#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nx5 n ASN 2 N 0.00 0.00 -4.72 1.08 5.15 -1.26 -3.20 115.26 112.31 2nx5 n ASN 2 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 2nx5 n ASN 2 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 2nx5 n ASN 2 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2nx5 s ILE 3 N -0.09 4.74 -0.08 -1.44 1.09 -1.26 -3.45 121.20 120.70 2nx5 s ILE 3 Ca 0.00 2.01 -0.01 0.00 -1.10 0.00 0.00 60.65 61.56 2nx5 s ILE 3 Cb 0.00 -4.30 0.03 0.00 -1.06 0.00 0.00 42.46 37.13 2nx5 s ILE 3 CO 0.00 0.23 -0.02 -0.62 -0.10 0.00 0.00 174.94 174.43 2nx5 s ASP 4 N 0.58 1.64 0.03 3.58 3.68 -0.01 -4.56 116.67 121.60 2nx5 s ASP 4 Ca 0.49 -0.14 -0.07 0.00 2.13 0.00 0.00 52.55 54.96 2nx5 s ASP 4 Cb -0.22 -0.53 -0.00 0.00 -1.45 0.00 0.00 42.92 40.72 2nx5 s ASP 4 CO 0.28 -0.16 0.14 0.00 0.13 0.00 0.00 175.17 175.56 2nx5 s GLN 5 N 1.78 0.59 0.62 4.34 -2.07 -1.26 -0.91 119.66 122.75 2nx5 s GLN 5 Ca 0.03 -0.61 -0.19 0.00 -1.82 0.00 0.00 55.36 52.78 2nx5 s GLN 5 Cb -0.13 0.24 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 2nx5 s GLN 5 CO -0.05 -0.15 1.28 -2.14 -1.32 0.00 0.00 175.29 172.90 2nx5 s PRO 7 N -2.23 2.75 0.00 9.60 0.02 -1.26 -4.89 135.00 139.00 2nx5 s PRO 7 Ca -0.08 2.02 -0.25 0.00 0.02 0.00 0.00 61.00 62.71 2nx5 s PRO 7 Cb -0.03 -1.92 -0.17 0.00 0.02 0.00 0.00 34.50 32.40 2nx5 s PRO 7 CO -0.02 -1.43 1.24 1.15 -0.33 0.00 0.00 177.00 177.60 2nx5 h THR 8 N 0.76 0.88 -3.43 0.99 2.02 -1.95 -3.36 112.91 108.83 2nx5 h THR 8 Ca -0.51 -0.74 -0.22 0.00 0.77 0.00 0.00 66.41 65.71 2nx5 h THR 8 Cb 1.32 1.30 -0.29 0.00 -1.74 0.00 0.00 68.15 68.74 2nx5 h THR 8 CO 0.54 0.16 -0.61 -0.70 0.37 0.00 0.00 175.52 175.28 2nx5 s GLU 9 N -4.54 0.09 0.24 6.66 2.12 -1.26 -0.53 118.70 121.49 2nx5 s GLU 9 Ca -0.14 0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.48 2nx5 s GLU 9 Cb 0.02 -0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 2nx5 s GLU 9 CO 0.57 -0.07 -0.13 -1.64 -0.54 0.00 0.00 175.26 173.45 2nx5 s MET 10 N 0.47 1.48 -0.08 4.30 -1.94 0.61 -4.96 119.30 119.17 2nx5 s MET 10 Ca -0.03 -1.69 -0.03 0.00 -1.71 0.00 0.00 55.69 52.22 2nx5 s MET 10 Cb -0.05 -1.29 0.05 0.00 2.01 0.00 0.00 34.83 35.55 2nx5 s MET 10 CO -0.02 0.18 0.17 0.99 -0.01 0.00 0.00 175.02 176.33 2nx5 s THR 11 N -2.87 -0.21 0.26 2.05 2.01 -1.26 -1.66 115.64 113.96 2nx5 s THR 11 Ca 0.26 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 2nx5 s THR 11 Cb -0.00 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 2nx5 s THR 11 CO 0.10 0.12 0.30 0.00 -0.69 0.00 0.00 174.62 174.45 2nx5 s ALA 12 N 1.96 0.84 0.20 7.40 0.00 -0.79 -5.02 121.76 126.36 2nx5 s ALA 12 Ca -0.01 -1.52 0.07 0.00 0.00 0.00 0.00 51.96 50.50 2nx5 s ALA 12 Cb -0.12 1.28 -0.04 0.00 0.00 0.00 0.00 23.12 24.24 2nx5 s ALA 12 CO -0.06 -0.70 0.08 0.99 0.00 0.00 0.00 175.76 176.07 2nx5 s THR 13 N -3.82 4.08 0.32 0.00 2.01 -1.26 0.13 115.64 117.10 2nx5 s THR 13 Ca 0.34 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 2nx5 s THR 13 Cb 0.03 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 69.32 2nx5 s THR 13 CO 0.15 -0.19 1.55 -1.83 -0.69 0.00 0.00 174.62 173.61 2nx5 s GLU 14 N -3.26 4.12 0.00 4.92 -1.05 -0.47 -2.49 118.70 120.47 2nx5 s GLU 14 Ca 0.30 2.57 0.00 0.00 -0.15 0.00 0.00 54.97 57.69 2nx5 s GLU 14 Cb -0.09 -3.01 0.00 0.00 -0.44 0.00 0.00 34.13 30.59 2nx5 s GLU 14 CO 0.22 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.25 2nx5 n GLY 15 N 1.55 0.78 0.00 -3.83 0.00 0.23 -4.88 105.19 99.05 2nx5 n GLY 15 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2nx5 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nx5 n ALA 16 N -1.52 0.00 -3.75 4.61 0.00 -1.04 -4.30 120.51 114.50 2nx5 n ALA 16 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2nx5 n ALA 16 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2nx5 n ALA 16 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2nx5 s ILE 17 N -0.07 0.33 -0.06 0.00 1.01 -1.26 -2.02 121.20 119.12 2nx5 s ILE 17 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2nx5 s ILE 17 Cb 0.00 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 2nx5 s ILE 17 CO 0.00 0.18 -0.13 0.54 0.00 0.00 0.00 174.94 175.53 2nx5 s VAL 18 N 1.99 3.17 -0.22 2.92 0.11 -0.58 -4.99 120.40 122.79 2nx5 s VAL 18 Ca 0.04 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.39 2nx5 s VAL 18 Cb -0.13 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 2nx5 s VAL 18 CO -0.05 0.59 -0.08 -1.58 -3.33 0.00 0.00 175.10 170.64 2nx5 s GLN 19 N -0.63 3.22 -0.41 1.54 0.74 -1.26 -1.29 119.66 121.56 2nx5 s GLN 19 Ca 0.09 -0.72 -0.13 0.00 0.05 0.00 0.00 55.36 54.65 2nx5 s GLN 19 Cb -0.11 -2.92 0.04 0.00 1.10 0.00 0.00 33.01 31.12 2nx5 s GLN 19 CO 0.01 -0.23 0.29 0.42 -0.55 0.00 0.00 175.29 175.23 2nx5 s ILE 20 N 1.42 4.94 0.34 -2.34 1.01 -0.41 -4.96 121.20 121.20 2nx5 s ILE 20 Ca 0.05 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.55 2nx5 s ILE 20 Cb -0.14 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 2nx5 s ILE 20 CO -0.05 -0.36 1.05 0.20 0.00 0.00 0.00 174.94 175.78 2nx5 s ASN 21 N 1.87 7.03 -0.10 3.58 0.02 -1.26 -1.64 114.94 124.43 2nx5 s ASN 21 Ca 0.04 2.10 -0.03 0.00 -1.02 0.00 0.00 52.86 53.94 2nx5 s ASN 21 Cb -0.21 -2.60 0.05 0.00 0.02 0.00 0.00 41.25 38.51 2nx5 s ASN 21 CO 0.07 -0.30 0.13 0.00 0.02 0.00 0.00 177.10 177.03 2nx5 s THR 23 N 2.25 3.45 -0.03 0.00 -4.23 -0.09 -0.89 115.64 116.11 2nx5 s THR 23 Ca 0.04 -0.57 0.05 0.00 -1.18 0.00 0.00 61.69 60.03 2nx5 s THR 23 Cb -0.13 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 2nx5 s THR 23 CO -0.06 0.59 -0.17 -0.72 -0.54 0.00 0.00 174.62 173.71 2nx5 s TYR 24 N -0.64 1.62 -0.95 3.99 -0.85 -0.40 -0.83 117.35 119.29 2nx5 s TYR 24 Ca 0.10 -0.39 -0.16 0.00 -0.52 0.00 0.00 57.07 56.10 2nx5 s TYR 24 Cb -0.11 -1.07 0.18 0.00 0.38 0.00 0.00 41.96 41.33 2nx5 s TYR 24 CO 0.01 -0.10 1.06 -1.14 -1.52 0.00 0.00 175.55 173.86 2nx5 s GLN 25 N -0.15 3.73 -0.16 -3.49 0.74 -1.19 -4.53 119.66 114.60 2nx5 s GLN 25 Ca 0.01 -2.23 -0.03 0.00 0.05 0.00 0.00 55.36 53.16 2nx5 s GLN 25 Cb -0.09 -4.75 0.05 0.00 1.10 0.00 0.00 33.01 29.32 2nx5 s GLN 25 CO 0.01 -1.57 0.04 0.99 -0.55 0.00 0.00 175.29 174.20 2nx5 s THR 26 N 1.38 0.38 0.31 -0.34 2.01 -1.26 -4.60 115.64 113.51 2nx5 s THR 26 Ca 0.29 -0.31 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2nx5 s THR 26 Cb -0.07 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 2nx5 s THR 26 CO -0.08 -0.09 0.60 -0.94 -0.69 0.00 0.00 174.62 173.42 2nx5 s SER 27 N 1.94 6.48 -0.02 3.53 1.04 -1.26 -4.33 113.70 121.07 2nx5 s SER 27 Ca 0.01 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2nx5 s SER 27 Cb -0.16 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2nx5 s SER 27 CO -0.07 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2nx5 n GLY 28 N -0.94 0.45 3.71 7.32 0.00 -1.26 -4.46 105.19 110.01 2nx5 n GLY 28 Ca -0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2nx5 n GLY 28 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nx5 s PHE 29 N -2.00 2.97 -0.25 1.61 5.36 -1.26 -0.19 117.98 124.23 2nx5 s PHE 29 Ca 0.00 0.61 0.22 0.00 -0.96 0.00 0.00 56.93 56.80 2nx5 s PHE 29 Cb 0.00 -3.91 0.50 0.00 -0.34 0.00 0.00 43.02 39.28 2nx5 s PHE 29 CO 0.00 -3.38 1.12 -1.71 -1.46 0.00 0.00 175.22 169.79 2nx5 n ASN 30 N 4.27 1.78 0.00 6.13 4.05 0.42 -4.95 115.26 126.95 2nx5 n ASN 30 Ca 0.14 -2.15 0.00 0.00 0.45 0.00 0.00 54.58 53.02 2nx5 n ASN 30 Cb 0.39 -0.46 0.00 0.00 1.23 0.00 0.00 39.78 40.94 2nx5 n ASN 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2nx5 n GLY 31 N -0.54 3.69 3.19 8.20 0.00 -1.25 -4.77 105.19 113.71 2nx5 n GLY 31 Ca 0.10 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 2nx5 n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nx5 s LEU 32 N 0.00 2.00 0.03 0.99 0.20 0.27 -1.85 118.68 120.32 2nx5 s LEU 32 Ca 0.00 -0.49 0.04 0.00 0.69 0.00 0.00 54.13 54.37 2nx5 s LEU 32 Cb 0.00 -1.28 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 2nx5 s LEU 32 CO 0.00 0.15 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.77 2nx5 s PHE 33 N 0.28 2.82 -0.07 5.38 0.08 0.15 0.19 117.98 126.80 2nx5 s PHE 33 Ca -0.14 -0.09 0.05 0.00 0.12 0.00 0.00 56.93 56.87 2nx5 s PHE 33 Cb -0.16 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2nx5 s PHE 33 CO 0.07 0.37 -0.21 -1.58 -0.10 0.00 0.00 175.22 173.76 2nx5 s TRP 34 N -1.04 2.54 -0.00 0.36 0.52 -0.64 -0.48 118.94 120.21 2nx5 s TRP 34 Ca 0.18 -0.61 0.05 0.00 0.02 0.00 0.00 56.10 55.74 2nx5 s TRP 34 Cb -0.11 -1.64 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 2nx5 s TRP 34 CO 0.09 -0.15 -0.16 0.71 0.02 0.00 0.00 176.95 177.47 2nx5 s TYR 35 N -0.18 1.40 -0.25 -1.98 2.02 -0.31 -1.53 117.35 116.51 2nx5 s TYR 35 Ca -0.02 -0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.25 2nx5 s TYR 35 Cb -0.14 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 2nx5 s TYR 35 CO 0.03 -0.01 0.35 -1.14 -1.57 0.00 0.00 175.55 173.22 2nx5 s GLN 36 N -0.50 4.05 -0.21 -0.62 0.74 -0.33 -0.19 119.66 122.60 2nx5 s GLN 36 Ca 0.06 0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.51 2nx5 s GLN 36 Cb -0.06 -3.62 0.04 0.00 1.10 0.00 0.00 33.01 30.47 2nx5 s GLN 36 CO -0.00 -0.19 -0.14 -1.14 -0.55 0.00 0.00 175.29 173.27 2nx5 s GLN 37 N 1.80 2.45 0.37 1.67 0.74 -0.00 -0.54 119.66 126.14 2nx5 s GLN 37 Ca 0.15 -0.99 -0.24 0.00 0.05 0.00 0.00 55.36 54.33 2nx5 s GLN 37 Cb -0.15 -2.61 -0.10 0.00 1.10 0.00 0.00 33.01 31.25 2nx5 s GLN 37 CO 0.09 -0.39 0.97 -1.01 -0.55 0.00 0.00 175.29 174.40 2nx5 s HIS 38 N 1.27 3.48 0.21 1.67 3.76 -1.26 -0.18 115.29 124.24 2nx5 s HIS 38 Ca -0.01 1.70 -0.32 0.00 -0.15 0.00 0.00 55.06 56.28 2nx5 s HIS 38 Cb -0.16 -2.95 -0.12 0.00 1.11 0.00 0.00 32.58 30.46 2nx5 s HIS 38 CO -0.09 -0.08 1.69 0.00 -0.85 0.00 0.00 174.74 175.41 2nx5 s ALA 39 N -1.78 3.90 -0.02 -1.40 0.00 -1.26 -1.27 121.76 119.93 2nx5 s ALA 39 Ca 0.55 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.07 2nx5 s ALA 39 Cb -0.17 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2nx5 s ALA 39 CO 0.22 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2nx5 n GLY 40 N 3.81 0.46 3.22 0.00 0.00 -1.26 -5.02 105.19 106.40 2nx5 n GLY 40 Ca 0.15 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2nx5 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nx5 s GLU 41 N -0.40 1.07 0.56 1.61 2.02 -0.40 -5.16 118.70 118.01 2nx5 s GLU 41 Ca 0.00 -1.52 -0.18 0.00 0.02 0.00 0.00 54.97 53.29 2nx5 s GLU 41 Cb 0.00 -0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.05 2nx5 s GLU 41 CO 0.00 -0.17 1.09 0.00 0.02 0.00 0.00 175.26 176.19 2nx5 s ALA 42 N -3.76 2.72 0.26 5.21 0.00 -1.26 -4.49 121.76 120.42 2nx5 s ALA 42 Ca 0.24 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2nx5 s ALA 42 Cb 0.07 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 2nx5 s ALA 42 CO 0.04 -0.74 1.10 -2.14 0.00 0.00 0.00 175.76 174.02 2nx5 s PRO 43 N -3.57 4.64 0.16 0.00 0.02 -1.26 -4.40 135.00 130.58 2nx5 s PRO 43 Ca 0.68 1.78 0.09 0.00 0.02 0.00 0.00 61.00 63.57 2nx5 s PRO 43 Cb -0.20 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 2nx5 s PRO 43 CO 0.29 0.19 -0.13 0.95 -0.33 0.00 0.00 177.00 177.98 2nx5 s THR 44 N -0.95 3.06 0.22 0.99 -4.23 0.30 -4.93 115.64 110.10 2nx5 s THR 44 Ca 0.46 -1.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.05 2nx5 s THR 44 Cb -0.31 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 70.96 2nx5 s THR 44 CO 0.39 -0.05 1.17 0.12 -0.54 0.00 0.00 174.62 175.71 2nx5 s PHE 45 N -1.54 3.46 -0.02 3.99 5.36 -1.26 -1.18 117.98 126.79 2nx5 s PHE 45 Ca 0.23 1.52 -0.01 0.00 -0.96 0.00 0.00 56.93 57.71 2nx5 s PHE 45 Cb -0.09 -3.39 -0.01 0.00 -0.34 0.00 0.00 43.02 39.19 2nx5 s PHE 45 CO 0.13 -0.99 -0.02 1.28 -1.46 0.00 0.00 175.22 174.16 2nx5 n LEU 46 N 2.02 1.23 -3.57 6.12 4.77 -0.58 -4.85 117.00 122.15 2nx5 n LEU 46 Ca 0.02 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 2nx5 n LEU 46 Cb 0.45 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2nx5 n LEU 46 CO 0.55 0.23 0.52 -0.94 -1.33 0.00 0.00 177.39 176.43 2nx5 s SER 47 N -4.81 -0.61 -0.17 -1.43 1.04 -1.20 -4.99 113.70 101.54 2nx5 s SER 47 Ca -0.03 0.84 -0.02 0.00 0.48 0.00 0.00 55.95 57.22 2nx5 s SER 47 Cb 0.01 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 2nx5 s SER 47 CO 0.04 -0.44 -0.10 -0.47 0.98 0.00 0.00 173.24 173.25 2nx5 s TYR 48 N -0.70 2.87 -0.09 5.02 5.04 -1.26 -1.62 117.35 126.62 2nx5 s TYR 48 Ca -0.06 -0.84 0.01 0.00 -2.44 0.00 0.00 57.07 53.75 2nx5 s TYR 48 Cb -0.02 -1.95 0.02 0.00 0.35 0.00 0.00 41.96 40.36 2nx5 s TYR 48 CO 0.05 -0.39 -0.11 -0.80 -1.34 0.00 0.00 175.55 172.96 2nx5 s ASN 49 N 0.86 2.00 0.00 4.32 0.01 0.13 -4.95 114.94 117.31 2nx5 s ASN 49 Ca -0.03 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 2nx5 s ASN 49 Cb -0.15 -0.86 0.00 0.00 0.41 0.00 0.00 41.25 40.65 2nx5 s ASN 49 CO 0.00 -0.03 0.00 0.55 -1.51 0.00 0.00 177.10 176.11 2nx5 n VAL 50 N 4.31 0.00 -3.94 1.60 3.14 -1.26 0.95 118.33 123.13 2nx5 n VAL 50 Ca -0.19 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.89 2nx5 n VAL 50 Cb 0.51 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.25 2nx5 n VAL 50 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2nx5 s LEU 51 N -0.33 4.27 0.31 6.55 1.43 -1.26 -4.91 118.68 124.74 2nx5 s LEU 51 Ca 0.00 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 2nx5 s LEU 51 Cb 0.00 -2.88 -0.10 0.00 0.03 0.00 0.00 46.19 43.24 2nx5 s LEU 51 CO 0.00 0.15 1.26 -1.81 0.23 0.00 0.00 176.35 176.18 2nx5 s ASP 52 N -2.60 6.90 0.00 2.29 1.01 -1.26 -4.60 116.67 118.40 2nx5 s ASP 52 Ca 0.34 2.57 0.00 0.00 0.71 0.00 0.00 52.55 56.17 2nx5 s ASP 52 Cb -0.13 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2nx5 s ASP 52 CO 0.27 -0.45 0.00 0.61 0.21 0.00 0.00 175.17 175.81 2nx5 n GLY 53 N 1.07 2.39 3.51 0.21 0.00 -1.08 -4.97 105.19 106.31 2nx5 n GLY 53 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 2nx5 n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nx5 s LEU 54 N 0.00 3.64 -0.25 0.99 2.96 -1.26 -2.80 118.68 121.96 2nx5 s LEU 54 Ca 0.00 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2nx5 s LEU 54 Cb 0.00 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.75 2nx5 s LEU 54 CO 0.00 -0.01 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.24 2nx5 s GLU 55 N 1.51 2.64 -0.08 1.98 -6.30 -0.11 -4.96 118.70 113.38 2nx5 s GLU 55 Ca 0.06 -1.10 -0.18 0.00 -2.50 0.00 0.00 54.97 51.25 2nx5 s GLU 55 Cb -0.15 -2.95 -0.05 0.00 0.00 0.00 0.00 34.13 30.99 2nx5 s GLU 55 CO 0.05 -0.46 0.49 -1.21 0.02 0.00 0.00 175.26 174.16 2nx5 s GLU 56 N 1.25 4.27 -0.37 4.30 2.02 -1.26 -0.67 118.70 128.23 2nx5 s GLU 56 Ca -0.02 0.50 0.01 0.00 0.02 0.00 0.00 54.97 55.48 2nx5 s GLU 56 Cb -0.18 -3.38 0.15 0.00 0.10 0.00 0.00 34.13 30.82 2nx5 s GLU 56 CO -0.05 0.28 0.25 0.21 0.02 0.00 0.00 175.26 175.97 2nx5 s LYS 57 N 0.20 0.69 5.42 1.61 2.20 -0.21 -5.02 119.74 124.63 2nx5 s LYS 57 Ca 0.27 -1.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.30 2nx5 s LYS 57 Cb -0.16 -1.40 0.00 0.00 -1.51 0.00 0.00 37.83 34.76 2nx5 s LYS 57 CO 0.12 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.27 2nx5 n GLY 58 N 3.70 1.72 0.12 5.54 0.00 -1.26 -3.04 105.19 111.98 2nx5 n GLY 58 Ca 0.16 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.63 2nx5 n GLY 58 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2nx5 n ARG 61 N 12.99 1.16 -4.77 1.61 1.85 -1.26 -4.73 116.66 123.50 2nx5 n ARG 61 Ca 0.00 -0.24 -0.33 0.00 -1.00 0.00 0.00 57.85 56.28 2nx5 n ARG 61 Cb 0.00 -1.16 -0.14 0.00 -1.05 0.00 0.00 32.46 30.11 2nx5 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2nx5 s PHE 62 N -1.93 2.81 0.06 2.89 0.40 -1.17 -1.08 117.98 119.96 2nx5 s PHE 62 Ca 0.15 -0.54 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 2nx5 s PHE 62 Cb 0.07 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2nx5 s PHE 62 CO 0.11 -0.13 -0.22 -1.12 0.70 0.00 0.00 175.22 174.56 2nx5 s SER 63 N 0.17 3.53 -0.11 1.36 0.01 0.22 -1.04 113.70 117.85 2nx5 s SER 63 Ca -0.07 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.68 2nx5 s SER 63 Cb -0.15 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.64 2nx5 s SER 63 CO 0.05 0.24 -0.17 -0.44 0.41 0.00 0.00 173.24 173.33 2nx5 s SER 64 N -1.49 2.58 0.02 2.44 0.01 0.15 -0.92 113.70 116.49 2nx5 s SER 64 Ca 0.14 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 57.00 2nx5 s SER 64 Cb -0.10 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.93 2nx5 s SER 64 CO 0.05 0.04 -0.19 0.12 0.41 0.00 0.00 173.24 173.67 2nx5 s PHE 65 N 0.91 2.55 -0.02 2.43 5.36 -0.57 -0.93 117.98 127.70 2nx5 s PHE 65 Ca -0.08 -0.27 -0.01 0.00 -0.96 0.00 0.00 56.93 55.62 2nx5 s PHE 65 Cb -0.15 -1.49 0.02 0.00 -0.34 0.00 0.00 43.02 41.05 2nx5 s PHE 65 CO -0.01 0.20 0.05 -1.17 -1.46 0.00 0.00 175.22 172.83 2nx5 s LEU 66 N -1.22 1.49 -0.30 6.12 2.96 -1.12 -2.61 118.68 124.00 2nx5 s LEU 66 Ca 0.13 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 2nx5 s LEU 66 Cb -0.10 0.10 0.09 0.00 0.50 0.00 0.00 46.19 46.78 2nx5 s LEU 66 CO 0.04 -0.06 0.03 -0.55 -1.32 0.00 0.00 176.35 174.48 2nx5 s SER 67 N 0.47 4.32 0.15 3.68 0.15 0.43 -2.65 113.70 120.25 2nx5 s SER 67 Ca -0.04 -1.74 -0.14 0.00 0.70 0.00 0.00 55.95 54.73 2nx5 s SER 67 Cb -0.05 -1.30 0.02 0.00 -1.71 0.00 0.00 66.02 62.98 2nx5 s SER 67 CO -0.02 -0.35 1.68 0.03 1.20 0.00 0.00 173.24 175.78 2nx5 h ARG 68 N 7.84 0.73 -0.71 5.44 3.08 -1.93 -1.99 114.38 126.83 2nx5 h ARG 68 Ca -0.11 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 59.88 2nx5 h ARG 68 Cb 1.03 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.93 2nx5 h ARG 68 CO 0.48 0.68 0.47 0.77 -1.07 0.00 0.00 179.97 181.30 2nx5 h SER 69 N 0.63 0.56 -0.01 7.04 0.02 -1.96 -2.89 113.55 116.94 2nx5 h SER 69 Ca 0.15 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2nx5 h SER 69 Cb 0.25 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2nx5 h SER 69 CO -0.01 0.34 -0.19 0.29 -1.14 0.00 0.00 176.83 176.13 2nx5 n LYS 70 N -4.49 1.58 -3.30 3.45 4.76 -1.14 -5.00 118.16 114.02 2nx5 n LYS 70 Ca 0.11 -0.91 -0.16 0.00 -2.87 0.00 0.00 58.31 54.48 2nx5 n LYS 70 Cb 0.31 -1.21 0.08 0.00 -1.84 0.00 0.00 35.03 32.37 2nx5 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nx5 n GLY 71 N 0.96 -0.28 3.13 0.72 0.00 -0.78 -4.87 105.19 104.07 2nx5 n GLY 71 Ca 0.06 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2nx5 n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2nx5 s TYR 72 N -3.31 1.45 -0.13 1.61 5.04 -1.02 -1.27 117.35 119.72 2nx5 s TYR 72 Ca 0.12 -0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 54.35 2nx5 s TYR 72 Cb -0.05 -0.95 0.04 0.00 0.35 0.00 0.00 41.96 41.36 2nx5 s TYR 72 CO 0.64 -0.05 0.33 0.45 -1.34 0.00 0.00 175.55 175.58 2nx5 s SER 73 N -0.27 -0.37 0.19 4.32 0.15 -0.07 -0.43 113.70 117.22 2nx5 s SER 73 Ca 0.04 0.70 0.10 0.00 0.70 0.00 0.00 55.95 57.48 2nx5 s SER 73 Cb -0.07 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 2nx5 s SER 73 CO -0.00 -0.15 -0.20 -0.72 1.20 0.00 0.00 173.24 173.37 2nx5 s TYR 74 N 0.75 2.02 -0.21 3.44 -0.85 -1.07 0.56 117.35 121.99 2nx5 s TYR 74 Ca -0.05 -0.42 -0.03 0.00 -0.52 0.00 0.00 57.07 56.05 2nx5 s TYR 74 Cb -0.06 -0.98 -0.00 0.00 0.38 0.00 0.00 41.96 41.30 2nx5 s TYR 74 CO -0.05 0.43 -0.08 -1.17 -1.52 0.00 0.00 175.55 173.15 2nx5 s LEU 75 N -2.79 2.72 -0.29 -3.49 2.96 -0.65 -1.51 118.68 115.62 2nx5 s LEU 75 Ca 0.19 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2nx5 s LEU 75 Cb -0.06 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.96 2nx5 s LEU 75 CO 0.09 -0.00 0.09 -0.22 -1.32 0.00 0.00 176.35 174.98 2nx5 s LEU 76 N 1.37 3.85 -0.26 -0.68 2.96 -0.09 -1.29 118.68 124.54 2nx5 s LEU 76 Ca 0.05 -0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 53.22 2nx5 s LEU 76 Cb -0.14 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2nx5 s LEU 76 CO -0.05 -0.18 0.14 -0.76 -1.32 0.00 0.00 176.35 174.18 2nx5 s LEU 77 N 1.53 3.84 0.29 -0.68 1.43 -0.42 -0.61 118.68 124.06 2nx5 s LEU 77 Ca 0.03 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 2nx5 s LEU 77 Cb -0.17 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2nx5 s LEU 77 CO 0.03 -0.01 0.28 -0.54 0.23 0.00 0.00 176.35 176.34 2nx5 s LYS 78 N 1.51 2.94 -1.44 1.70 1.02 -0.24 -1.53 119.74 123.70 2nx5 s LYS 78 Ca 0.07 -1.10 -0.05 0.00 0.02 0.00 0.00 55.97 54.91 2nx5 s LYS 78 Cb -0.15 -2.60 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2nx5 s LYS 78 CO 0.07 0.26 0.66 0.39 -0.92 0.00 0.00 175.35 175.81 2nx5 n GLU 79 N -1.33 -4.20 -1.60 1.68 1.02 -0.99 -4.78 120.64 110.45 2nx5 n GLU 79 Ca -0.05 0.50 -0.48 0.00 -0.02 0.00 0.00 57.16 57.11 2nx5 n GLU 79 Cb 0.58 -4.99 -0.04 0.00 -0.02 0.00 0.00 31.44 26.98 2nx5 n GLU 79 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2nx5 n LEU 80 N -4.42 1.94 -4.51 -4.62 7.94 -0.86 -4.43 117.00 108.04 2nx5 n LEU 80 Ca -0.19 1.14 -0.24 0.00 -1.11 0.00 0.00 56.01 55.61 2nx5 n LEU 80 Cb 0.63 -1.26 -0.10 0.00 0.53 0.00 0.00 43.42 43.21 2nx5 n LEU 80 CO 0.75 -1.05 -0.44 -1.10 -1.11 0.00 0.00 177.39 174.44 2nx5 s GLN 81 N -0.19 1.77 0.27 1.96 -0.21 -1.26 0.77 119.66 122.77 2nx5 s GLN 81 Ca 0.74 -1.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.33 2nx5 s GLN 81 Cb -0.82 -1.79 0.46 0.00 1.00 0.00 0.00 33.01 31.86 2nx5 s GLN 81 CO 0.50 0.28 1.86 0.52 -2.12 0.00 0.00 175.29 176.33 2nx5 h MET 82 N 2.16 1.07 0.00 2.91 2.86 -1.94 -1.66 114.93 120.33 2nx5 h MET 82 Ca -0.41 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2nx5 h MET 82 Cb 1.26 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2nx5 h MET 82 CO 0.63 0.71 0.00 1.57 1.06 0.00 0.00 176.91 180.87 2nx5 h LYS 83 N 1.10 0.00 0.00 1.72 2.10 -1.97 -2.15 116.57 117.36 2nx5 h LYS 83 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 2nx5 h LYS 83 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2nx5 h LYS 83 CO -0.21 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.99 2nx5 n ASP 84 N -2.85 0.64 -4.65 7.07 8.00 -0.63 -4.70 116.55 119.44 2nx5 n ASP 84 Ca -0.01 0.62 -0.42 0.00 0.71 0.00 0.00 54.79 55.70 2nx5 n ASP 84 Cb 0.19 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 2nx5 n ASP 84 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2nx5 n SER 85 N -2.17 4.08 0.00 -2.24 2.88 -0.81 -4.83 113.62 110.52 2nx5 n SER 85 Ca 0.03 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 2nx5 n SER 85 Cb 0.28 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 2nx5 n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nx5 n ALA 86 N 8.00 0.00 -2.49 -1.46 0.00 -0.96 -4.91 120.51 118.68 2nx5 n ALA 86 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 2nx5 n ALA 86 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2nx5 n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nx5 s SER 87 N 0.00 6.62 -0.15 0.00 0.15 0.75 -0.71 113.70 120.37 2nx5 s SER 87 Ca 0.00 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2nx5 s SER 87 Cb 0.00 -2.20 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 2nx5 s SER 87 CO 0.00 0.01 -0.15 -0.31 1.20 0.00 0.00 173.24 174.00 2nx5 s TYR 88 N -1.67 2.20 -0.17 3.44 2.02 0.67 -0.82 117.35 123.01 2nx5 s TYR 88 Ca 0.43 -1.24 -0.11 0.00 -0.37 0.00 0.00 57.07 55.77 2nx5 s TYR 88 Cb -0.12 -1.61 -0.05 0.00 -0.40 0.00 0.00 41.96 39.78 2nx5 s TYR 88 CO 0.21 -0.68 0.19 -0.51 -1.57 0.00 0.00 175.55 173.20 2nx5 s LEU 89 N 1.47 4.24 -0.26 -1.29 1.43 0.73 -1.19 118.68 123.82 2nx5 s LEU 89 Ca 0.05 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.43 2nx5 s LEU 89 Cb -0.13 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2nx5 s LEU 89 CO -0.11 0.18 0.11 0.00 0.23 0.00 0.00 176.35 176.76 2nx5 s ALA 91 N 1.57 1.84 -0.06 0.00 0.00 0.37 -0.93 121.76 124.56 2nx5 s ALA 91 Ca 0.06 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2nx5 s ALA 91 Cb -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2nx5 s ALA 91 CO 0.06 0.34 -0.16 0.08 0.00 0.00 0.00 175.76 176.08 2nx5 s VAL 92 N -0.03 1.38 -0.26 0.00 1.01 -0.11 0.29 120.40 122.69 2nx5 s VAL 92 Ca -0.05 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 2nx5 s VAL 92 Cb -0.13 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2nx5 s VAL 92 CO 0.03 0.40 0.11 -1.10 0.00 0.00 0.00 175.10 174.55 2nx5 s GLN 93 N 0.33 3.76 0.22 2.72 -0.21 -0.77 -1.09 119.66 124.62 2nx5 s GLN 93 Ca -0.10 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 54.91 2nx5 s GLN 93 Cb -0.14 -3.45 -0.05 0.00 1.00 0.00 0.00 33.01 30.37 2nx5 s GLN 93 CO 0.04 -0.18 -0.07 0.00 -2.12 0.00 0.00 175.29 172.95 2nx5 s ALA 94 N 1.66 1.91 0.21 6.09 0.00 -1.26 -0.44 121.76 129.92 2nx5 s ALA 94 Ca 0.07 -1.71 -0.06 0.00 0.00 0.00 0.00 51.96 50.25 2nx5 s ALA 94 Cb -0.15 0.18 0.15 0.00 0.00 0.00 0.00 23.12 23.30 2nx5 s ALA 94 CO 0.06 -0.10 1.65 0.77 0.00 0.00 0.00 175.76 178.14 2nx5 h SER 95 N 2.52 0.90 -0.05 0.00 0.02 -0.79 -2.55 113.55 113.60 2nx5 h SER 95 Ca -0.38 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2nx5 h SER 95 Cb 1.22 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2nx5 h SER 95 CO 0.64 1.02 -0.03 0.61 -1.14 0.00 0.00 176.83 177.94 2nx5 n GLY 96 N -0.35 -1.86 0.00 -3.77 0.00 -1.26 -3.86 105.19 94.09 2nx5 n GLY 96 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2nx5 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nx5 n GLY 97 N -1.01 1.70 3.29 -0.02 0.00 -1.26 -5.07 105.19 102.83 2nx5 n GLY 97 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2nx5 n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nx5 s SER 98 N -1.06 0.38 0.00 1.61 0.15 -1.25 -5.00 113.70 108.53 2nx5 s SER 98 Ca 0.00 -1.38 -0.00 0.00 0.70 0.00 0.00 55.95 55.27 2nx5 s SER 98 Cb 0.00 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2nx5 s SER 98 CO 0.00 -0.95 0.64 -1.22 1.20 0.00 0.00 173.24 172.91 2nx5 n TYR 102 N -0.36 0.00 -3.26 3.44 4.02 -0.96 -4.09 117.16 115.95 2nx5 n TYR 102 Ca 0.02 -0.31 -0.40 0.00 -0.01 0.00 0.00 57.90 57.21 2nx5 n TYR 102 Cb 0.65 -0.35 -0.08 0.00 -0.02 0.00 0.00 39.34 39.54 2nx5 n TYR 102 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2nx5 s ILE 103 N 1.46 5.08 -0.40 -0.72 -1.09 -1.26 -4.79 121.20 119.48 2nx5 s ILE 103 Ca 0.01 0.72 -0.41 0.00 -2.23 0.00 0.00 60.65 58.75 2nx5 s ILE 103 Cb 0.01 -3.83 -0.16 0.00 -1.58 0.00 0.00 42.46 36.90 2nx5 s ILE 103 CO 0.00 0.04 2.01 -2.65 -1.23 0.00 0.00 174.94 173.11 2nx5 n PRO 104 N 5.55 0.63 -4.14 2.79 -0.02 -1.26 -4.65 135.00 133.89 2nx5 n PRO 104 Ca -0.05 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.28 2nx5 n PRO 104 Cb 0.50 -1.96 -0.10 0.00 -0.02 0.00 0.00 33.50 31.92 2nx5 n PRO 104 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2nx5 s THR 105 N 5.55 4.60 -0.06 3.45 2.01 -0.25 -4.88 115.64 126.06 2nx5 s THR 105 Ca 1.10 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.96 2nx5 s THR 105 Cb -1.19 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2nx5 s THR 105 CO 0.62 0.51 0.09 -0.36 -0.69 0.00 0.00 174.62 174.79 2nx5 s PHE 106 N -0.01 3.38 0.92 4.92 0.08 -1.26 -0.93 117.98 125.07 2nx5 s PHE 106 Ca 0.05 0.31 -0.14 0.00 0.12 0.00 0.00 56.93 57.27 2nx5 s PHE 106 Cb -0.12 -1.82 0.18 0.00 -0.57 0.00 0.00 43.02 40.69 2nx5 s PHE 106 CO 0.01 0.60 1.27 0.20 -0.10 0.00 0.00 175.22 177.20 2nx5 s GLY 107 N -1.36 1.75 0.13 4.36 0.00 -0.11 -4.89 107.32 107.20 2nx5 s GLY 107 Ca 0.19 -1.16 0.14 0.00 0.00 0.00 0.00 44.72 43.89 2nx5 s GLY 107 CO 0.09 -0.45 1.42 0.54 0.00 0.00 0.00 173.10 174.70 2nx5 n ARG 108 N -3.62 0.07 0.00 2.90 1.74 -1.26 -4.75 116.66 111.74 2nx5 n ARG 108 Ca 0.14 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2nx5 n ARG 108 Cb 0.60 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2nx5 n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nx5 n GLY 109 N -0.75 -2.03 3.01 -0.13 0.00 -1.26 -4.97 105.19 99.06 2nx5 n GLY 109 Ca 0.01 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 2nx5 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nx5 s THR 110 N -3.11 1.63 -0.21 2.61 2.01 -0.33 -4.58 115.64 113.66 2nx5 s THR 110 Ca 0.00 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 2nx5 s THR 110 Cb 0.00 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 2nx5 s THR 110 CO 0.00 0.30 1.35 -0.55 -0.69 0.00 0.00 174.62 175.03 2nx5 s SER 111 N 1.43 6.75 -0.22 3.53 0.15 0.31 -0.24 113.70 125.41 2nx5 s SER 111 Ca 0.01 1.56 -0.06 0.00 0.70 0.00 0.00 55.95 58.16 2nx5 s SER 111 Cb -0.15 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2nx5 s SER 111 CO -0.09 -0.95 0.04 -0.22 1.20 0.00 0.00 173.24 173.22 2nx5 s LEU 112 N 4.07 3.40 -0.22 3.45 2.96 0.11 -0.28 118.68 132.17 2nx5 s LEU 112 Ca 0.59 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 54.24 2nx5 s LEU 112 Cb -0.21 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2nx5 s LEU 112 CO 0.21 0.02 0.10 -0.63 -1.32 0.00 0.00 176.35 174.73 2nx5 s ILE 113 N 1.26 4.89 -0.29 6.68 1.01 -0.66 -2.27 121.20 131.81 2nx5 s ILE 113 Ca 0.04 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 2nx5 s ILE 113 Cb -0.15 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2nx5 s ILE 113 CO 0.03 0.39 0.16 -0.69 0.00 0.00 0.00 174.94 174.82 2nx5 s VAL 114 N 0.90 4.80 -0.02 2.92 1.01 -1.26 -1.88 120.40 126.86 2nx5 s VAL 114 Ca 0.05 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 2nx5 s VAL 114 Cb -0.13 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2nx5 s VAL 114 CO 0.03 0.16 0.52 -1.00 0.00 0.00 0.00 175.10 174.80 2nx5 s HIS 115 N 1.66 3.66 0.55 5.22 3.76 0.35 -4.89 115.29 125.61 2nx5 s HIS 115 Ca 0.06 1.08 -0.19 0.00 -0.15 0.00 0.00 55.06 55.86 2nx5 s HIS 115 Cb -0.16 -2.51 -0.06 0.00 1.11 0.00 0.00 32.58 30.96 2nx5 s HIS 115 CO 0.07 0.40 1.09 -1.25 -0.85 0.00 0.00 174.74 174.20 2nx5 s PRO 116 N -0.28 3.42 -0.40 8.40 0.04 -1.26 -1.37 135.00 143.55 2nx5 s PRO 116 Ca 0.28 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 2nx5 s PRO 116 Cb -0.17 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.36 2nx5 s PRO 116 CO 0.15 -0.76 0.89 -0.47 0.04 0.00 0.00 177.00 176.84 2nx5 s TYR 117 N -2.00 3.04 -0.55 0.56 5.04 -1.26 -4.63 117.35 117.55 2nx5 s TYR 117 Ca 0.69 0.59 -0.22 0.00 -2.44 0.00 0.00 57.07 55.69 2nx5 s TYR 117 Cb -0.20 -3.69 0.06 0.00 0.35 0.00 0.00 41.96 38.48 2nx5 s TYR 117 CO 0.28 -0.89 0.80 0.42 -1.34 0.00 0.00 175.55 174.82 2nx5 s ILE 118 N 3.46 4.60 0.05 3.14 -1.09 -1.26 -4.94 121.20 125.17 2nx5 s ILE 118 Ca 0.36 -0.19 -0.35 0.00 -2.23 0.00 0.00 60.65 58.23 2nx5 s ILE 118 Cb -0.12 -4.46 -0.20 0.00 -1.58 0.00 0.00 42.46 36.11 2nx5 s ILE 118 CO 0.21 -1.04 1.51 -0.61 -1.23 0.00 0.00 174.94 173.78 2nx5 h GLN 119 N 9.21 -1.18 -2.98 2.79 5.75 -1.94 -3.39 115.11 123.37 2nx5 h GLN 119 Ca -0.27 0.08 -0.62 0.00 -0.15 0.00 0.00 58.65 57.69 2nx5 h GLN 119 Cb 1.08 0.27 -0.41 0.00 1.07 0.00 0.00 27.48 29.49 2nx5 h GLN 119 CO 1.05 -0.79 -0.68 -0.80 -2.65 0.00 0.00 178.83 174.97 2nx5 s ASN 120 N -4.13 3.97 0.20 -0.69 0.01 -1.26 -5.09 114.94 107.94 2nx5 s ASN 120 Ca -0.19 -3.43 -0.31 0.00 -0.71 0.00 0.00 52.86 48.22 2nx5 s ASN 120 Cb 0.02 -1.33 -0.11 0.00 0.41 0.00 0.00 41.25 40.25 2nx5 s ASN 120 CO 0.58 -0.15 1.58 -2.16 -1.51 0.00 0.00 177.10 175.45 2nx5 s PRO 121 N -0.77 4.19 -0.47 -0.60 0.04 -1.26 -4.97 135.00 131.17 2nx5 s PRO 121 Ca 0.24 2.42 0.05 0.00 0.04 0.00 0.00 61.00 63.76 2nx5 s PRO 121 Cb -0.09 -3.12 0.20 0.00 0.04 0.00 0.00 34.50 31.53 2nx5 s PRO 121 CO -0.13 -0.61 0.45 -3.47 0.04 0.00 0.00 177.00 173.28 2nx5 n ASP 122 N 3.59 0.60 -4.75 6.66 4.64 -0.23 -4.99 116.55 122.06 2nx5 n ASP 122 Ca 0.13 -2.68 -0.41 0.00 -1.38 0.00 0.00 54.79 50.44 2nx5 n ASP 122 Cb 0.38 -0.62 -0.02 0.00 -1.04 0.00 0.00 41.12 39.83 2nx5 n ASP 122 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 2nx5 s PRO 123 N -0.76 4.13 0.05 -0.67 0.02 -1.20 -4.56 135.00 132.02 2nx5 s PRO 123 Ca 0.33 2.55 -0.22 0.00 0.02 0.00 0.00 61.00 63.68 2nx5 s PRO 123 Cb 0.08 -3.03 0.05 0.00 0.02 0.00 0.00 34.50 31.62 2nx5 s PRO 123 CO -0.15 -0.61 0.52 0.00 -0.33 0.00 0.00 177.00 176.43 2nx5 s ALA 124 N -0.03 -1.33 -0.10 -1.55 0.00 -1.02 -4.98 121.76 112.75 2nx5 s ALA 124 Ca 0.63 0.58 0.03 0.00 0.00 0.00 0.00 51.96 53.20 2nx5 s ALA 124 Cb -0.47 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2nx5 s ALA 124 CO 0.48 -0.52 -0.20 0.08 0.00 0.00 0.00 175.76 175.61 2nx5 s VAL 125 N -2.51 1.76 0.16 0.00 1.01 -1.26 -1.83 120.40 117.73 2nx5 s VAL 125 Ca -0.05 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.18 2nx5 s VAL 125 Cb -0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2nx5 s VAL 125 CO -0.02 0.49 -0.18 -0.31 0.00 0.00 0.00 175.10 175.08 2nx5 s TYR 126 N 0.58 1.81 -0.20 5.22 2.02 -0.70 -4.97 117.35 121.11 2nx5 s TYR 126 Ca -0.15 -0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 56.03 2nx5 s TYR 126 Cb -0.17 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 2nx5 s TYR 126 CO 0.05 0.32 0.04 -1.14 -1.57 0.00 0.00 175.55 173.24 2nx5 s GLN 127 N -2.71 3.80 -0.07 -0.62 0.74 -1.26 -1.17 119.66 118.36 2nx5 s GLN 127 Ca 0.15 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 55.13 2nx5 s GLN 127 Cb -0.06 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.85 2nx5 s GLN 127 CO 0.06 0.12 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.36 2nx5 s LEU 128 N 0.76 3.29 0.07 3.68 1.02 -0.28 -4.98 118.68 122.24 2nx5 s LEU 128 Ca 0.02 0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.21 2nx5 s LEU 128 Cb -0.14 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 2nx5 s LEU 128 CO 0.02 0.36 0.12 -0.13 0.02 0.00 0.00 176.35 176.74 2nx5 s ARG 129 N -0.85 3.06 0.73 1.70 0.52 -1.26 -1.95 118.95 120.90 2nx5 s ARG 129 Ca 0.13 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.61 2nx5 s ARG 129 Cb -0.11 -2.83 0.03 0.00 0.52 0.00 0.00 34.95 32.56 2nx5 s ARG 129 CO 0.02 0.58 1.09 0.34 0.02 0.00 0.00 175.30 177.35 2nx5 s ASP 130 N -2.40 4.79 -0.01 0.23 2.15 -1.26 -5.00 116.67 115.16 2nx5 s ASP 130 Ca 0.31 1.86 -0.11 0.00 0.43 0.00 0.00 52.55 55.04 2nx5 s ASP 130 Cb -0.12 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 39.91 2nx5 s ASP 130 CO 0.24 -1.84 0.65 -1.28 -0.17 0.00 0.00 175.17 172.77 2nx5 h SER 131 N -0.69 -0.33 -2.71 -0.34 0.87 -1.96 -3.43 113.55 104.95 2nx5 h SER 131 Ca -0.45 0.01 -0.59 0.00 -1.23 0.00 0.00 61.79 59.53 2nx5 h SER 131 Cb 1.23 0.09 0.10 0.00 -0.44 0.00 0.00 62.40 63.38 2nx5 h SER 131 CO 0.53 -0.09 0.38 0.29 -0.53 0.00 0.00 176.83 177.41 2nx5 n LYS 132 N -3.86 1.73 0.00 2.24 4.76 -1.26 -4.86 118.16 116.92 2nx5 n LYS 132 Ca -0.05 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 2nx5 n LYS 132 Cb 0.15 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.21 2nx5 n LYS 132 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2nx5 n SER 133 N 1.42 0.00 0.00 4.39 7.64 -1.26 -3.25 113.62 122.55 2nx5 n SER 133 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2nx5 n SER 133 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2nx5 n SER 133 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2nx5 n SER 134 N 0.00 0.00 -4.89 6.43 2.88 -1.26 -5.15 113.62 111.63 2nx5 n SER 134 Ca 0.00 -0.92 -0.30 0.00 -1.33 0.00 0.00 58.87 56.32 2nx5 n SER 134 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2nx5 n SER 134 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2nx5 s ASP 135 N 0.00 6.53 0.00 -3.46 3.68 -1.20 -5.10 116.67 117.12 2nx5 s ASP 135 Ca 0.00 0.86 0.00 0.00 2.13 0.00 0.00 52.55 55.54 2nx5 s ASP 135 Cb 0.00 -2.21 0.00 0.00 -1.45 0.00 0.00 42.92 39.26 2nx5 s ASP 135 CO 0.00 -0.19 0.00 0.29 0.13 0.00 0.00 175.17 175.40 2nx5 n LYS 136 N -0.71 2.31 -0.61 4.34 5.02 -1.26 -4.43 118.16 122.82 2nx5 n LYS 136 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2nx5 n LYS 136 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2nx5 n LYS 136 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2nx5 n SER 137 N 0.00 0.00 -3.60 4.39 3.41 -1.26 -4.36 113.62 112.20 2nx5 n SER 137 Ca 0.00 -0.73 -0.14 0.00 -0.26 0.00 0.00 58.87 57.74 2nx5 n SER 137 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2nx5 n SER 137 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2nx5 s VAL 138 N 0.94 0.03 0.04 -3.33 0.11 -0.82 -4.69 120.40 112.68 2nx5 s VAL 138 Ca 0.00 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2nx5 s VAL 138 Cb 0.00 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2nx5 s VAL 138 CO 0.00 -0.15 0.15 0.00 -3.33 0.00 0.00 175.10 171.77 2nx5 s LEU 140 N -2.21 1.64 -0.24 0.00 2.96 -0.32 -1.97 118.68 118.54 2nx5 s LEU 140 Ca 0.30 -0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 53.37 2nx5 s LEU 140 Cb -0.13 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2nx5 s LEU 140 CO 0.22 -0.19 0.37 0.12 -1.32 0.00 0.00 176.35 175.55 2nx5 s PHE 141 N 1.63 3.29 0.18 5.38 5.36 -0.13 -1.71 117.98 131.97 2nx5 s PHE 141 Ca 0.00 0.47 -0.06 0.00 -0.96 0.00 0.00 56.93 56.39 2nx5 s PHE 141 Cb -0.15 -2.54 -0.02 0.00 -0.34 0.00 0.00 43.02 39.97 2nx5 s PHE 141 CO -0.08 -0.14 0.23 -0.08 -1.46 0.00 0.00 175.22 173.70 2nx5 s THR 142 N 1.75 0.05 -1.87 0.12 -1.32 -0.76 0.16 115.64 113.76 2nx5 s THR 142 Ca 0.16 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2nx5 s THR 142 Cb -0.15 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 2nx5 s THR 142 CO 0.09 -0.24 0.00 0.47 -2.21 0.00 0.00 174.62 172.73 2nx5 n ASP 143 N -0.22 -5.51 -4.89 8.08 8.00 -0.87 -2.43 116.55 118.70 2nx5 n ASP 143 Ca -0.04 0.44 -0.29 0.00 0.71 0.00 0.00 54.79 55.61 2nx5 n ASP 143 Cb 0.64 -4.57 -0.01 0.00 -0.02 0.00 0.00 41.12 37.15 2nx5 n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2nx5 s PHE 144 N -2.53 3.53 0.72 1.24 -0.12 -1.26 -1.07 117.98 118.50 2nx5 s PHE 144 Ca 0.00 0.95 -0.14 0.00 -0.05 0.00 0.00 56.93 57.69 2nx5 s PHE 144 Cb 0.00 -2.40 0.03 0.00 -0.63 0.00 0.00 43.02 40.02 2nx5 s PHE 144 CO 0.00 -0.25 1.14 0.16 -0.05 0.00 0.00 175.22 176.21 2nx5 s ASP 145 N -3.74 4.55 0.22 1.98 -4.77 -1.26 -4.28 116.67 109.36 2nx5 s ASP 145 Ca 0.50 2.09 0.20 0.00 -3.30 0.00 0.00 52.55 52.04 2nx5 s ASP 145 Cb -0.10 -2.56 0.91 0.00 -1.09 0.00 0.00 42.92 40.08 2nx5 s ASP 145 CO 0.41 -2.01 1.61 -1.20 0.70 0.00 0.00 175.17 174.68 2nx5 n SER 146 N -2.84 0.50 -0.97 2.11 7.64 -1.26 -2.31 113.62 116.49 2nx5 n SER 146 Ca 0.11 0.66 0.10 0.00 1.01 0.00 0.00 58.87 60.75 2nx5 n SER 146 Cb 0.52 -0.75 0.26 0.00 -1.01 0.00 0.00 64.21 63.23 2nx5 n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nx5 n GLN 147 N -2.09 2.23 -2.85 1.43 3.00 -1.26 -4.84 117.38 113.00 2nx5 n GLN 147 Ca 0.01 -1.90 -0.42 0.00 -0.01 0.00 0.00 57.00 54.69 2nx5 n GLN 147 Cb 0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 30.24 28.92 2nx5 n GLN 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2nx5 s THR 148 N -1.41 4.84 0.29 5.09 2.01 -0.98 -5.04 115.64 120.44 2nx5 s THR 148 Ca 0.37 1.69 -0.28 0.00 0.31 0.00 0.00 61.69 63.78 2nx5 s THR 148 Cb 0.20 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 2nx5 s THR 148 CO 0.27 -0.03 1.03 0.20 -0.69 0.00 0.00 174.62 175.40 2nx5 s ASN 149 N 1.21 7.29 -0.32 3.53 0.01 -1.26 -5.04 114.94 120.37 2nx5 s ASN 149 Ca 0.39 2.11 -0.06 0.00 -0.71 0.00 0.00 52.86 54.58 2nx5 s ASN 149 Cb -0.16 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 38.91 2nx5 s ASN 149 CO 0.11 -0.11 0.08 -0.69 -1.51 0.00 0.00 177.10 174.98 2nx5 s VAL 150 N -1.29 3.77 0.72 1.60 1.01 -1.26 -5.09 120.40 119.87 2nx5 s VAL 150 Ca 0.46 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 2nx5 s VAL 150 Cb -0.28 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.08 2nx5 s VAL 150 CO 0.35 -0.06 1.23 -0.44 0.00 0.00 0.00 175.10 176.19 2nx5 s SER 151 N 1.43 4.18 0.63 3.32 0.01 -1.26 -4.95 113.70 117.06 2nx5 s SER 151 Ca -0.00 2.45 -0.01 0.00 1.31 0.00 0.00 55.95 59.70 2nx5 s SER 151 Cb -0.18 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.54 2nx5 s SER 151 CO 0.02 -2.28 0.62 0.00 0.41 0.00 0.00 173.24 172.01 2nx5 n GLN 152 N -2.59 0.10 -1.32 12.44 1.13 -1.26 -4.90 117.38 120.98 2nx5 n GLN 152 Ca 0.14 -1.61 -0.30 0.00 -1.94 0.00 0.00 57.00 53.30 2nx5 n GLN 152 Cb 0.50 -0.43 0.12 0.00 0.11 0.00 0.00 30.24 30.53 2nx5 n GLN 152 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2nx5 s SER 153 N -3.49 3.81 0.29 1.08 0.01 -1.26 -4.93 113.70 109.21 2nx5 s SER 153 Ca 0.40 1.42 0.01 0.00 1.31 0.00 0.00 55.95 59.10 2nx5 s SER 153 Cb -0.02 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2nx5 s SER 153 CO 0.27 -2.42 0.30 -0.54 0.41 0.00 0.00 173.24 171.26 2nx5 s LYS 154 N -5.01 1.63 0.00 12.44 1.02 -1.26 -4.86 119.74 123.69 2nx5 s LYS 154 Ca 0.63 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.82 2nx5 s LYS 154 Cb -0.17 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 2nx5 s LYS 154 CO 0.56 -0.61 0.00 -0.40 -0.92 0.00 0.00 175.35 173.98 2nx5 n ASP 155 N -1.08 0.00 0.00 2.83 5.68 -1.26 -4.02 116.55 118.70 2nx5 n ASP 155 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 2nx5 n ASP 155 Cb 0.63 -0.89 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2nx5 n ASP 155 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2nx5 n SER 156 N 0.00 0.00 0.00 -1.12 2.88 -1.26 -4.74 113.62 109.38 2nx5 n SER 156 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2nx5 n SER 156 Cb 0.00 -0.03 0.52 0.00 -0.75 0.00 0.00 64.21 63.95 2nx5 n SER 156 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2nx5 n ASP 157 N 0.45 0.00 -4.78 -3.46 10.43 -1.26 -4.77 116.55 113.17 2nx5 n ASP 157 Ca 0.00 0.47 -0.31 0.00 2.57 0.00 0.00 54.79 57.51 2nx5 n ASP 157 Cb 0.00 -0.49 -0.07 0.00 1.84 0.00 0.00 41.12 42.41 2nx5 n ASP 157 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2nx5 s VAL 158 N -2.98 4.60 -0.08 2.53 1.01 -1.26 -3.75 120.40 120.48 2nx5 s VAL 158 Ca 0.12 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2nx5 s VAL 158 Cb 0.16 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2nx5 s VAL 158 CO 0.44 0.20 -0.07 -0.31 0.00 0.00 0.00 175.10 175.35 2nx5 s TYR 159 N -1.33 1.21 -0.11 5.22 2.02 -0.88 -4.62 117.35 118.86 2nx5 s TYR 159 Ca 0.27 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2nx5 s TYR 159 Cb -0.12 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 2nx5 s TYR 159 CO 0.19 -0.35 -0.14 0.42 -1.57 0.00 0.00 175.55 174.11 2nx5 s ILE 160 N 1.23 2.96 0.34 2.71 -1.09 -1.26 -2.19 121.20 123.90 2nx5 s ILE 160 Ca -0.05 -0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 57.61 2nx5 s ILE 160 Cb -0.14 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 2nx5 s ILE 160 CO -0.02 0.54 0.61 0.42 -1.23 0.00 0.00 174.94 175.26 2nx5 s THR 161 N 0.18 4.98 0.98 2.92 -4.23 0.29 -4.77 115.64 115.99 2nx5 s THR 161 Ca -0.08 0.09 -0.11 0.00 -1.18 0.00 0.00 61.69 60.41 2nx5 s THR 161 Cb -0.15 -3.76 0.18 0.00 1.34 0.00 0.00 72.50 70.11 2nx5 s THR 161 CO 0.05 -0.44 1.11 -1.81 -0.54 0.00 0.00 174.62 172.99 2nx5 s ASP 162 N -3.38 2.41 0.52 3.99 1.01 -1.26 -3.99 116.67 115.97 2nx5 s ASP 162 Ca 0.45 1.97 -0.20 0.00 0.71 0.00 0.00 52.55 55.48 2nx5 s ASP 162 Cb -0.10 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 2nx5 s ASP 162 CO 0.33 -3.39 1.10 -1.59 0.21 0.00 0.00 175.17 171.83 2nx5 s LYS 163 N -4.61 3.51 -0.17 8.23 -2.85 -1.26 -4.50 119.74 118.09 2nx5 s LYS 163 Ca 0.67 1.52 -0.12 0.00 -1.00 0.00 0.00 55.97 57.04 2nx5 s LYS 163 Cb -0.23 -2.04 0.05 0.00 -2.06 0.00 0.00 37.83 33.55 2nx5 s LYS 163 CO 0.60 -0.70 0.44 0.00 0.10 0.00 0.00 175.35 175.78 2nx5 s VAL 165 N 0.88 5.19 0.02 0.00 1.01 -1.26 -2.39 120.40 123.84 2nx5 s VAL 165 Ca -0.05 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.58 2nx5 s VAL 165 Cb -0.06 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2nx5 s VAL 165 CO -0.07 0.21 0.00 -1.48 0.00 0.00 0.00 175.10 173.76 2nx5 s LEU 166 N 1.66 3.51 -0.32 3.92 0.05 -0.65 -4.97 118.68 121.87 2nx5 s LEU 166 Ca 0.17 -0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.31 2nx5 s LEU 166 Cb -0.15 -2.06 0.07 0.00 -2.05 0.00 0.00 46.19 42.00 2nx5 s LEU 166 CO 0.09 0.26 0.03 -0.62 -0.55 0.00 0.00 176.35 175.55 2nx5 s ASP 167 N -1.71 4.85 -1.16 1.48 2.15 -1.26 -2.30 116.67 118.73 2nx5 s ASP 167 Ca 0.21 -1.64 -0.19 0.00 0.43 0.00 0.00 52.55 51.36 2nx5 s ASP 167 Cb -0.12 -1.69 0.09 0.00 -0.30 0.00 0.00 42.92 40.91 2nx5 s ASP 167 CO 0.12 -0.33 1.52 -0.04 -0.17 0.00 0.00 175.17 176.27 2nx5 s MET 168 N 1.13 3.85 0.25 4.34 -1.94 0.20 -4.87 119.30 122.26 2nx5 s MET 168 Ca 0.00 -1.86 -0.04 0.00 -1.71 0.00 0.00 55.69 52.09 2nx5 s MET 168 Cb -0.20 -5.31 0.43 0.00 2.01 0.00 0.00 34.83 31.75 2nx5 s MET 168 CO -0.04 -2.08 1.80 0.00 -0.01 0.00 0.00 175.02 174.69 2nx5 h ARG 169 N 8.24 0.75 -0.46 2.03 3.08 -1.95 0.45 114.38 126.51 2nx5 h ARG 169 Ca 0.32 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.35 2nx5 h ARG 169 Cb 0.93 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 2nx5 h ARG 169 CO 1.36 0.49 0.25 0.66 -1.07 0.00 0.00 179.97 181.66 2nx5 h SER 170 N 0.77 0.37 0.14 7.04 4.64 -1.97 -2.19 113.55 122.35 2nx5 h SER 170 Ca 0.41 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2nx5 h SER 170 Cb 0.42 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2nx5 h SER 170 CO -0.27 0.26 -0.16 0.23 -0.87 0.00 0.00 176.83 176.03 2nx5 n MET 171 N -4.87 1.17 -3.45 4.77 2.81 -0.95 -4.96 117.12 111.64 2nx5 n MET 171 Ca 0.03 -0.69 -0.19 0.00 -1.81 0.00 0.00 57.70 55.03 2nx5 n MET 171 Cb 0.10 -1.49 0.06 0.00 -0.71 0.00 0.00 33.22 31.19 2nx5 n MET 171 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2nx5 n ASP 172 N -0.31 -4.33 -3.88 7.83 2.03 0.02 -4.99 116.55 112.91 2nx5 n ASP 172 Ca 0.15 -0.76 -0.28 0.00 0.52 0.00 0.00 54.79 54.42 2nx5 n ASP 172 Cb 0.36 -4.68 -0.17 0.00 -0.72 0.00 0.00 41.12 35.91 2nx5 n ASP 172 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2nx5 s PHE 173 N -3.45 1.60 0.02 -0.67 5.36 -0.41 -4.98 117.98 115.44 2nx5 s PHE 173 Ca 0.27 -1.00 0.01 0.00 -0.96 0.00 0.00 56.93 55.25 2nx5 s PHE 173 Cb -0.05 -1.27 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 2nx5 s PHE 173 CO 0.77 -0.59 0.05 0.15 -1.46 0.00 0.00 175.22 174.14 2nx5 s LYS 174 N 1.67 2.91 -0.01 10.12 1.02 -1.26 0.59 119.74 134.79 2nx5 s LYS 174 Ca 0.01 -0.58 -0.24 0.00 0.02 0.00 0.00 55.97 55.18 2nx5 s LYS 174 Cb -0.15 -2.76 0.05 0.00 -0.52 0.00 0.00 37.83 34.46 2nx5 s LYS 174 CO -0.08 0.62 0.53 -1.54 -0.92 0.00 0.00 175.35 173.97 2nx5 s SER 175 N -1.82 -0.46 0.34 2.83 1.04 -0.97 -4.98 113.70 109.68 2nx5 s SER 175 Ca 0.23 0.36 0.02 0.00 0.48 0.00 0.00 55.95 57.04 2nx5 s SER 175 Cb -0.12 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 2nx5 s SER 175 CO 0.14 -0.61 0.53 0.20 0.98 0.00 0.00 173.24 174.48 2nx5 s ASN 176 N -1.52 6.22 -0.28 7.02 0.01 -1.26 -1.64 114.94 123.49 2nx5 s ASN 176 Ca -0.09 0.32 -0.20 0.00 -0.71 0.00 0.00 52.86 52.18 2nx5 s ASN 176 Cb -0.01 -1.89 0.11 0.00 0.41 0.00 0.00 41.25 39.86 2nx5 s ASN 176 CO 0.04 -0.32 0.86 -0.94 -1.51 0.00 0.00 177.10 175.23 2nx5 s SER 177 N -4.06 -0.67 0.24 -1.22 1.04 -1.01 -2.05 113.70 105.98 2nx5 s SER 177 Ca 0.40 1.16 0.10 0.00 0.48 0.00 0.00 55.95 58.08 2nx5 s SER 177 Cb -0.10 1.23 -0.04 0.00 0.10 0.00 0.00 66.02 67.21 2nx5 s SER 177 CO 0.35 -0.19 -0.05 0.00 0.98 0.00 0.00 173.24 174.33 2nx5 s ALA 178 N 0.93 3.07 -0.05 5.32 0.00 0.12 -2.31 121.76 128.84 2nx5 s ALA 178 Ca -0.04 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.33 2nx5 s ALA 178 Cb -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2nx5 s ALA 178 CO -0.11 0.33 -0.15 0.08 0.00 0.00 0.00 175.76 175.91 2nx5 s VAL 179 N -2.16 1.30 -0.05 0.00 1.01 -1.26 -0.96 120.40 118.29 2nx5 s VAL 179 Ca 0.29 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2nx5 s VAL 179 Cb -0.07 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 2nx5 s VAL 179 CO 0.18 0.39 -0.18 0.00 0.00 0.00 0.00 175.10 175.49 2nx5 s ALA 180 N 0.30 1.62 0.03 5.51 0.00 -0.83 -0.55 121.76 127.84 2nx5 s ALA 180 Ca -0.09 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2nx5 s ALA 180 Cb -0.13 -0.55 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 2nx5 s ALA 180 CO 0.03 0.28 0.14 1.67 0.00 0.00 0.00 175.76 177.88 2nx5 s TRP 181 N 0.09 0.12 0.01 0.00 -2.14 -0.93 0.71 118.94 116.81 2nx5 s TRP 181 Ca -0.06 -0.37 0.01 0.00 2.66 0.00 0.00 56.10 58.35 2nx5 s TRP 181 Cb -0.13 -0.09 -0.01 0.00 -3.10 0.00 0.00 33.47 30.15 2nx5 s TRP 181 CO 0.03 -0.38 -0.05 0.45 -2.66 0.00 0.00 176.95 174.34 2nx5 s SER 182 N -2.01 0.59 -0.20 -2.66 0.15 -1.26 -2.08 113.70 106.24 2nx5 s SER 182 Ca -0.06 -0.26 0.08 0.00 0.70 0.00 0.00 55.95 56.40 2nx5 s SER 182 Cb -0.02 -0.01 0.54 0.00 -1.71 0.00 0.00 66.02 64.82 2nx5 s SER 182 CO -0.03 -0.06 1.44 0.59 1.20 0.00 0.00 173.24 176.38 2nx5 n ASN 183 N 2.38 4.08 -4.35 5.45 5.03 -1.25 -4.90 115.26 121.70 2nx5 n ASN 183 Ca -0.17 -2.77 -0.26 0.00 0.87 0.00 0.00 54.58 52.25 2nx5 n ASN 183 Cb 0.57 -0.66 -0.12 0.00 -1.02 0.00 0.00 39.78 38.55 2nx5 n ASN 183 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2nx5 s LYS 184 N -2.23 1.31 0.06 3.52 -2.85 -1.26 -5.08 119.74 113.21 2nx5 s LYS 184 Ca 0.38 -1.33 -0.28 0.00 -1.00 0.00 0.00 55.97 53.74 2nx5 s LYS 184 Cb 0.30 -1.65 -0.17 0.00 -2.06 0.00 0.00 37.83 34.25 2nx5 s LYS 184 CO 0.10 0.38 1.54 0.66 0.10 0.00 0.00 175.35 178.12 2nx5 h SER 185 N 3.74 -0.46 -0.60 0.03 4.64 -2.03 -3.38 113.55 115.49 2nx5 h SER 185 Ca -0.47 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 60.55 2nx5 h SER 185 Cb 1.19 0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 2nx5 h SER 185 CO 0.42 -0.25 0.67 -0.62 -0.87 0.00 0.00 176.83 176.19 2nx5 s ASP 186 N -4.79 4.89 -0.26 4.97 2.15 -1.26 -4.86 116.67 117.51 2nx5 s ASP 186 Ca -0.16 -0.78 -0.10 0.00 0.43 0.00 0.00 52.55 51.94 2nx5 s ASP 186 Cb 0.04 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.20 2nx5 s ASP 186 CO 0.61 -3.04 0.58 0.12 -0.17 0.00 0.00 175.17 173.27 2nx5 s PHE 187 N 11.16 -1.11 0.03 -5.34 2.19 -1.26 -5.13 117.98 118.52 2nx5 s PHE 187 Ca 0.73 2.03 0.06 0.00 0.33 0.00 0.00 56.93 60.08 2nx5 s PHE 187 Cb -0.06 0.62 -0.02 0.00 -1.31 0.00 0.00 43.02 42.24 2nx5 s PHE 187 CO 0.04 -0.58 -0.18 0.00 1.83 0.00 0.00 175.22 176.33 2nx5 s ALA 188 N 2.50 1.50 -0.15 11.12 0.00 -1.26 -5.05 121.76 130.42 2nx5 s ALA 188 Ca -0.06 -0.93 0.29 0.00 0.00 0.00 0.00 51.96 51.26 2nx5 s ALA 188 Cb -0.11 -0.29 1.03 0.00 0.00 0.00 0.00 23.12 23.76 2nx5 s ALA 188 CO -0.17 0.33 1.85 0.00 0.00 0.00 0.00 175.76 177.76 2nx5 h ALA 190 N 2.06 1.49 -0.21 0.00 0.00 -1.96 -2.88 119.26 117.75 2nx5 h ALA 190 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2nx5 h ALA 190 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2nx5 h ALA 190 CO 0.00 0.35 0.00 0.27 0.00 0.00 0.00 179.25 179.87 2nx5 n ASN 191 N -4.14 2.57 -0.21 0.00 2.04 -1.21 -4.68 115.26 109.63 2nx5 n ASN 191 Ca -0.02 -1.77 -0.09 0.00 -0.44 0.00 0.00 54.58 52.27 2nx5 n ASN 191 Cb 0.33 -0.13 0.03 0.00 -2.53 0.00 0.00 39.78 37.48 2nx5 n ASN 191 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2nx5 h ALA 192 N 2.42 0.80 -0.82 -2.53 0.00 -1.52 -2.98 119.26 114.63 2nx5 h ALA 192 Ca 0.00 -0.26 -0.51 0.00 0.00 0.00 0.00 54.91 54.14 2nx5 h ALA 192 Cb 0.65 -0.23 -0.28 0.00 0.00 0.00 0.00 17.79 17.93 2nx5 h ALA 192 CO 0.00 0.57 0.34 1.19 0.00 0.00 0.00 179.25 181.35 2nx5 n PHE 193 N -4.29 2.65 1.26 0.00 3.01 -1.26 -5.08 117.46 113.76 2nx5 n PHE 193 Ca 0.03 -2.30 0.10 0.00 1.01 0.00 0.00 57.45 56.29 2nx5 n PHE 193 Cb 0.28 -0.94 0.60 0.00 -0.01 0.00 0.00 39.48 39.41 2nx5 n PHE 193 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06