 120.40 129.65 1xe5 s VAL 213 Ca 0.21 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1xe5 s VAL 213 Cb -0.15 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.03 1xe5 s VAL 213 CO 0.08 -0.75 -0.04 -0.62 0.00 0.00 0.00 175.10 173.77 1xe5 s ASP 214 N 2.57 3.86 0.54 3.32 2.15 -0.66 -4.55 116.67 123.90 1xe5 s ASP 214 Ca 0.15 -1.20 0.32 0.00 0.43 0.00 0.00 52.55 52.25 1xe5 s ASP 214 Cb -0.19 -1.17 1.25 0.00 -0.30 0.00 0.00 42.92 42.51 1xe5 s ASP 214 CO 0.12 -0.25 1.94 0.77 -0.17 0.00 0.00 175.17 177.59 1xe5 h SER 215 N 7.96 0.00 -0.70 -0.34 4.64 -1.85 -2.88 113.55 120.37 1xe5 h SER 215 Ca -0.17 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.99 1xe5 h SER 215 Cb 1.07 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.06 1xe5 h SER 215 CO 0.41 0.00 0.20 0.61 -0.87 0.00 0.00 176.83 177.19 1xe5 n GLY 216 N 0.16 3.45 3.34 -0.77 0.00 -1.26 -4.60 105.19 105.50 1xe5 n GLY 216 Ca 0.01 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1xe5 n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xe5 s THR 217 N -2.91 3.26 -1.33 2.61 2.01 -1.09 -5.01 115.64 113.18 1xe5 s THR 217 Ca 0.55 -0.55 0.29 0.00 0.31 0.00 0.00 61.69 62.28 1xe5 s THR 217 Cb 0.43 -2.44 0.34 0.00 0.01 0.00 0.00 72.50 70.84 1xe5 s THR 217 CO 0.14 0.47 1.85 -1.54 -0.69 0.00 0.00 174.62 174.85 1xe5 n SER 218 N 4.26 0.26 -4.74 3.53 3.41 -1.26 -0.69 113.62 118.38 1xe5 n SER 218 Ca -0.18 -0.15 -0.27 0.00 -0.26 0.00 0.00 58.87 58.01 1xe5 n SER 218 Cb 0.52 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 1xe5 n SER 218 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xe5 s ALA 219 N -2.72 3.71 -0.17 7.33 0.00 -1.26 -4.62 121.76 124.04 1xe5 s ALA 219 Ca 0.22 -1.69 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1xe5 s ALA 219 Cb 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1xe5 s ALA 219 CO 0.52 -0.16 0.46 0.42 0.00 0.00 0.00 175.76 177.00 1xe5 s ILE 220 N -2.70 5.17 0.07 0.00 -1.09 -1.04 -2.90 121.20 118.70 1xe5 s ILE 220 Ca 0.31 0.87 0.05 0.00 -2.23 0.00 0.00 60.65 59.66 1xe5 s ILE 220 Cb 0.04 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1xe5 s ILE 220 CO 0.17 0.26 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.19 1xe5 s THR 221 N 1.14 3.61 -0.04 2.92 2.01 -0.52 -1.20 115.64 123.56 1xe5 s THR 221 Ca 0.23 -1.05 -0.22 0.00 0.31 0.00 0.00 61.69 60.96 1xe5 s THR 221 Cb -0.15 -2.66 0.04 0.00 0.01 0.00 0.00 72.50 69.74 1xe5 s THR 221 CO 0.09 0.20 0.48 -0.69 -0.69 0.00 0.00 174.62 174.01 1xe5 s VAL 222 N -1.18 0.03 0.31 3.82 1.01 -0.51 -1.74 120.40 122.14 1xe5 s VAL 222 Ca 0.21 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1xe5 s VAL 222 Cb -0.11 -0.79 -0.12 0.00 0.00 0.00 0.00 36.38 35.36 1xe5 s VAL 222 CO 0.13 -0.14 1.50 -2.65 0.00 0.00 0.00 175.10 173.94 1xe5 n PRO 223 N 1.18 2.51 -0.24 2.72 -0.02 -1.23 -0.17 135.00 139.75 1xe5 n PRO 223 Ca -0.20 0.89 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 1xe5 n PRO 223 Cb 0.56 -2.61 0.13 0.00 -0.02 0.00 0.00 33.50 31.56 1xe5 n PRO 223 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xe5 h THR 224 N 3.09 0.37 -0.91 3.45 2.02 -1.88 -0.09 112.91 118.96 1xe5 h THR 224 Ca -0.47 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1xe5 h THR 224 Cb 1.24 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1xe5 h THR 224 CO 0.73 0.02 0.54 -0.78 0.37 0.00 0.00 175.52 176.39 1xe5 h ASP 225 N 0.09 1.09 -0.32 4.18 3.58 -1.98 -1.34 116.42 121.72 1xe5 h ASP 225 Ca 0.38 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 1xe5 h ASP 225 Cb 0.64 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1xe5 h ASP 225 CO -0.64 0.84 0.09 0.15 -2.88 0.00 0.00 179.24 176.79 1xe5 h PHE 226 N 1.25 0.54 -0.57 0.28 3.04 -1.65 -2.34 116.94 117.48 1xe5 h PHE 226 Ca 0.33 -0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.26 1xe5 h PHE 226 Cb -0.05 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.26 1xe5 h PHE 226 CO 0.01 0.55 0.30 1.25 -2.02 0.00 0.00 178.31 178.40 1xe5 h LEU 227 N 0.37 0.44 -0.91 0.59 5.85 -0.77 -2.28 115.31 118.59 1xe5 h LEU 227 Ca 0.10 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1xe5 h LEU 227 Cb 0.28 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1xe5 h LEU 227 CO -0.00 0.30 0.59 0.78 -0.34 0.00 0.00 178.44 179.77 1xe5 h ASN 228 N 0.58 0.99 -0.21 1.25 2.35 -0.98 -1.45 115.58 118.11 1xe5 h ASN 228 Ca 0.25 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1xe5 h ASN 228 Cb 0.15 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1xe5 h ASN 228 CO -0.17 0.68 0.00 0.11 -1.65 0.00 0.00 177.43 176.41 1xe5 h LYS 229 N 1.16 0.38 -0.75 0.81 1.57 -1.15 -2.46 116.57 116.12 1xe5 h LYS 229 Ca 0.36 -0.12 0.11 0.00 -1.87 0.00 0.00 60.65 59.14 1xe5 h LYS 229 Cb -0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.19 1xe5 h LYS 229 CO -0.12 0.57 0.36 0.52 -0.57 0.00 0.00 179.45 180.21 1xe5 h MET 230 N 0.14 0.56 -0.08 3.15 2.86 -1.14 -2.11 114.93 118.32 1xe5 h MET 230 Ca 0.06 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1xe5 h MET 230 Cb 0.40 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1xe5 h MET 230 CO 0.01 0.37 -0.15 -0.07 1.06 0.00 0.00 176.91 178.14 1xe5 h LEU 231 N 0.58 0.11 -1.00 1.22 3.38 -1.10 -2.94 115.31 115.56 1xe5 h LEU 231 Ca 0.38 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.50 1xe5 h LEU 231 Cb 0.47 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 1xe5 h LEU 231 CO -0.31 0.27 0.62 1.56 0.09 0.00 0.00 178.44 180.67 1xe5 h GLN 232 N 0.11 0.81 -0.80 1.13 4.20 -0.89 -1.22 115.11 118.44 1xe5 h GLN 232 Ca 0.02 -0.05 -0.48 0.00 0.06 0.00 0.00 58.65 58.20 1xe5 h GLN 232 Cb 0.34 -0.18 -0.27 0.00 0.30 0.00 0.00 27.48 27.67 1xe5 h GLN 232 CO 0.02 0.53 0.36 0.27 -0.67 0.00 0.00 178.83 179.35 1xe5 n ASN 233 N -4.73 4.70 -4.39 1.46 6.94 -1.11 -4.92 115.26 113.21 1xe5 n ASN 233 Ca 0.22 -3.73 -0.19 0.00 -0.02 0.00 0.00 54.58 50.86 1xe5 n ASN 233 Cb 0.51 -0.77 -0.10 0.00 -2.36 0.00 0.00 39.78 37.05 1xe5 n ASN 233 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1xe5 s LEU 234 N -3.48 2.32 -0.41 -4.53 1.43 -0.46 -5.00 118.68 108.54 1xe5 s LEU 234 Ca 0.55 -1.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1xe5 s LEU 234 Cb 0.46 -0.44 0.25 0.00 0.03 0.00 0.00 46.19 46.49 1xe5 s LEU 234 CO 0.04 -0.45 0.55 -0.67 0.23 0.00 0.00 176.35 176.05 1xe5 n ASP 235 N -0.53 0.55 -4.80 2.29 -0.08 -1.26 -4.96 116.55 107.76 1xe5 n ASP 235 Ca -0.05 -2.78 -0.26 0.00 -1.51 0.00 0.00 54.79 50.19 1xe5 n ASP 235 Cb 0.64 -0.64 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1xe5 n ASP 235 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1xe5 s VAL 236 N -1.36 1.96 -0.32 5.18 -7.23 -1.26 -5.08 120.40 112.29 1xe5 s VAL 236 Ca 0.36 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 1xe5 s VAL 236 Cb 0.17 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1xe5 s VAL 236 CO -0.10 0.00 0.20 -0.63 -0.31 0.00 0.00 175.10 174.26 1xe5 s ILE 237 N -2.68 5.06 -0.06 -0.62 1.01 -0.72 -4.91 121.20 118.28 1xe5 s ILE 237 Ca 0.34 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 1xe5 s ILE 237 Cb 0.01 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1xe5 s ILE 237 CO 0.20 0.07 1.31 -0.75 0.00 0.00 0.00 174.94 175.76 1xe5 s LYS 238 N 1.69 4.29 -0.01 2.79 2.36 -1.26 -0.78 119.74 128.82 1xe5 s LYS 238 Ca 0.06 1.80 -0.30 0.00 -2.55 0.00 0.00 55.97 54.98 1xe5 s LYS 238 Cb -0.17 -3.64 -0.05 0.00 -1.05 0.00 0.00 37.83 32.92 1xe5 s LYS 238 CO 0.09 -0.57 1.38 0.08 1.55 0.00 0.00 175.35 177.88 1xe5 s VAL 239 N 2.68 3.78 0.29 4.02 1.01 -0.46 -4.95 120.40 126.76 1xe5 s VAL 239 Ca 0.59 1.15 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 1xe5 s VAL 239 Cb -0.27 -3.74 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1xe5 s VAL 239 CO 0.22 -0.01 1.29 -2.65 0.00 0.00 0.00 175.10 173.96 1xe5 n PRO 240 N 5.42 1.95 0.00 2.72 -0.02 -1.26 -2.42 135.00 141.39 1xe5 n PRO 240 Ca 0.13 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1xe5 n PRO 240 Cb 0.44 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1xe5 n PRO 240 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xe5 n PHE 241 N 0.98 0.00 -4.16 6.00 3.01 -1.26 -4.96 117.46 117.07 1xe5 n PHE 241 Ca 0.08 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.27 1xe5 n PHE 241 Cb 0.33 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.73 1xe5 n PHE 241 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1xe5 s LEU 242 N 0.00 3.48 -0.24 4.37 1.43 -1.01 -5.02 118.68 121.69 1xe5 s LEU 242 Ca 0.00 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1xe5 s LEU 242 Cb 0.00 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 44.16 1xe5 s LEU 242 CO 0.00 0.10 2.43 -0.81 0.23 0.00 0.00 176.35 178.29 1xe5 n PRO 243 N -0.09 1.80 -4.41 1.29 -0.04 -1.26 -4.40 135.00 127.90 1xe5 n PRO 243 Ca -0.09 -1.34 -0.26 0.00 -0.04 0.00 0.00 63.50 61.77 1xe5 n PRO 243 Cb 0.55 -1.67 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 1xe5 n PRO 243 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xe5 s PHE 244 N -1.00 2.24 0.05 0.54 0.08 -1.26 -4.81 117.98 113.80 1xe5 s PHE 244 Ca 0.36 -0.37 0.04 0.00 0.12 0.00 0.00 56.93 57.08 1xe5 s PHE 244 Cb 0.24 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 1xe5 s PHE 244 CO -0.05 0.48 -0.11 0.71 -0.10 0.00 0.00 175.22 176.14 1xe5 s TYR 245 N -1.71 0.97 -0.13 0.36 2.02 -1.26 -1.36 117.35 116.24 1xe5 s TYR 245 Ca 0.20 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1xe5 s TYR 245 Cb -0.08 -0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 1xe5 s TYR 245 CO 0.09 -0.00 -0.13 0.08 -1.57 0.00 0.00 175.55 174.02 1xe5 s VAL 246 N -1.09 3.01 0.27 0.71 1.01 0.04 -0.75 120.40 123.61 1xe5 s VAL 246 Ca -0.03 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1xe5 s VAL 246 Cb -0.09 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 1xe5 s VAL 246 CO 0.01 0.53 -0.04 0.42 0.00 0.00 0.00 175.10 176.01 1xe5 s THR 247 N 0.35 1.53 0.37 3.92 -4.23 -0.70 -1.75 115.64 115.13 1xe5 s THR 247 Ca -0.11 -2.10 -0.26 0.00 -1.18 0.00 0.00 61.69 58.03 1xe5 s THR 247 Cb -0.16 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 1xe5 s THR 247 CO 0.06 -0.29 1.17 -0.76 -0.54 0.00 0.00 174.62 174.25 1xe5 s LEU 248 N -3.42 4.29 0.40 4.79 2.01 -1.26 -0.99 118.68 124.49 1xe5 s LEU 248 Ca 0.29 2.36 0.19 0.00 0.01 0.00 0.00 54.13 56.98 1xe5 s LEU 248 Cb 0.04 -3.91 0.81 0.00 0.01 0.00 0.00 46.19 43.15 1xe5 s LEU 248 CO 0.11 -0.54 1.80 0.00 1.01 0.00 0.00 176.35 178.74 1xe5 n ASN 250 N -3.64 2.26 -4.42 0.00 0.23 -1.26 -4.91 115.26 103.53 1xe5 n ASN 250 Ca -0.01 -1.93 -0.52 0.00 -0.53 0.00 0.00 54.58 51.59 1xe5 n ASN 250 Cb 0.45 -0.25 -0.08 0.00 -2.08 0.00 0.00 39.78 37.82 1xe5 n ASN 250 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1xe5 n ASN 251 N 0.73 1.90 0.25 0.53 4.05 -1.08 -4.81 115.26 116.82 1xe5 n ASN 251 Ca 0.15 0.43 0.12 0.00 0.45 0.00 0.00 54.58 55.73 1xe5 n ASN 251 Cb 0.38 -1.21 0.62 0.00 1.23 0.00 0.00 39.78 40.79 1xe5 n ASN 251 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1xe5 h SER 252 N 11.99 0.00 -0.08 1.20 4.64 -1.92 -2.87 113.55 126.51 1xe5 h SER 252 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1xe5 h SER 252 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1xe5 h SER 252 CO 1.04 0.17 0.00 1.17 -0.87 0.00 0.00 176.83 178.33 1xe5 n LYS 253 N -3.51 1.31 -2.31 4.77 4.81 -1.26 -4.90 118.16 117.08 1xe5 n LYS 253 Ca -0.01 -0.47 -0.39 0.00 -0.87 0.00 0.00 58.31 56.57 1xe5 n LYS 253 Cb 0.32 -1.31 -0.03 0.00 0.02 0.00 0.00 35.03 34.04 1xe5 n LYS 253 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xe5 s LEU 254 N -1.51 4.32 0.27 3.14 1.43 -1.09 -4.93 118.68 120.32 1xe5 s LEU 254 Ca 0.27 2.39 -0.29 0.00 -1.03 0.00 0.00 54.13 55.47 1xe5 s LEU 254 Cb 0.14 -3.86 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 1xe5 s LEU 254 CO 0.21 -0.52 1.06 -2.16 0.23 0.00 0.00 176.35 175.17 1xe5 s PRO 255 N -2.01 4.68 -0.30 1.29 0.04 -1.26 -4.86 135.00 132.59 1xe5 s PRO 255 Ca 0.53 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 1xe5 s PRO 255 Cb -0.32 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1xe5 s PRO 255 CO 0.42 0.28 0.34 0.99 0.04 0.00 0.00 177.00 179.06 1xe5 s THR 256 N -1.18 5.20 0.32 1.26 2.01 -1.26 -4.20 115.64 117.79 1xe5 s THR 256 Ca 0.44 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 1xe5 s THR 256 Cb -0.30 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1xe5 s THR 256 CO 0.38 0.09 1.33 -0.36 -0.69 0.00 0.00 174.62 175.37 1xe5 s PHE 257 N 2.00 3.02 -0.05 4.92 0.40 -0.73 -4.63 117.98 122.91 1xe5 s PHE 257 Ca 0.12 1.35 0.04 0.00 -0.60 0.00 0.00 56.93 57.84 1xe5 s PHE 257 Cb -0.16 -3.72 0.00 0.00 0.51 0.00 0.00 43.02 39.65 1xe5 s PHE 257 CO 0.11 -2.02 -0.16 -1.21 0.70 0.00 0.00 175.22 172.64 1xe5 s GLU 258 N -1.61 1.71 -0.19 0.44 2.02 -0.54 -1.35 118.70 119.19 1xe5 s GLU 258 Ca 0.50 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.92 1xe5 s GLU 258 Cb -0.40 -1.47 0.06 0.00 0.10 0.00 0.00 34.13 32.41 1xe5 s GLU 258 CO 0.52 0.19 0.02 -0.06 0.02 0.00 0.00 175.26 175.95 1xe5 s PHE 259 N 0.17 1.13 0.16 1.61 0.40 0.62 -1.18 117.98 120.90 1xe5 s PHE 259 Ca -0.06 -0.90 0.10 0.00 -0.60 0.00 0.00 56.93 55.47 1xe5 s PHE 259 Cb -0.12 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 1xe5 s PHE 259 CO 0.02 -0.61 -0.18 0.95 0.70 0.00 0.00 175.22 176.11 1xe5 s THR 260 N 1.82 2.78 0.08 0.64 -4.23 -0.51 -0.90 115.64 115.33 1xe5 s THR 260 Ca -0.01 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 1xe5 s THR 260 Cb -0.17 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 1xe5 s THR 260 CO -0.08 -0.03 0.06 -1.54 -0.54 0.00 0.00 174.62 172.50 1xe5 n SER 261 N 0.40 -0.05 -0.14 3.99 3.41 -0.40 -1.33 113.62 119.50 1xe5 n SER 261 Ca -0.13 -1.52 -0.04 0.00 -0.26 0.00 0.00 58.87 56.92 1xe5 n SER 261 Cb 0.55 0.39 0.17 0.00 -0.26 0.00 0.00 64.21 65.05 1xe5 n SER 261 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xe5 h GLU 262 N 0.00 0.86 0.06 4.33 5.08 -2.00 -3.31 114.58 119.60 1xe5 h GLU 262 Ca -0.06 -0.19 -0.24 0.00 -1.00 0.00 0.00 59.36 57.87 1xe5 h GLU 262 Cb 0.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xe5 h GLU 262 CO 0.09 0.79 -1.13 -0.91 -1.00 0.00 0.00 179.01 176.85 1xe5 h ASN 263 N 0.82 0.21 -5.36 1.42 4.21 -1.96 -3.49 115.58 111.44 1xe5 h ASN 263 Ca 0.17 -0.23 0.15 0.00 1.21 0.00 0.00 56.30 57.61 1xe5 h ASN 263 Cb 0.34 -0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.42 1xe5 h ASN 263 CO 0.00 1.18 0.54 -0.83 -1.29 0.00 0.00 177.43 177.03 1xe5 s GLY 264 N -4.69 0.05 -0.09 2.83 0.00 -1.25 -4.98 107.32 99.19 1xe5 s GLY 264 Ca -0.02 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.48 1xe5 s GLY 264 CO 0.85 1.56 -0.15 1.25 0.00 0.00 0.00 173.10 176.61 1xe5 s LYS 265 N -2.46 2.10 -0.08 2.90 2.20 -1.26 -1.28 119.74 121.86 1xe5 s LYS 265 Ca 0.19 -0.54 0.04 0.00 -0.36 0.00 0.00 55.97 55.30 1xe5 s LYS 265 Cb -0.02 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1xe5 s LYS 265 CO 0.05 0.01 -0.21 0.71 -0.36 0.00 0.00 175.35 175.55 1xe5 s TYR 266 N 0.77 2.25 0.27 4.03 2.02 -0.07 -4.99 117.35 121.63 1xe5 s TYR 266 Ca -0.12 -0.87 0.12 0.00 -0.37 0.00 0.00 57.07 55.83 1xe5 s TYR 266 Cb -0.16 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 39.83 1xe5 s TYR 266 CO 0.02 -0.35 -0.17 0.95 -1.57 0.00 0.00 175.55 174.43 1xe5 s THR 267 N 0.34 2.62 -0.17 -0.71 -4.23 -1.26 -0.27 115.64 111.96 1xe5 s THR 267 Ca -0.15 -2.31 -0.05 0.00 -1.18 0.00 0.00 61.69 58.00 1xe5 s THR 267 Cb -0.17 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.37 1xe5 s THR 267 CO 0.07 -0.37 0.11 -0.22 -0.54 0.00 0.00 174.62 173.66 1xe5 s LEU 268 N -3.47 0.26 0.48 4.79 2.96 -0.46 -4.98 118.68 118.27 1xe5 s LEU 268 Ca 0.30 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1xe5 s LEU 268 Cb -0.05 -0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.47 1xe5 s LEU 268 CO 0.15 -0.34 0.77 -1.61 -1.32 0.00 0.00 176.35 174.01 1xe5 s GLU 269 N 2.17 3.40 0.45 1.98 8.01 -1.26 -1.77 118.70 131.68 1xe5 s GLU 269 Ca 0.03 0.07 0.25 0.00 0.01 0.00 0.00 54.97 55.32 1xe5 s GLU 269 Cb -0.16 -2.40 1.27 0.00 -4.31 0.00 0.00 34.13 28.53 1xe5 s GLU 269 CO -0.09 -0.26 1.77 -1.35 0.01 0.00 0.00 175.26 175.34 1xe5 h PRO 270 N 0.22 0.24 0.00 0.39 0.11 -1.89 -1.35 132.00 129.71 1xe5 h PRO 270 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1xe5 h PRO 270 Cb 1.22 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xe5 h PRO 270 CO 0.61 0.16 -0.03 1.05 -0.21 0.00 0.00 178.00 179.58 1xe5 h GLU 271 N 0.25 0.00 0.11 1.05 4.11 -1.93 -2.00 114.58 116.17 1xe5 h GLU 271 Ca 0.60 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.66 1xe5 h GLU 271 Cb 1.81 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 1xe5 h GLU 271 CO -0.21 0.03 -2.05 0.66 0.07 0.00 0.00 179.01 177.50 1xe5 n TYR 272 N -3.35 1.10 0.02 2.06 4.01 -0.52 -4.64 117.16 115.84 1xe5 n TYR 272 Ca -0.02 0.24 0.03 0.00 -0.16 0.00 0.00 57.90 57.99 1xe5 n TYR 272 Cb 0.15 -1.14 -0.10 0.00 -0.31 0.00 0.00 39.34 37.94 1xe5 n TYR 272 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1xe5 n TYR 273 N -3.45 0.63 -1.83 -0.72 0.18 -1.11 -4.65 117.16 106.21 1xe5 n TYR 273 Ca -0.33 0.20 -0.38 0.00 1.88 0.00 0.00 57.90 59.27 1xe5 n TYR 273 Cb 1.04 -0.92 0.04 0.00 -0.38 0.00 0.00 39.34 39.12 1xe5 n TYR 273 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1xe5 s LEU 274 N -5.37 3.84 -0.30 -3.48 1.43 -0.77 -4.64 118.68 109.39 1xe5 s LEU 274 Ca -0.05 2.70 -0.08 0.00 -1.03 0.00 0.00 54.13 55.67 1xe5 s LEU 274 Cb 0.10 -4.31 -0.00 0.00 0.03 0.00 0.00 46.19 42.01 1xe5 s LEU 274 CO 0.83 -1.55 0.11 -1.58 0.23 0.00 0.00 176.35 174.39 1xe5 s GLN 275 N -2.94 3.23 0.20 1.70 0.74 -0.46 -4.96 119.66 117.17 1xe5 s GLN 275 Ca 0.72 -0.77 -0.30 0.00 0.05 0.00 0.00 55.36 55.06 1xe5 s GLN 275 Cb -0.39 -3.44 -0.08 0.00 1.10 0.00 0.00 33.01 30.20 1xe5 s GLN 275 CO 0.45 -0.41 1.23 -1.01 -0.55 0.00 0.00 175.29 175.00 1xe5 s HIS 276 N 1.55 3.36 -0.51 1.67 3.76 -1.26 0.43 115.29 124.29 1xe5 s HIS 276 Ca 0.04 1.38 0.07 0.00 -0.15 0.00 0.00 55.06 56.40 1xe5 s HIS 276 Cb -0.17 -3.49 0.34 0.00 1.11 0.00 0.00 32.58 30.37 1xe5 s HIS 276 CO 0.04 -1.41 0.87 0.44 -0.85 0.00 0.00 174.74 173.83 1xe5 n ILE 277 N 2.38 2.00 -0.14 0.60 -5.35 -0.88 -4.86 119.36 113.11 1xe5 n ILE 277 Ca 0.04 -5.25 0.07 0.00 -0.27 0.00 0.00 62.75 57.34 1xe5 n ILE 277 Cb 0.44 -1.06 0.38 0.00 -1.74 0.00 0.00 39.64 37.66 1xe5 n ILE 277 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1xe5 h GLU 278 N 3.02 0.67 0.00 6.28 4.57 -1.73 -1.66 114.58 125.72 1xe5 h GLU 278 Ca 0.12 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1xe5 h GLU 278 Cb 0.66 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1xe5 h GLU 278 CO 0.72 0.44 0.00 -0.40 -1.18 0.00 0.00 179.01 178.59 1xe5 n ASP 279 N -4.47 0.00 -0.07 1.04 3.85 -1.26 -2.41 116.55 113.22 1xe5 n ASP 279 Ca 0.09 0.04 -0.14 0.00 -0.71 0.00 0.00 54.79 54.07 1xe5 n ASP 279 Cb 0.21 -0.29 -0.14 0.00 -1.35 0.00 0.00 41.12 39.55 1xe5 n ASP 279 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1xe5 n VAL 280 N -1.29 1.53 -3.63 2.12 0.31 -0.65 -5.06 118.33 111.66 1xe5 n VAL 280 Ca 0.09 -0.73 -0.05 0.00 -0.01 0.00 0.00 64.34 63.64 1xe5 n VAL 280 Cb 0.15 -1.07 -0.05 0.00 -0.91 0.00 0.00 33.84 31.96 1xe5 n VAL 280 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1xe5 s GLY 281 N -5.72 0.02 0.21 2.92 0.00 -1.01 -5.10 107.32 98.64 1xe5 s GLY 281 Ca -0.18 2.70 -0.30 0.00 0.00 0.00 0.00 44.72 46.94 1xe5 s GLY 281 CO 0.75 1.24 1.44 2.56 0.00 0.00 0.00 173.10 179.09 1xe5 s PRO 282 N -0.83 4.28 0.00 2.90 0.05 -1.26 -2.47 135.00 137.67 1xe5 s PRO 282 Ca 0.05 2.25 0.00 0.00 0.05 0.00 0.00 61.00 63.35 1xe5 s PRO 282 Cb -0.02 -3.15 0.00 0.00 0.05 0.00 0.00 34.50 31.39 1xe5 s PRO 282 CO -0.06 -0.43 0.00 0.41 0.05 0.00 0.00 177.00 176.97 1xe5 n GLY 283 N 2.66 0.33 3.88 0.56 0.00 -1.26 -5.00 105.19 106.36 1xe5 n GLY 283 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1xe5 n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xe5 s LEU 284 N 0.00 3.88 0.02 0.99 1.02 -1.03 -0.60 118.68 122.96 1xe5 s LEU 284 Ca 0.00 1.01 -0.16 0.00 0.02 0.00 0.00 54.13 55.00 1xe5 s LEU 284 Cb 0.00 -3.88 0.03 0.00 0.02 0.00 0.00 46.19 42.36 1xe5 s LEU 284 CO 0.00 -0.35 0.36 0.00 0.02 0.00 0.00 176.35 176.38 1xe5 s MET 286 N -1.98 4.20 0.21 0.00 -1.94 0.17 -1.71 119.30 118.25 1xe5 s MET 286 Ca -0.09 0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 54.37 1xe5 s MET 286 Cb -0.02 -3.31 0.29 0.00 2.01 0.00 0.00 34.83 33.79 1xe5 s MET 286 CO 0.01 0.45 1.65 1.25 -0.01 0.00 0.00 175.02 178.37 1xe5 h LEU 287 N 5.45 -0.35 0.84 -0.03 6.46 -1.25 -1.22 115.31 125.21 1xe5 h LEU 287 Ca -0.47 0.16 -0.32 0.00 -0.12 0.00 0.00 57.88 57.13 1xe5 h LEU 287 Cb 1.20 0.30 -0.12 0.00 -0.73 0.00 0.00 40.66 41.31 1xe5 h LEU 287 CO 0.68 -0.14 -0.30 -3.20 -0.62 0.00 0.00 178.44 174.86 1xe5 n ASN 288 N -5.32 -4.90 -4.48 1.25 5.15 -1.26 -4.27 115.26 101.43 1xe5 n ASN 288 Ca 0.09 0.37 -0.36 0.00 -0.60 0.00 0.00 54.58 54.08 1xe5 n ASN 288 Cb 0.36 -3.80 -0.12 0.00 -0.53 0.00 0.00 39.78 35.68 1xe5 n ASN 288 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xe5 s ILE 289 N -2.60 4.34 -0.15 -1.44 1.01 -1.26 -2.49 121.20 118.60 1xe5 s ILE 289 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1xe5 s ILE 289 Cb 0.00 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.48 1xe5 s ILE 289 CO 0.00 0.38 -0.19 -0.63 0.00 0.00 0.00 174.94 174.50 1xe5 s ILE 290 N 1.27 1.89 0.08 2.92 -1.09 -0.34 -4.95 121.20 120.98 1xe5 s ILE 290 Ca 0.05 -0.85 -0.31 0.00 -2.23 0.00 0.00 60.65 57.30 1xe5 s ILE 290 Cb -0.15 -1.71 -0.08 0.00 -1.58 0.00 0.00 42.46 38.95 1xe5 s ILE 290 CO 0.03 0.51 1.49 -0.83 -1.23 0.00 0.00 174.94 174.92 1xe5 s GLY 291 N 1.15 1.76 -0.26 6.18 0.00 -1.26 -1.43 107.32 113.47 1xe5 s GLY 291 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 44.72 45.80 1xe5 s GLY 291 CO -0.08 2.58 0.49 -2.27 0.00 0.00 0.00 173.10 173.82 1xe5 s LEU 292 N 1.87 -0.93 -0.16 0.66 2.96 0.75 -4.83 118.68 119.01 1xe5 s LEU 292 Ca 0.68 0.77 -0.16 0.00 -0.22 0.00 0.00 54.13 55.20 1xe5 s LEU 292 Cb -0.37 1.64 -0.04 0.00 0.50 0.00 0.00 46.19 47.92 1xe5 s LEU 292 CO 0.30 -0.26 0.40 -1.81 -1.32 0.00 0.00 176.35 173.66 1xe5 s ASP 293 N 2.70 6.53 0.34 3.68 1.01 -1.26 -4.10 116.67 125.57 1xe5 s ASP 293 Ca 0.09 0.63 0.08 0.00 0.71 0.00 0.00 52.55 54.06 1xe5 s ASP 293 Cb -0.14 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 1xe5 s ASP 293 CO -0.17 0.01 0.22 -0.36 0.21 0.00 0.00 175.17 175.07 1xe5 s PHE 294 N 0.79 2.79 0.28 4.23 0.40 -1.26 -5.03 117.98 120.19 1xe5 s PHE 294 Ca 0.21 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1xe5 s PHE 294 Cb -0.14 -1.74 0.52 0.00 0.51 0.00 0.00 43.02 42.17 1xe5 s PHE 294 CO 0.07 0.25 1.86 -1.35 0.70 0.00 0.00 175.22 176.75 1xe5 h PRO 295 N 1.39 1.02 -5.49 0.24 0.11 -2.03 -3.38 132.00 123.86 1xe5 h PRO 295 Ca -0.44 -0.06 -0.64 0.00 0.11 0.00 0.00 66.00 64.97 1xe5 h PRO 295 Cb 1.25 -0.23 -0.12 0.00 0.11 0.00 0.00 31.00 32.02 1xe5 h PRO 295 CO 0.61 0.67 -0.52 0.08 -0.21 0.00 0.00 178.00 178.63 1xe5 s VAL 296 N -5.97 5.12 -0.22 3.15 1.01 -1.26 -5.06 120.40 117.17 1xe5 s VAL 296 Ca -0.12 0.07 -0.38 0.00 0.00 0.00 0.00 61.98 61.55 1xe5 s VAL 296 Cb 0.21 -3.27 -0.14 0.00 0.00 0.00 0.00 36.38 33.18 1xe5 s VAL 296 CO 0.81 0.53 1.80 -2.65 0.00 0.00 0.00 175.10 175.58 1xe5 n PRO 297 N 2.81 1.50 -3.94 2.72 -0.02 -1.26 -4.93 135.00 131.88 1xe5 n PRO 297 Ca -0.18 0.55 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 1xe5 n PRO 297 Cb 0.53 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.61 1xe5 n PRO 297 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xe5 s THR 298 N 3.75 0.07 -0.04 3.45 2.01 -1.26 -2.65 115.64 120.97 1xe5 s THR 298 Ca 0.97 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 62.42 1xe5 s THR 298 Cb -0.94 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1xe5 s THR 298 CO 0.61 -0.33 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.66 1xe5 s PHE 299 N -0.97 2.55 -0.33 4.92 0.40 0.10 -3.50 117.98 121.16 1xe5 s PHE 299 Ca -0.11 -0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 55.83 1xe5 s PHE 299 Cb -0.07 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.90 1xe5 s PHE 299 CO -0.01 0.06 0.12 0.42 0.70 0.00 0.00 175.22 176.52 1xe5 s ILE 300 N -0.61 4.08 -0.76 0.64 1.01 -0.71 0.06 121.20 124.91 1xe5 s ILE 300 Ca 0.09 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 1xe5 s ILE 300 Cb -0.11 -3.20 0.08 0.00 0.01 0.00 0.00 42.46 39.24 1xe5 s ILE 300 CO 0.00 -0.06 1.06 -0.76 0.00 0.00 0.00 174.94 175.18 1xe5 s LEU 301 N 1.49 4.43 0.00 2.97 1.43 0.95 -1.44 118.68 128.51 1xe5 s LEU 301 Ca 0.01 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 1xe5 s LEU 301 Cb -0.18 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1xe5 s LEU 301 CO 0.04 -1.37 0.00 0.61 0.23 0.00 0.00 176.35 175.86 1xe5 n GLY 302 N 5.48 1.28 0.32 -3.19 0.00 -1.14 -1.65 105.19 106.30 1xe5 n GLY 302 Ca 0.06 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.46 1xe5 n GLY 302 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xe5 h ASP 303 N 0.00 0.53 -0.90 1.61 5.19 -1.01 -1.54 116.42 120.30 1xe5 h ASP 303 Ca 0.00 0.12 0.15 0.00 -0.62 0.00 0.00 57.03 56.68 1xe5 h ASP 303 Cb 0.00 0.04 -0.09 0.00 0.18 0.00 0.00 39.33 39.46 1xe5 h ASP 303 CO 0.00 0.14 0.51 -0.65 -3.12 0.00 0.00 179.24 176.12 1xe5 h PRO 304 N 0.57 0.70 -0.25 3.56 0.11 -1.82 0.15 132.00 135.03 1xe5 h PRO 304 Ca 0.54 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.55 1xe5 h PRO 304 Cb 0.91 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1xe5 h PRO 304 CO -0.44 0.47 -0.07 0.35 -0.21 0.00 0.00 178.00 178.10 1xe5 h PHE 305 N 0.72 0.54 0.00 0.65 3.57 -1.61 -3.23 116.94 117.59 1xe5 h PHE 305 Ca 0.49 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1xe5 h PHE 305 Cb 0.66 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1xe5 h PHE 305 CO -0.06 0.71 0.00 -1.33 -2.23 0.00 0.00 178.31 175.41 1xe5 n MET 306 N -4.54 0.19 0.09 1.11 2.81 -0.74 -1.34 117.12 114.71 1xe5 n MET 306 Ca -0.04 0.24 -0.06 0.00 -1.81 0.00 0.00 57.70 56.03 1xe5 n MET 306 Cb 0.31 -1.76 0.01 0.00 -0.71 0.00 0.00 33.22 31.07 1xe5 n MET 306 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xe5 h ARG 307 N 0.00 0.10 0.16 0.03 3.08 -0.75 -3.30 114.38 113.69 1xe5 h ARG 307 Ca 0.00 -0.11 -0.25 0.00 0.07 0.00 0.00 59.98 59.69 1xe5 h ARG 307 Cb 0.57 0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.67 1xe5 h ARG 307 CO 0.00 0.87 -1.17 -0.22 -1.07 0.00 0.00 179.97 178.38 1xe5 h LYS 308 N 0.06 0.34 -4.94 0.04 3.64 -1.53 -3.46 116.57 110.72 1xe5 h LYS 308 Ca -0.03 -0.59 -0.67 0.00 -1.27 0.00 0.00 60.65 58.10 1xe5 h LYS 308 Cb 1.45 0.22 -0.29 0.00 -0.41 0.00 0.00 32.23 33.20 1xe5 h LYS 308 CO 0.12 1.28 -0.72 0.71 -2.27 0.00 0.00 179.45 178.57 1xe5 s TYR 309 N -2.49 3.01 0.20 1.91 2.02 -0.45 -1.45 117.35 120.12 1xe5 s TYR 309 Ca -0.14 -1.14 -0.32 0.00 -0.37 0.00 0.00 57.07 55.09 1xe5 s TYR 309 Cb 0.03 -2.11 -0.14 0.00 -0.40 0.00 0.00 41.96 39.34 1xe5 s TYR 309 CO 0.84 -0.61 1.42 0.34 -1.57 0.00 0.00 175.55 175.97 1xe5 n PHE 310 N 4.77 2.08 -4.33 2.71 7.35 0.58 -4.38 117.46 126.23 1xe5 n PHE 310 Ca -0.17 0.43 -0.22 0.00 -0.76 0.00 0.00 57.45 56.72 1xe5 n PHE 310 Cb 0.49 -2.46 -0.13 0.00 0.35 0.00 0.00 39.48 37.74 1xe5 n PHE 310 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xe5 s THR 311 N 0.20 1.49 -0.11 -2.13 -4.23 -1.12 -1.68 115.64 108.07 1xe5 s THR 311 Ca 0.72 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1xe5 s THR 311 Cb -0.69 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1xe5 s THR 311 CO 0.47 -0.04 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.63 1xe5 s VAL 312 N -1.08 1.71 -0.32 2.29 1.01 -0.36 -1.43 120.40 122.22 1xe5 s VAL 312 Ca 0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1xe5 s VAL 312 Cb -0.10 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.80 1xe5 s VAL 312 CO 0.03 0.48 0.04 -0.36 0.00 0.00 0.00 175.10 175.30 1xe5 s PHE 313 N 0.76 3.28 -0.38 5.22 0.40 0.13 -0.57 117.98 126.83 1xe5 s PHE 313 Ca -0.10 -1.75 -0.04 0.00 -0.60 0.00 0.00 56.93 54.43 1xe5 s PHE 313 Cb -0.16 -2.22 0.08 0.00 0.51 0.00 0.00 43.02 41.24 1xe5 s PHE 313 CO 0.01 -0.79 0.15 0.34 0.70 0.00 0.00 175.22 175.64 1xe5 s ASP 314 N 1.33 5.23 0.10 1.36 -1.08 -0.63 -0.82 116.67 122.17 1xe5 s ASP 314 Ca -0.03 -1.67 -0.15 0.00 -0.52 0.00 0.00 52.55 50.17 1xe5 s ASP 314 Cb -0.20 -1.83 -0.07 0.00 -1.46 0.00 0.00 42.92 39.36 1xe5 s ASP 314 CO 0.00 -0.45 1.45 1.88 0.52 0.00 0.00 175.17 178.57 1xe5 h TYR 315 N 8.11 0.81 -0.65 -5.34 -1.99 -1.32 -2.04 116.97 114.55 1xe5 h TYR 315 Ca -0.18 -0.22 0.02 0.00 2.00 0.00 0.00 58.73 60.35 1xe5 h TYR 315 Cb 1.06 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 39.57 1xe5 h TYR 315 CO 0.58 0.94 0.42 -0.44 -0.00 0.00 0.00 178.16 179.66 1xe5 h ASP 316 N 0.44 0.71 -0.52 3.88 3.32 -1.92 -2.94 116.42 119.40 1xe5 h ASP 316 Ca 0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xe5 h ASP 316 Cb 0.75 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1xe5 h ASP 316 CO 0.06 0.51 0.00 0.59 -1.72 0.00 0.00 179.24 178.68 1xe5 n ASN 317 N -4.66 3.58 -3.78 6.45 3.02 -1.25 -4.99 115.26 113.64 1xe5 n ASN 317 Ca 0.06 -1.98 -0.29 0.00 -0.03 0.00 0.00 54.58 52.34 1xe5 n ASN 317 Cb 0.04 -0.34 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1xe5 n ASN 317 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1xe5 n HIS 318 N 1.44 -1.82 -3.88 3.10 8.25 -0.81 -4.90 115.22 116.60 1xe5 n HIS 318 Ca 0.20 0.59 -0.08 0.00 -0.26 0.00 0.00 57.72 58.17 1xe5 n HIS 318 Cb 0.59 -3.64 -0.01 0.00 1.12 0.00 0.00 29.99 28.04 1xe5 n HIS 318 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1xe5 s SER 319 N -3.87 -0.07 -0.10 0.41 1.04 -0.95 -1.59 113.70 108.58 1xe5 s SER 319 Ca 0.27 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.83 1xe5 s SER 319 Cb -0.10 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1xe5 s SER 319 CO 0.87 -1.42 -0.12 -0.69 0.98 0.00 0.00 173.24 172.86 1xe5 s VAL 320 N -3.38 1.24 0.13 5.02 1.01 -0.41 -1.60 120.40 122.40 1xe5 s VAL 320 Ca 0.15 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 1xe5 s VAL 320 Cb -0.05 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1xe5 s VAL 320 CO 0.10 0.39 0.45 -0.83 0.00 0.00 0.00 175.10 175.21 1xe5 s GLY 321 N 1.09 2.35 -0.03 4.51 0.00 0.27 -1.09 107.32 114.41 1xe5 s GLY 321 Ca -0.06 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.34 1xe5 s GLY 321 CO -0.02 -0.13 -0.01 -0.42 0.00 0.00 0.00 173.10 172.53 1xe5 s ILE 322 N -1.51 0.23 0.04 0.90 1.01 0.07 -1.22 121.20 120.73 1xe5 s ILE 322 Ca 0.37 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.94 1xe5 s ILE 322 Cb -0.13 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.04 1xe5 s ILE 322 CO 0.20 0.16 0.29 0.00 0.00 0.00 0.00 174.94 175.59 1xe5 s ALA 323 N 1.00 -0.66 0.00 9.38 0.00 -0.68 -1.40 121.76 129.41 1xe5 s ALA 323 Ca -0.10 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1xe5 s ALA 323 Cb -0.14 0.32 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 1xe5 s ALA 323 CO -0.01 -0.41 1.83 -1.17 0.00 0.00 0.00 175.76 175.99 1xe5 s LEU 324 N -2.07 4.39 0.36 0.00 2.96 -1.25 -0.31 118.68 122.76 1xe5 s LEU 324 Ca -0.05 2.49 -0.28 0.00 -0.22 0.00 0.00 54.13 56.08 1xe5 s LEU 324 Cb -0.01 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 1xe5 s LEU 324 CO -0.03 -1.00 1.31 0.00 -1.32 0.00 0.00 176.35 175.31 1xe5 s ALA 325 N 4.21 3.42 0.25 5.97 0.00 -0.52 -1.37 121.76 133.71 1xe5 s ALA 325 Ca 0.82 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.74 1xe5 s ALA 325 Cb -0.39 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.14 1xe5 s ALA 325 CO 0.36 -0.72 1.52 0.15 0.00 0.00 0.00 175.76 177.07 1xe5 s LYS 326 N -1.96 4.21 0.45 0.00 -0.14 -0.06 -4.72 119.74 117.53 1xe5 s LYS 326 Ca 0.52 2.41 0.20 0.00 -1.36 0.00 0.00 55.97 57.74 1xe5 s LYS 326 Cb -0.39 -3.09 1.08 0.00 -1.68 0.00 0.00 37.83 33.75 1xe5 s LYS 326 CO 0.52 -0.53 1.95 0.87 -0.76 0.00 0.00 175.35 177.40 1xe5 h LYS 327 N 5.28 0.00 -2.77 1.68 1.57 -1.93 -3.43 116.57 116.97 1xe5 h LYS 327 Ca -0.46 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.21 1xe5 h LYS 327 Cb 1.22 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.30 1xe5 h LYS 327 CO 0.81 0.23 -0.22 0.54 -0.57 0.00 0.00 179.45 180.24 1xe5 s ASN 328 N -6.52 -0.38 0.00 0.86 4.22 -1.26 -4.83 114.94 107.03 1xe5 s ASN 328 Ca -0.02 0.62 0.19 0.00 -2.14 0.00 0.00 52.86 51.51 1xe5 s ASN 328 Cb 0.13 0.68 1.13 0.00 1.28 0.00 0.00 41.25 44.48 1xe5 s ASN 328 CO 0.65 -0.25 1.52 0.18 -2.04 0.00 0.00 177.10 177.16