#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn3 s SER 46 N 0.00 1.63 -0.65 1.61 0.15 -1.25 -2.91 113.70 112.28 1xn3 s SER 46 Ca 0.00 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.23 1xn3 s SER 46 Cb 0.00 0.37 0.33 0.00 -1.71 0.00 0.00 66.02 65.01 1xn3 s SER 46 CO 0.00 -0.35 1.05 0.49 1.20 0.00 0.00 173.24 175.62 1xn3 n PHE 47 N 5.31 3.84 -0.31 3.44 3.01 -1.26 -4.93 117.46 126.56 1xn3 n PHE 47 Ca -0.05 -3.81 0.15 0.00 1.01 0.00 0.00 57.45 54.75 1xn3 n PHE 47 Cb 0.48 -0.60 0.32 0.00 -0.01 0.00 0.00 39.48 39.68 1xn3 n PHE 47 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1xn3 h VAL 48 N 2.91 0.38 -0.12 -4.37 -1.51 -1.97 -0.08 116.25 111.49 1xn3 h VAL 48 Ca 0.19 -0.10 0.03 0.00 -1.23 0.00 0.00 66.70 65.59 1xn3 h VAL 48 Cb 0.50 0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 29.70 1xn3 h VAL 48 CO 0.88 0.06 0.20 1.05 -1.23 0.00 0.00 177.57 178.52 1xn3 h GLU 1 N 0.30 0.00 -0.01 5.19 4.11 -1.96 -1.76 114.58 120.46 1xn3 h GLU 1 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 1xn3 h GLU 1 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xn3 h GLU 1 CO -0.59 0.00 -0.68 -1.33 0.07 0.00 0.00 179.01 176.47 1xn3 n MET 2 N -3.47 0.79 -2.16 1.06 2.81 -0.05 -4.68 117.12 111.43 1xn3 n MET 2 Ca 0.00 -0.57 -0.41 0.00 -1.81 0.00 0.00 57.70 54.91 1xn3 n MET 2 Cb 0.30 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.31 1xn3 n MET 2 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1xn3 s VAL 3 N -2.65 2.94 -1.26 2.03 1.01 -0.66 -3.00 120.40 118.81 1xn3 s VAL 3 Ca 0.14 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 62.92 1xn3 s VAL 3 Cb 0.17 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1xn3 s VAL 3 CO 0.68 0.16 0.60 0.47 0.00 0.00 0.00 175.10 177.02 1xn3 n ASP 4 N 1.83 -5.42 -0.89 3.32 10.43 -1.17 -4.90 116.55 119.75 1xn3 n ASP 4 Ca 0.04 -0.28 0.11 0.00 2.57 0.00 0.00 54.79 57.23 1xn3 n ASP 4 Cb 0.42 -4.21 0.28 0.00 1.84 0.00 0.00 41.12 39.44 1xn3 n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1xn3 n ASN 5 N -1.87 2.66 -4.71 -2.24 6.94 -0.95 -4.87 115.26 110.22 1xn3 n ASN 5 Ca -0.07 -1.88 -0.27 0.00 -0.02 0.00 0.00 54.58 52.34 1xn3 n ASN 5 Cb 0.59 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 37.76 1xn3 n ASN 5 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1xn3 s LEU 6 N -1.54 3.48 0.07 -4.53 1.43 -0.49 -4.41 118.68 112.69 1xn3 s LEU 6 Ca 0.35 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1xn3 s LEU 6 Cb 0.20 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1xn3 s LEU 6 CO 0.29 0.09 0.02 -0.13 0.23 0.00 0.00 176.35 176.85 1xn3 s ARG 7 N -2.93 0.69 0.00 1.70 0.52 -0.91 0.63 118.95 118.65 1xn3 s ARG 7 Ca 0.28 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 1xn3 s ARG 7 Cb -0.10 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1xn3 s ARG 7 CO 0.20 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.77 1xn3 n GLY 8 N 0.05 0.46 3.54 -3.53 0.00 -1.26 -0.46 105.19 103.99 1xn3 n GLY 8 Ca -0.13 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.57 1xn3 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn3 s LYS 9 N -0.38 1.41 0.42 1.61 -2.85 -1.04 -4.73 119.74 114.17 1xn3 s LYS 9 Ca 0.00 -0.84 0.08 0.00 -1.00 0.00 0.00 55.97 54.21 1xn3 s LYS 9 Cb 0.00 0.53 0.88 0.00 -2.06 0.00 0.00 37.83 37.18 1xn3 s LYS 9 CO 0.00 -0.60 2.05 0.66 0.10 0.00 0.00 175.35 177.56 1xn3 h SER 10 N 2.16 0.42 0.52 0.03 4.64 -1.94 0.43 113.55 119.81 1xn3 h SER 10 Ca -0.28 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.93 1xn3 h SER 10 Cb 1.27 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1xn3 h SER 10 CO 0.36 0.32 -0.44 1.23 -0.87 0.00 0.00 176.83 177.43 1xn3 h GLY 11 N 0.53 0.00 -0.00 -0.77 0.00 -1.96 -3.33 103.07 97.53 1xn3 h GLY 11 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1xn3 h GLY 11 CO -0.03 0.00 -0.02 -1.06 0.00 0.00 0.00 176.54 175.43 1xn3 n GLN 12 N -3.90 6.10 0.00 4.80 6.02 -1.06 -4.96 117.38 124.38 1xn3 n GLN 12 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1xn3 n GLN 12 Cb 0.48 -0.57 0.00 0.00 1.02 0.00 0.00 30.24 31.17 1xn3 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xn3 n GLY 13 N 0.92 2.37 3.67 1.08 0.00 0.15 -4.92 105.19 108.46 1xn3 n GLY 13 Ca 0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1xn3 n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xn3 s TYR 14 N -2.94 3.20 0.16 1.61 1.51 -1.26 -2.49 117.35 117.14 1xn3 s TYR 14 Ca 0.00 0.15 0.05 0.00 -1.01 0.00 0.00 57.07 56.27 1xn3 s TYR 14 Cb 0.00 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1xn3 s TYR 14 CO 0.00 0.39 -0.12 1.52 -1.11 0.00 0.00 175.55 176.24 1xn3 s TYR 15 N -0.57 1.39 0.09 2.71 -0.85 0.39 -0.98 117.35 119.53 1xn3 s TYR 15 Ca 0.10 -0.68 0.08 0.00 -0.52 0.00 0.00 57.07 56.05 1xn3 s TYR 15 Cb -0.12 -0.69 -0.03 0.00 0.38 0.00 0.00 41.96 41.50 1xn3 s TYR 15 CO 0.02 0.16 -0.21 0.54 -1.52 0.00 0.00 175.55 174.54 1xn3 s VAL 16 N -3.05 1.69 0.20 -3.49 0.11 0.06 -2.15 120.40 113.77 1xn3 s VAL 16 Ca 0.17 -1.48 -0.30 0.00 -2.93 0.00 0.00 61.98 57.44 1xn3 s VAL 16 Cb 0.01 -1.53 -0.08 0.00 -1.53 0.00 0.00 36.38 33.25 1xn3 s VAL 16 CO 0.02 -0.02 0.93 -0.70 -3.33 0.00 0.00 175.10 172.00 1xn3 s GLU 17 N -1.79 4.80 0.13 1.54 2.12 -1.26 -0.26 118.70 123.98 1xn3 s GLU 17 Ca 0.06 1.45 -0.02 0.00 0.36 0.00 0.00 54.97 56.83 1xn3 s GLU 17 Cb -0.10 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1xn3 s GLU 17 CO 0.04 0.45 0.07 -1.64 -0.54 0.00 0.00 175.26 173.65 1xn3 s MET 18 N -0.90 0.95 0.02 4.30 -1.94 0.01 -4.14 119.30 117.60 1xn3 s MET 18 Ca 0.42 -1.43 0.04 0.00 -1.71 0.00 0.00 55.69 53.02 1xn3 s MET 18 Cb -0.25 0.25 -0.02 0.00 2.01 0.00 0.00 34.83 36.82 1xn3 s MET 18 CO 0.31 -0.28 -0.13 0.95 -0.01 0.00 0.00 175.02 175.86 1xn3 s THR 19 N -4.05 1.05 0.07 2.05 -4.23 -0.26 -0.71 115.64 109.57 1xn3 s THR 19 Ca 0.24 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.96 1xn3 s THR 19 Cb 0.07 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1xn3 s THR 19 CO 0.02 0.09 -0.13 0.68 -0.54 0.00 0.00 174.62 174.74 1xn3 s VAL 20 N -0.67 1.01 0.02 2.29 -7.23 -0.12 -1.78 120.40 113.93 1xn3 s VAL 20 Ca 0.02 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1xn3 s VAL 20 Cb -0.07 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.88 1xn3 s VAL 20 CO 0.01 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1xn3 n GLY 21 N 1.33 -2.24 2.70 2.32 0.00 -0.00 -0.72 105.19 108.58 1xn3 n GLY 21 Ca -0.21 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 1xn3 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn3 s SER 22 N -2.38 1.32 0.92 1.61 0.01 -1.26 -3.14 113.70 110.78 1xn3 s SER 22 Ca 0.00 0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.15 1xn3 s SER 22 Cb 0.00 -0.24 0.14 0.00 0.21 0.00 0.00 66.02 66.13 1xn3 s SER 22 CO 0.00 -0.23 1.09 -2.16 0.41 0.00 0.00 173.24 172.35 1xn3 s PRO 23 N 2.10 1.06 -0.04 12.44 0.04 -1.26 -1.02 135.00 148.32 1xn3 s PRO 23 Ca 0.05 0.97 -0.36 0.00 0.04 0.00 0.00 61.00 61.70 1xn3 s PRO 23 Cb -0.12 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 1xn3 s PRO 23 CO -0.04 -2.42 1.68 -2.30 0.04 0.00 0.00 177.00 173.96 1xn3 n PRO 24 N -4.03 1.76 -3.77 0.56 -0.02 -1.19 -4.92 135.00 123.39 1xn3 n PRO 24 Ca 0.07 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 61.82 1xn3 n PRO 24 Cb 0.54 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1xn3 n PRO 24 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xn3 s GLN 25 N 2.58 3.03 0.08 -0.52 -0.21 0.10 -4.90 119.66 119.82 1xn3 s GLN 25 Ca 0.89 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 55.08 1xn3 s GLN 25 Cb -0.82 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 29.78 1xn3 s GLN 25 CO 0.51 -0.46 1.04 0.99 -2.12 0.00 0.00 175.29 175.25 1xn3 s THR 26 N 1.48 4.40 0.00 -0.19 2.01 -1.26 -0.94 115.64 121.15 1xn3 s THR 26 Ca 0.02 1.85 -0.05 0.00 0.31 0.00 0.00 61.69 63.83 1xn3 s THR 26 Cb -0.17 -4.19 -0.00 0.00 0.01 0.00 0.00 72.50 68.15 1xn3 s THR 26 CO 0.02 0.21 0.08 -0.76 -0.69 0.00 0.00 174.62 173.49 1xn3 s LEU 27 N 0.49 1.77 -0.20 4.42 1.43 0.11 -4.95 118.68 121.75 1xn3 s LEU 27 Ca 0.52 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 1xn3 s LEU 27 Cb -0.25 0.46 -0.04 0.00 0.03 0.00 0.00 46.19 46.39 1xn3 s LEU 27 CO 0.30 -0.31 0.37 0.20 0.23 0.00 0.00 176.35 177.14 1xn3 s ASN 28 N -1.24 6.41 -0.13 2.29 0.02 -1.26 -0.81 114.94 120.23 1xn3 s ASN 28 Ca -0.13 0.49 0.03 0.00 -1.02 0.00 0.00 52.86 52.22 1xn3 s ASN 28 Cb -0.08 -2.22 0.01 0.00 0.02 0.00 0.00 41.25 38.98 1xn3 s ASN 28 CO 0.01 -0.04 -0.22 -0.63 0.02 0.00 0.00 177.10 176.23 1xn3 s ILE 29 N 1.17 2.10 0.18 0.60 -1.09 0.64 0.32 121.20 125.11 1xn3 s ILE 29 Ca 0.18 -0.98 -0.32 0.00 -2.23 0.00 0.00 60.65 57.30 1xn3 s ILE 29 Cb -0.14 -1.83 -0.11 0.00 -1.58 0.00 0.00 42.46 38.80 1xn3 s ILE 29 CO 0.07 0.55 1.65 -0.22 -1.23 0.00 0.00 174.94 175.77 1xn3 s LEU 30 N 0.67 4.37 -0.41 2.97 2.96 0.16 -0.76 118.68 128.63 1xn3 s LEU 30 Ca -0.11 2.73 -0.24 0.00 -0.22 0.00 0.00 54.13 56.30 1xn3 s LEU 30 Cb -0.16 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.95 1xn3 s LEU 30 CO 0.01 -0.90 0.82 -0.69 -1.32 0.00 0.00 176.35 174.27 1xn3 s VAL 31 N 1.29 4.64 -0.29 1.68 1.01 -0.15 0.25 120.40 128.84 1xn3 s VAL 31 Ca 0.73 0.71 0.02 0.00 0.00 0.00 0.00 61.98 63.43 1xn3 s VAL 31 Cb -0.46 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 31.70 1xn3 s VAL 31 CO 0.32 -0.62 0.02 -0.62 0.00 0.00 0.00 175.10 174.20 1xn3 s ASP 32 N 2.03 4.25 0.00 3.32 2.15 -0.41 -4.28 116.67 123.72 1xn3 s ASP 32 Ca 0.32 -1.66 0.31 0.00 0.43 0.00 0.00 52.55 51.95 1xn3 s ASP 32 Cb -0.12 -1.26 1.74 0.00 -0.30 0.00 0.00 42.92 42.98 1xn3 s ASP 32 CO 0.21 -0.34 2.16 0.35 -0.17 0.00 0.00 175.17 177.38 1xn3 n THR 33 N 4.56 0.00 0.31 1.71 -2.24 -1.26 -1.00 114.28 116.37 1xn3 n THR 33 Ca -0.04 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 1xn3 n THR 33 Cb 0.43 -0.50 0.27 0.00 -2.10 0.00 0.00 70.33 68.42 1xn3 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xn3 n GLY 34 N 1.12 1.56 3.56 3.38 0.00 -1.26 -4.25 105.19 109.31 1xn3 n GLY 34 Ca 0.20 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 1xn3 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xn3 s SER 35 N -1.20 0.35 -0.01 1.61 1.04 -1.22 -5.00 113.70 109.28 1xn3 s SER 35 Ca 0.38 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.62 1xn3 s SER 35 Cb 0.21 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.99 1xn3 s SER 35 CO 0.28 -1.27 0.75 -1.20 0.98 0.00 0.00 173.24 172.79 1xn3 n SER 36 N -0.94 0.88 -4.75 7.02 7.64 -1.26 -1.05 113.62 121.16 1xn3 n SER 36 Ca -0.01 -1.54 -0.34 0.00 1.01 0.00 0.00 58.87 57.99 1xn3 n SER 36 Cb 0.62 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.71 1xn3 n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xn3 s ASN 37 N -0.58 5.56 -0.33 6.43 -0.87 -1.26 -4.47 114.94 119.42 1xn3 s ASN 37 Ca 0.01 0.15 -0.12 0.00 -1.57 0.00 0.00 52.86 51.33 1xn3 s ASN 37 Cb 0.01 -1.59 -0.02 0.00 -0.02 0.00 0.00 41.25 39.64 1xn3 s ASN 37 CO 0.00 0.31 0.23 0.12 -2.57 0.00 0.00 177.10 175.19 1xn3 s PHE 38 N -1.09 3.22 -0.01 2.20 5.99 -1.26 -1.29 117.98 125.74 1xn3 s PHE 38 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 56.93 56.89 1xn3 s PHE 38 Cb -0.12 -2.46 0.01 0.00 0.00 0.00 0.00 43.02 40.45 1xn3 s PHE 38 CO 0.10 -0.36 0.00 0.00 -0.00 0.00 0.00 175.22 174.96 1xn3 s ALA 39 N 1.71 0.08 0.03 11.12 0.00 -0.63 -1.30 121.76 132.78 1xn3 s ALA 39 Ca 0.06 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1xn3 s ALA 39 Cb -0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1xn3 s ALA 39 CO 0.10 -0.02 -0.14 0.14 0.00 0.00 0.00 175.76 175.84 1xn3 s VAL 40 N 0.32 1.12 0.26 0.00 -7.23 -0.66 0.40 120.40 114.61 1xn3 s VAL 40 Ca -0.03 -0.97 -0.31 0.00 -1.81 0.00 0.00 61.98 58.87 1xn3 s VAL 40 Cb -0.04 -1.01 -0.12 0.00 0.56 0.00 0.00 36.38 35.76 1xn3 s VAL 40 CO -0.01 0.04 1.55 0.61 -0.31 0.00 0.00 175.10 176.98 1xn3 n GLY 41 N 1.97 1.17 0.13 2.32 0.00 0.59 -0.97 105.19 110.40 1xn3 n GLY 41 Ca -0.18 0.51 0.05 0.00 0.00 0.00 0.00 46.02 46.39 1xn3 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn3 n ALA 42 N 2.37 2.02 -3.40 4.61 0.00 -0.61 -0.49 120.51 125.02 1xn3 n ALA 42 Ca 0.11 -1.70 -0.16 0.00 0.00 0.00 0.00 53.44 51.70 1xn3 n ALA 42 Cb 0.34 -0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 1xn3 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xn3 s ALA 43 N -1.56 -1.42 0.47 0.00 0.00 -1.25 -4.73 121.76 113.26 1xn3 s ALA 43 Ca 0.15 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 1xn3 s ALA 43 Cb 0.13 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 23.28 1xn3 s ALA 43 CO 0.01 -0.39 0.84 -0.35 0.00 0.00 0.00 175.76 175.88 1xn3 n PRO 44 N 0.84 1.00 -3.70 0.00 -0.04 -1.26 -4.94 135.00 126.90 1xn3 n PRO 44 Ca -0.19 0.37 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 1xn3 n PRO 44 Cb 0.58 -1.90 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 1xn3 n PRO 44 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xn3 s HIS 45 N -1.41 -0.44 0.33 0.54 2.46 -1.26 -5.04 115.29 110.47 1xn3 s HIS 45 Ca 0.66 0.96 0.12 0.00 0.47 0.00 0.00 55.06 57.27 1xn3 s HIS 45 Cb -0.53 0.19 0.96 0.00 -0.13 0.00 0.00 32.58 33.07 1xn3 s HIS 45 CO 0.55 -0.34 1.72 -1.35 -2.47 0.00 0.00 174.74 172.84 1xn3 h PRO 46 N 4.61 0.48 -0.02 2.88 0.11 -2.02 -1.78 132.00 136.26 1xn3 h PRO 46 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xn3 h PRO 46 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1xn3 h PRO 46 CO 0.29 0.32 -0.01 1.19 -0.21 0.00 0.00 178.00 179.58 1xn3 n PHE 47 N -4.90 0.00 -4.01 0.65 0.99 -1.26 -4.89 117.46 104.04 1xn3 n PHE 47 Ca 0.28 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.39 1xn3 n PHE 47 Cb 0.83 -0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 39.21 1xn3 n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1xn3 s LEU 48 N -2.02 3.82 0.15 4.37 1.43 -0.67 -4.71 118.68 121.05 1xn3 s LEU 48 Ca 0.35 0.09 0.18 0.00 -1.03 0.00 0.00 54.13 53.72 1xn3 s LEU 48 Cb 0.21 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1xn3 s LEU 48 CO 0.33 0.18 1.03 0.45 0.23 0.00 0.00 176.35 178.57 1xn3 h HIS 49 N 6.62 0.00 -3.62 0.29 3.86 -1.90 -3.42 115.15 116.98 1xn3 h HIS 49 Ca -0.37 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.77 1xn3 h HIS 49 Cb 1.17 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.51 1xn3 h HIS 49 CO 0.56 0.40 -0.21 -0.98 0.86 0.00 0.00 177.93 178.56 1xn3 s ARG 50 N -3.05 1.04 0.22 2.45 1.70 -1.26 -5.13 118.95 114.92 1xn3 s ARG 50 Ca -0.01 -0.90 -0.17 0.00 -0.47 0.00 0.00 55.73 54.18 1xn3 s ARG 50 Cb 0.08 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.90 1xn3 s ARG 50 CO 0.79 -0.39 0.54 1.52 -1.08 0.00 0.00 175.30 176.68 1xn3 s TYR 51 N -3.86 -0.02 -0.03 5.89 -0.85 -1.26 -4.90 117.35 112.32 1xn3 s TYR 51 Ca 0.07 -0.35 -0.30 0.00 -0.52 0.00 0.00 57.07 55.97 1xn3 s TYR 51 Cb 0.03 0.39 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 1xn3 s TYR 51 CO -0.08 -0.98 1.36 -0.47 -1.52 0.00 0.00 175.55 173.85 1xn3 s TYR 52 N -3.91 2.87 -0.64 -3.49 5.04 0.36 -4.95 117.35 112.62 1xn3 s TYR 52 Ca 0.12 0.89 -0.04 0.00 -2.44 0.00 0.00 57.07 55.60 1xn3 s TYR 52 Cb -0.02 -3.61 0.17 0.00 0.35 0.00 0.00 41.96 38.85 1xn3 s TYR 52 CO 0.01 -2.20 0.47 -0.65 -1.34 0.00 0.00 175.55 171.84 1xn3 s GLN 53 N 2.58 2.68 0.27 4.97 -0.21 -1.26 -4.45 119.66 124.23 1xn3 s GLN 53 Ca 0.62 -2.50 -0.01 0.00 0.02 0.00 0.00 55.36 53.48 1xn3 s GLN 53 Cb -0.29 -3.81 0.47 0.00 1.00 0.00 0.00 33.01 30.38 1xn3 s GLN 53 CO 0.24 -1.19 1.83 0.00 -2.12 0.00 0.00 175.29 174.06 1xn3 h ARG 54 N 7.15 0.91 0.00 2.91 3.08 -1.94 -1.20 114.38 125.29 1xn3 h ARG 54 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1xn3 h ARG 54 Cb 0.96 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1xn3 h ARG 54 CO 0.72 0.60 -0.00 1.96 -1.07 0.00 0.00 179.97 182.18 1xn3 h GLN 55 N 0.94 0.00 -0.27 0.04 4.20 -2.00 -0.24 115.11 117.78 1xn3 h GLN 55 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1xn3 h GLN 55 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1xn3 h GLN 55 CO -0.25 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.19 1xn3 n LEU 56 N -3.27 2.56 -4.36 1.46 4.77 -0.46 -4.84 117.00 112.87 1xn3 n LEU 56 Ca -0.03 -1.08 -0.37 0.00 -0.03 0.00 0.00 56.01 54.50 1xn3 n LEU 56 Cb 0.08 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1xn3 n LEU 56 CO 0.22 0.54 -0.30 -0.55 -1.33 0.00 0.00 177.39 175.97 1xn3 s SER 57 N -1.54 4.96 0.43 -1.43 0.15 -0.10 -4.23 113.70 111.94 1xn3 s SER 57 Ca 0.35 -0.54 0.21 0.00 0.70 0.00 0.00 55.95 56.67 1xn3 s SER 57 Cb 0.20 -1.86 0.95 0.00 -1.71 0.00 0.00 66.02 63.60 1xn3 s SER 57 CO 0.29 -0.12 1.86 0.77 1.20 0.00 0.00 173.24 177.24 1xn3 h SER 58 N 8.21 0.00 -0.05 5.45 4.64 -1.36 -2.88 113.55 127.56 1xn3 h SER 58 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1xn3 h SER 58 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1xn3 h SER 58 CO 0.60 0.28 0.00 0.35 -0.87 0.00 0.00 176.83 177.18 1xn3 n THR 59 N -3.65 0.03 -1.77 2.95 -2.24 -1.26 -4.95 114.28 103.39 1xn3 n THR 59 Ca -0.01 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1xn3 n THR 59 Cb 0.40 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 1xn3 n THR 59 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xn3 s TYR 60 N -1.97 2.65 -0.09 4.78 5.04 -1.09 -4.57 117.35 122.11 1xn3 s TYR 60 Ca 0.34 0.95 0.01 0.00 -2.44 0.00 0.00 57.07 55.93 1xn3 s TYR 60 Cb 0.20 -4.07 0.02 0.00 0.35 0.00 0.00 41.96 38.47 1xn3 s TYR 60 CO 0.32 -3.37 -0.12 1.03 -1.34 0.00 0.00 175.55 172.07 1xn3 s ARG 61 N -1.27 1.82 -0.36 4.97 0.52 -0.20 -4.98 118.95 119.45 1xn3 s ARG 61 Ca 0.58 -0.42 -0.21 0.00 -0.52 0.00 0.00 55.73 55.16 1xn3 s ARG 61 Cb -0.48 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1xn3 s ARG 61 CO 0.56 -0.07 0.68 0.34 0.02 0.00 0.00 175.30 176.82 1xn3 s ASP 62 N 1.02 6.46 0.00 0.23 -1.08 -1.26 -0.66 116.67 121.38 1xn3 s ASP 62 Ca -0.07 0.21 0.22 0.00 -0.52 0.00 0.00 52.55 52.39 1xn3 s ASP 62 Cb -0.15 -2.35 0.98 0.00 -1.46 0.00 0.00 42.92 39.95 1xn3 s ASP 62 CO -0.01 -0.63 1.68 0.18 0.52 0.00 0.00 175.17 176.91 1xn3 n LEU 63 N 6.14 1.10 -4.09 -1.34 4.77 -0.94 -4.94 117.00 117.70 1xn3 n LEU 63 Ca -0.00 -0.44 -0.33 0.00 -0.03 0.00 0.00 56.01 55.21 1xn3 n LEU 63 Cb 0.48 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1xn3 n LEU 63 CO 0.50 0.22 -0.30 0.54 -1.33 0.00 0.00 177.39 177.02 1xn3 n ARG 64 N -0.08 -1.50 -3.71 3.23 1.74 -1.26 -4.96 116.66 110.13 1xn3 n ARG 64 Ca 0.17 0.22 -0.11 0.00 -0.77 0.00 0.00 57.85 57.35 1xn3 n ARG 64 Cb 0.25 -3.68 -0.11 0.00 -1.02 0.00 0.00 32.46 27.90 1xn3 n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xn3 s LYS 65 N -7.01 0.39 0.64 5.56 2.20 -1.26 -5.05 119.74 115.20 1xn3 s LYS 65 Ca 0.16 0.70 -0.04 0.00 -0.36 0.00 0.00 55.97 56.43 1xn3 s LYS 65 Cb -0.08 0.02 0.05 0.00 -1.51 0.00 0.00 37.83 36.32 1xn3 s LYS 65 CO 0.95 -0.13 0.92 0.20 -0.36 0.00 0.00 175.35 176.92 1xn3 s GLY 66 N 1.09 1.73 -0.13 5.54 0.00 -1.26 -0.66 107.32 113.63 1xn3 s GLY 66 Ca -0.07 -1.06 -0.16 0.00 0.00 0.00 0.00 44.72 43.42 1xn3 s GLY 66 CO -0.09 -0.71 0.43 0.54 0.00 0.00 0.00 173.10 173.27 1xn3 s VAL 67 N -3.05 0.01 -0.03 1.40 0.11 -0.52 -4.80 120.40 113.52 1xn3 s VAL 67 Ca 0.59 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.57 1xn3 s VAL 67 Cb -0.11 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1xn3 s VAL 67 CO 0.42 -0.04 -0.03 -0.31 -3.33 0.00 0.00 175.10 171.81 1xn3 s TYR 68 N -0.10 0.52 -0.41 1.54 1.51 -1.26 -1.02 117.35 118.13 1xn3 s TYR 68 Ca -0.03 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1xn3 s TYR 68 Cb -0.03 -0.47 0.12 0.00 -0.11 0.00 0.00 41.96 41.47 1xn3 s TYR 68 CO 0.02 -0.11 0.19 0.08 -1.11 0.00 0.00 175.55 174.61 1xn3 s VAL 69 N 0.64 1.56 0.39 0.71 1.01 -0.35 -4.92 120.40 119.44 1xn3 s VAL 69 Ca -0.07 -2.38 -0.25 0.00 0.00 0.00 0.00 61.98 59.28 1xn3 s VAL 69 Cb -0.11 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 1xn3 s VAL 69 CO -0.00 -0.80 1.17 -2.84 0.00 0.00 0.00 175.10 172.62 1xn3 s PRO 70 N 0.61 4.09 0.43 2.72 0.02 -1.26 -2.37 135.00 139.24 1xn3 s PRO 70 Ca 0.15 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.04 1xn3 s PRO 70 Cb -0.22 -2.70 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 1xn3 s PRO 70 CO -0.06 -0.29 0.06 0.71 -0.33 0.00 0.00 177.00 177.09 1xn3 s TYR 71 N -1.41 1.92 0.02 6.54 2.02 0.81 -4.91 117.35 122.35 1xn3 s TYR 71 Ca 0.56 -1.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 1xn3 s TYR 71 Cb -0.31 -1.40 -0.06 0.00 -0.40 0.00 0.00 41.96 39.80 1xn3 s TYR 71 CO 0.39 0.01 1.16 1.15 -1.57 0.00 0.00 175.55 176.69 1xn3 h THR 72 N 1.69 0.00 -2.42 -0.71 2.02 -1.99 -3.29 112.91 108.21 1xn3 h THR 72 Ca -0.40 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 66.08 1xn3 h THR 72 Cb 1.28 0.00 -0.35 0.00 -1.74 0.00 0.00 68.15 67.34 1xn3 h THR 72 CO 0.67 0.00 0.11 1.67 0.37 0.00 0.00 175.52 178.35 1xn3 n GLN 73 N -3.08 3.85 -0.31 6.66 7.27 -1.26 -5.01 117.38 125.51 1xn3 n GLN 73 Ca -0.05 -4.69 0.00 0.00 0.07 0.00 0.00 57.00 52.33 1xn3 n GLN 73 Cb 0.15 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.43 1xn3 n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xn3 n GLY 74 N 0.51 0.54 0.00 1.69 0.00 -1.24 -4.52 105.19 102.18 1xn3 n GLY 74 Ca 0.33 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1xn3 n GLY 74 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xn3 n LYS 75 N 0.00 -1.80 -3.69 1.61 2.85 0.28 -0.13 118.16 117.28 1xn3 n LYS 75 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1xn3 n LYS 75 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 1xn3 n LYS 75 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 177.40 179.02 1xn3 s TRP 76 N -2.88 -0.40 0.09 5.58 1.48 -1.00 -0.46 118.94 121.35 1xn3 s TRP 76 Ca 0.00 0.78 0.07 0.00 -1.06 0.00 0.00 56.10 55.90 1xn3 s TRP 76 Cb 0.00 0.19 -0.03 0.00 -1.16 0.00 0.00 33.47 32.47 1xn3 s TRP 76 CO 0.00 -0.39 -0.19 -1.21 -4.06 0.00 0.00 176.95 171.10 1xn3 s GLU 77 N -0.77 1.07 0.18 3.25 2.02 0.20 -1.21 118.70 123.44 1xn3 s GLU 77 Ca -0.08 -1.10 -0.09 0.00 0.02 0.00 0.00 54.97 53.71 1xn3 s GLU 77 Cb -0.03 -1.27 0.04 0.00 0.10 0.00 0.00 34.13 32.96 1xn3 s GLU 77 CO 0.04 0.30 0.47 0.41 0.02 0.00 0.00 175.26 176.50 1xn3 n GLY 78 N 1.19 1.28 3.26 -1.39 0.00 -0.19 -0.93 105.19 108.41 1xn3 n GLY 78 Ca -0.20 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1xn3 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xn3 s GLU 79 N -2.04 2.98 0.33 1.61 2.02 -0.09 -1.44 118.70 122.07 1xn3 s GLU 79 Ca 0.10 -0.85 -0.20 0.00 0.02 0.00 0.00 54.97 54.03 1xn3 s GLU 79 Cb -0.02 -2.32 -0.10 0.00 0.10 0.00 0.00 34.13 31.79 1xn3 s GLU 79 CO 0.05 0.24 0.84 -0.51 0.02 0.00 0.00 175.26 175.91 1xn3 s LEU 80 N 0.20 4.16 0.00 1.80 1.43 0.17 -0.73 118.68 125.70 1xn3 s LEU 80 Ca -0.14 1.56 -0.09 0.00 -1.03 0.00 0.00 54.13 54.44 1xn3 s LEU 80 Cb -0.17 -4.08 0.03 0.00 0.03 0.00 0.00 46.19 42.00 1xn3 s LEU 80 CO 0.07 -0.16 0.42 0.61 0.23 0.00 0.00 176.35 177.51 1xn3 n GLY 81 N 0.02 0.94 3.10 -3.19 0.00 -0.71 -2.21 105.19 103.14 1xn3 n GLY 81 Ca 0.03 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1xn3 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xn3 s THR 82 N -2.33 0.45 0.27 2.61 -4.23 0.16 -0.62 115.64 111.95 1xn3 s THR 82 Ca 0.09 -1.62 -0.21 0.00 -1.18 0.00 0.00 61.69 58.77 1xn3 s THR 82 Cb -0.01 -1.27 0.04 0.00 1.34 0.00 0.00 72.50 72.61 1xn3 s THR 82 CO 0.02 -0.78 0.82 -0.62 -0.54 0.00 0.00 174.62 173.52 1xn3 s ASP 83 N -2.55 -0.15 0.21 3.99 -1.08 -0.95 -1.03 116.67 115.10 1xn3 s ASP 83 Ca 0.03 -0.69 -0.27 0.00 -0.52 0.00 0.00 52.55 51.10 1xn3 s ASP 83 Cb 0.02 0.68 -0.09 0.00 -1.46 0.00 0.00 42.92 42.07 1xn3 s ASP 83 CO -0.05 -1.29 0.85 -0.76 0.52 0.00 0.00 175.17 174.44 1xn3 s LEU 84 N -3.01 4.60 0.00 -1.34 1.43 -1.26 -1.34 118.68 117.76 1xn3 s LEU 84 Ca 0.13 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1xn3 s LEU 84 Cb -0.04 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1xn3 s LEU 84 CO 0.07 0.17 -0.06 -0.69 0.23 0.00 0.00 176.35 176.07 1xn3 s VAL 85 N -1.20 0.43 0.11 -1.59 1.01 0.14 -0.82 120.40 118.48 1xn3 s VAL 85 Ca 0.39 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1xn3 s VAL 85 Cb -0.24 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1xn3 s VAL 85 CO 0.28 0.02 -0.02 -0.44 0.00 0.00 0.00 175.10 174.94 1xn3 s SER 86 N -0.40 0.88 -0.35 3.32 0.01 -0.74 -0.93 113.70 115.49 1xn3 s SER 86 Ca -0.00 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.20 1xn3 s SER 86 Cb -0.03 0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.46 1xn3 s SER 86 CO -0.00 -0.56 0.11 -0.63 0.41 0.00 0.00 173.24 172.57 1xn3 s ILE 87 N -3.77 1.50 0.30 1.44 1.01 -1.26 -1.10 121.20 119.33 1xn3 s ILE 87 Ca 0.15 -1.99 0.05 0.00 0.00 0.00 0.00 60.65 58.86 1xn3 s ILE 87 Cb 0.06 -2.10 0.33 0.00 0.01 0.00 0.00 42.46 40.76 1xn3 s ILE 87 CO -0.03 -0.69 1.63 -0.65 0.00 0.00 0.00 174.94 175.20 1xn3 h PRO 88 N 7.64 0.17 -1.75 2.79 0.11 -1.90 0.65 132.00 139.70 1xn3 h PRO 88 Ca -0.08 -0.01 -0.69 0.00 0.11 0.00 0.00 66.00 65.33 1xn3 h PRO 88 Cb 1.00 -0.04 -0.34 0.00 0.11 0.00 0.00 31.00 31.73 1xn3 h PRO 88 CO 0.50 0.11 0.27 0.72 -0.21 0.00 0.00 178.00 179.39 1xn3 n HIS 89 N -5.25 3.17 -3.20 0.65 8.25 -1.26 -4.93 115.22 112.65 1xn3 n HIS 89 Ca 0.24 -2.67 0.00 0.00 -0.26 0.00 0.00 57.72 55.03 1xn3 n HIS 89 Cb 0.77 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1xn3 n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xn3 n GLY 90 N -0.52 4.85 3.70 -1.41 0.00 0.22 -4.45 105.19 107.57 1xn3 n GLY 90 Ca 0.48 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1xn3 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xn3 n PRO 91 N 0.00 0.44 -2.13 1.61 -0.04 -1.26 -4.82 135.00 128.80 1xn3 n PRO 91 Ca 0.00 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 1xn3 n PRO 91 Cb 0.00 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1xn3 n PRO 91 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xn3 n ASN 92 N -2.88 4.46 -4.06 3.54 5.15 -1.26 -4.63 115.26 115.57 1xn3 n ASN 92 Ca 0.14 -2.93 -0.10 0.00 -0.60 0.00 0.00 54.58 51.09 1xn3 n ASN 92 Cb 0.50 -1.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.04 1xn3 n ASN 92 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xn3 s VAL 93 N 2.63 0.05 -0.04 3.44 -7.23 -1.26 -5.15 120.40 112.83 1xn3 s VAL 93 Ca 0.46 -1.65 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1xn3 s VAL 93 Cb 0.10 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.96 1xn3 s VAL 93 CO -0.03 -0.22 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.61 1xn3 s THR 94 N -4.04 0.52 0.13 5.32 2.01 -1.26 -4.41 115.64 113.91 1xn3 s THR 94 Ca 0.25 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1xn3 s THR 94 Cb 0.04 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1xn3 s THR 94 CO 0.05 0.21 -0.14 0.68 -0.69 0.00 0.00 174.62 174.73 1xn3 s VAL 95 N 0.81 1.35 -0.26 3.82 -7.23 -0.11 -4.91 120.40 113.86 1xn3 s VAL 95 Ca -0.11 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.13 1xn3 s VAL 95 Cb -0.14 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1xn3 s VAL 95 CO 0.00 -0.46 0.38 -0.60 -0.31 0.00 0.00 175.10 174.11 1xn3 s ARG 96 N -2.83 4.03 0.19 4.82 3.52 -1.26 0.24 118.95 127.67 1xn3 s ARG 96 Ca 0.10 0.06 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 1xn3 s ARG 96 Cb -0.04 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.66 1xn3 s ARG 96 CO 0.03 -0.26 -0.05 0.00 -0.81 0.00 0.00 175.30 174.22 1xn3 s ALA 97 N 2.01 1.66 0.34 6.12 0.00 -0.45 -4.93 121.76 126.50 1xn3 s ALA 97 Ca 0.15 -1.65 -0.27 0.00 0.00 0.00 0.00 51.96 50.19 1xn3 s ALA 97 Cb -0.16 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 23.17 1xn3 s ALA 97 CO 0.10 -0.18 1.13 -0.80 0.00 0.00 0.00 175.76 176.00 1xn3 s ASN 98 N -3.25 6.94 -0.03 0.00 0.01 -1.26 -2.25 114.94 115.10 1xn3 s ASN 98 Ca 0.23 2.29 -0.00 0.00 -0.71 0.00 0.00 52.86 54.67 1xn3 s ASN 98 Cb 0.04 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.11 1xn3 s ASN 98 CO 0.05 -0.38 0.03 -0.63 -1.51 0.00 0.00 177.10 174.66 1xn3 s ILE 99 N -1.31 0.01 -0.33 0.60 1.01 0.20 -4.64 121.20 116.74 1xn3 s ILE 99 Ca 0.50 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 61.21 1xn3 s ILE 99 Cb -0.31 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1xn3 s ILE 99 CO 0.39 0.13 0.38 0.00 0.00 0.00 0.00 174.94 175.84 1xn3 s ALA 100 N 1.27 3.50 -0.43 9.38 0.00 -0.42 -1.74 121.76 133.31 1xn3 s ALA 100 Ca -0.07 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 1xn3 s ALA 100 Cb -0.13 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.18 1xn3 s ALA 100 CO -0.03 -1.03 0.86 0.00 0.00 0.00 0.00 175.76 175.55 1xn3 s ALA 101 N 2.07 3.30 -0.21 0.00 0.00 0.09 -1.65 121.76 125.36 1xn3 s ALA 101 Ca 0.13 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 1xn3 s ALA 101 Cb -0.16 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 1xn3 s ALA 101 CO 0.12 -1.89 1.28 0.42 0.00 0.00 0.00 175.76 175.69 1xn3 s ILE 102 N 3.47 4.23 -0.04 0.00 1.01 -0.15 -0.91 121.20 128.82 1xn3 s ILE 102 Ca 0.34 1.46 0.18 0.00 0.00 0.00 0.00 60.65 62.63 1xn3 s ILE 102 Cb -0.11 -4.05 -0.28 0.00 0.01 0.00 0.00 42.46 38.03 1xn3 s ILE 102 CO 0.23 -0.25 0.38 0.35 0.00 0.00 0.00 174.94 175.65 1xn3 n THR 103 N 5.66 0.09 -3.73 2.92 -2.24 -0.10 -1.57 114.28 115.31 1xn3 n THR 103 Ca 0.14 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1xn3 n THR 103 Cb 0.45 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 1xn3 n THR 103 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xn3 s GLU 104 N -3.22 0.50 0.07 -0.78 0.41 -1.07 -4.92 118.70 109.69 1xn3 s GLU 104 Ca -0.07 0.54 -0.19 0.00 -0.41 0.00 0.00 54.97 54.84 1xn3 s GLU 104 Cb 0.11 0.24 0.04 0.00 -1.78 0.00 0.00 34.13 32.75 1xn3 s GLU 104 CO 0.77 -0.07 0.46 -1.54 -0.49 0.00 0.00 175.26 174.39 1xn3 s SER 105 N 0.13 -0.34 -0.10 -0.19 1.04 -1.26 0.62 113.70 113.60 1xn3 s SER 105 Ca -0.01 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 1xn3 s SER 105 Cb -0.03 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1xn3 s SER 105 CO 0.01 -0.75 -0.04 -0.62 0.98 0.00 0.00 173.24 172.82 1xn3 s ASP 106 N -2.25 1.93 -1.56 7.02 2.15 0.39 -4.79 116.67 119.57 1xn3 s ASP 106 Ca -0.03 -0.21 -0.01 0.00 0.43 0.00 0.00 52.55 52.73 1xn3 s ASP 106 Cb -0.00 -0.66 0.00 0.00 -0.30 0.00 0.00 42.92 41.96 1xn3 s ASP 106 CO -0.05 -0.15 0.14 0.29 -0.17 0.00 0.00 175.17 175.22 1xn3 n LYS 107 N 5.03 -2.48 -0.09 4.34 4.76 -1.26 -0.56 118.16 127.91 1xn3 n LYS 107 Ca -0.10 0.87 -0.08 0.00 -2.87 0.00 0.00 58.31 56.13 1xn3 n LYS 107 Cb 0.50 -5.56 -0.03 0.00 -1.84 0.00 0.00 35.03 28.10 1xn3 n LYS 107 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1xn3 n PHE 108 N -3.96 0.24 -2.48 2.13 7.35 -1.26 -4.76 117.46 114.72 1xn3 n PHE 108 Ca -0.19 0.11 -0.41 0.00 -0.76 0.00 0.00 57.45 56.20 1xn3 n PHE 108 Cb 0.65 -0.58 -0.04 0.00 0.35 0.00 0.00 39.48 39.86 1xn3 n PHE 108 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1xn3 s PHE 109 N -2.73 3.57 -0.20 -5.13 0.40 -1.26 -5.01 117.98 107.61 1xn3 s PHE 109 Ca -0.25 1.61 -0.08 0.00 -0.60 0.00 0.00 56.93 57.61 1xn3 s PHE 109 Cb 0.04 -3.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 1xn3 s PHE 109 CO 0.38 -0.66 0.08 0.42 0.70 0.00 0.00 175.22 176.14 1xn3 s ILE 110 N -0.55 4.80 0.09 0.64 1.01 -1.26 -5.00 121.20 120.93 1xn3 s ILE 110 Ca 0.48 -0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.79 1xn3 s ILE 110 Cb -0.31 -3.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 1xn3 s ILE 110 CO 0.37 0.42 1.80 -3.20 0.00 0.00 0.00 174.94 174.33 1xn3 n ASN 111 N 3.93 3.76 0.00 3.58 4.05 -1.26 -1.83 115.26 127.49 1xn3 n ASN 111 Ca -0.16 1.00 0.00 0.00 0.45 0.00 0.00 54.58 55.87 1xn3 n ASN 111 Cb 0.52 -1.49 0.00 0.00 1.23 0.00 0.00 39.78 40.04 1xn3 n ASN 111 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xn3 n GLY 112 N 4.12 0.96 0.17 8.20 0.00 -1.26 -4.91 105.19 112.47 1xn3 n GLY 112 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1xn3 n GLY 112 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xn3 h SER 113 N 0.00 0.00 -0.04 1.61 4.64 -1.71 -3.47 113.55 114.57 1xn3 h SER 113 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1xn3 h SER 113 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1xn3 h SER 113 CO 0.00 0.43 -0.02 -3.20 -0.87 0.00 0.00 176.83 173.18 1xn3 n ASN 114 N -3.99 -3.86 -4.56 4.97 5.15 -1.26 -4.97 115.26 106.74 1xn3 n ASN 114 Ca -0.02 0.02 -0.32 0.00 -0.60 0.00 0.00 54.58 53.67 1xn3 n ASN 114 Cb 0.46 -1.44 -0.11 0.00 -0.53 0.00 0.00 39.78 38.17 1xn3 n ASN 114 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1xn3 s TRP 115 N -1.79 2.80 -1.11 1.20 1.48 -1.26 -4.68 118.94 115.59 1xn3 s TRP 115 Ca 0.00 -0.10 0.10 0.00 -1.06 0.00 0.00 56.10 55.04 1xn3 s TRP 115 Cb 0.00 -1.57 0.13 0.00 -1.16 0.00 0.00 33.47 30.87 1xn3 s TRP 115 CO 0.00 0.34 0.93 0.39 -4.06 0.00 0.00 176.95 174.55 1xn3 n GLU 116 N 1.54 1.10 -3.42 3.25 4.71 0.15 -4.87 120.64 123.09 1xn3 n GLU 116 Ca -0.15 -1.35 -0.03 0.00 -0.01 0.00 0.00 57.16 55.62 1xn3 n GLU 116 Cb 0.52 -1.20 0.02 0.00 -1.01 0.00 0.00 31.44 29.77 1xn3 n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xn3 n GLY 117 N 0.51 0.79 3.00 0.62 0.00 -1.11 -0.30 105.19 108.70 1xn3 n GLY 117 Ca 0.07 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 1xn3 n GLY 117 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xn3 s ILE 118 N -2.17 0.55 -0.41 -0.61 2.07 0.16 -0.67 121.20 120.13 1xn3 s ILE 118 Ca 0.18 -0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 58.93 1xn3 s ILE 118 Cb -0.03 -0.50 0.11 0.00 0.13 0.00 0.00 42.46 42.18 1xn3 s ILE 118 CO 0.05 0.04 0.20 -0.22 -1.91 0.00 0.00 174.94 173.10 1xn3 s LEU 119 N -0.48 5.21 -0.32 8.50 2.96 0.14 -1.60 118.68 133.09 1xn3 s LEU 119 Ca 0.00 -2.07 -0.29 0.00 -0.22 0.00 0.00 54.13 51.55 1xn3 s LEU 119 Cb -0.04 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.85 1xn3 s LEU 119 CO -0.00 -0.52 1.20 -0.83 -1.32 0.00 0.00 176.35 174.87 1xn3 s GLY 120 N 1.70 1.44 0.00 7.98 0.00 -0.41 -1.29 107.32 116.74 1xn3 s GLY 120 Ca 0.09 -0.01 0.25 0.00 0.00 0.00 0.00 44.72 45.04 1xn3 s GLY 120 CO -0.05 2.45 1.39 1.04 0.00 0.00 0.00 173.10 177.94 1xn3 n LEU 121 N 7.35 2.55 0.00 0.66 4.77 -0.17 -4.27 117.00 127.89 1xn3 n LEU 121 Ca 0.13 -0.85 -0.11 0.00 -0.03 0.00 0.00 56.01 55.16 1xn3 n LEU 121 Cb 0.47 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1xn3 n LEU 121 CO 0.62 0.43 0.31 0.00 -1.33 0.00 0.00 177.39 177.42 1xn3 n ALA 122 N 0.98 -0.47 -2.00 -1.18 0.00 -0.21 -4.94 120.51 112.69 1xn3 n ALA 122 Ca 0.15 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 1xn3 n ALA 122 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1xn3 n ALA 122 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xn3 s TYR 123 N -1.91 3.55 0.54 0.00 1.51 -0.73 -4.64 117.35 115.67 1xn3 s TYR 123 Ca 0.28 1.18 0.27 0.00 -1.01 0.00 0.00 57.07 57.79 1xn3 s TYR 123 Cb -0.01 -2.60 1.43 0.00 -0.11 0.00 0.00 41.96 40.67 1xn3 s TYR 123 CO 0.19 -0.44 1.97 0.00 -1.11 0.00 0.00 175.55 176.16 1xn3 h ALA 124 N 0.30 2.53 -1.01 3.71 0.00 -1.87 -1.98 119.26 120.94 1xn3 h ALA 124 Ca -0.46 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 54.70 1xn3 h ALA 124 Cb 1.19 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1xn3 h ALA 124 CO 0.62 -0.74 0.68 1.49 0.00 0.00 0.00 179.25 181.30 1xn3 h GLU 125 N 0.00 0.27 -0.39 0.00 4.57 -1.87 -0.97 114.58 116.20 1xn3 h GLU 125 Ca 0.28 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1xn3 h GLU 125 Cb 1.15 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1xn3 h GLU 125 CO -0.00 0.18 0.00 0.44 -1.18 0.00 0.00 179.01 178.44 1xn3 n ILE 126 N -4.48 1.39 -1.84 2.32 -5.35 -0.74 -4.65 119.36 106.01 1xn3 n ILE 126 Ca 0.23 -1.22 -0.32 0.00 -0.27 0.00 0.00 62.75 61.16 1xn3 n ILE 126 Cb 0.91 0.29 0.03 0.00 -1.74 0.00 0.00 39.64 39.13 1xn3 n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xn3 s ALA 127 N -1.51 2.62 0.07 -1.28 0.00 -0.37 -4.60 121.76 116.69 1xn3 s ALA 127 Ca 0.32 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.73 1xn3 s ALA 127 Cb 0.20 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1xn3 s ALA 127 CO 0.16 -1.07 -0.13 1.03 0.00 0.00 0.00 175.76 175.76 1xn3 s ARG 128 N -4.27 2.15 0.49 0.00 1.81 -1.26 -3.14 118.95 114.73 1xn3 s ARG 128 Ca 0.64 -0.97 0.28 0.00 -1.72 0.00 0.00 55.73 53.96 1xn3 s ARG 128 Cb -0.17 -2.28 1.12 0.00 -0.45 0.00 0.00 34.95 33.17 1xn3 s ARG 128 CO 0.42 0.53 1.90 -1.35 -0.68 0.00 0.00 175.30 176.12 1xn3 h PRO 129 N 4.08 0.00 -2.95 3.54 0.11 -1.91 -3.47 132.00 131.41 1xn3 h PRO 129 Ca -0.49 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1xn3 h PRO 129 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1xn3 h PRO 129 CO 0.50 0.11 0.29 0.16 -0.21 0.00 0.00 178.00 178.85 1xn3 s ASP 130 N -5.96 -0.08 0.00 -2.05 -4.77 -1.19 -5.02 116.67 97.60 1xn3 s ASP 130 Ca 0.01 -0.94 0.05 0.00 -3.30 0.00 0.00 52.55 48.37 1xn3 s ASP 130 Cb 0.10 0.78 0.30 0.00 -1.09 0.00 0.00 42.92 43.01 1xn3 s ASP 130 CO 0.59 -1.53 0.74 -0.90 0.70 0.00 0.00 175.17 174.78 1xn3 n ASP 131 N -1.10 0.00 0.01 2.11 5.75 -1.24 -2.18 116.55 119.89 1xn3 n ASP 131 Ca -0.07 -0.76 0.12 0.00 -0.01 0.00 0.00 54.79 54.08 1xn3 n ASP 131 Cb 0.60 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.98 1xn3 n ASP 131 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xn3 n SER 132 N -0.67 0.44 -4.46 -1.12 3.41 -1.26 -4.66 113.62 105.31 1xn3 n SER 132 Ca 0.04 -0.10 -0.43 0.00 -0.26 0.00 0.00 58.87 58.12 1xn3 n SER 132 Cb 0.02 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 1xn3 n SER 132 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1xn3 s LEU 133 N -3.12 4.44 0.03 1.04 2.96 -0.92 -4.99 118.68 118.12 1xn3 s LEU 133 Ca 0.11 -0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 52.80 1xn3 s LEU 133 Cb 0.17 -2.47 -0.09 0.00 0.50 0.00 0.00 46.19 44.30 1xn3 s LEU 133 CO 0.68 -1.36 1.96 -0.70 -1.32 0.00 0.00 176.35 175.60 1xn3 s GLU 134 N 3.88 4.14 0.80 1.98 2.12 -1.26 -4.88 118.70 125.49 1xn3 s GLU 134 Ca 0.22 2.60 -0.12 0.00 0.36 0.00 0.00 54.97 58.03 1xn3 s GLU 134 Cb -0.17 -4.16 0.08 0.00 0.26 0.00 0.00 34.13 30.14 1xn3 s GLU 134 CO 0.11 -0.95 1.15 -2.14 -0.54 0.00 0.00 175.26 172.89 1xn3 s PRO 135 N 4.45 1.78 0.19 4.30 0.02 -1.26 -4.49 135.00 139.99 1xn3 s PRO 135 Ca 0.88 1.52 -0.13 0.00 0.02 0.00 0.00 61.00 63.29 1xn3 s PRO 135 Cb -0.42 -1.82 0.20 0.00 0.02 0.00 0.00 34.50 32.48 1xn3 s PRO 135 CO 0.41 -2.06 1.70 0.35 -0.33 0.00 0.00 177.00 177.08 1xn3 h PHE 136 N -1.06 0.10 -0.52 6.54 3.57 -1.80 -2.57 116.94 121.20 1xn3 h PHE 136 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1xn3 h PHE 136 Cb 1.27 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1xn3 h PHE 136 CO 0.51 -0.04 0.22 0.35 -2.23 0.00 0.00 178.31 177.12 1xn3 h PHE 137 N 0.20 0.73 -0.58 0.41 3.57 -1.92 0.02 116.94 119.37 1xn3 h PHE 137 Ca 0.25 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1xn3 h PHE 137 Cb 0.36 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1xn3 h PHE 137 CO -0.25 0.56 0.07 -0.44 -2.23 0.00 0.00 178.31 176.01 1xn3 h ASP 138 N 0.73 0.90 -0.40 0.41 3.32 -1.85 -1.25 116.42 118.29 1xn3 h ASP 138 Ca 0.18 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 1xn3 h ASP 138 Cb 0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1xn3 h ASP 138 CO -0.02 0.92 -0.13 0.28 -1.72 0.00 0.00 179.24 178.57 1xn3 h SER 139 N 0.89 0.81 -0.20 6.45 0.02 -0.90 -1.10 113.55 119.51 1xn3 h SER 139 Ca 0.18 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1xn3 h SER 139 Cb 0.43 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1xn3 h SER 139 CO 0.01 1.00 0.11 0.25 -1.14 0.00 0.00 176.83 177.06 1xn3 h LEU 140 N 0.61 0.16 -0.55 5.07 5.85 -0.64 -0.37 115.31 125.44 1xn3 h LEU 140 Ca 0.10 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1xn3 h LEU 140 Cb 0.66 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1xn3 h LEU 140 CO 0.05 0.12 -0.00 0.58 -0.34 0.00 0.00 178.44 178.85 1xn3 h VAL 141 N 0.22 1.26 -0.39 1.05 2.07 -1.15 -1.89 116.25 117.43 1xn3 h VAL 141 Ca 0.08 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1xn3 h VAL 141 Cb 0.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1xn3 h VAL 141 CO -0.05 0.40 -0.04 0.11 0.02 0.00 0.00 177.57 178.01 1xn3 h LYS 142 N 0.85 0.64 -0.01 1.57 1.57 -0.97 -3.26 116.57 116.95 1xn3 h LYS 142 Ca 0.15 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xn3 h LYS 142 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1xn3 h LYS 142 CO 0.03 0.69 -0.48 1.04 -0.57 0.00 0.00 179.45 180.15 1xn3 n GLN 143 N -4.23 0.76 -2.92 3.15 6.02 -0.17 -4.99 117.38 115.00 1xn3 n GLN 143 Ca 0.02 -0.56 -0.08 0.00 -0.01 0.00 0.00 57.00 56.37 1xn3 n GLN 143 Cb 0.29 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 1xn3 n GLN 143 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1xn3 n THR 144 N -0.64 0.00 -0.29 5.09 -2.24 -0.72 -5.04 114.28 110.44 1xn3 n THR 144 Ca 0.09 -1.02 0.10 0.00 -2.27 0.00 0.00 64.05 60.95 1xn3 n THR 144 Cb 0.39 0.52 0.32 0.00 -2.10 0.00 0.00 70.33 69.46 1xn3 n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xn3 n HIS 145 N -0.27 1.14 -1.76 4.78 8.25 -1.26 -4.77 115.22 121.32 1xn3 n HIS 145 Ca 0.03 -0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 56.57 1xn3 n HIS 145 Cb 0.26 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 1xn3 n HIS 145 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xn3 s VAL 146 N -1.45 2.71 0.63 1.59 1.01 -1.26 -4.94 120.40 118.70 1xn3 s VAL 146 Ca 0.46 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1xn3 s VAL 146 Cb 0.27 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1xn3 s VAL 146 CO 0.27 -0.00 1.21 -2.65 0.00 0.00 0.00 175.10 173.93 1xn3 n PRO 147 N 5.91 1.09 -1.55 2.72 -0.02 -1.26 -4.65 135.00 137.24 1xn3 n PRO 147 Ca 0.18 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 1xn3 n PRO 147 Cb 0.39 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1xn3 n PRO 147 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1xn3 n ASN 148 N -1.58 4.07 -3.59 2.55 5.15 -1.26 -4.28 115.26 116.32 1xn3 n ASN 148 Ca 0.15 -2.77 -0.12 0.00 -0.60 0.00 0.00 54.58 51.24 1xn3 n ASN 148 Cb 0.48 -1.53 -0.06 0.00 -0.53 0.00 0.00 39.78 38.14 1xn3 n ASN 148 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xn3 s LEU 149 N 1.75 -0.52 0.05 1.20 0.20 -1.26 -1.62 118.68 118.48 1xn3 s LEU 149 Ca 0.51 0.77 -0.10 0.00 0.69 0.00 0.00 54.13 56.01 1xn3 s LEU 149 Cb 0.14 2.12 0.00 0.00 -0.43 0.00 0.00 46.19 48.02 1xn3 s LEU 149 CO -0.04 -0.33 0.20 0.72 -0.29 0.00 0.00 176.35 176.60 1xn3 s PHE 150 N -0.51 0.06 0.06 5.38 -0.71 -0.97 -0.50 117.98 120.79 1xn3 s PHE 150 Ca -0.02 -0.32 0.03 0.00 -1.04 0.00 0.00 56.93 55.58 1xn3 s PHE 150 Cb -0.02 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.73 1xn3 s PHE 150 CO 0.01 -0.45 -0.10 -1.54 -1.34 0.00 0.00 175.22 171.80 1xn3 s SER 151 N -2.23 1.17 -0.05 1.98 1.04 -0.30 -0.07 113.70 115.24 1xn3 s SER 151 Ca -0.03 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.80 1xn3 s SER 151 Cb 0.00 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1xn3 s SER 151 CO -0.05 -0.18 -0.10 -0.76 0.98 0.00 0.00 173.24 173.13 1xn3 s LEU 152 N -1.78 1.60 -0.32 2.42 1.43 0.74 -1.06 118.68 121.72 1xn3 s LEU 152 Ca -0.05 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1xn3 s LEU 152 Cb -0.09 -0.67 0.09 0.00 0.03 0.00 0.00 46.19 45.55 1xn3 s LEU 152 CO 0.01 0.02 0.04 -1.58 0.23 0.00 0.00 176.35 175.07 1xn3 s GLN 153 N 0.60 1.40 -0.17 1.70 0.74 -0.30 -0.96 119.66 122.67 1xn3 s GLN 153 Ca -0.11 -1.58 -0.14 0.00 0.05 0.00 0.00 55.36 53.58 1xn3 s GLN 153 Cb -0.14 -2.87 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 1xn3 s GLN 153 CO 0.02 -0.88 0.30 -0.51 -0.55 0.00 0.00 175.29 173.66 1xn3 s LEU 154 N 1.12 4.22 -0.40 3.68 1.43 -1.26 -0.75 118.68 126.71 1xn3 s LEU 154 Ca 0.07 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 1xn3 s LEU 154 Cb -0.19 -2.37 0.09 0.00 0.03 0.00 0.00 46.19 43.75 1xn3 s LEU 154 CO -0.11 0.07 0.21 0.00 0.23 0.00 0.00 176.35 176.75 1xn3 s GLY 156 N 1.92 2.58 0.20 0.00 0.00 -1.26 -4.72 107.32 106.04 1xn3 s GLY 156 Ca 0.05 0.52 0.15 0.00 0.00 0.00 0.00 44.72 45.43 1xn3 s GLY 156 CO -0.02 0.87 1.25 0.00 0.00 0.00 0.00 173.10 175.21 1xn3 h ALA 157 N 2.29 0.64 0.00 3.20 0.00 -1.94 -3.43 119.26 120.02 1xn3 h ALA 157 Ca -0.48 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1xn3 h ALA 157 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xn3 h ALA 157 CO 0.62 0.75 0.00 0.41 0.00 0.00 0.00 179.25 181.03 1xn3 n GLY 158 N 1.28 0.97 3.33 0.00 0.00 -1.26 -5.00 105.19 104.51 1xn3 n GLY 158 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1xn3 n GLY 158 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xn3 s PHE 159 N -3.08 0.11 0.42 1.61 -0.71 -1.26 -4.82 117.98 110.25 1xn3 s PHE 159 Ca 0.00 -0.48 -0.25 0.00 -1.04 0.00 0.00 56.93 55.16 1xn3 s PHE 159 Cb 0.00 0.09 -0.08 0.00 -1.21 0.00 0.00 43.02 41.82 1xn3 s PHE 159 CO 0.00 -0.71 1.20 -1.25 -1.34 0.00 0.00 175.22 173.12 1xn3 s PRO 160 N -3.89 3.96 -0.08 1.99 0.04 -1.26 -4.91 135.00 130.85 1xn3 s PRO 160 Ca 0.10 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1xn3 s PRO 160 Cb 0.03 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1xn3 s PRO 160 CO -0.06 -0.41 -0.09 -0.51 0.04 0.00 0.00 177.00 175.97 1xn3 s LEU 161 N -2.60 3.03 0.88 -3.56 1.43 -1.26 -5.03 118.68 111.57 1xn3 s LEU 161 Ca 0.59 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.45 1xn3 s LEU 161 Cb -0.32 -1.66 0.15 0.00 0.03 0.00 0.00 46.19 44.38 1xn3 s LEU 161 CO 0.40 0.31 1.24 0.54 0.23 0.00 0.00 176.35 179.07 1xn3 s ASN 162 N -0.52 3.77 0.17 2.29 6.03 -1.26 -4.76 114.94 120.66 1xn3 s ASN 162 Ca 0.07 0.42 -0.16 0.00 -1.03 0.00 0.00 52.86 52.17 1xn3 s ASN 162 Cb -0.12 -0.68 0.11 0.00 -3.03 0.00 0.00 41.25 37.53 1xn3 s ASN 162 CO 0.02 -2.33 1.71 -0.61 -2.03 0.00 0.00 177.10 173.86 1xn3 h GLN 163 N -1.31 0.14 -0.18 3.55 5.75 -1.99 -0.78 115.11 120.28 1xn3 h GLN 163 Ca -0.45 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.07 1xn3 h GLN 163 Cb 1.27 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 1xn3 h GLN 163 CO 0.49 0.09 0.05 1.03 -2.65 0.00 0.00 178.83 177.85 1xn3 h SER 164 N 0.15 0.05 -0.79 -0.69 0.87 -2.00 -2.65 113.55 108.49 1xn3 h SER 164 Ca 0.19 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1xn3 h SER 164 Cb 0.26 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 1xn3 h SER 164 CO -0.29 0.05 0.44 -0.33 -0.53 0.00 0.00 176.83 176.17 1xn3 h GLU 165 N 0.13 1.10 -0.22 2.24 5.08 -1.79 0.36 114.58 121.48 1xn3 h GLU 165 Ca 0.08 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1xn3 h GLU 165 Cb 0.06 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1xn3 h GLU 165 CO -0.09 0.81 -0.17 0.28 -1.00 0.00 0.00 179.01 178.83 1xn3 h VAL 166 N 1.11 1.23 0.03 3.13 2.07 -0.94 0.94 116.25 123.81 1xn3 h VAL 166 Ca 0.28 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 1xn3 h VAL 166 Cb 0.02 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1xn3 h VAL 166 CO -0.05 0.33 -0.40 -0.07 0.02 0.00 0.00 177.57 177.40 1xn3 h LEU 167 N 0.35 0.09 0.00 2.57 3.38 -1.08 -3.36 115.31 117.26 1xn3 h LEU 167 Ca 0.06 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1xn3 h LEU 167 Cb 0.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xn3 h LEU 167 CO 0.03 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.73 1xn3 n ALA 168 N -2.77 2.45 -2.62 1.53 0.00 0.12 -4.85 120.51 114.38 1xn3 n ALA 168 Ca -0.15 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 1xn3 n ALA 168 Cb 0.59 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 1xn3 n ALA 168 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xn3 s SER 169 N -2.41 5.45 -0.35 0.00 1.04 0.32 -5.00 113.70 112.75 1xn3 s SER 169 Ca 0.32 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1xn3 s SER 169 Cb 0.19 -1.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.15 1xn3 s SER 169 CO 0.40 -0.25 0.23 -0.69 0.98 0.00 0.00 173.24 173.92 1xn3 s VAL 170 N -2.23 5.12 -2.01 5.02 1.01 -1.26 -4.78 120.40 121.27 1xn3 s VAL 170 Ca 0.38 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1xn3 s VAL 170 Cb -0.07 -3.68 0.18 0.00 0.00 0.00 0.00 36.38 32.81 1xn3 s VAL 170 CO 0.26 -0.07 1.16 0.61 0.00 0.00 0.00 175.10 177.07 1xn3 n GLY 171 N 5.09 -0.15 0.00 4.51 0.00 0.20 -4.91 105.19 109.93 1xn3 n GLY 171 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1xn3 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn3 n GLY 172 N 0.80 0.76 2.90 -0.02 0.00 -1.21 -0.64 105.19 107.78 1xn3 n GLY 172 Ca 0.07 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 1xn3 n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn3 s SER 173 N -4.00 0.19 -0.32 1.61 0.01 0.07 -1.40 113.70 109.85 1xn3 s SER 173 Ca 0.00 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1xn3 s SER 173 Cb 0.00 -0.02 0.08 0.00 0.21 0.00 0.00 66.02 66.29 1xn3 s SER 173 CO 0.00 0.02 0.03 -0.32 0.41 0.00 0.00 173.24 173.37 1xn3 s MET 174 N -0.04 1.91 -0.38 12.44 0.00 -1.26 -1.15 119.30 130.81 1xn3 s MET 174 Ca 0.01 -1.64 -0.21 0.00 0.00 0.00 0.00 55.69 53.84 1xn3 s MET 174 Cb -0.01 -3.18 0.01 0.00 0.00 0.00 0.00 34.83 31.65 1xn3 s MET 174 CO -0.00 -0.82 0.69 0.42 0.00 0.00 0.00 175.02 175.31 1xn3 s ILE 175 N 1.04 4.82 -0.31 10.11 -1.09 -0.22 -4.88 121.20 130.67 1xn3 s ILE 175 Ca 0.03 0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 58.83 1xn3 s ILE 175 Cb -0.20 -4.15 -0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1xn3 s ILE 175 CO -0.06 -0.43 0.49 -0.63 -1.23 0.00 0.00 174.94 173.08 1xn3 s ILE 176 N 2.88 5.06 0.00 2.92 1.01 -1.26 -1.15 121.20 130.65 1xn3 s ILE 176 Ca 0.26 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1xn3 s ILE 176 Cb -0.14 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1xn3 s ILE 176 CO 0.17 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1xn3 n GLY 177 N 4.64 0.56 0.00 6.18 0.00 0.35 -4.75 105.19 112.17 1xn3 n GLY 177 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1xn3 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn3 n GLY 178 N -2.00 1.80 3.02 -0.02 0.00 -1.25 -4.26 105.19 102.50 1xn3 n GLY 178 Ca 0.00 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1xn3 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xn3 s ILE 179 N -2.58 1.10 -0.25 -0.61 1.01 -1.26 -4.00 121.20 114.61 1xn3 s ILE 179 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 1xn3 s ILE 179 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 1xn3 s ILE 179 CO 0.00 0.34 0.00 -0.62 0.00 0.00 0.00 174.94 174.66 1xn3 s ASP 180 N 0.58 4.62 0.23 3.58 2.15 -1.26 -1.55 116.67 125.02 1xn3 s ASP 180 Ca -0.13 -0.53 0.21 0.00 0.43 0.00 0.00 52.55 52.53 1xn3 s ASP 180 Cb -0.15 -1.79 0.94 0.00 -0.30 0.00 0.00 42.92 41.63 1xn3 s ASP 180 CO 0.03 -0.09 1.64 1.41 -0.17 0.00 0.00 175.17 177.99 1xn3 n HIS 181 N 4.81 0.67 1.20 -5.34 8.25 -1.14 -2.08 115.22 121.58 1xn3 n HIS 181 Ca -0.17 0.29 0.14 0.00 -0.26 0.00 0.00 57.72 57.71 1xn3 n HIS 181 Cb 0.49 -0.96 0.66 0.00 1.12 0.00 0.00 29.99 31.31 1xn3 n HIS 181 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1xn3 n SER 182 N -2.13 0.00 -0.27 0.41 3.41 -1.26 -3.54 113.62 110.24 1xn3 n SER 182 Ca 0.01 0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 1xn3 n SER 182 Cb 0.16 -0.36 0.32 0.00 -0.26 0.00 0.00 64.21 64.08 1xn3 n SER 182 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xn3 n LEU 183 N -1.36 1.13 -4.11 1.04 4.77 -0.88 -4.81 117.00 112.78 1xn3 n LEU 183 Ca 0.11 -0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 1xn3 n LEU 183 Cb 0.25 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1xn3 n LEU 183 CO 0.23 0.21 -0.02 -0.72 -1.33 0.00 0.00 177.39 175.76 1xn3 s TYR 184 N -2.52 0.84 0.18 -1.77 1.13 -1.23 -1.03 117.35 112.95 1xn3 s TYR 184 Ca 0.23 -1.11 0.06 0.00 -1.41 0.00 0.00 57.07 54.84 1xn3 s TYR 184 Cb 0.19 -0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 40.80 1xn3 s TYR 184 CO 0.53 -0.84 -0.11 0.95 -2.51 0.00 0.00 175.55 173.57 1xn3 s THR 185 N -3.97 1.42 0.00 -3.49 -4.23 -0.74 -4.75 115.64 99.87 1xn3 s THR 185 Ca 0.31 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1xn3 s THR 185 Cb 0.03 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.89 1xn3 s THR 185 CO 0.12 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1xn3 n GLY 186 N -0.30 -0.62 3.95 3.99 0.00 -1.26 -3.60 105.19 107.35 1xn3 n GLY 186 Ca -0.09 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 1xn3 n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn3 s SER 187 N -4.00 6.21 -0.12 1.61 0.01 -1.26 -4.95 113.70 111.20 1xn3 s SER 187 Ca 0.00 0.04 -0.19 0.00 1.31 0.00 0.00 55.95 57.10 1xn3 s SER 187 Cb 0.00 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 1xn3 s SER 187 CO 0.00 -0.05 0.53 -0.76 0.41 0.00 0.00 173.24 173.36 1xn3 s LEU 188 N -3.88 4.27 -0.08 2.44 1.43 -1.26 -4.45 118.68 117.15 1xn3 s LEU 188 Ca 0.34 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1xn3 s LEU 188 Cb -0.09 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 1xn3 s LEU 188 CO 0.28 -0.04 -0.16 0.26 0.23 0.00 0.00 176.35 176.92 1xn3 s TRP 189 N 0.77 2.69 -0.08 0.29 0.52 0.05 -4.88 118.94 118.31 1xn3 s TRP 189 Ca 0.28 -0.45 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 1xn3 s TRP 189 Cb -0.16 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 1xn3 s TRP 189 CO 0.12 -0.04 -0.02 0.71 0.02 0.00 0.00 176.95 177.74 1xn3 s TYR 190 N -0.22 3.09 0.02 -1.98 1.51 -1.26 -0.22 117.35 118.29 1xn3 s TYR 190 Ca 0.00 0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.27 1xn3 s TYR 190 Cb -0.13 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1xn3 s TYR 190 CO 0.03 0.42 -0.22 -0.08 -1.11 0.00 0.00 175.55 174.59 1xn3 s THR 191 N -0.84 2.45 0.51 -0.71 -1.32 -0.15 -3.33 115.64 112.24 1xn3 s THR 191 Ca 0.13 -1.19 -0.21 0.00 -1.21 0.00 0.00 61.69 59.20 1xn3 s THR 191 Cb -0.11 -1.96 -0.07 0.00 -1.51 0.00 0.00 72.50 68.85 1xn3 s THR 191 CO 0.02 0.42 1.15 -2.84 -2.21 0.00 0.00 174.62 171.16 1xn3 s PRO 192 N -1.13 3.54 -0.28 7.08 0.02 -1.26 -0.81 135.00 142.17 1xn3 s PRO 192 Ca 0.12 1.68 -0.26 0.00 0.02 0.00 0.00 61.00 62.57 1xn3 s PRO 192 Cb -0.10 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1xn3 s PRO 192 CO 0.02 -0.71 0.90 0.42 -0.33 0.00 0.00 177.00 177.30 1xn3 s ILE 193 N -1.67 4.73 0.16 2.83 1.01 -0.63 -4.63 121.20 123.00 1xn3 s ILE 193 Ca 0.69 1.55 -0.13 0.00 0.00 0.00 0.00 60.65 62.76 1xn3 s ILE 193 Cb -0.26 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.04 1xn3 s ILE 193 CO 0.30 -0.23 1.72 -0.09 0.00 0.00 0.00 174.94 176.64 1xn3 h ARG 194 N 7.86 0.77 -2.43 2.79 2.43 -1.23 -3.45 114.38 121.12 1xn3 h ARG 194 Ca -0.22 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 1xn3 h ARG 194 Cb 1.08 -0.13 -0.22 0.00 -0.42 0.00 0.00 29.97 30.28 1xn3 h ARG 194 CO 0.92 0.67 -0.06 0.50 -1.51 0.00 0.00 179.97 180.49 1xn3 s ARG 195 N -5.58 0.69 -1.09 0.20 3.52 -1.26 -5.09 118.95 110.34 1xn3 s ARG 195 Ca -0.13 0.59 -0.17 0.00 -0.13 0.00 0.00 55.73 55.90 1xn3 s ARG 195 Cb 0.12 0.33 0.14 0.00 -1.56 0.00 0.00 34.95 33.98 1xn3 s ARG 195 CO 0.78 -0.12 1.32 -1.21 -0.81 0.00 0.00 175.30 175.26 1xn3 s GLU 196 N -0.07 3.86 0.00 5.12 2.02 -1.26 -4.06 118.70 124.30 1xn3 s GLU 196 Ca -0.03 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 52.83 1xn3 s GLU 196 Cb -0.03 -5.04 0.00 0.00 0.10 0.00 0.00 34.13 29.15 1xn3 s GLU 196 CO 0.02 -1.82 0.00 -2.67 0.02 0.00 0.00 175.26 170.81 1xn3 n TRP 197 N 6.33 0.00 -2.24 1.61 4.27 -1.26 -4.62 117.44 121.54 1xn3 n TRP 197 Ca 0.32 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.66 1xn3 n TRP 197 Cb 0.46 0.00 0.14 0.00 -1.36 0.00 0.00 31.31 30.55 1xn3 n TRP 197 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 1xn3 s TYR 198 N 0.00 1.69 -1.09 -2.67 2.02 -1.26 -1.77 117.35 114.27 1xn3 s TYR 198 Ca 0.00 0.07 -0.17 0.00 -0.37 0.00 0.00 57.07 56.60 1xn3 s TYR 198 Cb 0.00 -3.56 0.14 0.00 -0.40 0.00 0.00 41.96 38.14 1xn3 s TYR 198 CO 0.00 -2.15 1.33 0.71 -1.57 0.00 0.00 175.55 173.87 1xn3 s TYR 199 N -3.52 3.25 0.02 2.71 1.51 -1.26 -4.84 117.35 115.22 1xn3 s TYR 199 Ca 0.70 -1.74 -0.22 0.00 -1.01 0.00 0.00 57.07 54.80 1xn3 s TYR 199 Cb -0.05 -4.35 -0.06 0.00 -0.11 0.00 0.00 41.96 37.39 1xn3 s TYR 199 CO 0.49 -1.49 0.65 -2.00 -1.11 0.00 0.00 175.55 172.09 1xn3 s GLU 200 N 2.38 4.37 0.37 -0.62 2.12 -1.26 -2.05 118.70 124.01 1xn3 s GLU 200 Ca 0.40 0.85 0.04 0.00 0.36 0.00 0.00 54.97 56.62 1xn3 s GLU 200 Cb -0.03 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1xn3 s GLU 200 CO -0.04 0.37 0.11 0.14 -0.54 0.00 0.00 175.26 175.31 1xn3 s VAL 201 N -0.26 0.71 -0.14 3.70 -7.23 0.11 -0.67 120.40 116.62 1xn3 s VAL 201 Ca 0.33 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1xn3 s VAL 201 Cb -0.19 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1xn3 s VAL 201 CO 0.19 0.00 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.21 1xn3 s ILE 202 N -3.30 1.55 -0.14 -0.62 1.01 -1.26 -4.08 121.20 114.35 1xn3 s ILE 202 Ca 0.29 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 1xn3 s ILE 202 Cb 0.05 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1xn3 s ILE 202 CO 0.15 0.45 0.37 -0.63 0.00 0.00 0.00 174.94 175.28 1xn3 s ILE 203 N 1.45 5.26 -0.60 2.92 1.01 -1.26 -1.76 121.20 128.22 1xn3 s ILE 203 Ca 0.04 0.71 0.10 0.00 0.00 0.00 0.00 60.65 61.50 1xn3 s ILE 203 Cb -0.13 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 1xn3 s ILE 203 CO -0.10 0.37 0.48 1.33 0.00 0.00 0.00 174.94 177.02 1xn3 n VAL 204 N 3.60 0.00 -3.60 2.92 0.24 0.08 -4.72 118.33 116.85 1xn3 n VAL 204 Ca -0.10 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 1xn3 n VAL 204 Cb 0.52 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.86 1xn3 n VAL 204 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1xn3 s ARG 205 N -1.80 0.63 -0.04 7.34 3.52 -1.25 -4.80 118.95 122.55 1xn3 s ARG 205 Ca 0.05 0.41 0.03 0.00 -0.13 0.00 0.00 55.73 56.08 1xn3 s ARG 205 Cb 0.08 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.78 1xn3 s ARG 205 CO 0.37 -0.15 -0.11 0.08 -0.81 0.00 0.00 175.30 174.69 1xn3 s VAL 206 N -0.46 0.95 0.09 7.11 1.01 -1.26 -0.94 120.40 126.90 1xn3 s VAL 206 Ca -0.01 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1xn3 s VAL 206 Cb -0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1xn3 s VAL 206 CO -0.01 0.30 -0.20 -1.61 0.00 0.00 0.00 175.10 173.58 1xn3 s GLU 207 N 0.37 1.10 -0.22 2.72 2.02 -0.37 -1.24 118.70 123.08 1xn3 s GLU 207 Ca -0.07 -1.10 0.02 0.00 0.02 0.00 0.00 54.97 53.83 1xn3 s GLU 207 Cb -0.12 -1.31 0.05 0.00 0.10 0.00 0.00 34.13 32.85 1xn3 s GLU 207 CO 0.02 0.31 -0.12 0.42 0.02 0.00 0.00 175.26 175.90 1xn3 s ILE 208 N -1.14 1.86 -1.48 -1.63 -1.09 -0.64 -1.25 121.20 115.83 1xn3 s ILE 208 Ca 0.05 -1.20 -0.05 0.00 -2.23 0.00 0.00 60.65 57.22 1xn3 s ILE 208 Cb -0.10 -1.92 0.04 0.00 -1.58 0.00 0.00 42.46 38.91 1xn3 s ILE 208 CO 0.04 0.15 0.55 0.59 -1.23 0.00 0.00 174.94 175.03 1xn3 n ASN 209 N 4.60 -1.30 0.00 3.58 5.03 -0.04 -1.13 115.26 125.99 1xn3 n ASN 209 Ca -0.15 -0.99 0.00 0.00 0.87 0.00 0.00 54.58 54.31 1xn3 n ASN 209 Cb 0.46 -3.08 0.00 0.00 -1.02 0.00 0.00 39.78 36.13 1xn3 n ASN 209 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xn3 n GLY 210 N -1.83 2.12 3.61 7.41 0.00 -1.26 -4.99 105.19 110.26 1xn3 n GLY 210 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1xn3 n GLY 210 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xn3 s GLN 211 N -0.04 4.03 0.19 1.61 0.74 -0.29 -4.98 119.66 120.94 1xn3 s GLN 211 Ca 0.00 0.26 -0.32 0.00 0.05 0.00 0.00 55.36 55.34 1xn3 s GLN 211 Cb 0.00 -3.66 -0.12 0.00 1.10 0.00 0.00 33.01 30.32 1xn3 s GLN 211 CO 0.00 -0.36 1.69 -3.47 -0.55 0.00 0.00 175.29 172.60 1xn3 n ASP 212 N 5.53 3.78 0.24 6.67 2.03 -1.26 -1.62 116.55 131.92 1xn3 n ASP 212 Ca -0.05 1.06 0.13 0.00 0.52 0.00 0.00 54.79 56.45 1xn3 n ASP 212 Cb 0.50 -1.54 0.52 0.00 -0.72 0.00 0.00 41.12 39.88 1xn3 n ASP 212 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1xn3 h LEU 213 N 6.65 0.00 -1.85 -2.67 5.85 -1.55 -3.47 115.31 118.26 1xn3 h LEU 213 Ca -0.44 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 57.82 1xn3 h LEU 213 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1xn3 h LEU 213 CO 0.94 0.13 -0.86 1.17 -0.34 0.00 0.00 178.44 179.48 1xn3 n LYS 214 N -3.27 -3.98 -3.76 1.25 4.81 -1.26 -5.01 118.16 106.94 1xn3 n LYS 214 Ca 0.01 0.50 -0.21 0.00 -0.87 0.00 0.00 58.31 57.73 1xn3 n LYS 214 Cb 0.39 -4.80 -0.03 0.00 0.02 0.00 0.00 35.03 30.61 1xn3 n LYS 214 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1xn3 s MET 215 N -6.31 2.78 0.09 1.64 -1.94 -1.26 -5.04 119.30 109.26 1xn3 s MET 215 Ca 0.00 -1.25 -0.31 0.00 -1.71 0.00 0.00 55.69 52.42 1xn3 s MET 215 Cb -0.00 -2.53 -0.09 0.00 2.01 0.00 0.00 34.83 34.22 1xn3 s MET 215 CO 0.86 0.09 1.74 0.34 -0.01 0.00 0.00 175.02 178.04 1xn3 s ASP 216 N -4.02 6.52 0.62 3.03 3.68 -1.26 -4.85 116.67 120.39 1xn3 s ASP 216 Ca 0.42 2.60 0.31 0.00 2.13 0.00 0.00 52.55 58.01 1xn3 s ASP 216 Cb -0.06 -2.56 1.74 0.00 -1.45 0.00 0.00 42.92 40.58 1xn3 s ASP 216 CO 0.27 -0.95 2.06 0.00 0.13 0.00 0.00 175.17 176.68 1xn3 h LYS 218 N 0.00 0.00 -0.14 0.00 1.57 -1.81 -1.11 116.57 115.09 1xn3 h LYS 218 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1xn3 h LYS 218 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1xn3 h LYS 218 CO -0.00 0.01 -0.41 0.93 -0.57 0.00 0.00 179.45 179.41 1xn3 h GLU 219 N 0.00 0.31 0.00 3.15 4.39 -0.75 -1.64 114.58 120.05 1xn3 h GLU 219 Ca -0.00 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1xn3 h GLU 219 Cb 0.18 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1xn3 h GLU 219 CO 0.00 0.67 -0.19 1.88 -1.16 0.00 0.00 179.01 180.22 1xn3 h TYR 220 N 0.26 0.00 -0.08 4.33 0.99 -1.34 -2.78 116.97 118.36 1xn3 h TYR 220 Ca 0.02 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1xn3 h TYR 220 Cb 0.84 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.55 1xn3 h TYR 220 CO 0.02 0.19 -0.25 0.09 -0.00 0.00 0.00 178.16 178.21 1xn3 n ASN 221 N -3.61 2.18 -4.57 3.88 3.02 -1.03 -4.33 115.26 110.80 1xn3 n ASN 221 Ca -0.01 -3.58 -0.40 0.00 -0.03 0.00 0.00 54.58 50.55 1xn3 n ASN 221 Cb 0.32 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 1xn3 n ASN 221 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xn3 n TYR 222 N -1.17 1.68 0.00 3.10 9.36 -0.64 -0.83 117.16 128.65 1xn3 n TYR 222 Ca 0.21 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1xn3 n TYR 222 Cb 0.75 -2.67 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 1xn3 n TYR 222 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1xn3 n ASP 223 N 13.47 0.00 -3.61 2.98 -0.08 -1.26 -3.17 116.55 124.87 1xn3 n ASP 223 Ca 0.35 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.61 1xn3 n ASP 223 Cb 0.47 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.91 1xn3 n ASP 223 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1xn3 s LYS 224 N 0.00 0.20 -0.08 -0.67 -2.85 -0.01 -4.74 119.74 111.59 1xn3 s LYS 224 Ca 0.00 -0.09 0.02 0.00 -1.00 0.00 0.00 55.97 54.90 1xn3 s LYS 224 Cb 0.00 0.08 0.02 0.00 -2.06 0.00 0.00 37.83 35.87 1xn3 s LYS 224 CO 0.00 -0.09 -0.12 -1.12 0.10 0.00 0.00 175.35 174.12 1xn3 s SER 225 N -2.35 2.01 0.19 0.03 0.01 -1.26 -0.77 113.70 111.56 1xn3 s SER 225 Ca 0.12 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.09 1xn3 s SER 225 Cb 0.01 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.30 1xn3 s SER 225 CO -0.04 0.00 -0.05 0.27 0.41 0.00 0.00 173.24 173.83 1xn3 s ILE 226 N 0.94 1.11 -0.28 1.44 -4.36 -0.52 -0.71 121.20 118.82 1xn3 s ILE 226 Ca -0.09 -2.05 -0.08 0.00 -0.26 0.00 0.00 60.65 58.17 1xn3 s ILE 226 Cb -0.15 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 1xn3 s ILE 226 CO 0.00 -0.53 0.09 -0.69 0.24 0.00 0.00 174.94 174.05 1xn3 s VAL 227 N -3.37 4.30 -0.28 8.37 1.01 -0.87 -0.82 120.40 128.75 1xn3 s VAL 227 Ca 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1xn3 s VAL 227 Cb 0.04 -3.11 0.09 0.00 0.00 0.00 0.00 36.38 33.41 1xn3 s VAL 227 CO 0.05 0.21 0.10 -0.62 0.00 0.00 0.00 175.10 174.83 1xn3 s ASP 228 N 1.59 3.63 0.03 3.32 2.15 -0.49 -4.44 116.67 122.46 1xn3 s ASP 228 Ca 0.05 -1.35 0.16 0.00 0.43 0.00 0.00 52.55 51.84 1xn3 s ASP 228 Cb -0.16 -0.64 0.68 0.00 -0.30 0.00 0.00 42.92 42.51 1xn3 s ASP 228 CO 0.04 -0.40 1.51 -1.54 -0.17 0.00 0.00 175.17 174.61 1xn3 n SER 229 N 5.02 0.09 -0.67 -0.34 3.41 -1.26 -2.37 113.62 117.51 1xn3 n SER 229 Ca -0.05 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 1xn3 n SER 229 Cb 0.43 -0.54 0.29 0.00 -0.26 0.00 0.00 64.21 64.13 1xn3 n SER 229 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xn3 n GLY 230 N 0.04 0.62 3.30 5.00 0.00 -1.26 -4.61 105.19 108.27 1xn3 n GLY 230 Ca 0.03 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1xn3 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn3 s THR 231 N -1.64 2.05 -0.05 2.61 2.01 -1.00 -5.03 115.64 114.59 1xn3 s THR 231 Ca 0.31 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.03 1xn3 s THR 231 Cb 0.16 -1.71 -0.12 0.00 0.01 0.00 0.00 72.50 70.84 1xn3 s THR 231 CO 0.24 0.58 0.75 0.74 -0.69 0.00 0.00 174.62 176.23 1xn3 h THR 232 N 4.64 0.51 -4.11 -0.82 2.02 -1.86 0.82 112.91 114.11 1xn3 h THR 232 Ca -0.40 -0.93 -0.46 0.00 0.77 0.00 0.00 66.41 65.39 1xn3 h THR 232 Cb 1.14 0.85 0.11 0.00 -1.74 0.00 0.00 68.15 68.51 1xn3 h THR 232 CO 0.47 0.13 0.35 0.20 0.37 0.00 0.00 175.52 177.04 1xn3 s ASN 233 N -5.28 4.27 -0.39 4.18 0.01 -1.26 -0.90 114.94 115.57 1xn3 s ASN 233 Ca -0.10 0.51 -0.19 0.00 -0.71 0.00 0.00 52.86 52.36 1xn3 s ASN 233 Cb 0.01 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.74 1xn3 s ASN 233 CO 0.37 -2.01 0.57 -0.22 -1.51 0.00 0.00 177.10 174.30 1xn3 s LEU 234 N -5.53 4.43 -0.13 0.60 0.20 -0.61 -1.63 118.68 116.01 1xn3 s LEU 234 Ca 0.64 -0.17 -0.05 0.00 0.69 0.00 0.00 54.13 55.24 1xn3 s LEU 234 Cb -0.09 -2.65 -0.04 0.00 -0.43 0.00 0.00 46.19 42.99 1xn3 s LEU 234 CO 0.48 -0.61 0.06 -0.13 -0.29 0.00 0.00 176.35 175.87 1xn3 s ARG 235 N 2.56 3.47 0.04 1.98 0.52 0.06 -1.79 118.95 125.80 1xn3 s ARG 235 Ca 0.20 -0.30 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 1xn3 s ARG 235 Cb -0.15 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 1xn3 s ARG 235 CO 0.15 0.57 -0.19 -0.51 0.02 0.00 0.00 175.30 175.35 1xn3 s LEU 236 N -0.48 2.15 0.58 2.53 1.43 -0.04 -0.56 118.68 124.29 1xn3 s LEU 236 Ca 0.10 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 1xn3 s LEU 236 Cb -0.12 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 1xn3 s LEU 236 CO 0.02 0.14 1.00 -2.65 0.23 0.00 0.00 176.35 175.09 1xn3 n PRO 237 N 1.96 1.00 -0.40 1.29 -0.02 -1.26 0.14 135.00 137.71 1xn3 n PRO 237 Ca -0.17 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 61.64 1xn3 n PRO 237 Cb 0.54 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1xn3 n PRO 237 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1xn3 n LYS 238 N -0.90 -0.32 -0.30 -0.52 4.81 -1.16 -0.02 118.16 119.75 1xn3 n LYS 238 Ca 0.13 1.52 -0.02 0.00 -0.87 0.00 0.00 58.31 59.08 1xn3 n LYS 238 Cb 0.46 -2.25 0.11 0.00 0.02 0.00 0.00 35.03 33.37 1xn3 n LYS 238 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1xn3 h LYS 239 N 0.00 0.97 -0.24 1.64 1.57 -1.93 0.46 116.57 119.05 1xn3 h LYS 239 Ca 0.27 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1xn3 h LYS 239 Cb 0.52 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xn3 h LYS 239 CO -0.97 0.64 -0.21 0.28 -0.57 0.00 0.00 179.45 178.62 1xn3 h VAL 240 N 1.00 1.32 -0.29 0.50 2.07 -1.57 -1.84 116.25 117.44 1xn3 h VAL 240 Ca 0.33 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.53 1xn3 h VAL 240 Cb 0.04 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1xn3 h VAL 240 CO -0.12 0.43 0.04 0.15 0.02 0.00 0.00 177.57 178.09 1xn3 h PHE 241 N 0.26 0.07 -0.57 1.57 3.57 0.04 0.29 116.94 122.17 1xn3 h PHE 241 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1xn3 h PHE 241 Cb 0.76 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1xn3 h PHE 241 CO 0.07 0.00 0.37 0.93 -2.23 0.00 0.00 178.31 177.46 1xn3 h GLU 242 N 0.15 0.74 -0.54 1.11 4.39 -0.87 -0.40 114.58 119.16 1xn3 h GLU 242 Ca 0.14 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 1xn3 h GLU 242 Cb 0.16 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1xn3 h GLU 242 CO -0.19 0.49 -0.08 0.00 -1.16 0.00 0.00 179.01 178.07 1xn3 h ALA 243 N 1.21 0.83 -0.03 3.43 0.00 -0.75 -2.35 119.26 121.60 1xn3 h ALA 243 Ca 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xn3 h ALA 243 Cb -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1xn3 h ALA 243 CO -0.05 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.87 1xn3 h ALA 244 N 1.00 0.04 -0.73 0.00 0.00 0.02 -2.31 119.26 117.28 1xn3 h ALA 244 Ca 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xn3 h ALA 244 Cb 0.63 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1xn3 h ALA 244 CO 0.04 -0.36 0.46 0.28 0.00 0.00 0.00 179.25 179.68 1xn3 h VAL 245 N -0.16 1.13 -0.66 0.00 2.07 -1.08 0.27 116.25 117.82 1xn3 h VAL 245 Ca 0.01 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1xn3 h VAL 245 Cb 0.21 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1xn3 h VAL 245 CO -0.00 0.17 0.41 0.50 0.02 0.00 0.00 177.57 178.67 1xn3 h LYS 246 N 0.92 0.79 -0.36 1.57 3.64 -1.32 0.21 116.57 122.02 1xn3 h LYS 246 Ca 0.28 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1xn3 h LYS 246 Cb -0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1xn3 h LYS 246 CO -0.09 0.52 -0.17 1.03 -2.27 0.00 0.00 179.45 178.46 1xn3 h SER 247 N 0.81 0.78 -0.63 4.20 0.87 -0.78 -1.62 113.55 117.17 1xn3 h SER 247 Ca 0.26 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1xn3 h SER 247 Cb 0.01 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 1xn3 h SER 247 CO -0.10 1.01 0.19 0.40 -0.53 0.00 0.00 176.83 177.80 1xn3 h ILE 248 N 0.54 1.25 -0.31 2.23 2.04 -0.07 -1.31 117.51 121.89 1xn3 h ILE 248 Ca 0.08 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1xn3 h ILE 248 Cb 0.72 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1xn3 h ILE 248 CO 0.05 0.33 0.12 0.11 0.00 0.00 0.00 178.15 178.76 1xn3 h LYS 249 N 0.92 0.26 -0.80 2.37 1.57 -0.48 -1.74 116.57 118.67 1xn3 h LYS 249 Ca 0.20 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1xn3 h LYS 249 Cb 0.30 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1xn3 h LYS 249 CO -0.00 0.17 0.35 0.00 -0.57 0.00 0.00 179.45 179.40 1xn3 h ALA 250 N 1.18 1.11 0.00 3.86 0.00 -0.95 -0.91 119.26 123.55 1xn3 h ALA 250 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1xn3 h ALA 250 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xn3 h ALA 250 CO -0.12 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.49 1xn3 h ALA 251 N 1.23 1.32 -0.47 0.00 0.00 -0.92 -3.11 119.26 117.30 1xn3 h ALA 251 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xn3 h ALA 251 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xn3 h ALA 251 CO -0.03 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 1xn3 n SER 252 N -3.90 3.99 0.33 0.00 3.41 -0.68 -4.74 113.62 112.03 1xn3 n SER 252 Ca -0.02 -2.43 0.16 0.00 -0.26 0.00 0.00 58.87 56.33 1xn3 n SER 252 Cb 0.37 -0.46 0.86 0.00 -0.26 0.00 0.00 64.21 64.71 1xn3 n SER 252 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xn3 h SER 253 N 2.95 0.00 0.10 4.04 4.64 -1.11 -2.06 113.55 122.11 1xn3 h SER 253 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xn3 h SER 253 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1xn3 h SER 253 CO 0.15 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.46 1xn3 n THR 254 N -2.90 1.60 -4.11 2.95 -2.24 -1.26 -4.42 114.28 103.90 1xn3 n THR 254 Ca -0.02 0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 62.12 1xn3 n THR 254 Cb 0.34 -1.47 -0.13 0.00 -2.10 0.00 0.00 70.33 66.96 1xn3 n THR 254 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xn3 s GLU 255 N -3.14 0.45 0.07 -0.78 2.02 -0.78 -5.16 118.70 111.39 1xn3 s GLU 255 Ca 0.01 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.64 1xn3 s GLU 255 Cb 0.03 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 1xn3 s GLU 255 CO 0.10 0.08 -0.04 0.15 0.02 0.00 0.00 175.26 175.57 1xn3 s LYS 256 N -0.70 2.45 0.03 1.61 -0.14 -1.26 -4.95 119.74 116.77 1xn3 s LYS 256 Ca -0.03 -0.85 0.02 0.00 -1.36 0.00 0.00 55.97 53.76 1xn3 s LYS 256 Cb -0.05 -2.47 -0.02 0.00 -1.68 0.00 0.00 37.83 33.61 1xn3 s LYS 256 CO 0.00 0.55 -0.07 -0.06 -0.76 0.00 0.00 175.35 175.01 1xn3 s PHE 257 N -1.19 0.64 0.85 3.18 0.40 -1.26 -5.15 117.98 115.45 1xn3 s PHE 257 Ca 0.22 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 56.06 1xn3 s PHE 257 Cb -0.11 -0.39 0.11 0.00 0.51 0.00 0.00 43.02 43.14 1xn3 s PHE 257 CO 0.14 -0.05 1.18 -1.25 0.70 0.00 0.00 175.22 175.94 1xn3 s PRO 258 N -1.12 1.36 0.27 0.24 0.04 -1.26 -4.87 135.00 129.66 1xn3 s PRO 258 Ca -0.06 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1xn3 s PRO 258 Cb -0.07 -1.75 0.49 0.00 0.04 0.00 0.00 34.50 33.20 1xn3 s PRO 258 CO 0.00 -2.41 1.84 -0.44 0.04 0.00 0.00 177.00 176.04 1xn3 h ASP 259 N -1.31 0.92 -1.02 6.66 3.32 -2.01 -0.55 116.42 122.43 1xn3 h ASP 259 Ca -0.45 0.04 0.28 0.00 0.02 0.00 0.00 57.03 56.92 1xn3 h ASP 259 Cb 1.29 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 1xn3 h ASP 259 CO 0.44 0.52 0.71 1.23 -1.72 0.00 0.00 179.24 180.43 1xn3 h GLY 260 N 1.01 0.32 0.57 2.75 0.00 -1.94 -1.03 103.07 104.76 1xn3 h GLY 260 Ca 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1xn3 h GLY 260 CO -0.24 -0.03 -0.12 -2.75 0.00 0.00 0.00 176.54 173.41 1xn3 h PHE 261 N 0.12 -0.31 0.00 5.60 3.57 -1.26 -1.55 116.94 123.10 1xn3 h PHE 261 Ca 0.51 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.00 1xn3 h PHE 261 Cb 1.80 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.64 1xn3 h PHE 261 CO -0.00 0.05 0.00 -1.49 -2.23 0.00 0.00 178.31 174.64 1xn3 h TRP 262 N -0.77 0.00 -0.07 0.41 4.06 -1.26 0.18 115.95 118.51 1xn3 h TRP 262 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1xn3 h TRP 262 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1xn3 h TRP 262 CO 0.04 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.20 1xn3 n LEU 263 N -2.90 1.20 -0.76 -4.49 4.77 -0.63 -4.91 117.00 109.27 1xn3 n LEU 263 Ca -0.02 -0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 55.41 1xn3 n LEU 263 Cb 0.11 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1xn3 n LEU 263 CO 0.19 0.22 -0.09 0.61 -1.33 0.00 0.00 177.39 176.99 1xn3 n GLY 264 N 1.09 1.09 0.13 -0.72 0.00 0.64 -4.89 105.19 102.54 1xn3 n GLY 264 Ca 0.18 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1xn3 n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xn3 n GLU 265 N -2.02 0.69 -4.38 1.61 1.02 -0.64 -4.78 120.64 112.15 1xn3 n GLU 265 Ca -0.10 0.28 -0.28 0.00 -0.02 0.00 0.00 57.16 57.03 1xn3 n GLU 265 Cb 0.41 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 30.06 1xn3 n GLU 265 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1xn3 s GLN 266 N -2.52 1.37 0.75 3.49 -2.07 -0.88 -5.01 119.66 114.79 1xn3 s GLN 266 Ca -0.28 -1.33 -0.11 0.00 -1.82 0.00 0.00 55.36 51.82 1xn3 s GLN 266 Cb 0.08 -1.84 0.04 0.00 -1.09 0.00 0.00 33.01 30.20 1xn3 s GLN 266 CO 0.68 0.44 1.08 -0.48 -1.32 0.00 0.00 175.29 175.69 1xn3 s LEU 267 N -2.04 2.81 0.02 2.60 2.34 -1.26 -4.21 118.68 118.94 1xn3 s LEU 267 Ca 0.13 1.36 0.06 0.00 0.06 0.00 0.00 54.13 55.74 1xn3 s LEU 267 Cb -0.10 -4.09 -0.02 0.00 -0.56 0.00 0.00 46.19 41.42 1xn3 s LEU 267 CO 0.06 -1.68 -0.19 -0.69 -1.06 0.00 0.00 176.35 172.79 1xn3 s VAL 268 N -3.17 1.52 0.12 1.48 1.01 0.06 -4.93 120.40 116.49 1xn3 s VAL 268 Ca 0.59 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1xn3 s VAL 268 Cb -0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1xn3 s VAL 268 CO 0.54 0.27 -0.15 0.00 0.00 0.00 0.00 175.10 175.76 1xn3 s TRP 270 N -1.88 0.32 0.38 0.00 0.51 -0.73 -4.98 118.94 112.57 1xn3 s TRP 270 Ca 0.08 -0.53 -0.27 0.00 -2.12 0.00 0.00 56.10 53.27 1xn3 s TRP 270 Cb -0.06 -0.22 -0.11 0.00 -0.81 0.00 0.00 33.47 32.26 1xn3 s TRP 270 CO 0.04 -0.17 1.27 1.04 -0.51 0.00 0.00 176.95 178.61 1xn3 n GLN 271 N 1.58 2.01 -1.16 4.98 6.02 -1.26 -0.74 117.38 128.80 1xn3 n GLN 271 Ca -0.24 0.71 -0.45 0.00 -0.01 0.00 0.00 57.00 57.01 1xn3 n GLN 271 Cb 0.55 -2.34 -0.06 0.00 1.02 0.00 0.00 30.24 29.40 1xn3 n GLN 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xn3 n ALA 272 N 0.05 -1.62 -0.43 -1.58 0.00 -1.23 -0.80 120.51 114.90 1xn3 n ALA 272 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xn3 n ALA 272 Cb 0.38 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1xn3 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xn3 n GLY 273 N 2.15 2.10 1.38 0.00 0.00 -1.26 -4.90 105.19 104.66 1xn3 n GLY 273 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1xn3 n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xn3 n THR 274 N -2.00 1.16 -1.70 2.61 -2.24 0.02 -4.98 114.28 107.15 1xn3 n THR 274 Ca 0.00 -1.04 -0.54 0.00 -2.27 0.00 0.00 64.05 60.19 1xn3 n THR 274 Cb 0.00 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1xn3 n THR 274 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xn3 n THR 275 N 1.52 0.41 -1.47 4.28 -1.04 -1.26 -4.78 114.28 111.93 1xn3 n THR 275 Ca 0.24 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.78 1xn3 n THR 275 Cb 0.67 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.71 1xn3 n THR 275 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1xn3 n PRO 276 N 5.84 2.86 -0.27 -2.82 -0.04 -1.26 -4.75 135.00 134.56 1xn3 n PRO 276 Ca 0.25 -2.31 0.08 0.00 -0.04 0.00 0.00 63.50 61.48 1xn3 n PRO 276 Cb 0.19 -3.05 0.23 0.00 -0.04 0.00 0.00 33.50 30.82 1xn3 n PRO 276 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1xn3 h TRP 277 N 5.99 0.38 -0.14 0.54 4.06 -1.96 -1.78 115.95 123.04 1xn3 h TRP 277 Ca 0.63 0.04 0.04 0.00 2.06 0.00 0.00 58.89 61.67 1xn3 h TRP 277 Cb 0.51 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 1xn3 h TRP 277 CO 1.59 -0.09 0.20 -2.95 -3.56 0.00 0.00 178.44 173.63 1xn3 h ASN 278 N 0.30 0.00 1.90 -3.49 7.08 -2.00 -1.25 115.58 118.12 1xn3 h ASN 278 Ca 0.47 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.69 1xn3 h ASN 278 Cb 0.85 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.09 1xn3 h ASN 278 CO -0.54 0.00 -0.00 0.16 -2.08 0.00 0.00 177.43 174.97 1xn3 h ILE 279 N 0.00 0.01 -3.35 6.14 3.07 -1.69 -3.44 117.51 118.25 1xn3 h ILE 279 Ca 0.07 -0.96 -0.56 0.00 1.55 0.00 0.00 64.86 64.96 1xn3 h ILE 279 Cb 0.48 1.95 -0.04 0.00 -0.27 0.00 0.00 36.82 38.94 1xn3 h ILE 279 CO -0.00 0.00 0.05 -0.36 -1.05 0.00 0.00 178.15 176.79 1xn3 s PHE 280 N -3.25 3.84 0.59 0.16 0.08 -0.47 -3.88 117.98 115.04 1xn3 s PHE 280 Ca 0.06 1.41 -0.13 0.00 0.12 0.00 0.00 56.93 58.40 1xn3 s PHE 280 Cb 0.05 -2.61 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 1xn3 s PHE 280 CO 0.66 0.54 1.02 -1.25 -0.10 0.00 0.00 175.22 176.08 1xn3 s PRO 281 N -1.04 3.70 0.54 0.24 0.04 -1.26 -4.81 135.00 132.40 1xn3 s PRO 281 Ca 0.32 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 1xn3 s PRO 281 Cb -0.21 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1xn3 s PRO 281 CO 0.22 -0.49 0.86 0.14 0.04 0.00 0.00 177.00 177.77 1xn3 s VAL 282 N -3.01 4.48 -0.10 -0.36 -7.23 -1.26 -4.36 120.40 108.56 1xn3 s VAL 282 Ca 0.56 0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.99 1xn3 s VAL 282 Cb -0.11 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.11 1xn3 s VAL 282 CO 0.47 -0.77 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.72 1xn3 s ILE 283 N -2.89 1.39 -0.12 -0.62 1.01 -0.70 -0.86 121.20 118.40 1xn3 s ILE 283 Ca 0.51 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1xn3 s ILE 283 Cb -0.10 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1xn3 s ILE 283 CO 0.46 0.42 -0.13 -0.44 0.00 0.00 0.00 174.94 175.26 1xn3 s SER 284 N 0.98 4.07 -0.19 3.58 0.01 -0.38 -1.00 113.70 120.77 1xn3 s SER 284 Ca -0.07 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 1xn3 s SER 284 Cb -0.15 -1.52 -0.00 0.00 0.21 0.00 0.00 66.02 64.56 1xn3 s SER 284 CO -0.01 0.19 -0.10 -0.76 0.41 0.00 0.00 173.24 172.98 1xn3 s LEU 285 N 0.19 2.67 -0.07 2.44 1.43 0.00 -1.23 118.68 124.12 1xn3 s LEU 285 Ca -0.07 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1xn3 s LEU 285 Cb -0.15 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1xn3 s LEU 285 CO 0.05 0.02 0.45 -0.31 0.23 0.00 0.00 176.35 176.79 1xn3 s TYR 286 N 1.22 3.61 0.09 0.29 1.51 -0.11 -0.96 117.35 123.00 1xn3 s TYR 286 Ca 0.02 0.94 0.09 0.00 -1.01 0.00 0.00 57.07 57.12 1xn3 s TYR 286 Cb -0.14 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 1xn3 s TYR 286 CO -0.04 0.36 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.05 1xn3 s LEU 287 N -0.08 2.55 0.35 -1.29 1.43 0.27 -0.74 118.68 121.17 1xn3 s LEU 287 Ca 0.25 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 1xn3 s LEU 287 Cb -0.16 -1.45 -0.11 0.00 0.03 0.00 0.00 46.19 44.50 1xn3 s LEU 287 CO 0.12 0.21 1.54 -0.32 0.23 0.00 0.00 176.35 178.12 1xn3 s MET 288 N -1.84 4.10 0.67 1.70 -2.45 -0.72 -1.99 119.30 118.77 1xn3 s MET 288 Ca 0.16 2.59 0.02 0.00 -1.25 0.00 0.00 55.69 57.21 1xn3 s MET 288 Cb -0.10 -2.98 0.13 0.00 1.25 0.00 0.00 34.83 33.12 1xn3 s MET 288 CO 0.07 -0.59 0.91 0.41 1.05 0.00 0.00 175.02 176.88 1xn3 n GLY 289 N 1.09 0.98 0.07 2.11 0.00 0.87 -4.15 105.19 106.16 1xn3 n GLY 289 Ca 0.04 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 1xn3 n GLY 289 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xn3 h GLU 290 N 0.00 0.00 -6.55 1.61 5.08 -1.79 -3.42 114.58 109.52 1xn3 h GLU 290 Ca -0.30 -0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.53 1xn3 h GLU 290 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1xn3 h GLU 290 CO 0.35 0.88 0.29 0.08 -1.00 0.00 0.00 179.01 179.61 1xn3 s VAL 291 N -2.68 4.43 0.30 3.13 1.01 -1.26 -4.99 120.40 120.33 1xn3 s VAL 291 Ca -0.01 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.63 1xn3 s VAL 291 Cb 0.09 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 1xn3 s VAL 291 CO 0.82 0.40 1.18 0.41 0.00 0.00 0.00 175.10 177.91 1xn3 n THR 292 N 2.33 1.81 -1.70 3.92 -1.04 -1.26 -1.30 114.28 117.05 1xn3 n THR 292 Ca -0.01 -0.45 -0.20 0.00 -2.04 0.00 0.00 64.05 61.35 1xn3 n THR 292 Cb 0.49 -1.28 -0.07 0.00 -1.82 0.00 0.00 70.33 67.64 1xn3 n THR 292 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xn3 n ASN 293 N 1.19 -5.29 -4.30 8.00 3.02 -1.26 -4.97 115.26 111.65 1xn3 n ASN 293 Ca 0.08 0.42 -0.31 0.00 -0.03 0.00 0.00 54.58 54.74 1xn3 n ASN 293 Cb 0.33 -4.66 -0.16 0.00 -0.61 0.00 0.00 39.78 34.69 1xn3 n ASN 293 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1xn3 s GLN 294 N -3.88 2.22 0.22 3.52 0.74 -0.42 -1.01 119.66 121.05 1xn3 s GLN 294 Ca 0.00 -0.92 0.01 0.00 0.05 0.00 0.00 55.36 54.50 1xn3 s GLN 294 Cb 0.00 -2.07 -0.05 0.00 1.10 0.00 0.00 33.01 31.99 1xn3 s GLN 294 CO 0.00 0.52 0.07 -1.54 -0.55 0.00 0.00 175.29 173.78 1xn3 s SER 295 N -0.50 1.07 0.25 6.67 1.04 -0.18 -0.09 113.70 121.97 1xn3 s SER 295 Ca 0.07 -1.31 0.02 0.00 0.48 0.00 0.00 55.95 55.21 1xn3 s SER 295 Cb -0.11 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1xn3 s SER 295 CO 0.00 -0.69 0.18 0.72 0.98 0.00 0.00 173.24 174.44 1xn3 s PHE 296 N -3.77 1.41 0.06 5.02 -0.12 -0.84 -0.11 117.98 119.63 1xn3 s PHE 296 Ca 0.33 -1.47 0.02 0.00 -0.05 0.00 0.00 56.93 55.76 1xn3 s PHE 296 Cb 0.07 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1xn3 s PHE 296 CO 0.10 -0.70 -0.08 -0.98 -0.05 0.00 0.00 175.22 173.51 1xn3 s ARG 297 N -3.89 0.61 -0.09 1.99 1.70 0.28 -0.56 118.95 118.99 1xn3 s ARG 297 Ca 0.39 -0.89 0.03 0.00 -0.47 0.00 0.00 55.73 54.79 1xn3 s ARG 297 Cb 0.05 -0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.11 1xn3 s ARG 297 CO 0.18 0.04 -0.18 0.96 -1.08 0.00 0.00 175.30 175.23 1xn3 s ILE 298 N -1.83 2.69 -0.14 4.99 -4.36 -0.13 -1.46 121.20 120.95 1xn3 s ILE 298 Ca -0.05 -0.82 0.02 0.00 -0.26 0.00 0.00 60.65 59.54 1xn3 s ILE 298 Cb -0.07 -2.06 0.01 0.00 1.25 0.00 0.00 42.46 41.59 1xn3 s ILE 298 CO -0.01 0.56 -0.21 -0.89 0.24 0.00 0.00 174.94 174.63 1xn3 s THR 299 N -0.08 2.02 0.26 8.37 2.01 0.89 -0.82 115.64 128.29 1xn3 s THR 299 Ca -0.04 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.09 1xn3 s THR 299 Cb -0.14 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1xn3 s THR 299 CO 0.04 0.54 0.11 0.27 -0.69 0.00 0.00 174.62 174.90 1xn3 s ILE 300 N 0.89 3.95 0.42 1.82 -4.36 -0.17 -1.67 121.20 122.08 1xn3 s ILE 300 Ca -0.05 -1.63 0.08 0.00 -0.26 0.00 0.00 60.65 58.78 1xn3 s ILE 300 Cb -0.15 -3.15 -0.03 0.00 1.25 0.00 0.00 42.46 40.39 1xn3 s ILE 300 CO -0.03 -0.35 0.33 -0.76 0.24 0.00 0.00 174.94 174.37 1xn3 s LEU 301 N -3.78 3.30 0.55 0.37 1.43 -1.26 -1.72 118.68 117.58 1xn3 s LEU 301 Ca 0.33 -0.84 0.30 0.00 -1.03 0.00 0.00 54.13 52.89 1xn3 s LEU 301 Cb -0.07 -1.88 1.63 0.00 0.03 0.00 0.00 46.19 45.90 1xn3 s LEU 301 CO 0.23 -0.65 2.14 1.55 0.23 0.00 0.00 176.35 179.85 1xn3 h PRO 302 N 1.11 0.00 0.00 1.29 0.13 -1.88 0.25 132.00 132.90 1xn3 h PRO 302 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1xn3 h PRO 302 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xn3 h PRO 302 CO 0.60 0.07 -0.00 1.96 -0.23 0.00 0.00 178.00 180.40 1xn3 h GLN 303 N 0.00 0.00 0.00 0.86 7.50 -1.87 0.72 115.11 122.32 1xn3 h GLN 303 Ca -0.00 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 58.85 1xn3 h GLN 303 Cb 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.73 1xn3 h GLN 303 CO 0.01 0.00 -1.64 1.04 -1.50 0.00 0.00 178.83 176.74 1xn3 n GLN 304 N -3.20 0.58 0.00 1.46 3.00 0.83 -4.53 117.38 115.51 1xn3 n GLN 304 Ca -0.03 0.48 0.15 0.00 -0.01 0.00 0.00 57.00 57.60 1xn3 n GLN 304 Cb 0.10 -1.67 0.85 0.00 0.00 0.00 0.00 30.24 29.51 1xn3 n GLN 304 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1xn3 n TYR 305 N -4.36 0.00 -3.65 1.08 0.18 -0.87 -4.46 117.16 105.09 1xn3 n TYR 305 Ca -0.39 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.00 1xn3 n TYR 305 Cb 0.75 -0.15 -0.11 0.00 -0.38 0.00 0.00 39.34 39.44 1xn3 n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1xn3 s LEU 306 N -2.31 4.66 -0.17 -3.48 1.43 0.22 -0.30 118.68 118.73 1xn3 s LEU 306 Ca 0.38 -1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.11 1xn3 s LEU 306 Cb 0.21 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1xn3 s LEU 306 CO 0.42 -0.39 0.79 -0.60 0.23 0.00 0.00 176.35 176.80 1xn3 s ARG 307 N 1.49 4.28 0.19 1.70 3.52 0.48 -4.81 118.95 125.79 1xn3 s ARG 307 Ca 0.01 0.94 -0.32 0.00 -0.13 0.00 0.00 55.73 56.23 1xn3 s ARG 307 Cb -0.20 -3.57 -0.11 0.00 -1.56 0.00 0.00 34.95 29.51 1xn3 s ARG 307 CO 0.05 -0.31 1.61 -2.14 -0.81 0.00 0.00 175.30 173.70 1xn3 s PRO 308 N 2.09 4.19 0.02 5.12 0.02 -1.26 -1.11 135.00 144.06 1xn3 s PRO 308 Ca 0.36 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1xn3 s PRO 308 Cb -0.16 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 1xn3 s PRO 308 CO 0.12 -0.65 -0.03 0.14 -0.33 0.00 0.00 177.00 176.25 1xn3 s VAL 309 N 1.05 0.18 0.47 3.83 -7.23 -0.76 -4.64 120.40 113.31 1xn3 s VAL 309 Ca 0.71 -0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 59.90 1xn3 s VAL 309 Cb -0.46 -0.28 -0.07 0.00 0.56 0.00 0.00 36.38 36.13 1xn3 s VAL 309 CO 0.33 -0.36 1.17 -0.70 -0.31 0.00 0.00 175.10 175.22 1xn3 s GLU 310 N -1.17 3.68 0.21 4.82 2.56 -1.26 -4.12 118.70 123.43 1xn3 s GLU 310 Ca -0.11 1.78 -0.32 0.00 0.00 0.00 0.00 54.97 56.32 1xn3 s GLU 310 Cb -0.08 -2.35 -0.12 0.00 2.00 0.00 0.00 34.13 33.58 1xn3 s GLU 310 CO -0.01 -0.62 1.69 0.34 -0.56 0.00 0.00 175.26 176.11 1xn3 s ASP 311 N -1.39 6.41 0.55 -1.70 -1.08 -1.26 -4.87 116.67 113.33 1xn3 s ASP 311 Ca 0.65 2.84 0.32 0.00 -0.52 0.00 0.00 52.55 55.84 1xn3 s ASP 311 Cb -0.29 -2.60 1.57 0.00 -1.46 0.00 0.00 42.92 40.14 1xn3 s ASP 311 CO 0.34 -0.95 2.08 -0.37 0.52 0.00 0.00 175.17 176.80 1xn3 h VAL 312 N 3.80 0.32 -2.81 1.11 -1.51 -1.98 -3.41 116.25 111.76 1xn3 h VAL 312 Ca -0.43 -0.48 -0.65 0.00 -1.23 0.00 0.00 66.70 63.91 1xn3 h VAL 312 Cb 1.20 1.36 -0.06 0.00 -2.13 0.00 0.00 31.29 31.67 1xn3 h VAL 312 CO 0.94 0.08 -0.50 0.00 -1.23 0.00 0.00 177.57 176.85 1xn3 s ALA 313 N -4.00 3.91 -0.63 5.19 0.00 -1.26 -4.97 121.76 120.00 1xn3 s ALA 313 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1xn3 s ALA 313 Cb 0.12 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1xn3 s ALA 313 CO 0.55 0.72 0.17 0.25 0.00 0.00 0.00 175.76 177.45 1xn3 n THR 314 N 1.12 0.09 -1.78 0.00 -2.24 -1.26 -4.82 114.28 105.39 1xn3 n THR 314 Ca -0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 1xn3 n THR 314 Cb 0.53 -0.30 0.19 0.00 -2.10 0.00 0.00 70.33 68.65 1xn3 n THR 314 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xn3 s SER 315 N -0.11 2.78 -0.00 3.42 0.15 -1.26 -4.97 113.70 113.71 1xn3 s SER 315 Ca 0.00 0.36 0.19 0.00 0.70 0.00 0.00 55.95 57.20 1xn3 s SER 315 Cb 0.00 -0.46 0.55 0.00 -1.71 0.00 0.00 66.02 64.40 1xn3 s SER 315 CO 0.00 -2.95 1.46 0.00 1.20 0.00 0.00 173.24 172.95 1xn3 n GLN 316 N -3.93 2.45 -1.88 5.44 1.13 -1.26 -4.91 117.38 114.42 1xn3 n GLN 316 Ca 0.14 -2.24 -0.35 0.00 -1.94 0.00 0.00 57.00 52.62 1xn3 n GLN 316 Cb 0.59 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.50 1xn3 n GLN 316 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xn3 s ASP 317 N -1.00 5.01 -0.35 1.08 1.11 -1.26 -3.56 116.67 117.70 1xn3 s ASP 317 Ca 0.42 2.32 -0.13 0.00 0.18 0.00 0.00 52.55 55.34 1xn3 s ASP 317 Cb 0.22 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.61 1xn3 s ASP 317 CO 0.28 -1.71 0.23 -1.81 1.18 0.00 0.00 175.17 173.35 1xn3 s ASP 318 N -1.82 5.95 0.19 0.27 -0.00 0.08 -4.72 116.67 116.62 1xn3 s ASP 318 Ca 0.75 -0.58 0.09 0.00 -0.00 0.00 0.00 52.55 52.82 1xn3 s ASP 318 Cb -0.28 -2.11 -0.04 0.00 -0.00 0.00 0.00 42.92 40.48 1xn3 s ASP 318 CO 0.36 -0.28 -0.11 0.00 -0.00 0.00 0.00 175.17 175.14 1xn3 s TYR 320 N -1.79 -0.03 0.13 0.00 1.51 -0.05 -1.83 117.35 115.30 1xn3 s TYR 320 Ca 0.25 -0.34 0.09 0.00 -1.01 0.00 0.00 57.07 56.06 1xn3 s TYR 320 Cb -0.08 0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.84 1xn3 s TYR 320 CO 0.15 -0.64 -0.15 0.15 -1.11 0.00 0.00 175.55 173.95 1xn3 s LYS 321 N -3.83 1.88 -0.32 -0.62 1.02 -0.27 -0.76 119.74 116.83 1xn3 s LYS 321 Ca 0.04 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 54.54 1xn3 s LYS 321 Cb 0.03 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1xn3 s LYS 321 CO -0.11 0.47 1.31 0.12 -0.92 0.00 0.00 175.35 176.22 1xn3 s PHE 322 N -1.31 2.65 -0.47 3.18 5.36 -1.26 -0.39 117.98 125.73 1xn3 s PHE 322 Ca 0.20 0.84 -0.00 0.00 -0.96 0.00 0.00 56.93 57.00 1xn3 s PHE 322 Cb -0.10 -3.99 0.39 0.00 -0.34 0.00 0.00 43.02 38.99 1xn3 s PHE 322 CO 0.12 -1.73 1.94 0.00 -1.46 0.00 0.00 175.22 174.09 1xn3 n ALA 323 N 7.81 5.56 -3.57 11.12 0.00 0.59 -4.39 120.51 137.64 1xn3 n ALA 323 Ca 0.15 -2.56 -0.29 0.00 0.00 0.00 0.00 53.44 50.74 1xn3 n ALA 323 Cb 0.47 -1.53 -0.17 0.00 0.00 0.00 0.00 19.45 18.22 1xn3 n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xn3 s ILE 324 N -3.40 1.57 0.17 0.00 1.01 -1.26 -1.58 121.20 117.71 1xn3 s ILE 324 Ca 0.48 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1xn3 s ILE 324 Cb 0.39 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1xn3 s ILE 324 CO 0.02 0.45 0.19 -0.94 0.00 0.00 0.00 174.94 174.66 1xn3 s SER 325 N 0.84 0.15 0.47 3.58 1.04 -0.74 -4.73 113.70 114.31 1xn3 s SER 325 Ca -0.09 -1.12 -0.16 0.00 0.48 0.00 0.00 55.95 55.06 1xn3 s SER 325 Cb -0.15 0.39 -0.08 0.00 0.10 0.00 0.00 66.02 66.27 1xn3 s SER 325 CO 0.01 -0.85 0.92 0.00 0.98 0.00 0.00 173.24 174.30 1xn3 s GLN 326 N -4.05 3.98 0.03 4.02 -2.07 -1.26 -0.86 119.66 119.46 1xn3 s GLN 326 Ca 0.25 0.88 0.04 0.00 -1.82 0.00 0.00 55.36 54.71 1xn3 s GLN 326 Cb 0.05 -2.21 -0.02 0.00 -1.09 0.00 0.00 33.01 29.74 1xn3 s GLN 326 CO 0.04 -0.15 -0.11 0.45 -1.32 0.00 0.00 175.29 174.20 1xn3 s SER 327 N -2.86 1.30 0.00 12.60 0.15 0.12 -4.69 113.70 120.33 1xn3 s SER 327 Ca 0.58 -0.43 0.12 0.00 0.70 0.00 0.00 55.95 56.92 1xn3 s SER 327 Cb -0.10 -0.06 0.30 0.00 -1.71 0.00 0.00 66.02 64.45 1xn3 s SER 327 CO 0.27 -0.03 1.22 -1.54 1.20 0.00 0.00 173.24 174.36 1xn3 n SER 328 N 1.93 2.87 -1.19 5.45 3.41 -1.26 -2.99 113.62 121.83 1xn3 n SER 328 Ca -0.19 -1.91 0.02 0.00 -0.26 0.00 0.00 58.87 56.54 1xn3 n SER 328 Cb 0.55 -0.21 0.12 0.00 -0.26 0.00 0.00 64.21 64.40 1xn3 n SER 328 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xn3 n THR 329 N 0.67 1.40 0.00 6.66 -2.24 -1.26 -5.06 114.28 114.45 1xn3 n THR 329 Ca 0.12 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.38 1xn3 n THR 329 Cb 0.43 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1xn3 n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xn3 n GLY 330 N -0.48 0.09 3.75 3.38 0.00 -1.19 -4.52 105.19 106.22 1xn3 n GLY 330 Ca 0.16 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1xn3 n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn3 s THR 331 N -1.09 3.95 -0.16 2.61 2.01 0.05 -4.29 115.64 118.72 1xn3 s THR 331 Ca 0.00 1.91 0.00 0.00 0.31 0.00 0.00 61.69 63.91 1xn3 s THR 331 Cb 0.00 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.33 1xn3 s THR 331 CO 0.00 0.43 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.58 1xn3 s VAL 332 N -1.00 1.34 -0.82 3.82 1.01 0.28 -1.44 120.40 123.58 1xn3 s VAL 332 Ca 0.43 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 1xn3 s VAL 332 Cb -0.27 -1.38 0.13 0.00 0.00 0.00 0.00 36.38 34.85 1xn3 s VAL 332 CO 0.34 0.28 1.00 -0.04 0.00 0.00 0.00 175.10 176.68 1xn3 s MET 333 N 1.56 3.44 0.00 2.72 1.00 0.00 -0.76 119.30 127.26 1xn3 s MET 333 Ca 0.02 -1.62 0.00 0.00 0.00 0.00 0.00 55.69 54.09 1xn3 s MET 333 Cb -0.14 -4.65 0.00 0.00 0.00 0.00 0.00 34.83 30.04 1xn3 s MET 333 CO -0.09 -1.69 0.00 0.41 0.00 0.00 0.00 175.02 173.65 1xn3 n GLY 334 N 5.26 -1.13 0.36 -0.03 0.00 -0.64 -1.40 105.19 107.62 1xn3 n GLY 334 Ca 0.13 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.56 1xn3 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn3 h ALA 335 N -2.00 1.55 -0.57 4.61 0.00 0.98 -0.99 119.26 122.84 1xn3 h ALA 335 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xn3 h ALA 335 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1xn3 h ALA 335 CO 0.00 0.31 0.38 -0.24 0.00 0.00 0.00 179.25 179.70 1xn3 h VAL 336 N 0.98 1.05 0.14 0.00 3.04 -1.25 0.16 116.25 120.38 1xn3 h VAL 336 Ca 0.39 -0.22 -0.20 0.00 -1.01 0.00 0.00 66.70 65.66 1xn3 h VAL 336 Cb 0.24 0.36 0.02 0.00 -2.01 0.00 0.00 31.29 29.90 1xn3 h VAL 336 CO -0.15 0.12 -0.90 0.40 -1.01 0.00 0.00 177.57 176.03 1xn3 h ILE 337 N 0.63 1.45 -0.03 3.17 1.08 -1.52 -3.33 117.51 118.97 1xn3 h ILE 337 Ca 0.23 -2.53 0.01 0.00 -0.39 0.00 0.00 64.86 62.18 1xn3 h ILE 337 Cb 0.14 3.14 -0.00 0.00 -3.07 0.00 0.00 36.82 37.03 1xn3 h ILE 337 CO -0.06 0.72 0.02 0.24 -0.69 0.00 0.00 178.15 178.37 1xn3 h MET 338 N -0.36 0.00 0.00 2.37 2.86 -0.45 -1.36 114.93 118.00 1xn3 h MET 338 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1xn3 h MET 338 Cb 1.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.33 1xn3 h MET 338 CO 0.14 0.00 0.00 0.93 1.06 0.00 0.00 176.91 179.04 1xn3 h GLU 339 N 0.00 0.00 0.00 1.72 5.08 -0.82 -1.41 114.58 119.15 1xn3 h GLU 339 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xn3 h GLU 339 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xn3 h GLU 339 CO -0.00 0.00 -0.65 0.78 -1.00 0.00 0.00 179.01 178.14 1xn3 h GLY 340 N 0.59 0.00 -2.88 -3.84 0.00 -1.42 -3.38 103.07 92.14 1xn3 h GLY 340 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1xn3 h GLY 340 CO 0.00 0.00 -0.69 -1.36 0.00 0.00 0.00 176.54 174.49 1xn3 s PHE 341 N -3.20 1.07 -0.21 5.60 0.40 -0.53 -1.73 117.98 119.38 1xn3 s PHE 341 Ca 0.05 -0.90 -0.17 0.00 -0.60 0.00 0.00 56.93 55.30 1xn3 s PHE 341 Cb 0.12 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 1xn3 s PHE 341 CO 0.73 -0.11 0.47 -0.47 0.70 0.00 0.00 175.22 176.54 1xn3 s TYR 342 N -3.56 3.36 -0.17 0.36 5.04 -0.01 -4.49 117.35 117.87 1xn3 s TYR 342 Ca 0.16 0.69 -0.00 0.00 -2.44 0.00 0.00 57.07 55.48 1xn3 s TYR 342 Cb 0.05 -2.62 0.00 0.00 0.35 0.00 0.00 41.96 39.73 1xn3 s TYR 342 CO -0.01 -0.10 -0.14 0.08 -1.34 0.00 0.00 175.55 174.05 1xn3 s VAL 343 N 1.62 2.72 -0.32 3.14 1.01 -0.13 -2.31 120.40 126.13 1xn3 s VAL 343 Ca 0.22 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1xn3 s VAL 343 Cb -0.15 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1xn3 s VAL 343 CO 0.09 0.50 0.15 -0.69 0.00 0.00 0.00 175.10 175.16 1xn3 s VAL 344 N 1.01 4.55 -1.04 2.92 1.01 0.52 -0.19 120.40 129.18 1xn3 s VAL 344 Ca -0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1xn3 s VAL 344 Cb -0.15 -3.35 0.18 0.00 0.00 0.00 0.00 36.38 33.06 1xn3 s VAL 344 CO -0.03 0.02 1.17 -0.36 0.00 0.00 0.00 175.10 175.91 1xn3 s PHE 345 N 1.60 3.56 -1.17 5.22 0.08 0.89 -0.42 117.98 127.74 1xn3 s PHE 345 Ca 0.04 -1.98 -0.16 0.00 0.12 0.00 0.00 56.93 54.95 1xn3 s PHE 345 Cb -0.17 -4.14 0.13 0.00 -0.57 0.00 0.00 43.02 38.26 1xn3 s PHE 345 CO 0.06 -1.28 1.47 0.34 -0.10 0.00 0.00 175.22 175.71 1xn3 s ASP 346 N 2.71 6.89 0.31 1.36 -1.08 -0.41 -2.30 116.67 124.16 1xn3 s ASP 346 Ca 0.33 -2.57 0.06 0.00 -0.52 0.00 0.00 52.55 49.85 1xn3 s ASP 346 Cb -0.06 -2.46 0.53 0.00 -1.46 0.00 0.00 42.92 39.47 1xn3 s ASP 346 CO -0.06 -0.98 1.77 0.03 0.52 0.00 0.00 175.17 176.46 1xn3 h ARG 347 N 7.75 0.34 -0.71 4.34 3.08 -1.74 -0.58 114.38 126.86 1xn3 h ARG 347 Ca 0.32 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1xn3 h ARG 347 Cb 0.91 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1xn3 h ARG 347 CO 1.30 0.58 0.47 0.00 -1.07 0.00 0.00 179.97 181.25 1xn3 h ALA 348 N 1.43 0.91 -0.56 0.04 0.00 -1.62 -2.23 119.26 117.23 1xn3 h ALA 348 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xn3 h ALA 348 Cb 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xn3 h ALA 348 CO 0.05 0.33 0.00 0.54 0.00 0.00 0.00 179.25 180.17 1xn3 n ARG 349 N -4.58 3.76 -3.94 0.00 1.74 -1.16 -4.97 116.66 107.51 1xn3 n ARG 349 Ca 0.06 -2.86 -0.29 0.00 -0.77 0.00 0.00 57.85 53.99 1xn3 n ARG 349 Cb 0.02 -1.90 -0.01 0.00 -1.02 0.00 0.00 32.46 29.55 1xn3 n ARG 349 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1xn3 n LYS 350 N 0.76 -2.36 -3.70 5.56 4.81 -0.46 -4.93 118.16 117.85 1xn3 n LYS 350 Ca 0.24 0.36 -0.11 0.00 -0.87 0.00 0.00 58.31 57.93 1xn3 n LYS 350 Cb 0.91 -4.17 -0.06 0.00 0.02 0.00 0.00 35.03 31.72 1xn3 n LYS 350 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1xn3 s ARG 351 N -6.59 0.96 -0.12 1.64 1.70 -0.35 -1.60 118.95 114.59 1xn3 s ARG 351 Ca 0.15 -0.67 0.03 0.00 -0.47 0.00 0.00 55.73 54.76 1xn3 s ARG 351 Cb -0.06 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1xn3 s ARG 351 CO 0.90 -0.35 -0.23 0.42 -1.08 0.00 0.00 175.30 174.97 1xn3 s ILE 352 N -3.42 2.11 -0.03 4.99 1.01 0.01 -1.29 121.20 124.58 1xn3 s ILE 352 Ca 0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 1xn3 s ILE 352 Cb 0.02 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1xn3 s ILE 352 CO -0.09 0.55 0.08 -0.83 0.00 0.00 0.00 174.94 174.66 1xn3 s GLY 353 N 0.53 2.02 -0.06 6.18 0.00 0.44 -0.97 107.32 115.47 1xn3 s GLY 353 Ca -0.14 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.78 1xn3 s GLY 353 CO 0.04 -0.67 -0.13 -1.36 0.00 0.00 0.00 173.10 170.98 1xn3 s PHE 354 N -1.14 1.50 0.04 1.90 0.40 0.69 -0.35 117.98 121.01 1xn3 s PHE 354 Ca 0.21 -0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1xn3 s PHE 354 Cb -0.12 -1.07 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 1xn3 s PHE 354 CO 0.11 -0.23 -0.02 0.00 0.70 0.00 0.00 175.22 175.78 1xn3 s ALA 355 N 0.44 0.31 0.21 5.36 0.00 -0.98 -0.77 121.76 126.34 1xn3 s ALA 355 Ca -0.11 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 50.63 1xn3 s ALA 355 Cb -0.14 0.22 -0.10 0.00 0.00 0.00 0.00 23.12 23.10 1xn3 s ALA 355 CO 0.03 -0.28 1.51 0.08 0.00 0.00 0.00 175.76 177.10 1xn3 s VAL 356 N -2.82 2.62 0.20 0.00 1.01 -1.24 -0.83 120.40 119.34 1xn3 s VAL 356 Ca -0.03 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1xn3 s VAL 356 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 1xn3 s VAL 356 CO -0.06 0.06 1.04 -0.55 0.00 0.00 0.00 175.10 175.59 1xn3 s SER 357 N 0.76 7.39 0.00 3.32 0.15 -0.70 -1.80 113.70 122.83 1xn3 s SER 357 Ca 0.65 2.04 0.12 0.00 0.70 0.00 0.00 55.95 59.45 1xn3 s SER 357 Cb -0.43 -2.61 0.53 0.00 -1.71 0.00 0.00 66.02 61.80 1xn3 s SER 357 CO 0.37 -0.09 1.34 0.00 1.20 0.00 0.00 173.24 176.06 1xn3 n ALA 358 N 2.03 1.59 -1.25 5.45 0.00 -0.20 -2.35 120.51 125.78 1xn3 n ALA 358 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1xn3 n ALA 358 Cb 0.47 -1.19 0.14 0.00 0.00 0.00 0.00 19.45 18.86 1xn3 n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xn3 s HIS 360 N -2.65 3.50 0.08 0.00 -0.00 -0.99 -4.58 115.29 110.65 1xn3 s HIS 360 Ca 0.30 1.72 -0.30 0.00 -0.00 0.00 0.00 55.06 56.78 1xn3 s HIS 360 Cb 0.27 -3.07 -0.05 0.00 -0.00 0.00 0.00 32.58 29.73 1xn3 s HIS 360 CO 0.01 -0.25 1.02 0.08 -0.00 0.00 0.00 174.74 175.59 1xn3 s VAL 361 N -1.55 4.48 0.00 -5.38 1.01 -1.26 -5.02 120.40 112.68 1xn3 s VAL 361 Ca 0.52 1.93 0.00 0.00 0.00 0.00 0.00 61.98 64.43 1xn3 s VAL 361 Cb -0.22 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1xn3 s VAL 361 CO 0.28 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.62 1xn3 n HIS 362 N 3.25 -0.36 -4.20 5.22 -0.00 -1.26 -4.70 115.22 113.17 1xn3 n HIS 362 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.65 1xn3 n HIS 362 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.45 1xn3 n HIS 362 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1xn3 n ASP 363 N -0.96 0.61 0.17 4.39 5.68 -1.17 -5.05 116.55 120.22 1xn3 n ASP 363 Ca 0.00 -2.03 0.13 0.00 -0.50 0.00 0.00 54.79 52.39 1xn3 n ASP 363 Cb 0.00 0.59 0.54 0.00 -1.14 0.00 0.00 41.12 41.10 1xn3 n ASP 363 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xn3 h GLU 364 N 0.00 0.00 0.00 0.11 4.81 -2.05 -3.29 114.58 114.15 1xn3 h GLU 364 Ca -0.14 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.91 1xn3 h GLU 364 Cb 0.57 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1xn3 h GLU 364 CO 0.21 0.00 -2.12 1.19 -0.73 0.00 0.00 179.01 177.56 1xn3 n PHE 365 N -2.47 0.00 -3.94 0.92 3.01 -1.26 -5.00 117.46 108.71 1xn3 n PHE 365 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.38 1xn3 n PHE 365 Cb 0.26 -0.71 -0.12 0.00 -0.01 0.00 0.00 39.48 38.91 1xn3 n PHE 365 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1xn3 s ARG 366 N -2.91 0.24 0.18 -1.08 0.52 -1.24 -5.16 118.95 109.49 1xn3 s ARG 366 Ca -0.08 -0.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.73 1xn3 s ARG 366 Cb 0.09 0.09 -0.05 0.00 0.52 0.00 0.00 34.95 35.60 1xn3 s ARG 366 CO 0.81 -0.04 -0.04 0.95 0.02 0.00 0.00 175.30 177.00 1xn3 s THR 367 N -1.05 0.97 0.92 0.02 -4.23 -1.26 -3.06 115.64 107.95 1xn3 s THR 367 Ca -0.12 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.25 1xn3 s THR 367 Cb -0.07 -2.08 0.14 0.00 1.34 0.00 0.00 72.50 71.84 1xn3 s THR 367 CO -0.01 -0.54 1.09 0.00 -0.54 0.00 0.00 174.62 174.62 1xn3 s ALA 368 N -3.46 1.37 0.03 3.99 0.00 -1.26 -4.92 121.76 117.50 1xn3 s ALA 368 Ca 0.22 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 1xn3 s ALA 368 Cb 0.05 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1xn3 s ALA 368 CO 0.04 -2.51 0.36 0.00 0.00 0.00 0.00 175.76 173.65 1xn3 s ALA 369 N -2.89 -0.88 -0.19 0.00 0.00 -0.67 -4.96 121.76 112.17 1xn3 s ALA 369 Ca 0.64 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1xn3 s ALA 369 Cb -0.19 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.25 1xn3 s ALA 369 CO 0.58 -0.39 0.01 0.08 0.00 0.00 0.00 175.76 176.03 1xn3 s VAL 370 N -2.19 0.77 0.06 0.00 1.01 -1.26 -0.08 120.40 118.71 1xn3 s VAL 370 Ca -0.07 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1xn3 s VAL 370 Cb -0.02 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1xn3 s VAL 370 CO -0.01 -0.12 -0.13 -1.61 0.00 0.00 0.00 175.10 173.23 1xn3 s GLU 371 N 1.75 0.79 0.13 2.72 2.02 -0.54 -4.83 118.70 120.74 1xn3 s GLU 371 Ca -0.01 -0.90 -0.24 0.00 0.02 0.00 0.00 54.97 53.84 1xn3 s GLU 371 Cb -0.17 -0.76 0.08 0.00 0.10 0.00 0.00 34.13 33.38 1xn3 s GLU 371 CO -0.07 0.17 1.08 0.20 0.02 0.00 0.00 175.26 176.66 1xn3 s GLY 372 N -1.63 -0.05 0.38 -1.39 0.00 -1.26 -0.56 107.32 102.81 1xn3 s GLY 372 Ca -0.03 -0.08 0.07 0.00 0.00 0.00 0.00 44.72 44.69 1xn3 s GLY 372 CO 0.02 2.03 0.52 2.56 0.00 0.00 0.00 173.10 178.23 1xn3 s PRO 373 N -2.41 2.96 -0.04 2.90 0.04 -1.26 -5.08 135.00 132.10 1xn3 s PRO 373 Ca 0.20 -1.14 0.03 0.00 0.04 0.00 0.00 61.00 60.14 1xn3 s PRO 373 Cb -0.01 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1xn3 s PRO 373 CO 0.03 -0.11 -0.13 -0.06 0.04 0.00 0.00 177.00 176.77 1xn3 s PHE 374 N -2.27 1.38 -0.15 0.56 0.40 0.85 -4.94 117.98 113.82 1xn3 s PHE 374 Ca 0.50 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 56.15 1xn3 s PHE 374 Cb -0.10 -0.95 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 1xn3 s PHE 374 CO 0.32 -0.15 1.33 0.08 0.70 0.00 0.00 175.22 177.50 1xn3 s VAL 375 N 0.15 4.17 -0.01 -0.44 1.01 -1.26 -1.01 120.40 123.01 1xn3 s VAL 375 Ca -0.04 1.41 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1xn3 s VAL 375 Cb -0.11 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1xn3 s VAL 375 CO 0.02 -0.12 -0.02 -0.89 0.00 0.00 0.00 175.10 174.08 1xn3 s THR 376 N 3.56 0.20 0.30 3.92 2.01 -0.18 -4.94 115.64 120.51 1xn3 s THR 376 Ca 0.58 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.59 1xn3 s THR 376 Cb -0.24 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1xn3 s THR 376 CO 0.17 0.08 0.28 -0.76 -0.69 0.00 0.00 174.62 173.71 1xn3 s LEU 377 N 0.23 3.75 -1.74 4.42 1.43 -1.26 -4.08 118.68 121.44 1xn3 s LEU 377 Ca -0.02 -0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 1xn3 s LEU 377 Cb -0.05 -2.35 0.21 0.00 0.03 0.00 0.00 46.19 44.03 1xn3 s LEU 377 CO -0.01 -0.24 0.53 0.47 0.23 0.00 0.00 176.35 177.33 1xn3 n ASP 378 N -1.34 -1.55 -0.07 2.29 10.43 -1.26 -4.81 116.55 120.25 1xn3 n ASP 378 Ca -0.04 -1.16 0.02 0.00 2.57 0.00 0.00 54.79 56.18 1xn3 n ASP 378 Cb 0.59 -1.48 0.36 0.00 1.84 0.00 0.00 41.12 42.42 1xn3 n ASP 378 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1xn3 h MET 379 N -0.85 0.68 -0.74 -1.24 2.86 -2.00 -1.17 114.93 112.46 1xn3 h MET 379 Ca -0.56 -0.05 0.21 0.00 -2.06 0.00 0.00 59.70 57.24 1xn3 h MET 379 Cb 1.29 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 1xn3 h MET 379 CO 0.83 0.47 0.53 1.49 1.06 0.00 0.00 176.91 181.29 1xn3 h GLU 380 N 0.69 0.00 0.00 1.72 4.81 -1.99 0.29 114.58 120.10 1xn3 h GLU 380 Ca 0.18 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1xn3 h GLU 380 Cb -0.04 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1xn3 h GLU 380 CO -0.04 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.00 1xn3 n ASP 381 N -4.32 0.00 0.19 1.04 8.00 -0.44 -2.45 116.55 118.58 1xn3 n ASP 381 Ca 0.15 0.06 0.13 0.00 0.71 0.00 0.00 54.79 55.84 1xn3 n ASP 381 Cb 0.81 -0.32 0.29 0.00 -0.02 0.00 0.00 41.12 41.88 1xn3 n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xn3 s GLY 383 N -4.02 2.96 0.17 0.00 0.00 -1.02 -3.85 107.32 101.56 1xn3 s GLY 383 Ca 0.07 0.79 -0.16 0.00 0.00 0.00 0.00 44.72 45.43 1xn3 s GLY 383 CO 0.63 1.53 0.60 -0.47 0.00 0.00 0.00 173.10 175.38 1xn3 s TYR 384 N -0.63 3.62 0.00 1.90 5.04 -1.26 -4.98 117.35 121.03 1xn3 s TYR 384 Ca 0.46 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1xn3 s TYR 384 Cb -0.29 -2.44 0.00 0.00 0.35 0.00 0.00 41.96 39.58 1xn3 s TYR 384 CO 0.36 0.40 0.40 0.09 -1.34 0.00 0.00 175.55 175.47