#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 -0.98 -4.78 1.69 6.94 -1.26 -3.71 115.26 113.15 2nx5 n ASN 2 Ca 0.00 0.02 -0.37 0.00 -0.02 0.00 0.00 54.58 54.21 2nx5 n ASN 2 Cb 0.00 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.13 2nx5 n ASN 2 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2nx5 s ILE 3 N -0.20 3.61 -0.12 1.53 -1.09 -1.26 -4.42 121.20 119.25 2nx5 s ILE 3 Ca 0.03 1.23 0.01 0.00 -2.23 0.00 0.00 60.65 59.70 2nx5 s ILE 3 Cb -0.00 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2nx5 s ILE 3 CO 0.07 0.01 -0.14 -0.62 -1.23 0.00 0.00 174.94 173.02 2nx5 s ASP 4 N -1.51 2.46 0.04 3.58 2.15 0.15 -4.70 116.67 118.85 2nx5 s ASP 4 Ca 0.58 -0.43 -0.12 0.00 0.43 0.00 0.00 52.55 53.02 2nx5 s ASP 4 Cb -0.23 -1.09 0.01 0.00 -0.30 0.00 0.00 42.92 41.31 2nx5 s ASP 4 CO 0.29 -0.01 0.25 0.00 -0.17 0.00 0.00 175.17 175.53 2nx5 s GLN 5 N 1.12 0.76 0.45 4.34 -2.07 -1.26 -0.79 119.66 122.22 2nx5 s GLN 5 Ca -0.04 -0.58 -0.23 0.00 -1.82 0.00 0.00 55.36 52.69 2nx5 s GLN 5 Cb -0.14 0.32 -0.07 0.00 -1.09 0.00 0.00 33.01 32.02 2nx5 s GLN 5 CO -0.04 -0.23 1.19 -2.14 -1.32 0.00 0.00 175.29 172.75 2nx5 s PRO 7 N -2.62 3.76 0.04 9.60 0.02 -1.26 -4.84 135.00 139.71 2nx5 s PRO 7 Ca -0.05 1.84 -0.24 0.00 0.02 0.00 0.00 61.00 62.57 2nx5 s PRO 7 Cb -0.01 -2.46 -0.17 0.00 0.02 0.00 0.00 34.50 31.89 2nx5 s PRO 7 CO -0.04 -0.57 1.54 1.15 -0.33 0.00 0.00 177.00 178.75 2nx5 h THR 8 N 1.94 1.12 -3.80 0.99 2.02 -1.97 -3.34 112.91 109.87 2nx5 h THR 8 Ca -0.49 -0.46 -0.11 0.00 0.77 0.00 0.00 66.41 66.12 2nx5 h THR 8 Cb 1.25 1.43 -0.16 0.00 -1.74 0.00 0.00 68.15 68.93 2nx5 h THR 8 CO 0.60 0.12 -0.47 -0.70 0.37 0.00 0.00 175.52 175.44 2nx5 s GLU 9 N -5.40 0.69 -0.01 6.66 2.12 -1.26 -1.80 118.70 119.69 2nx5 s GLU 9 Ca -0.14 -0.84 -0.09 0.00 0.36 0.00 0.00 54.97 54.26 2nx5 s GLU 9 Cb 0.04 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.71 2nx5 s GLU 9 CO 0.66 -0.19 0.19 -1.64 -0.54 0.00 0.00 175.26 173.74 2nx5 s MET 10 N -3.10 0.49 -0.08 4.30 -1.94 0.23 -4.89 119.30 114.32 2nx5 s MET 10 Ca -0.01 -0.24 0.03 0.00 -1.71 0.00 0.00 55.69 53.76 2nx5 s MET 10 Cb 0.02 0.21 0.01 0.00 2.01 0.00 0.00 34.83 37.07 2nx5 s MET 10 CO -0.07 -0.12 -0.18 0.99 -0.01 0.00 0.00 175.02 175.63 2nx5 s THR 11 N -1.14 1.58 -0.04 2.05 2.01 -1.26 -1.16 115.64 117.68 2nx5 s THR 11 Ca -0.12 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 2nx5 s THR 11 Cb -0.06 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.07 2nx5 s THR 11 CO 0.02 0.45 0.25 0.00 -0.69 0.00 0.00 174.62 174.65 2nx5 s ALA 12 N 0.47 -0.62 0.40 7.40 0.00 -0.74 -5.00 121.76 123.68 2nx5 s ALA 12 Ca -0.16 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 2nx5 s ALA 12 Cb -0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 2nx5 s ALA 12 CO 0.06 -0.20 0.77 0.99 0.00 0.00 0.00 175.76 177.38 2nx5 s THR 13 N -0.83 4.77 0.42 0.00 2.01 -1.26 0.16 115.64 120.91 2nx5 s THR 13 Ca -0.09 0.68 -0.26 0.00 0.31 0.00 0.00 61.69 62.32 2nx5 s THR 13 Cb -0.05 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 2nx5 s THR 13 CO 0.02 -0.49 1.43 -1.83 -0.69 0.00 0.00 174.62 173.06 2nx5 s GLU 14 N -3.77 3.86 0.00 4.92 -1.05 0.79 -2.79 118.70 120.67 2nx5 s GLU 14 Ca 0.52 2.44 0.00 0.00 -0.15 0.00 0.00 54.97 57.77 2nx5 s GLU 14 Cb -0.10 -2.77 0.00 0.00 -0.44 0.00 0.00 34.13 30.81 2nx5 s GLU 14 CO 0.30 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 176.24 2nx5 n GLY 15 N 0.56 0.77 2.46 -3.83 0.00 0.17 -4.87 105.19 100.44 2nx5 n GLY 15 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 0.52 -3.78 4.61 0.00 -1.12 -4.30 120.51 116.16 2nx5 n ALA 16 Ca 0.00 -1.29 -0.28 0.00 0.00 0.00 0.00 53.44 51.87 2nx5 n ALA 16 Cb 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.51 0.72 0.03 0.00 1.01 -1.26 -1.75 121.20 118.45 2nx5 s ILE 17 Ca 0.40 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2nx5 s ILE 17 Cb -0.03 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 2nx5 s ILE 17 CO 0.26 -0.15 0.02 0.54 0.00 0.00 0.00 174.94 175.61 2nx5 s VAL 18 N 1.77 4.25 -0.15 2.92 0.11 -0.98 -4.96 120.40 123.37 2nx5 s VAL 18 Ca -0.01 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2nx5 s VAL 18 Cb -0.17 -2.96 0.02 0.00 -1.53 0.00 0.00 36.38 31.74 2nx5 s VAL 18 CO -0.07 0.28 -0.20 -1.58 -3.33 0.00 0.00 175.10 170.19 2nx5 s GLN 19 N -1.88 2.87 -0.27 1.54 0.74 -1.26 -1.34 119.66 120.06 2nx5 s GLN 19 Ca 0.23 -0.79 -0.09 0.00 0.05 0.00 0.00 55.36 54.76 2nx5 s GLN 19 Cb -0.12 -2.41 -0.03 0.00 1.10 0.00 0.00 33.01 31.55 2nx5 s GLN 19 CO 0.14 -0.12 0.12 0.42 -0.55 0.00 0.00 175.29 175.31 2nx5 s ILE 20 N 1.08 4.67 0.19 -2.34 1.01 0.11 -4.94 121.20 120.97 2nx5 s ILE 20 Ca -0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.35 2nx5 s ILE 20 Cb -0.14 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 2nx5 s ILE 20 CO -0.07 0.28 0.70 0.20 0.00 0.00 0.00 174.94 176.05 2nx5 s ASN 21 N 1.66 7.10 -0.09 3.58 0.02 -1.26 -1.15 114.94 124.79 2nx5 s ASN 21 Ca 0.06 1.41 -0.04 0.00 -1.02 0.00 0.00 52.86 53.27 2nx5 s ASN 21 Cb -0.16 -2.41 0.05 0.00 0.02 0.00 0.00 41.25 38.75 2nx5 s ASN 21 CO 0.06 0.10 0.18 0.00 0.02 0.00 0.00 177.10 177.46 2nx5 s THR 23 N 2.15 2.41 -0.02 0.00 -4.23 0.03 -0.51 115.64 115.47 2nx5 s THR 23 Ca 0.01 -0.94 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 2nx5 s THR 23 Cb -0.12 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 2nx5 s THR 23 CO -0.06 0.57 -0.20 -0.72 -0.54 0.00 0.00 174.62 173.66 2nx5 s TYR 24 N -0.29 1.85 -0.86 3.99 -0.85 -1.00 0.33 117.35 120.53 2nx5 s TYR 24 Ca 0.01 -0.37 0.01 0.00 -0.52 0.00 0.00 57.07 56.20 2nx5 s TYR 24 Cb -0.13 -1.20 0.33 0.00 0.38 0.00 0.00 41.96 41.34 2nx5 s TYR 24 CO 0.03 -0.05 1.47 0.94 -1.52 0.00 0.00 175.55 176.42 2nx5 n GLN 25 N 2.64 4.55 -4.94 -3.49 7.27 -1.24 -4.60 117.38 117.56 2nx5 n GLN 25 Ca -0.15 -4.74 -0.29 0.00 0.07 0.00 0.00 57.00 51.89 2nx5 n GLN 25 Cb 0.53 -2.38 -0.15 0.00 2.41 0.00 0.00 30.24 30.65 2nx5 n GLN 25 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2nx5 s THR 26 N -4.31 1.91 0.56 1.69 -1.32 -1.26 -4.65 115.64 108.26 2nx5 s THR 26 Ca 0.43 -1.19 0.06 0.00 -1.21 0.00 0.00 61.69 59.78 2nx5 s THR 26 Cb 0.22 -1.62 0.07 0.00 -1.51 0.00 0.00 72.50 69.66 2nx5 s THR 26 CO -0.12 0.39 0.77 -0.94 -2.21 0.00 0.00 174.62 172.50 2nx5 s SER 27 N -0.96 5.13 -0.05 8.08 1.04 -1.26 -4.55 113.70 121.13 2nx5 s SER 27 Ca 0.10 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2nx5 s SER 27 Cb -0.09 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2nx5 s SER 27 CO 0.01 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.57 2nx5 n GLY 28 N -2.26 0.25 3.71 7.32 0.00 -1.26 -4.45 105.19 108.50 2nx5 n GLY 28 Ca 0.13 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2nx5 n GLY 28 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2nx5 n PHE 29 N -2.42 2.73 -2.68 1.61 7.35 -1.26 -0.70 117.46 122.10 2nx5 n PHE 29 Ca -0.00 -0.02 -0.08 0.00 -0.76 0.00 0.00 57.45 56.58 2nx5 n PHE 29 Cb 0.30 -2.70 0.03 0.00 0.35 0.00 0.00 39.48 37.47 2nx5 n PHE 29 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2nx5 n ASN 30 N 4.47 1.73 0.00 -2.13 2.85 0.66 -4.94 115.26 117.90 2nx5 n ASN 30 Ca 0.17 -2.64 0.00 0.00 -0.11 0.00 0.00 54.58 52.00 2nx5 n ASN 30 Cb 0.36 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.87 2nx5 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2nx5 n GLY 31 N -0.22 3.11 2.96 8.20 0.00 -1.24 -4.69 105.19 113.31 2nx5 n GLY 31 Ca 0.11 -1.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 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 1.55 0.14 0.99 0.20 0.72 -1.36 118.68 120.91 2nx5 s LEU 32 Ca 0.00 -0.20 0.06 0.00 0.69 0.00 0.00 54.13 54.68 2nx5 s LEU 32 Cb 0.00 -0.60 -0.04 0.00 -0.43 0.00 0.00 46.19 45.12 2nx5 s LEU 32 CO 0.00 0.00 0.04 -0.36 -0.29 0.00 0.00 176.35 175.75 2nx5 s PHE 33 N 0.65 3.00 -0.08 5.38 0.08 -0.12 -1.12 117.98 125.77 2nx5 s PHE 33 Ca -0.11 -0.05 0.05 0.00 0.12 0.00 0.00 56.93 56.94 2nx5 s PHE 33 Cb -0.14 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2nx5 s PHE 33 CO 0.02 0.51 -0.24 -1.58 -0.10 0.00 0.00 175.22 173.82 2nx5 s TRP 34 N -1.58 2.52 0.11 0.36 0.52 -0.63 -1.91 118.94 118.33 2nx5 s TRP 34 Ca 0.28 -0.87 0.08 0.00 0.02 0.00 0.00 56.10 55.61 2nx5 s TRP 34 Cb -0.10 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 2nx5 s TRP 34 CO 0.20 -0.31 -0.20 0.71 0.02 0.00 0.00 176.95 177.37 2nx5 s TYR 35 N 0.09 1.77 -0.15 -1.98 2.02 -0.82 -0.20 117.35 118.08 2nx5 s TYR 35 Ca -0.11 -0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 56.11 2nx5 s TYR 35 Cb -0.16 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2nx5 s TYR 35 CO 0.06 0.21 0.06 -1.14 -1.57 0.00 0.00 175.55 173.17 2nx5 s GLN 36 N -1.98 3.65 -0.14 -0.62 0.74 -0.36 -0.84 119.66 120.10 2nx5 s GLN 36 Ca 0.07 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.14 2nx5 s GLN 36 Cb -0.10 -3.10 0.04 0.00 1.10 0.00 0.00 33.01 30.95 2nx5 s GLN 36 CO 0.04 0.45 -0.01 -1.14 -0.55 0.00 0.00 175.29 174.08 2nx5 s GLN 37 N -0.15 0.99 0.63 1.67 0.74 -0.04 0.08 119.66 123.59 2nx5 s GLN 37 Ca 0.07 -0.30 -0.14 0.00 0.05 0.00 0.00 55.36 55.04 2nx5 s GLN 37 Cb -0.12 -1.73 -0.02 0.00 1.10 0.00 0.00 33.01 32.24 2nx5 s GLN 37 CO 0.01 -0.45 1.05 -1.01 -0.55 0.00 0.00 175.29 174.35 2nx5 s HIS 38 N 1.79 3.08 -0.44 1.67 3.76 -1.26 -0.30 115.29 123.59 2nx5 s HIS 38 Ca 0.02 1.47 -0.44 0.00 -0.15 0.00 0.00 55.06 55.96 2nx5 s HIS 38 Cb -0.15 -2.94 -0.18 0.00 1.11 0.00 0.00 32.58 30.42 2nx5 s HIS 38 CO -0.07 -1.09 1.82 0.00 -0.85 0.00 0.00 174.74 174.54 2nx5 n ALA 39 N -2.42 -0.52 0.00 -1.40 0.00 -1.26 -2.33 120.51 112.58 2nx5 n ALA 39 Ca 0.08 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2nx5 n ALA 39 Cb 0.53 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2nx5 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nx5 n GLY 40 N 5.17 1.96 0.00 0.00 0.00 -1.26 -4.97 105.19 106.09 2nx5 n GLY 40 Ca 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2nx5 n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nx5 n GLU 41 N 0.00 0.16 -2.86 1.61 0.28 -0.99 -4.99 120.64 113.85 2nx5 n GLU 41 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 2nx5 n GLU 41 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 2nx5 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2nx5 s ALA 42 N -3.14 3.39 0.12 -1.84 0.00 -1.26 -4.60 121.76 114.43 2nx5 s ALA 42 Ca 0.00 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.15 2nx5 s ALA 42 Cb 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 2nx5 s ALA 42 CO 0.00 0.24 1.32 -2.14 0.00 0.00 0.00 175.76 175.18 2nx5 s PRO 43 N -1.11 4.37 -0.03 0.00 0.02 -1.26 -4.45 135.00 132.53 2nx5 s PRO 43 Ca 0.39 1.99 0.07 0.00 0.02 0.00 0.00 61.00 63.47 2nx5 s PRO 43 Cb -0.25 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.00 2nx5 s PRO 43 CO 0.29 -0.34 -0.25 0.95 -0.33 0.00 0.00 177.00 177.32 2nx5 s THR 44 N 0.84 2.16 0.42 0.99 -4.23 0.11 -4.92 115.64 111.00 2nx5 s THR 44 Ca 0.61 -1.06 -0.24 0.00 -1.18 0.00 0.00 61.69 59.82 2nx5 s THR 44 Cb -0.35 -1.76 -0.11 0.00 1.34 0.00 0.00 72.50 71.63 2nx5 s THR 44 CO 0.32 0.58 1.03 0.33 -0.54 0.00 0.00 174.62 176.34 2nx5 n PHE 45 N 2.55 1.26 0.03 3.99 7.35 -1.26 -1.23 117.46 130.15 2nx5 n PHE 45 Ca -0.16 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 2nx5 n PHE 45 Cb 0.51 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 38.10 2nx5 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2nx5 n LEU 46 N 0.50 0.60 -3.82 -2.13 4.77 0.72 -4.78 117.00 112.86 2nx5 n LEU 46 Ca 0.09 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2nx5 n LEU 46 Cb 0.39 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2nx5 n LEU 46 CO 0.57 -0.44 -0.07 -0.44 -1.33 0.00 0.00 177.39 175.68 2nx5 s SER 47 N -5.54 0.01 -0.08 -1.43 0.01 -1.10 -4.99 113.70 100.59 2nx5 s SER 47 Ca 0.00 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.91 2nx5 s SER 47 Cb 0.00 0.31 0.01 0.00 0.21 0.00 0.00 66.02 66.56 2nx5 s SER 47 CO 0.00 -0.60 -0.13 -0.47 0.41 0.00 0.00 173.24 172.45 2nx5 s TYR 48 N -2.77 1.62 -0.03 2.43 5.04 -1.26 -1.61 117.35 120.77 2nx5 s TYR 48 Ca -0.03 -0.64 0.04 0.00 -2.44 0.00 0.00 57.07 54.00 2nx5 s TYR 48 Cb -0.00 -1.18 -0.01 0.00 0.35 0.00 0.00 41.96 41.12 2nx5 s TYR 48 CO -0.05 -0.33 -0.16 -0.80 -1.34 0.00 0.00 175.55 172.88 2nx5 s ASN 49 N 0.73 1.94 0.00 4.32 0.01 -0.27 -4.98 114.94 116.69 2nx5 s ASN 49 Ca -0.13 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 2nx5 s ASN 49 Cb -0.16 -0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.09 2nx5 s ASN 49 CO 0.03 0.16 0.00 0.55 -1.51 0.00 0.00 177.10 176.33 2nx5 n VAL 50 N 2.98 0.00 -4.44 1.60 3.14 -1.26 -0.20 118.33 120.15 2nx5 n VAL 50 Ca -0.17 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 60.90 2nx5 n VAL 50 Cb 0.54 0.18 -0.11 0.00 -1.06 0.00 0.00 33.84 33.39 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 0.00 2.97 0.37 6.55 1.43 -1.26 -4.82 118.68 123.92 2nx5 s LEU 51 Ca 0.00 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 2nx5 s LEU 51 Cb 0.00 -1.74 -0.12 0.00 0.03 0.00 0.00 46.19 44.36 2nx5 s LEU 51 CO 0.00 0.24 1.09 0.47 0.23 0.00 0.00 176.35 178.38 2nx5 n ASP 52 N 1.27 1.69 0.00 2.29 8.00 -1.26 -4.75 116.55 123.80 2nx5 n ASP 52 Ca -0.15 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.47 2nx5 n ASP 52 Cb 0.52 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 2nx5 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nx5 n GLY 53 N 1.07 0.07 2.79 0.44 0.00 -1.02 -4.97 105.19 103.57 2nx5 n GLY 53 Ca 0.08 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 2.91 -0.28 0.99 0.20 -1.26 -2.31 118.68 118.94 2nx5 s LEU 54 Ca 0.00 -2.06 -0.16 0.00 0.69 0.00 0.00 54.13 52.60 2nx5 s LEU 54 Cb 0.00 -1.08 -0.03 0.00 -0.43 0.00 0.00 46.19 44.65 2nx5 s LEU 54 CO 0.00 -0.36 0.42 -1.83 -0.29 0.00 0.00 176.35 174.29 2nx5 s GLU 55 N 1.07 3.99 0.14 1.98 -1.05 -0.68 -4.92 118.70 119.23 2nx5 s GLU 55 Ca 0.12 0.09 -0.19 0.00 -0.15 0.00 0.00 54.97 54.85 2nx5 s GLU 55 Cb -0.20 -3.67 -0.07 0.00 -0.44 0.00 0.00 34.13 29.75 2nx5 s GLU 55 CO -0.14 -0.33 0.63 -2.00 0.95 0.00 0.00 175.26 174.37 2nx5 s GLU 56 N 2.16 4.20 -0.40 -4.83 2.12 -1.26 -2.28 118.70 118.41 2nx5 s GLU 56 Ca 0.17 0.76 0.09 0.00 0.36 0.00 0.00 54.97 56.35 2nx5 s GLU 56 Cb -0.16 -3.07 0.30 0.00 0.26 0.00 0.00 34.13 31.46 2nx5 s GLU 56 CO 0.10 0.53 0.74 1.17 -0.54 0.00 0.00 175.26 177.26 2nx5 n LYS 57 N 1.22 0.87 0.00 4.30 4.81 0.58 -5.00 118.16 124.94 2nx5 n LYS 57 Ca -0.06 -2.91 0.00 0.00 -0.87 0.00 0.00 58.31 54.47 2nx5 n LYS 57 Cb 0.51 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.14 2nx5 n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nx5 n GLY 58 N 0.82 1.67 0.21 3.14 0.00 -1.26 -3.23 105.19 106.53 2nx5 n GLY 58 Ca 0.19 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.71 2nx5 n GLY 58 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nx5 h ARG 61 N 0.00 0.00 -5.15 1.61 3.08 -1.94 -3.44 114.38 108.54 2nx5 h ARG 61 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2nx5 h ARG 61 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 2nx5 h ARG 61 CO 0.00 0.25 -0.53 -0.06 -1.07 0.00 0.00 179.97 178.56 2nx5 s PHE 62 N -3.60 3.29 0.08 3.04 0.40 -1.20 -0.55 117.98 119.43 2nx5 s PHE 62 Ca 0.01 0.14 0.09 0.00 -0.60 0.00 0.00 56.93 56.57 2nx5 s PHE 62 Cb 0.10 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 2nx5 s PHE 62 CO 0.65 0.08 -0.22 -1.12 0.70 0.00 0.00 175.22 175.31 2nx5 s SER 63 N 0.84 3.56 -0.00 1.36 0.01 -0.21 -0.31 113.70 118.94 2nx5 s SER 63 Ca 0.06 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.82 2nx5 s SER 63 Cb -0.13 -0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 2nx5 s SER 63 CO 0.02 0.22 -0.20 -0.44 0.41 0.00 0.00 173.24 173.26 2nx5 s SER 64 N -1.68 2.35 -0.02 2.44 0.01 -0.97 -0.68 113.70 115.16 2nx5 s SER 64 Ca 0.14 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.04 2nx5 s SER 64 Cb -0.10 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 2nx5 s SER 64 CO 0.06 0.22 -0.10 0.12 0.41 0.00 0.00 173.24 173.95 2nx5 s PHE 65 N -0.54 0.99 0.00 2.43 5.36 -0.47 -1.69 117.98 124.07 2nx5 s PHE 65 Ca 0.08 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 2nx5 s PHE 65 Cb -0.08 -0.67 -0.01 0.00 -0.34 0.00 0.00 43.02 41.93 2nx5 s PHE 65 CO -0.00 -0.06 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.47 2nx5 s LEU 66 N -0.05 2.06 -0.28 6.12 2.96 -0.98 -0.99 118.68 127.52 2nx5 s LEU 66 Ca 0.01 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2nx5 s LEU 66 Cb -0.06 -0.26 0.09 0.00 0.50 0.00 0.00 46.19 46.46 2nx5 s LEU 66 CO 0.00 0.01 0.08 -0.55 -1.32 0.00 0.00 176.35 174.57 2nx5 s SER 67 N -0.41 3.80 0.24 3.68 0.15 0.10 -2.44 113.70 118.82 2nx5 s SER 67 Ca -0.00 -1.45 -0.05 0.00 0.70 0.00 0.00 55.95 55.16 2nx5 s SER 67 Cb -0.04 -0.82 0.27 0.00 -1.71 0.00 0.00 66.02 63.72 2nx5 s SER 67 CO -0.00 -0.38 1.79 0.03 1.20 0.00 0.00 173.24 175.88 2nx5 h ARG 68 N 8.12 1.01 0.00 5.44 3.08 -1.94 0.08 114.38 130.16 2nx5 h ARG 68 Ca -0.15 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 2nx5 h ARG 68 Cb 1.04 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 2nx5 h ARG 68 CO 0.44 0.87 -0.09 0.77 -1.07 0.00 0.00 179.97 180.89 2nx5 h SER 69 N 0.98 0.00 -0.03 7.04 0.02 -1.96 -2.83 113.55 116.77 2nx5 h SER 69 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2nx5 h SER 69 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2nx5 h SER 69 CO -0.01 0.09 0.00 0.29 -1.14 0.00 0.00 176.83 176.06 2nx5 n LYS 70 N -4.21 0.64 -3.35 3.45 5.02 -1.16 -5.04 118.16 113.50 2nx5 n LYS 70 Ca -0.03 -0.99 -0.19 0.00 -2.02 0.00 0.00 58.31 55.09 2nx5 n LYS 70 Cb 0.17 -1.05 0.06 0.00 -0.02 0.00 0.00 35.03 34.20 2nx5 n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nx5 n GLY 71 N -0.02 -1.09 3.08 0.72 0.00 -0.05 -4.92 105.19 102.91 2nx5 n GLY 71 Ca 0.02 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.41 -0.21 -0.12 1.61 5.04 -0.82 -2.37 117.35 117.08 2nx5 s TYR 72 Ca 0.44 0.52 -0.12 0.00 -2.44 0.00 0.00 57.07 55.47 2nx5 s TYR 72 Cb -0.08 0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.34 2nx5 s TYR 72 CO 0.77 -0.11 0.34 0.45 -1.34 0.00 0.00 175.55 175.66 2nx5 s SER 73 N 0.06 -0.34 0.08 4.32 0.15 0.33 0.00 113.70 118.30 2nx5 s SER 73 Ca -0.00 0.62 0.05 0.00 0.70 0.00 0.00 55.95 57.31 2nx5 s SER 73 Cb -0.02 0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 2nx5 s SER 73 CO 0.00 -0.16 -0.13 -0.72 1.20 0.00 0.00 173.24 173.43 2nx5 s TYR 74 N -0.01 1.17 -0.15 3.44 -0.85 -0.16 0.30 117.35 121.09 2nx5 s TYR 74 Ca -0.02 -0.52 -0.03 0.00 -0.52 0.00 0.00 57.07 55.98 2nx5 s TYR 74 Cb -0.03 -0.65 -0.03 0.00 0.38 0.00 0.00 41.96 41.64 2nx5 s TYR 74 CO 0.01 0.05 -0.04 -1.17 -1.52 0.00 0.00 175.55 172.87 2nx5 s LEU 75 N -2.01 3.22 -0.19 -3.49 2.96 -0.30 -1.36 118.68 117.51 2nx5 s LEU 75 Ca 0.01 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2nx5 s LEU 75 Cb -0.08 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.87 2nx5 s LEU 75 CO 0.02 0.19 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.84 2nx5 s LEU 76 N 0.25 2.28 -0.33 -0.68 2.96 0.14 0.05 118.68 123.35 2nx5 s LEU 76 Ca -0.03 -0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 53.08 2nx5 s LEU 76 Cb -0.14 -1.44 0.05 0.00 0.50 0.00 0.00 46.19 45.16 2nx5 s LEU 76 CO 0.03 -0.04 0.07 -0.76 -1.32 0.00 0.00 176.35 174.32 2nx5 s LEU 77 N 1.29 4.19 0.44 -0.68 1.43 -0.45 -1.05 118.68 123.85 2nx5 s LEU 77 Ca 0.03 -1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 51.86 2nx5 s LEU 77 Cb -0.14 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2nx5 s LEU 77 CO -0.11 -0.31 0.71 -0.54 0.23 0.00 0.00 176.35 176.33 2nx5 s LYS 78 N 1.33 3.49 -1.00 1.70 1.02 0.29 -2.31 119.74 124.27 2nx5 s LYS 78 Ca -0.03 0.00 -0.15 0.00 0.02 0.00 0.00 55.97 55.81 2nx5 s LYS 78 Cb -0.20 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.66 2nx5 s LYS 78 CO 0.01 -0.11 0.65 0.39 -0.92 0.00 0.00 175.35 175.37 2nx5 n GLU 79 N -2.11 -0.99 -2.14 1.68 1.02 -1.01 -4.80 120.64 112.28 2nx5 n GLU 79 Ca -0.01 0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 57.20 2nx5 n GLU 79 Cb 0.56 -2.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.39 2nx5 n GLU 79 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2nx5 s LEU 80 N -6.02 4.40 0.49 -4.62 2.96 -0.71 -4.66 118.68 110.51 2nx5 s LEU 80 Ca 0.22 2.46 0.06 0.00 -0.22 0.00 0.00 54.13 56.65 2nx5 s LEU 80 Cb -0.12 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 2nx5 s LEU 80 CO 0.92 -0.61 0.28 -1.10 -1.32 0.00 0.00 176.35 174.52 2nx5 s GLN 81 N 0.12 2.26 0.20 1.98 -0.21 -1.26 0.42 119.66 123.17 2nx5 s GLN 81 Ca 0.59 -1.98 -0.06 0.00 0.02 0.00 0.00 55.36 53.94 2nx5 s GLN 81 Cb -0.38 -2.01 0.13 0.00 1.00 0.00 0.00 33.01 31.75 2nx5 s GLN 81 CO 0.38 -0.39 1.58 0.52 -2.12 0.00 0.00 175.29 175.26 2nx5 h MET 82 N 1.07 0.80 0.00 2.91 2.86 -1.96 -2.95 114.93 117.65 2nx5 h MET 82 Ca -0.40 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 56.86 2nx5 h MET 82 Cb 1.29 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2nx5 h MET 82 CO 0.64 0.98 -0.12 1.57 1.06 0.00 0.00 176.91 181.04 2nx5 h LYS 83 N 0.68 0.00 0.00 1.72 2.10 -1.97 -2.57 116.57 116.53 2nx5 h LYS 83 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2nx5 h LYS 83 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 2nx5 h LYS 83 CO 0.07 0.12 0.00 -0.44 -2.00 0.00 0.00 179.45 177.20 2nx5 h ASP 84 N 0.00 0.00 -2.35 7.07 3.32 -1.93 -3.41 116.42 119.12 2nx5 h ASP 84 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2nx5 h ASP 84 Cb 0.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2nx5 h ASP 84 CO 0.02 0.00 1.26 -0.55 -1.72 0.00 0.00 179.24 178.24 2nx5 s SER 85 N -5.03 6.31 -0.07 6.45 0.15 -0.97 -4.83 113.70 115.71 2nx5 s SER 85 Ca -0.04 2.46 -0.30 0.00 0.70 0.00 0.00 55.95 58.78 2nx5 s SER 85 Cb 0.11 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 2nx5 s SER 85 CO 0.40 -1.19 1.34 0.00 1.20 0.00 0.00 173.24 174.98 2nx5 s ALA 86 N 5.06 -2.69 0.14 5.45 0.00 -1.17 -4.80 121.76 123.75 2nx5 s ALA 86 Ca 0.88 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 2nx5 s ALA 86 Cb -0.39 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2nx5 s ALA 86 CO 0.39 -1.17 0.31 0.45 0.00 0.00 0.00 175.76 175.74 2nx5 s SER 87 N -3.91 6.38 -0.10 0.00 0.15 0.59 -0.98 113.70 115.83 2nx5 s SER 87 Ca 0.31 0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.33 2nx5 s SER 87 Cb -0.00 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.33 2nx5 s SER 87 CO -0.02 0.06 -0.19 -0.31 1.20 0.00 0.00 173.24 173.98 2nx5 s TYR 88 N -1.70 2.21 -0.12 3.44 2.02 0.19 -0.86 117.35 122.52 2nx5 s TYR 88 Ca 0.37 -0.98 -0.02 0.00 -0.37 0.00 0.00 57.07 56.07 2nx5 s TYR 88 Cb -0.12 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 2nx5 s TYR 88 CO 0.28 -0.45 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.25 2nx5 s LEU 89 N 0.69 3.25 -0.24 -1.29 1.43 -0.02 -1.94 118.68 120.56 2nx5 s LEU 89 Ca -0.12 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 2nx5 s LEU 89 Cb -0.16 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2nx5 s LEU 89 CO 0.03 0.24 0.25 0.00 0.23 0.00 0.00 176.35 177.10 2nx5 s ALA 91 N 1.33 1.67 -0.07 0.00 0.00 -0.80 -0.27 121.76 123.62 2nx5 s ALA 91 Ca 0.11 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2nx5 s ALA 91 Cb -0.14 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.59 2nx5 s ALA 91 CO 0.07 0.40 -0.08 0.08 0.00 0.00 0.00 175.76 176.23 2nx5 s VAL 92 N -0.53 0.90 -0.20 0.00 1.01 -0.23 -0.94 120.40 120.42 2nx5 s VAL 92 Ca 0.08 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 2nx5 s VAL 92 Cb -0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2nx5 s VAL 92 CO -0.00 0.32 0.42 -1.10 0.00 0.00 0.00 175.10 174.73 2nx5 s GLN 93 N 1.03 4.19 0.08 2.72 -0.21 -0.47 -2.15 119.66 124.85 2nx5 s GLN 93 Ca -0.08 0.24 -0.02 0.00 0.02 0.00 0.00 55.36 55.51 2nx5 s GLN 93 Cb -0.14 -3.53 -0.03 0.00 1.00 0.00 0.00 33.01 30.30 2nx5 s GLN 93 CO -0.00 -0.04 0.04 0.00 -2.12 0.00 0.00 175.29 173.17 2nx5 s ALA 94 N 1.30 0.47 0.29 6.09 0.00 -1.25 -0.24 121.76 128.41 2nx5 s ALA 94 Ca 0.20 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2nx5 s ALA 94 Cb -0.15 0.47 0.46 0.00 0.00 0.00 0.00 23.12 23.90 2nx5 s ALA 94 CO 0.08 -0.43 1.92 0.77 0.00 0.00 0.00 175.76 178.11 2nx5 h SER 95 N 3.00 0.97 0.00 0.00 0.02 -1.13 -2.57 113.55 113.84 2nx5 h SER 95 Ca -0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2nx5 h SER 95 Cb 1.17 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2nx5 h SER 95 CO 0.62 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.58 2nx5 n GLY 96 N -1.39 -0.18 0.00 -3.77 0.00 -1.26 -3.45 105.19 95.13 2nx5 n GLY 96 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.14 -0.80 3.82 -0.02 0.00 -1.26 -5.05 105.19 101.74 2nx5 n GLY 97 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.68 -0.06 0.00 1.61 0.15 -1.22 -5.02 113.70 106.48 2nx5 s SER 98 Ca 0.00 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.12 2nx5 s SER 98 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2nx5 s SER 98 CO 0.00 -0.89 1.05 -1.22 1.20 0.00 0.00 173.24 173.38 2nx5 n TYR 102 N -0.61 0.00 -3.55 3.44 4.02 -0.97 -3.90 117.16 115.58 2nx5 n TYR 102 Ca -0.04 -0.52 -0.38 0.00 -0.01 0.00 0.00 57.90 56.95 2nx5 n TYR 102 Cb 0.60 -0.36 -0.09 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.82 5.29 -0.35 -0.72 1.09 -1.26 -4.78 121.20 121.28 2nx5 s ILE 103 Ca 0.00 0.33 -0.40 0.00 -1.10 0.00 0.00 60.65 59.48 2nx5 s ILE 103 Cb 0.00 -3.58 -0.16 0.00 -1.06 0.00 0.00 42.46 37.67 2nx5 s ILE 103 CO 0.00 0.28 1.89 -2.65 -0.10 0.00 0.00 174.94 174.35 2nx5 n PRO 104 N 4.68 0.86 -3.78 2.79 -0.02 -1.26 -4.68 135.00 133.58 2nx5 n PRO 104 Ca -0.13 0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 61.28 2nx5 n PRO 104 Cb 0.52 -2.04 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 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 4.69 4.28 0.06 3.45 2.01 -0.91 -4.85 115.64 124.37 2nx5 s THR 105 Ca 1.05 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.78 2nx5 s THR 105 Cb -1.13 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2nx5 s THR 105 CO 0.64 0.35 0.36 -0.36 -0.69 0.00 0.00 174.62 174.92 2nx5 s PHE 106 N 1.55 3.58 0.72 4.92 0.08 -1.26 -1.07 117.98 126.50 2nx5 s PHE 106 Ca 0.06 0.72 -0.08 0.00 0.12 0.00 0.00 56.93 57.76 2nx5 s PHE 106 Cb -0.15 -2.11 0.16 0.00 -0.57 0.00 0.00 43.02 40.35 2nx5 s PHE 106 CO 0.03 0.54 0.98 0.41 -0.10 0.00 0.00 175.22 177.09 2nx5 n GLY 107 N 0.95 -0.50 0.18 4.36 0.00 0.62 -4.93 105.19 105.89 2nx5 n GLY 107 Ca -0.09 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 2nx5 n GLY 107 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nx5 h ARG 108 N 0.00 0.45 0.00 1.61 3.08 -1.89 -3.44 114.38 114.20 2nx5 h ARG 108 Ca -0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2nx5 h ARG 108 Cb 1.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2nx5 h ARG 108 CO 0.27 0.30 0.00 0.41 -1.07 0.00 0.00 179.97 179.88 2nx5 n GLY 109 N -1.22 2.74 3.17 0.04 0.00 -1.26 -5.04 105.19 103.62 2nx5 n GLY 109 Ca 0.02 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.55 2.31 -0.33 2.61 2.01 -0.82 -4.47 115.64 114.41 2nx5 s THR 110 Ca 0.00 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 60.90 2nx5 s THR 110 Cb 0.00 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.54 2nx5 s THR 110 CO 0.00 0.52 0.81 -0.44 -0.69 0.00 0.00 174.62 174.83 2nx5 s SER 111 N 1.18 6.65 -0.34 3.53 0.01 -0.75 -0.64 113.70 123.34 2nx5 s SER 111 Ca 0.02 0.60 -0.15 0.00 1.31 0.00 0.00 55.95 57.73 2nx5 s SER 111 Cb -0.14 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2nx5 s SER 111 CO -0.08 -0.68 0.36 -0.22 0.41 0.00 0.00 173.24 173.03 2nx5 s LEU 112 N 3.08 4.43 -0.42 2.44 2.96 -0.15 -0.60 118.68 130.42 2nx5 s LEU 112 Ca 0.33 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 2nx5 s LEU 112 Cb -0.14 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.23 2nx5 s LEU 112 CO 0.14 -0.33 0.56 -0.63 -1.32 0.00 0.00 176.35 174.77 2nx5 s ILE 113 N 2.02 4.94 -0.49 6.68 1.01 -0.31 -3.05 121.20 132.00 2nx5 s ILE 113 Ca 0.12 -0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.54 2nx5 s ILE 113 Cb -0.17 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.23 2nx5 s ILE 113 CO 0.12 -0.48 0.80 -0.69 0.00 0.00 0.00 174.94 174.69 2nx5 s VAL 114 N 2.53 4.61 0.05 2.92 1.01 -1.26 -1.78 120.40 128.48 2nx5 s VAL 114 Ca 0.19 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 2nx5 s VAL 114 Cb -0.15 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2nx5 s VAL 114 CO 0.16 -0.87 1.01 -1.00 0.00 0.00 0.00 175.10 174.40 2nx5 s HIS 115 N 3.38 3.68 0.36 5.22 3.76 0.41 -4.86 115.29 127.24 2nx5 s HIS 115 Ca 0.27 1.68 -0.25 0.00 -0.15 0.00 0.00 55.06 56.61 2nx5 s HIS 115 Cb -0.14 -3.14 -0.09 0.00 1.11 0.00 0.00 32.58 30.32 2nx5 s HIS 115 CO 0.19 -0.13 1.01 -1.25 -0.85 0.00 0.00 174.74 173.72 2nx5 s PRO 116 N 0.60 4.35 -0.37 8.40 0.04 -1.26 -0.15 135.00 146.61 2nx5 s PRO 116 Ca 0.51 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.73 2nx5 s PRO 116 Cb -0.23 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.65 2nx5 s PRO 116 CO 0.29 0.04 1.05 -0.47 0.04 0.00 0.00 177.00 177.95 2nx5 s TYR 117 N -1.62 3.04 -0.49 0.56 5.04 -1.26 -4.50 117.35 118.13 2nx5 s TYR 117 Ca 0.54 0.95 -0.18 0.00 -2.44 0.00 0.00 57.07 55.94 2nx5 s TYR 117 Cb -0.21 -3.87 0.05 0.00 0.35 0.00 0.00 41.96 38.28 2nx5 s TYR 117 CO 0.27 -0.91 0.57 0.42 -1.34 0.00 0.00 175.55 174.55 2nx5 s ILE 118 N 3.81 4.95 0.06 3.14 1.09 -1.26 -4.96 121.20 128.03 2nx5 s ILE 118 Ca 0.44 -0.53 -0.24 0.00 -1.10 0.00 0.00 60.65 59.22 2nx5 s ILE 118 Cb -0.11 -4.24 -0.17 0.00 -1.06 0.00 0.00 42.46 36.89 2nx5 s ILE 118 CO 0.20 -0.71 1.61 -0.61 -0.10 0.00 0.00 174.94 175.33 2nx5 h GLN 119 N 8.92 -0.02 -3.15 2.79 4.15 -1.96 -3.38 115.11 122.47 2nx5 h GLN 119 Ca -0.27 0.00 -0.63 0.00 0.77 0.00 0.00 58.65 58.52 2nx5 h GLN 119 Cb 1.10 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.38 2nx5 h GLN 119 CO 0.93 0.12 -0.61 -0.80 -1.93 0.00 0.00 178.83 176.54 2nx5 s ASN 120 N -5.31 4.52 0.26 -0.69 0.01 -1.26 -5.09 114.94 107.37 2nx5 s ASN 120 Ca -0.14 -3.53 -0.30 0.00 -0.71 0.00 0.00 52.86 48.19 2nx5 s ASN 120 Cb 0.05 -1.58 -0.10 0.00 0.41 0.00 0.00 41.25 40.03 2nx5 s ASN 120 CO 0.66 -0.14 1.49 -2.16 -1.51 0.00 0.00 177.10 175.45 2nx5 s PRO 121 N -0.98 4.22 -0.45 -0.60 0.04 -1.26 -4.97 135.00 131.00 2nx5 s PRO 121 Ca 0.22 2.39 0.08 0.00 0.04 0.00 0.00 61.00 63.73 2nx5 s PRO 121 Cb -0.12 -3.09 0.25 0.00 0.04 0.00 0.00 34.50 31.58 2nx5 s PRO 121 CO -0.11 -0.50 0.57 -3.47 0.04 0.00 0.00 177.00 173.54 2nx5 n ASP 122 N 2.41 1.01 -4.62 6.66 -0.08 -0.09 -5.03 116.55 116.82 2nx5 n ASP 122 Ca 0.08 -2.87 -0.43 0.00 -1.51 0.00 0.00 54.79 50.06 2nx5 n ASP 122 Cb 0.39 -0.65 -0.03 0.00 2.34 0.00 0.00 41.12 43.18 2nx5 n ASP 122 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 2nx5 s PRO 123 N -1.48 3.51 -0.01 -0.67 0.02 -1.23 -4.59 135.00 130.56 2nx5 s PRO 123 Ca 0.36 2.11 -0.01 0.00 0.02 0.00 0.00 61.00 63.48 2nx5 s PRO 123 Cb 0.16 -4.26 0.01 0.00 0.02 0.00 0.00 34.50 30.43 2nx5 s PRO 123 CO -0.09 -1.66 0.04 0.00 -0.33 0.00 0.00 177.00 174.96 2nx5 s ALA 124 N 6.74 -0.08 -0.21 -1.55 0.00 -1.13 -5.00 121.76 120.52 2nx5 s ALA 124 Ca 0.92 0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 2nx5 s ALA 124 Cb -0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2nx5 s ALA 124 CO 0.36 -0.02 0.08 0.08 0.00 0.00 0.00 175.76 176.26 2nx5 s VAL 125 N 0.08 4.73 -0.07 0.00 1.01 -1.26 -2.07 120.40 122.83 2nx5 s VAL 125 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2nx5 s VAL 125 Cb -0.01 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2nx5 s VAL 125 CO -0.00 0.40 -0.19 -0.31 0.00 0.00 0.00 175.10 175.00 2nx5 s TYR 126 N 0.85 2.04 -0.05 5.22 2.02 -0.32 -4.88 117.35 122.23 2nx5 s TYR 126 Ca 0.04 -0.74 -0.22 0.00 -0.37 0.00 0.00 57.07 55.79 2nx5 s TYR 126 Cb -0.14 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2nx5 s TYR 126 CO 0.02 -0.30 0.63 -1.14 -1.57 0.00 0.00 175.55 173.20 2nx5 s GLN 127 N 0.30 4.39 0.17 -0.62 0.74 -1.26 0.05 119.66 123.43 2nx5 s GLN 127 Ca -0.12 0.77 0.08 0.00 0.05 0.00 0.00 55.36 56.14 2nx5 s GLN 127 Cb -0.15 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 2nx5 s GLN 127 CO 0.05 0.18 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.44 2nx5 s LEU 128 N 0.42 3.21 0.17 3.68 1.02 0.16 -4.99 118.68 122.35 2nx5 s LEU 128 Ca 0.34 -0.44 0.07 0.00 0.02 0.00 0.00 54.13 54.12 2nx5 s LEU 128 Cb -0.18 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 2nx5 s LEU 128 CO 0.17 0.10 -0.02 -0.13 0.02 0.00 0.00 176.35 176.48 2nx5 s ARG 129 N -2.87 2.33 -0.04 1.70 0.52 -1.26 -2.79 118.95 116.53 2nx5 s ARG 129 Ca 0.26 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 2nx5 s ARG 129 Cb -0.09 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2nx5 s ARG 129 CO 0.17 0.46 1.20 0.34 0.02 0.00 0.00 175.30 177.49 2nx5 s ASP 130 N -2.85 7.06 0.00 0.23 2.15 -1.15 -4.97 116.67 117.14 2nx5 s ASP 130 Ca 0.26 1.83 0.00 0.00 0.43 0.00 0.00 52.55 55.08 2nx5 s ASP 130 Cb -0.09 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2nx5 s ASP 130 CO 0.18 -0.56 0.00 -0.24 -0.17 0.00 0.00 175.17 174.37 2nx5 n SER 131 N 5.02 0.00 -4.84 -0.34 2.88 -1.26 -5.00 113.62 110.08 2nx5 n SER 131 Ca 0.11 0.02 -0.37 0.00 -1.33 0.00 0.00 58.87 57.30 2nx5 n SER 131 Cb 0.46 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 2nx5 n SER 131 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2nx5 s LYS 132 N -0.35 3.68 2.68 -1.46 2.47 -1.26 -4.96 119.74 120.54 2nx5 s LYS 132 Ca 0.00 -0.07 0.00 0.00 -1.56 0.00 0.00 55.97 54.34 2nx5 s LYS 132 Cb 0.00 -3.25 0.00 0.00 -1.46 0.00 0.00 37.83 33.12 2nx5 s LYS 132 CO 0.00 0.65 0.00 0.43 0.16 0.00 0.00 175.35 176.59 2nx5 n SER 133 N 2.34 0.00 -4.15 1.43 7.64 -1.26 -5.00 113.62 114.62 2nx5 n SER 133 Ca -0.18 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.54 2nx5 n SER 133 Cb 0.54 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.63 2nx5 n SER 133 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2nx5 s SER 134 N -4.00 1.41 0.00 6.43 0.01 -1.26 -5.07 113.70 111.22 2nx5 s SER 134 Ca 0.00 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2nx5 s SER 134 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2nx5 s SER 134 CO 0.00 -0.17 0.00 -0.67 0.41 0.00 0.00 173.24 172.81 2nx5 n ASP 135 N 1.06 0.00 0.00 2.44 2.03 -1.26 -5.07 116.55 115.75 2nx5 n ASP 135 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 2nx5 n ASP 135 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2nx5 n ASP 135 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2nx5 n LYS 136 N 0.00 0.00 -4.03 -0.67 4.76 -1.26 -5.08 118.16 111.88 2nx5 n LYS 136 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2nx5 n LYS 136 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 2nx5 n LYS 136 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2nx5 s SER 137 N -0.50 0.26 -0.04 4.39 1.04 -1.26 -2.92 113.70 114.68 2nx5 s SER 137 Ca 0.00 -1.16 -0.02 0.00 0.48 0.00 0.00 55.95 55.25 2nx5 s SER 137 Cb 0.00 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.75 2nx5 s SER 137 CO 0.00 -1.20 0.08 -0.69 0.98 0.00 0.00 173.24 172.41 2nx5 s VAL 138 N -3.61 -0.02 -0.21 5.02 1.01 -1.12 -4.55 120.40 116.92 2nx5 s VAL 138 Ca 0.26 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 2nx5 s VAL 138 Cb -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 2nx5 s VAL 138 CO 0.13 0.04 0.22 0.00 0.00 0.00 0.00 175.10 175.49 2nx5 s LEU 140 N 0.83 4.30 -0.61 0.00 2.96 0.11 0.09 118.68 126.37 2nx5 s LEU 140 Ca 0.11 -1.42 -0.23 0.00 -0.22 0.00 0.00 54.13 52.38 2nx5 s LEU 140 Cb -0.13 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.84 2nx5 s LEU 140 CO 0.03 -0.34 0.93 0.12 -1.32 0.00 0.00 176.35 175.77 2nx5 s PHE 141 N 1.26 2.75 0.46 5.38 5.36 -0.55 -1.18 117.98 131.45 2nx5 s PHE 141 Ca -0.01 -0.36 0.04 0.00 -0.96 0.00 0.00 56.93 55.64 2nx5 s PHE 141 Cb -0.20 -4.15 -0.04 0.00 -0.34 0.00 0.00 43.02 38.28 2nx5 s PHE 141 CO -0.01 -1.49 0.04 -0.08 -1.46 0.00 0.00 175.22 172.22 2nx5 s THR 142 N 3.90 1.66 -1.41 0.12 -1.32 -0.88 -0.17 115.64 117.53 2nx5 s THR 142 Ca 0.24 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 2nx5 s THR 142 Cb -0.16 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 2nx5 s THR 142 CO 0.13 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.01 2nx5 n ASP 143 N -1.16 -4.53 -4.74 8.08 8.00 -0.33 -2.86 116.55 119.01 2nx5 n ASP 143 Ca -0.10 0.33 -0.27 0.00 0.71 0.00 0.00 54.79 55.45 2nx5 n ASP 143 Cb 0.67 -3.79 0.10 0.00 -0.02 0.00 0.00 41.12 38.08 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 -2.08 2.56 0.61 1.24 -0.12 -1.26 -0.91 117.98 118.01 2nx5 s PHE 144 Ca 0.00 0.45 -0.07 0.00 -0.05 0.00 0.00 56.93 57.26 2nx5 s PHE 144 Cb 0.00 -3.45 0.00 0.00 -0.63 0.00 0.00 43.02 38.94 2nx5 s PHE 144 CO 0.00 -1.79 0.94 0.16 -0.05 0.00 0.00 175.22 174.48 2nx5 s ASP 145 N -4.63 5.64 0.60 1.98 3.84 -1.26 -4.19 116.67 118.65 2nx5 s ASP 145 Ca 0.64 0.84 0.36 0.00 -0.00 0.00 0.00 52.55 54.39 2nx5 s ASP 145 Cb -0.09 -1.82 1.93 0.00 -1.38 0.00 0.00 42.92 41.56 2nx5 s ASP 145 CO 0.48 -1.08 2.22 0.28 -0.00 0.00 0.00 175.17 177.07 2nx5 h SER 146 N -0.25 0.00 0.94 2.11 0.02 -1.95 -2.57 113.55 111.86 2nx5 h SER 146 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2nx5 h SER 146 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2nx5 h SER 146 CO 0.61 0.03 -0.25 0.00 -1.14 0.00 0.00 176.83 176.09 2nx5 n GLN 147 N -3.38 0.11 -2.34 3.45 1.13 -1.26 -4.88 117.38 110.21 2nx5 n GLN 147 Ca -0.02 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 2nx5 n GLN 147 Cb 0.15 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 28.87 2nx5 n GLN 147 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2nx5 s THR 148 N -3.05 3.90 -0.08 5.09 2.01 -0.97 -5.01 115.64 117.53 2nx5 s THR 148 Ca 0.11 1.32 -0.28 0.00 0.31 0.00 0.00 61.69 63.14 2nx5 s THR 148 Cb 0.16 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 2nx5 s THR 148 CO 0.62 0.04 0.94 0.20 -0.69 0.00 0.00 174.62 175.73 2nx5 s ASN 149 N 1.43 7.21 -0.37 3.53 0.01 -1.26 -5.00 114.94 120.48 2nx5 s ASN 149 Ca 0.60 1.48 -0.09 0.00 -0.71 0.00 0.00 52.86 54.14 2nx5 s ASN 149 Cb -0.30 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 38.88 2nx5 s ASN 149 CO 0.27 -0.35 0.18 -0.69 -1.51 0.00 0.00 177.10 175.00 2nx5 s VAL 150 N 1.59 4.25 0.83 1.60 1.01 -1.26 -5.09 120.40 123.34 2nx5 s VAL 150 Ca 0.47 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2nx5 s VAL 150 Cb -0.19 -3.43 0.10 0.00 0.00 0.00 0.00 36.38 32.86 2nx5 s VAL 150 CO 0.20 -0.27 1.16 -0.44 0.00 0.00 0.00 175.10 175.75 2nx5 s SER 151 N 1.60 3.54 0.72 3.32 0.01 -1.26 -4.91 113.70 116.72 2nx5 s SER 151 Ca 0.01 2.21 -0.11 0.00 1.31 0.00 0.00 55.95 59.37 2nx5 s SER 151 Cb -0.20 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.48 2nx5 s SER 151 CO 0.05 -2.69 1.07 -1.10 0.41 0.00 0.00 173.24 170.97 2nx5 s GLN 152 N -4.42 2.72 0.81 12.44 -1.52 -1.26 -4.92 119.66 123.50 2nx5 s GLN 152 Ca 0.69 0.82 -0.11 0.00 -1.95 0.00 0.00 55.36 54.82 2nx5 s GLN 152 Cb -0.24 -1.98 0.08 0.00 -0.22 0.00 0.00 33.01 30.65 2nx5 s GLN 152 CO 0.53 -1.22 1.10 -1.54 -0.25 0.00 0.00 175.29 173.91 2nx5 s SER 153 N -3.88 4.16 0.51 5.90 1.04 -1.26 -4.95 113.70 115.21 2nx5 s SER 153 Ca 0.59 1.81 0.01 0.00 0.48 0.00 0.00 55.95 58.83 2nx5 s SER 153 Cb -0.14 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.50 2nx5 s SER 153 CO 0.55 -2.25 0.01 -0.54 0.98 0.00 0.00 173.24 171.98 2nx5 s LYS 154 N -4.88 2.19 -0.06 4.02 1.02 -1.25 -4.87 119.74 115.91 2nx5 s LYS 154 Ca 0.62 -2.40 0.00 0.00 0.02 0.00 0.00 55.97 54.21 2nx5 s LYS 154 Cb -0.18 -1.49 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 2nx5 s LYS 154 CO 0.56 -0.37 0.00 -0.40 -0.92 0.00 0.00 175.35 174.22 2nx5 n ASP 155 N -1.28 -0.18 0.00 2.83 5.75 -1.26 -3.25 116.55 119.16 2nx5 n ASP 155 Ca -0.19 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 2nx5 n ASP 155 Cb 0.67 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2nx5 n ASP 155 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2nx5 n SER 156 N 0.87 0.00 -0.62 -1.12 7.64 -1.26 -4.47 113.62 114.67 2nx5 n SER 156 Ca -0.01 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.95 2nx5 n SER 156 Cb 0.03 -0.17 0.06 0.00 -1.01 0.00 0.00 64.21 63.12 2nx5 n SER 156 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nx5 n ASP 157 N 0.10 2.28 -4.36 6.43 10.43 -1.24 -4.90 116.55 125.30 2nx5 n ASP 157 Ca 0.00 -1.64 -0.32 0.00 2.57 0.00 0.00 54.79 55.40 2nx5 n ASP 157 Cb 0.00 0.01 -0.15 0.00 1.84 0.00 0.00 41.12 42.82 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 -1.32 2.53 -0.09 2.53 1.01 -1.20 -3.81 120.40 120.04 2nx5 s VAL 158 Ca 0.18 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2nx5 s VAL 158 Cb 0.13 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2nx5 s VAL 158 CO 0.20 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.34 2nx5 s TYR 159 N -0.37 2.35 -0.07 5.22 2.02 -0.20 -3.83 117.35 122.47 2nx5 s TYR 159 Ca 0.03 -0.93 0.02 0.00 -0.37 0.00 0.00 57.07 55.82 2nx5 s TYR 159 Cb -0.12 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 2nx5 s TYR 159 CO 0.02 -0.38 -0.13 0.42 -1.57 0.00 0.00 175.55 173.91 2nx5 s ILE 160 N 0.36 1.22 0.59 2.71 1.01 -1.26 -1.47 121.20 124.36 2nx5 s ILE 160 Ca -0.17 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 2nx5 s ILE 160 Cb -0.17 -1.12 0.04 0.00 0.01 0.00 0.00 42.46 41.22 2nx5 s ILE 160 CO 0.08 0.38 0.84 0.42 0.00 0.00 0.00 174.94 176.65 2nx5 s THR 161 N 0.75 2.56 0.79 2.92 -4.23 -0.33 -4.30 115.64 113.79 2nx5 s THR 161 Ca -0.13 -0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 59.70 2nx5 s THR 161 Cb -0.16 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.76 2nx5 s THR 161 CO 0.03 0.00 1.17 -0.62 -0.54 0.00 0.00 174.62 174.66 2nx5 s ASP 162 N -4.45 3.85 0.28 3.99 -1.08 -1.26 -4.56 116.67 113.44 2nx5 s ASP 162 Ca 0.58 2.24 -0.30 0.00 -0.52 0.00 0.00 52.55 54.55 2nx5 s ASP 162 Cb -0.10 -2.57 -0.11 0.00 -1.46 0.00 0.00 42.92 38.67 2nx5 s ASP 162 CO 0.40 -2.49 1.52 -0.75 0.52 0.00 0.00 175.17 174.37 2nx5 s LYS 163 N -4.25 4.19 0.01 4.34 2.20 -1.26 -4.57 119.74 120.41 2nx5 s LYS 163 Ca 0.70 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.77 2nx5 s LYS 163 Cb -0.26 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 2nx5 s LYS 163 CO 0.50 -0.53 -0.02 0.00 -0.36 0.00 0.00 175.35 174.94 2nx5 s VAL 165 N -0.86 4.06 0.07 0.00 1.01 -1.26 -1.58 120.40 121.84 2nx5 s VAL 165 Ca -0.09 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.68 2nx5 s VAL 165 Cb -0.06 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2nx5 s VAL 165 CO -0.01 0.51 -0.27 -1.48 0.00 0.00 0.00 175.10 173.86 2nx5 s LEU 166 N 0.10 2.22 -0.27 3.92 0.05 -0.94 -5.01 118.68 118.75 2nx5 s LEU 166 Ca 0.00 -0.64 0.01 0.00 0.05 0.00 0.00 54.13 53.55 2nx5 s LEU 166 Cb -0.13 -1.26 0.08 0.00 -2.05 0.00 0.00 46.19 42.82 2nx5 s LEU 166 CO 0.02 0.23 0.01 -0.62 -0.55 0.00 0.00 176.35 175.44 2nx5 s ASP 167 N -1.50 3.99 -1.01 1.48 2.15 -1.26 -2.73 116.67 117.78 2nx5 s ASP 167 Ca 0.12 -1.43 -0.23 0.00 0.43 0.00 0.00 52.55 51.44 2nx5 s ASP 167 Cb -0.10 -1.14 0.04 0.00 -0.30 0.00 0.00 42.92 41.42 2nx5 s ASP 167 CO 0.03 -0.31 1.52 -0.04 -0.17 0.00 0.00 175.17 176.20 2nx5 s MET 168 N 1.39 3.47 0.12 4.34 -1.94 0.56 -4.90 119.30 122.34 2nx5 s MET 168 Ca 0.01 -1.04 -0.34 0.00 -1.71 0.00 0.00 55.69 52.62 2nx5 s MET 168 Cb -0.18 -5.33 -0.12 0.00 2.01 0.00 0.00 34.83 31.21 2nx5 s MET 168 CO -0.11 -2.36 1.55 0.00 -0.01 0.00 0.00 175.02 174.09 2nx5 h ARG 169 N 9.93 -0.52 -0.70 2.03 3.08 -1.96 0.87 114.38 127.10 2nx5 h ARG 169 Ca 0.19 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.34 2nx5 h ARG 169 Cb 1.01 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 2nx5 h ARG 169 CO 1.40 -0.35 0.46 0.66 -1.07 0.00 0.00 179.97 181.07 2nx5 h SER 170 N -0.54 0.64 0.34 7.04 4.64 -1.97 -0.57 113.55 123.13 2nx5 h SER 170 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2nx5 h SER 170 Cb 0.66 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2nx5 h SER 170 CO -0.47 0.42 -0.18 0.23 -0.87 0.00 0.00 176.83 175.96 2nx5 n MET 171 N -4.48 0.69 -3.38 4.77 2.81 -0.85 -4.94 117.12 111.74 2nx5 n MET 171 Ca 0.10 -0.31 -0.24 0.00 -1.81 0.00 0.00 57.70 55.44 2nx5 n MET 171 Cb 0.22 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 -0.88 -3.94 -4.46 7.83 2.03 0.24 -4.95 116.55 112.42 2nx5 n ASP 172 Ca 0.13 -0.42 -0.33 0.00 0.52 0.00 0.00 54.79 54.69 2nx5 n ASP 172 Cb 0.31 -3.24 -0.13 0.00 -0.72 0.00 0.00 41.12 37.33 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 -2.98 2.88 0.08 -0.67 5.36 -0.97 -4.97 117.98 116.71 2nx5 s PHE 173 Ca 0.41 -0.37 0.08 0.00 -0.96 0.00 0.00 56.93 56.10 2nx5 s PHE 173 Cb -0.22 -1.82 -0.03 0.00 -0.34 0.00 0.00 43.02 40.61 2nx5 s PHE 173 CO 0.51 -0.01 -0.22 0.15 -1.46 0.00 0.00 175.22 174.18 2nx5 s LYS 174 N 0.00 1.31 0.15 10.12 1.02 -1.26 -0.33 119.74 130.75 2nx5 s LYS 174 Ca -0.02 -1.11 -0.16 0.00 0.02 0.00 0.00 55.97 54.70 2nx5 s LYS 174 Cb -0.14 -1.55 0.03 0.00 -0.52 0.00 0.00 37.83 35.65 2nx5 s LYS 174 CO 0.04 0.38 0.43 -1.54 -0.92 0.00 0.00 175.35 173.73 2nx5 s SER 175 N -1.63 -0.22 0.31 2.83 1.04 -1.10 -4.99 113.70 109.94 2nx5 s SER 175 Ca 0.08 -0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 2nx5 s SER 175 Cb -0.10 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 2nx5 s SER 175 CO 0.03 -0.92 0.58 0.20 0.98 0.00 0.00 173.24 174.12 2nx5 s ASN 176 N -2.84 6.45 -0.27 7.02 0.01 -1.26 -2.20 114.94 121.85 2nx5 s ASN 176 Ca 0.06 0.76 -0.22 0.00 -0.71 0.00 0.00 52.86 52.75 2nx5 s ASN 176 Cb 0.01 -2.16 0.07 0.00 0.41 0.00 0.00 41.25 39.58 2nx5 s ASN 176 CO -0.08 -0.23 0.70 -0.94 -1.51 0.00 0.00 177.10 175.05 2nx5 s SER 177 N -3.19 -0.80 0.22 -1.22 1.04 -0.62 -1.19 113.70 107.94 2nx5 s SER 177 Ca 0.45 1.45 0.11 0.00 0.48 0.00 0.00 55.95 58.45 2nx5 s SER 177 Cb -0.11 1.43 -0.05 0.00 0.10 0.00 0.00 66.02 67.40 2nx5 s SER 177 CO 0.30 -0.24 -0.22 0.00 0.98 0.00 0.00 173.24 174.06 2nx5 s ALA 178 N 0.73 2.57 0.04 5.32 0.00 0.76 -2.08 121.76 129.10 2nx5 s ALA 178 Ca -0.03 -1.72 0.08 0.00 0.00 0.00 0.00 51.96 50.29 2nx5 s ALA 178 Cb -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2nx5 s ALA 178 CO -0.05 0.36 -0.21 0.08 0.00 0.00 0.00 175.76 175.94 2nx5 s VAL 179 N -2.01 2.52 -0.02 0.00 1.01 -1.26 -1.49 120.40 119.15 2nx5 s VAL 179 Ca 0.24 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2nx5 s VAL 179 Cb -0.07 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.32 2nx5 s VAL 179 CO 0.11 0.37 0.03 0.00 0.00 0.00 0.00 175.10 175.61 2nx5 s ALA 180 N -0.86 0.12 0.03 5.51 0.00 0.11 -1.19 121.76 125.48 2nx5 s ALA 180 Ca 0.13 0.28 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 2nx5 s ALA 180 Cb -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2nx5 s ALA 180 CO 0.04 -0.11 0.15 1.67 0.00 0.00 0.00 175.76 177.51 2nx5 s TRP 181 N 1.08 0.09 -0.19 0.00 -2.14 -0.54 0.10 118.94 117.34 2nx5 s TRP 181 Ca -0.09 -0.28 -0.15 0.00 2.66 0.00 0.00 56.10 58.23 2nx5 s TRP 181 Cb -0.13 -0.06 0.05 0.00 -3.10 0.00 0.00 33.47 30.23 2nx5 s TRP 181 CO -0.03 -0.37 0.50 0.45 -2.66 0.00 0.00 176.95 174.84 2nx5 s SER 182 N -1.87 -0.56 -1.23 -2.66 0.15 -1.26 -1.03 113.70 105.24 2nx5 s SER 182 Ca -0.08 1.03 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 2nx5 s SER 182 Cb -0.03 1.00 0.19 0.00 -1.71 0.00 0.00 66.02 65.47 2nx5 s SER 182 CO -0.02 -0.18 1.65 0.59 1.20 0.00 0.00 173.24 176.47 2nx5 n ASN 183 N 3.28 5.31 -3.64 5.45 4.13 -1.25 -4.89 115.26 123.66 2nx5 n ASN 183 Ca -0.16 -3.10 -0.14 0.00 1.68 0.00 0.00 54.58 52.86 2nx5 n ASN 183 Cb 0.56 -1.48 -0.07 0.00 -1.54 0.00 0.00 39.78 37.25 2nx5 n ASN 183 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2nx5 s LYS 184 N 0.30 0.80 0.35 3.52 2.20 -1.26 -5.04 119.74 120.61 2nx5 s LYS 184 Ca 0.39 0.89 0.17 0.00 -0.36 0.00 0.00 55.97 57.07 2nx5 s LYS 184 Cb 0.04 0.39 0.57 0.00 -1.51 0.00 0.00 37.83 37.32 2nx5 s LYS 184 CO 0.01 -0.11 1.68 0.66 -0.36 0.00 0.00 175.35 177.23 2nx5 h SER 185 N 4.94 0.00 -0.14 1.43 4.64 -2.02 -3.30 113.55 119.11 2nx5 h SER 185 Ca -0.29 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.61 2nx5 h SER 185 Cb 1.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 2nx5 h SER 185 CO 0.10 0.42 1.41 0.47 -0.87 0.00 0.00 176.83 178.36 2nx5 n ASP 186 N -3.51 6.81 -3.31 4.97 9.92 -1.26 -4.77 116.55 125.39 2nx5 n ASP 186 Ca -0.00 -2.60 -0.07 0.00 -0.53 0.00 0.00 54.79 51.59 2nx5 n ASP 186 Cb 0.55 -1.46 -0.06 0.00 -0.64 0.00 0.00 41.12 39.51 2nx5 n ASP 186 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2nx5 s PHE 187 N 1.12 -0.99 0.15 1.24 2.19 -1.24 -5.15 117.98 115.30 2nx5 s PHE 187 Ca 0.67 0.86 0.09 0.00 0.33 0.00 0.00 56.93 58.88 2nx5 s PHE 187 Cb 0.26 0.07 -0.04 0.00 -1.31 0.00 0.00 43.02 42.00 2nx5 s PHE 187 CO -0.04 -0.80 -0.16 0.00 1.83 0.00 0.00 175.22 176.04 2nx5 s ALA 188 N 2.60 2.74 0.00 11.12 0.00 -1.26 -5.03 121.76 131.93 2nx5 s ALA 188 Ca 0.13 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2nx5 s ALA 188 Cb -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2nx5 s ALA 188 CO -0.20 0.52 0.30 0.00 0.00 0.00 0.00 175.76 176.38 2nx5 n ALA 190 N -0.59 0.63 0.00 0.00 0.00 -1.26 -0.53 120.51 118.76 2nx5 n ALA 190 Ca 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.01 2nx5 n ALA 190 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.07 2nx5 n ALA 190 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nx5 n ASN 191 N 11.10 0.00 -1.05 0.00 6.94 -1.26 -5.03 115.26 125.96 2nx5 n ASN 191 Ca 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.96 2nx5 n ASN 191 Cb 0.42 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.88 2nx5 n ASN 191 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nx5 n ALA 192 N 0.00 2.87 -2.79 -2.53 0.00 0.31 -4.19 120.51 114.18 2nx5 n ALA 192 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 2nx5 n ALA 192 Cb 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.40 2nx5 n ALA 192 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2nx5 n PHE 193 N 0.22 1.37 1.86 0.00 3.01 -1.26 -5.05 117.46 117.62 2nx5 n PHE 193 Ca 0.07 -3.18 0.15 0.00 1.01 0.00 0.00 57.45 55.50 2nx5 n PHE 193 Cb 0.59 -0.36 0.89 0.00 -0.01 0.00 0.00 39.48 40.59 2nx5 n PHE 193 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86