#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nx5 s GLN 2 N 0.00 1.52 -0.03 6.28 -0.21 -1.26 -4.50 119.66 121.46 2nx5 s GLN 2 Ca 0.00 -0.40 0.02 0.00 0.02 0.00 0.00 55.36 55.00 2nx5 s GLN 2 Cb 0.00 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.72 2nx5 s GLN 2 CO 0.00 0.07 -0.10 1.03 -2.12 0.00 0.00 175.29 174.18 2nx5 s ARG 3 N 0.49 1.06 0.23 2.91 0.52 -0.34 -4.92 118.95 118.90 2nx5 s ARG 3 Ca -0.11 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 54.49 2nx5 s ARG 3 Cb -0.14 -0.98 -0.09 0.00 0.52 0.00 0.00 34.95 34.27 2nx5 s ARG 3 CO 0.03 0.10 1.19 -0.08 0.02 0.00 0.00 175.30 176.56 2nx5 s THR 4 N 0.26 3.43 -0.41 0.02 -1.32 -1.26 -2.93 115.64 113.43 2nx5 s THR 4 Ca -0.05 1.29 -0.29 0.00 -1.21 0.00 0.00 61.69 61.44 2nx5 s THR 4 Cb -0.10 -3.82 0.02 0.00 -1.51 0.00 0.00 72.50 67.09 2nx5 s THR 4 CO 0.01 0.25 1.13 -2.16 -2.21 0.00 0.00 174.62 171.64 2nx5 s PRO 5 N -0.76 3.86 0.33 7.08 0.04 -1.26 -4.21 135.00 140.09 2nx5 s PRO 5 Ca 0.50 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 2nx5 s PRO 5 Cb -0.33 -3.84 -0.10 0.00 0.04 0.00 0.00 34.50 30.26 2nx5 s PRO 5 CO 0.40 -1.19 1.28 0.15 0.04 0.00 0.00 177.00 177.68 2nx5 s LYS 6 N 4.15 4.35 -0.02 4.56 1.02 0.38 -4.83 119.74 129.34 2nx5 s LYS 6 Ca 0.48 2.16 0.06 0.00 0.02 0.00 0.00 55.97 58.69 2nx5 s LYS 6 Cb -0.10 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 2nx5 s LYS 6 CO 0.25 -0.17 -0.21 0.42 -0.92 0.00 0.00 175.35 174.72 2nx5 s ILE 7 N -1.16 1.66 -0.03 2.17 1.01 -1.26 -1.41 121.20 122.19 2nx5 s ILE 7 Ca 0.49 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2nx5 s ILE 7 Cb -0.39 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 40.73 2nx5 s ILE 7 CO 0.51 0.47 0.03 -1.10 0.00 0.00 0.00 174.94 174.86 2nx5 s GLN 8 N -0.44 -0.02 -0.10 2.79 -0.21 -0.38 -5.00 119.66 116.30 2nx5 s GLN 8 Ca 0.07 0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.71 2nx5 s GLN 8 Cb -0.09 -0.34 -0.01 0.00 1.00 0.00 0.00 33.01 33.58 2nx5 s GLN 8 CO -0.00 -0.21 -0.21 0.08 -2.12 0.00 0.00 175.29 172.82 2nx5 s VAL 9 N 1.34 2.30 0.15 1.09 1.01 -1.26 -0.46 120.40 124.57 2nx5 s VAL 9 Ca -0.06 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 2nx5 s VAL 9 Cb -0.13 -1.89 0.06 0.00 0.00 0.00 0.00 36.38 34.42 2nx5 s VAL 9 CO -0.03 0.55 0.87 -0.72 0.00 0.00 0.00 175.10 175.77 2nx5 s TYR 10 N 0.26 -0.22 0.04 5.22 1.13 -1.17 -4.69 117.35 117.92 2nx5 s TYR 10 Ca -0.15 -0.07 -0.00 0.00 -1.41 0.00 0.00 57.07 55.44 2nx5 s TYR 10 Cb -0.17 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2nx5 s TYR 10 CO 0.08 -0.85 0.17 -1.54 -2.51 0.00 0.00 175.55 170.89 2nx5 s SER 11 N -2.83 6.16 0.08 -0.18 1.04 -1.26 -0.37 113.70 116.34 2nx5 s SER 11 Ca 0.09 0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.45 2nx5 s SER 11 Cb -0.02 -1.86 -0.16 0.00 0.10 0.00 0.00 66.02 64.07 2nx5 s SER 11 CO -0.01 0.21 1.64 -0.09 0.98 0.00 0.00 173.24 175.97 2nx5 h ARG 12 N 3.42 -0.67 -6.26 4.02 2.43 -1.31 -3.44 114.38 112.56 2nx5 h ARG 12 Ca -0.47 0.05 -0.47 0.00 -0.81 0.00 0.00 59.98 58.28 2nx5 h ARG 12 Cb 1.17 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 2nx5 h ARG 12 CO 0.71 -0.45 -0.38 -1.01 -1.51 0.00 0.00 179.97 177.33 2nx5 s HIS 13 N -6.07 2.96 0.14 2.20 3.76 -1.26 -5.04 115.29 111.98 2nx5 s HIS 13 Ca -0.17 -0.30 -0.34 0.00 -0.15 0.00 0.00 55.06 54.10 2nx5 s HIS 13 Cb 0.05 -1.96 -0.15 0.00 1.11 0.00 0.00 32.58 31.63 2nx5 s HIS 13 CO 0.63 0.03 1.47 -2.30 -0.85 0.00 0.00 174.74 173.72 2nx5 n PRO 14 N -1.53 1.77 -2.16 8.40 -0.02 -1.26 -4.86 135.00 135.34 2nx5 n PRO 14 Ca 0.00 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 2nx5 n PRO 14 Cb 0.59 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2nx5 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nx5 s ALA 15 N 0.63 2.94 -0.13 3.55 0.00 -1.26 -4.99 121.76 122.51 2nx5 s ALA 15 Ca 0.79 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.84 2nx5 s ALA 15 Cb -0.77 -3.99 0.01 0.00 0.00 0.00 0.00 23.12 18.37 2nx5 s ALA 15 CO 0.42 -2.54 -0.22 -1.21 0.00 0.00 0.00 175.76 172.22 2nx5 s GLU 16 N 5.35 3.05 -0.02 0.00 2.02 -1.26 -5.09 118.70 122.74 2nx5 s GLU 16 Ca 0.71 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 2nx5 s GLU 16 Cb -0.18 -2.41 -0.06 0.00 0.10 0.00 0.00 34.13 31.57 2nx5 s GLU 16 CO 0.33 0.05 1.69 -0.80 0.02 0.00 0.00 175.26 176.55 2nx5 s ASN 17 N 0.67 6.63 0.00 -0.19 -0.87 -1.26 -2.43 114.94 117.49 2nx5 s ASN 17 Ca -0.10 2.33 0.00 0.00 -1.57 0.00 0.00 52.86 53.51 2nx5 s ASN 17 Cb -0.16 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 2nx5 s ASN 17 CO 0.02 -0.93 0.00 0.61 -2.57 0.00 0.00 177.10 174.22 2nx5 n GLY 18 N 4.16 2.99 3.72 0.66 0.00 -1.04 -5.02 105.19 110.66 2nx5 n GLY 18 Ca 0.17 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 2nx5 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nx5 s LYS 19 N 0.00 4.60 0.42 1.61 2.20 -1.02 -4.93 119.74 122.62 2nx5 s LYS 19 Ca 0.00 1.53 -0.24 0.00 -0.36 0.00 0.00 55.97 56.90 2nx5 s LYS 19 Cb 0.00 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.85 2nx5 s LYS 19 CO 0.00 0.04 1.12 0.45 -0.36 0.00 0.00 175.35 176.60 2nx5 s SER 20 N 0.47 6.48 0.00 1.43 0.15 -1.26 -4.39 113.70 116.57 2nx5 s SER 20 Ca 0.51 2.21 0.00 0.00 0.70 0.00 0.00 55.95 59.37 2nx5 s SER 20 Cb -0.24 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2nx5 s SER 20 CO 0.30 -0.70 0.00 -3.20 1.20 0.00 0.00 173.24 170.84 2nx5 n ASN 21 N -0.20 0.00 -4.18 5.45 5.15 0.62 -4.99 115.26 117.11 2nx5 n ASN 21 Ca 0.06 -0.90 -0.29 0.00 -0.60 0.00 0.00 54.58 52.85 2nx5 n ASN 21 Cb 0.48 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.57 2nx5 n ASN 21 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2nx5 s PHE 22 N -6.01 2.06 -0.23 1.20 0.40 -1.26 -0.53 117.98 113.60 2nx5 s PHE 22 Ca 0.00 -0.64 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 2nx5 s PHE 22 Cb 0.00 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 2nx5 s PHE 22 CO 0.00 -0.22 0.03 -1.17 0.70 0.00 0.00 175.22 174.56 2nx5 s LEU 23 N 0.04 3.29 0.21 -0.37 2.96 -0.60 -0.71 118.68 123.50 2nx5 s LEU 23 Ca -0.06 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2nx5 s LEU 23 Cb -0.13 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2nx5 s LEU 23 CO 0.04 0.00 0.27 0.20 -1.32 0.00 0.00 176.35 175.54 2nx5 s ASN 24 N 1.39 6.03 -0.35 3.68 0.01 0.50 -2.70 114.94 123.50 2nx5 s ASN 24 Ca 0.05 -0.01 -0.00 0.00 -0.71 0.00 0.00 52.86 52.19 2nx5 s ASN 24 Cb -0.15 -1.71 0.12 0.00 0.41 0.00 0.00 41.25 39.93 2nx5 s ASN 24 CO 0.02 -0.02 0.18 0.00 -1.51 0.00 0.00 177.10 175.77 2nx5 s TYR 26 N 1.20 2.78 0.06 0.00 5.04 0.39 -2.88 117.35 123.95 2nx5 s TYR 26 Ca 0.15 0.15 -0.08 0.00 -2.44 0.00 0.00 57.07 54.85 2nx5 s TYR 26 Cb -0.21 -4.15 -0.05 0.00 0.35 0.00 0.00 41.96 37.89 2nx5 s TYR 26 CO -0.11 -1.36 0.34 0.14 -1.34 0.00 0.00 175.55 173.22 2nx5 s VAL 27 N 4.13 5.19 0.18 3.14 -7.23 -0.89 -1.25 120.40 123.68 2nx5 s VAL 27 Ca 0.34 0.26 -0.23 0.00 -1.81 0.00 0.00 61.98 60.54 2nx5 s VAL 27 Cb -0.11 -3.61 0.06 0.00 0.56 0.00 0.00 36.38 33.27 2nx5 s VAL 27 CO 0.22 0.27 0.68 -0.94 -0.31 0.00 0.00 175.10 175.02 2nx5 s SER 28 N -1.87 -0.44 -0.87 4.85 1.04 -0.50 -1.67 113.70 114.24 2nx5 s SER 28 Ca 0.32 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2nx5 s SER 28 Cb -0.13 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2nx5 s SER 28 CO 0.19 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2nx5 n GLY 29 N -0.40 0.87 3.63 7.32 0.00 -0.76 -0.47 105.19 115.38 2nx5 n GLY 29 Ca -0.12 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 2nx5 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nx5 s PHE 30 N -2.33 2.80 -0.20 1.61 -0.12 -1.24 -4.33 117.98 114.17 2nx5 s PHE 30 Ca 0.00 -0.14 -0.10 0.00 -0.05 0.00 0.00 56.93 56.64 2nx5 s PHE 30 Cb 0.00 -1.40 0.07 0.00 -0.63 0.00 0.00 43.02 41.06 2nx5 s PHE 30 CO 0.00 0.49 0.48 -1.58 -0.05 0.00 0.00 175.22 174.56 2nx5 s HIS 31 N -1.52 -0.77 1.03 3.49 2.46 -1.15 -2.16 115.29 116.67 2nx5 s HIS 31 Ca 0.25 1.56 -0.17 0.00 0.47 0.00 0.00 55.06 57.17 2nx5 s HIS 31 Cb -0.10 0.38 0.25 0.00 -0.13 0.00 0.00 32.58 32.98 2nx5 s HIS 31 CO 0.17 -0.42 1.07 -2.30 -2.47 0.00 0.00 174.74 170.78 2nx5 n PRO 32 N 4.53 -2.31 0.02 2.88 -0.02 -1.26 -1.20 135.00 137.64 2nx5 n PRO 32 Ca -0.20 -1.69 -0.15 0.00 -2.02 0.00 0.00 63.50 59.45 2nx5 n PRO 32 Cb 0.55 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.59 2nx5 n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2nx5 h SER 33 N -2.21 0.73 -2.18 2.55 4.64 -2.00 -3.46 113.55 111.63 2nx5 h SER 33 Ca -0.38 -0.51 -0.59 0.00 -0.47 0.00 0.00 61.79 59.84 2nx5 h SER 33 Cb 1.12 -0.22 0.04 0.00 -0.31 0.00 0.00 62.40 63.02 2nx5 h SER 33 CO 0.26 1.29 0.97 0.47 -0.87 0.00 0.00 176.83 178.94 2nx5 n ASP 34 N -3.87 3.35 -3.69 4.97 9.92 -1.26 -4.97 116.55 121.00 2nx5 n ASP 34 Ca -0.07 1.02 -0.13 0.00 -0.53 0.00 0.00 54.79 55.08 2nx5 n ASP 34 Cb 0.76 -1.41 -0.09 0.00 -0.64 0.00 0.00 41.12 39.74 2nx5 n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2nx5 s ILE 35 N 2.55 -0.00 -0.45 0.53 2.07 -1.26 -4.66 121.20 119.98 2nx5 s ILE 35 Ca 0.86 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 60.02 2nx5 s ILE 35 Cb -0.67 -0.76 0.11 0.00 0.13 0.00 0.00 42.46 41.27 2nx5 s ILE 35 CO 0.44 0.00 0.30 -0.70 -1.91 0.00 0.00 174.94 173.08 2nx5 s GLU 36 N 0.35 2.42 -0.17 3.50 2.12 -1.09 -5.01 118.70 120.81 2nx5 s GLU 36 Ca -0.00 -1.72 -0.05 0.00 0.36 0.00 0.00 54.97 53.55 2nx5 s GLU 36 Cb -0.04 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 2nx5 s GLU 36 CO -0.00 -1.13 0.01 0.08 -0.54 0.00 0.00 175.26 173.68 2nx5 s VAL 37 N 1.33 4.29 0.04 3.70 1.01 -1.26 -1.91 120.40 127.60 2nx5 s VAL 37 Ca 0.06 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2nx5 s VAL 37 Cb -0.25 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2nx5 s VAL 37 CO -0.01 0.48 -0.15 -1.81 0.00 0.00 0.00 175.10 173.61 2nx5 s ASP 38 N 0.37 1.72 -0.21 3.32 1.01 -0.26 -5.02 116.67 117.60 2nx5 s ASP 38 Ca -0.01 -0.48 -0.08 0.00 0.71 0.00 0.00 52.55 52.69 2nx5 s ASP 38 Cb -0.13 -0.11 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 2nx5 s ASP 38 CO 0.02 0.03 0.09 -0.22 0.21 0.00 0.00 175.17 175.30 2nx5 s LEU 39 N -1.20 3.81 -0.24 1.23 0.20 -1.26 -1.26 118.68 119.96 2nx5 s LEU 39 Ca 0.02 0.03 -0.04 0.00 0.69 0.00 0.00 54.13 54.83 2nx5 s LEU 39 Cb -0.08 -1.99 0.00 0.00 -0.43 0.00 0.00 46.19 43.69 2nx5 s LEU 39 CO 0.01 0.10 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.40 2nx5 s LEU 40 N 0.80 3.19 -0.28 -0.68 1.43 0.11 -0.23 118.68 123.03 2nx5 s LEU 40 Ca 0.05 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 2nx5 s LEU 40 Cb -0.13 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2nx5 s LEU 40 CO 0.02 -0.09 0.18 -0.75 0.23 0.00 0.00 176.35 175.94 2nx5 s LYS 41 N 1.44 3.92 -1.08 1.70 2.20 -0.09 0.27 119.74 128.09 2nx5 s LYS 41 Ca 0.04 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 2nx5 s LYS 41 Cb -0.16 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2nx5 s LYS 41 CO -0.02 -0.18 0.00 0.09 -0.36 0.00 0.00 175.35 174.88 2nx5 n ASN 42 N 5.03 -3.98 0.00 1.43 3.02 0.65 -1.33 115.26 120.08 2nx5 n ASN 42 Ca -0.14 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2nx5 n ASN 42 Cb 0.52 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 2nx5 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nx5 n GLY 43 N -0.81 2.73 3.94 7.41 0.00 -1.26 -5.05 105.19 112.15 2nx5 n GLY 43 Ca -0.15 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 2nx5 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nx5 s GLU 44 N 0.00 1.81 -0.08 1.61 8.01 -0.44 -4.98 118.70 124.62 2nx5 s GLU 44 Ca 0.00 -0.40 -0.16 0.00 0.01 0.00 0.00 54.97 54.41 2nx5 s GLU 44 Cb 0.00 -2.12 -0.05 0.00 -4.31 0.00 0.00 34.13 27.65 2nx5 s GLU 44 CO 0.00 -1.51 0.43 0.50 0.01 0.00 0.00 175.26 174.69 2nx5 s ARG 45 N -5.37 4.19 -0.01 1.61 3.52 -1.26 -0.91 118.95 120.72 2nx5 s ARG 45 Ca 0.64 0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 56.32 2nx5 s ARG 45 Cb -0.09 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 2nx5 s ARG 45 CO 0.46 0.35 1.06 0.42 -0.81 0.00 0.00 175.30 176.78 2nx5 s ILE 46 N 0.03 4.59 0.26 4.11 -1.09 0.67 -4.84 121.20 124.94 2nx5 s ILE 46 Ca 0.24 1.87 -0.18 0.00 -2.23 0.00 0.00 60.65 60.35 2nx5 s ILE 46 Cb -0.15 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.44 2nx5 s ILE 46 CO 0.10 0.10 0.73 -0.70 -1.23 0.00 0.00 174.94 173.94 2nx5 s GLU 47 N 1.33 4.14 -0.69 2.79 2.12 -1.26 -4.42 118.70 122.72 2nx5 s GLU 47 Ca 0.53 0.78 -0.01 0.00 0.36 0.00 0.00 54.97 56.63 2nx5 s GLU 47 Cb -0.23 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.47 2nx5 s GLU 47 CO 0.26 0.30 0.67 1.63 -0.54 0.00 0.00 175.26 177.57 2nx5 n LYS 48 N 0.28 -1.36 -3.58 4.30 5.02 -1.26 -5.02 118.16 116.54 2nx5 n LYS 48 Ca 0.00 1.52 -0.41 0.00 -2.02 0.00 0.00 58.31 57.40 2nx5 n LYS 48 Cb 0.52 -5.62 -0.11 0.00 -0.02 0.00 0.00 35.03 29.80 2nx5 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2nx5 s VAL 49 N -2.96 4.71 0.57 -0.18 1.01 -1.26 -4.84 120.40 117.45 2nx5 s VAL 49 Ca 0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 2nx5 s VAL 49 Cb -0.01 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2nx5 s VAL 49 CO 0.73 -0.21 0.92 -1.61 0.00 0.00 0.00 175.10 174.92 2nx5 s GLU 50 N 1.59 3.38 0.03 2.72 2.02 -1.12 -4.91 118.70 122.41 2nx5 s GLU 50 Ca 0.03 0.37 -0.06 0.00 0.02 0.00 0.00 54.97 55.33 2nx5 s GLU 50 Cb -0.19 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 2nx5 s GLU 50 CO 0.07 -0.50 0.10 -3.38 0.02 0.00 0.00 175.26 171.57 2nx5 s HIS 51 N -3.00 0.19 0.99 1.61 -3.43 -1.26 -1.36 115.29 109.04 2nx5 s HIS 51 Ca 0.52 -0.47 -0.12 0.00 -0.80 0.00 0.00 55.06 54.19 2nx5 s HIS 51 Cb -0.11 -0.13 0.18 0.00 -1.43 0.00 0.00 32.58 31.09 2nx5 s HIS 51 CO 0.49 -0.35 1.09 -1.54 -2.00 0.00 0.00 174.74 172.42 2nx5 s SER 52 N -2.04 2.69 0.33 7.38 1.04 -0.23 -4.93 113.70 117.94 2nx5 s SER 52 Ca -0.06 1.27 -0.27 0.00 0.48 0.00 0.00 55.95 57.36 2nx5 s SER 52 Cb -0.02 -1.94 -0.09 0.00 0.10 0.00 0.00 66.02 64.07 2nx5 s SER 52 CO -0.04 -3.10 1.11 -1.81 0.98 0.00 0.00 173.24 170.39 2nx5 s ASP 53 N -3.40 6.99 -0.26 7.02 1.01 -1.26 -4.61 116.67 122.16 2nx5 s ASP 53 Ca 0.65 2.26 -0.28 0.00 0.71 0.00 0.00 52.55 55.89 2nx5 s ASP 53 Cb -0.19 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.08 2nx5 s ASP 53 CO 0.58 -0.34 2.16 -0.22 0.21 0.00 0.00 175.17 177.56 2nx5 s LEU 54 N -1.92 3.44 0.00 1.23 2.96 -1.26 -4.88 118.68 118.25 2nx5 s LEU 54 Ca 0.50 1.71 0.02 0.00 -0.22 0.00 0.00 54.13 56.14 2nx5 s LEU 54 Cb -0.30 -3.43 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2nx5 s LEU 54 CO 0.38 -1.99 0.06 -0.24 -1.32 0.00 0.00 176.35 173.25 2nx5 n SER 55 N 11.78 2.47 -3.90 3.68 2.88 -1.23 -5.04 113.62 124.26 2nx5 n SER 55 Ca 0.29 -3.22 -0.09 0.00 -1.33 0.00 0.00 58.87 54.52 2nx5 n SER 55 Cb 0.46 0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 64.52 2nx5 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2nx5 s PHE 56 N -2.96 0.21 0.65 0.66 -0.71 -1.26 -1.90 117.98 112.67 2nx5 s PHE 56 Ca 0.09 -0.57 0.06 0.00 -1.04 0.00 0.00 56.93 55.48 2nx5 s PHE 56 Cb 0.00 0.17 0.11 0.00 -1.21 0.00 0.00 43.02 42.10 2nx5 s PHE 56 CO 0.06 -0.87 0.89 -1.54 -1.34 0.00 0.00 175.22 172.43 2nx5 s SER 57 N -2.95 4.73 0.43 1.98 1.04 0.39 -4.94 113.70 114.39 2nx5 s SER 57 Ca 0.16 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 55.93 2nx5 s SER 57 Cb 0.01 0.34 0.95 0.00 0.10 0.00 0.00 66.02 67.41 2nx5 s SER 57 CO 0.02 -1.62 2.08 0.11 0.98 0.00 0.00 173.24 174.80 2nx5 h LYS 58 N -0.14 0.42 -0.46 4.02 1.57 -2.03 0.12 116.57 120.07 2nx5 h LYS 58 Ca -0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2nx5 h LYS 58 Cb 1.28 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2nx5 h LYS 58 CO 0.39 0.28 0.00 -0.40 -0.57 0.00 0.00 179.45 179.15 2nx5 n ASP 59 N -4.49 1.35 0.00 0.86 5.68 -1.26 -4.88 116.55 113.81 2nx5 n ASP 59 Ca 0.02 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 2nx5 n ASP 59 Cb 0.07 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 2nx5 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2nx5 n TRP 60 N 0.05 0.00 -2.49 2.11 7.02 0.42 -5.02 117.44 119.53 2nx5 n TRP 60 Ca 0.06 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.13 2nx5 n TRP 60 Cb 0.27 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.12 2nx5 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2nx5 s SER 61 N -3.46 7.22 0.60 -0.99 1.04 -1.25 -4.61 113.70 112.25 2nx5 s SER 61 Ca 0.00 2.09 -0.14 0.00 0.48 0.00 0.00 55.95 58.38 2nx5 s SER 61 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2nx5 s SER 61 CO 0.00 -0.28 1.03 -0.36 0.98 0.00 0.00 173.24 174.61 2nx5 s PHE 62 N -0.01 3.28 0.09 5.02 0.08 -0.92 -0.46 117.98 125.06 2nx5 s PHE 62 Ca 0.51 1.43 0.01 0.00 0.12 0.00 0.00 56.93 59.01 2nx5 s PHE 62 Cb -0.30 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 2nx5 s PHE 62 CO 0.34 -0.84 -0.06 1.52 -0.10 0.00 0.00 175.22 176.08 2nx5 s TYR 63 N -2.78 0.82 -0.07 0.36 -0.85 -0.80 -1.82 117.35 112.20 2nx5 s TYR 63 Ca 0.59 -0.89 -0.19 0.00 -0.52 0.00 0.00 57.07 56.07 2nx5 s TYR 63 Cb -0.13 -0.49 0.04 0.00 0.38 0.00 0.00 41.96 41.76 2nx5 s TYR 63 CO 0.43 -0.17 0.44 -0.51 -1.52 0.00 0.00 175.55 174.21 2nx5 s LEU 64 N -2.87 0.34 -0.32 -3.49 1.43 -0.67 -3.55 118.68 109.55 2nx5 s LEU 64 Ca 0.09 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2nx5 s LEU 64 Cb 0.04 1.63 0.08 0.00 0.03 0.00 0.00 46.19 47.97 2nx5 s LEU 64 CO -0.05 -0.39 0.01 -0.22 0.23 0.00 0.00 176.35 175.93 2nx5 s LEU 65 N -0.80 4.23 -0.19 1.79 2.96 -1.26 -2.09 118.68 123.32 2nx5 s LEU 65 Ca -0.09 -1.70 -0.15 0.00 -0.22 0.00 0.00 54.13 51.98 2nx5 s LEU 65 Cb -0.03 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2nx5 s LEU 65 CO 0.04 -0.32 0.35 -0.31 -1.32 0.00 0.00 176.35 174.79 2nx5 s TYR 66 N 1.08 3.40 0.25 5.38 1.51 -1.14 -1.07 117.35 126.77 2nx5 s TYR 66 Ca 0.01 0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 56.62 2nx5 s TYR 66 Cb -0.20 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.18 2nx5 s TYR 66 CO -0.05 0.08 0.28 1.52 -1.11 0.00 0.00 175.55 176.27 2nx5 s TYR 67 N 1.01 1.04 -0.18 2.71 1.13 -0.46 0.58 117.35 123.19 2nx5 s TYR 67 Ca 0.18 -1.25 -0.32 0.00 -1.41 0.00 0.00 57.07 54.27 2nx5 s TYR 67 Cb -0.14 -0.34 0.14 0.00 -1.10 0.00 0.00 41.96 40.52 2nx5 s TYR 67 CO 0.07 -0.83 1.13 -0.08 -2.51 0.00 0.00 175.55 173.33 2nx5 s THR 68 N -3.87 0.00 0.03 -3.49 -1.32 -1.10 -2.78 115.64 103.12 2nx5 s THR 68 Ca 0.34 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.52 2nx5 s THR 68 Cb 0.04 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.97 2nx5 s THR 68 CO 0.15 0.00 1.31 -1.61 -2.21 0.00 0.00 174.62 172.26 2nx5 s GLU 69 N -1.84 4.34 0.19 7.08 2.02 -1.26 -1.56 118.70 127.67 2nx5 s GLU 69 Ca 0.05 1.89 -0.00 0.00 0.02 0.00 0.00 54.97 56.93 2nx5 s GLU 69 Cb -0.01 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 2nx5 s GLU 69 CO -0.04 -0.43 0.10 -0.59 0.02 0.00 0.00 175.26 174.31 2nx5 s PHE 70 N 1.71 1.16 -0.20 1.61 -0.71 0.31 -4.94 117.98 116.91 2nx5 s PHE 70 Ca 0.61 -1.29 -0.04 0.00 -1.04 0.00 0.00 56.93 55.17 2nx5 s PHE 70 Cb -0.31 -0.61 0.07 0.00 -1.21 0.00 0.00 43.02 40.96 2nx5 s PHE 70 CO 0.27 -0.54 0.08 0.99 -1.34 0.00 0.00 175.22 174.69 2nx5 s THR 71 N -4.04 0.16 0.40 -4.49 2.01 -1.26 -0.28 115.64 108.14 2nx5 s THR 71 Ca 0.35 -0.45 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 2nx5 s THR 71 Cb 0.07 -0.84 -0.09 0.00 0.01 0.00 0.00 72.50 71.65 2nx5 s THR 71 CO 0.10 -0.35 1.07 -2.16 -0.69 0.00 0.00 174.62 172.59 2nx5 s PRO 72 N 2.02 4.14 0.19 4.92 0.04 -1.26 -4.85 135.00 140.19 2nx5 s PRO 72 Ca 0.03 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 2nx5 s PRO 72 Cb -0.16 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2nx5 s PRO 72 CO -0.14 -0.17 0.20 0.95 0.04 0.00 0.00 177.00 177.88 2nx5 s THR 73 N -1.60 0.04 0.40 1.26 -4.23 -1.26 -2.50 115.64 107.75 2nx5 s THR 73 Ca 0.57 -1.76 0.21 0.00 -1.18 0.00 0.00 61.69 59.54 2nx5 s THR 73 Cb -0.24 -2.22 0.23 0.00 1.34 0.00 0.00 72.50 71.61 2nx5 s THR 73 CO 0.30 -0.16 2.00 -0.33 -0.54 0.00 0.00 174.62 175.89 2nx5 h GLU 74 N 2.60 0.00 0.00 3.99 5.08 -2.00 -3.30 114.58 120.95 2nx5 h GLU 74 Ca -0.33 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 2nx5 h GLU 74 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2nx5 h GLU 74 CO 0.50 0.18 -0.68 0.87 -1.00 0.00 0.00 179.01 178.89 2nx5 h LYS 75 N 0.00 0.00 -6.48 2.33 1.57 -2.01 -3.47 116.57 108.51 2nx5 h LYS 75 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2nx5 h LYS 75 Cb 0.40 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.74 2nx5 h LYS 75 CO 0.02 0.65 0.94 -0.51 -0.57 0.00 0.00 179.45 179.98 2nx5 s ASP 76 N -6.31 6.64 -0.01 0.86 1.01 -1.24 -5.01 116.67 112.60 2nx5 s ASP 76 Ca -0.20 2.47 0.02 0.00 0.71 0.00 0.00 52.55 55.55 2nx5 s ASP 76 Cb 0.02 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2nx5 s ASP 76 CO 0.46 -0.84 -0.02 -1.61 0.21 0.00 0.00 175.17 173.36 2nx5 s GLU 77 N 2.18 2.72 0.06 8.23 2.02 -1.26 -4.52 118.70 128.13 2nx5 s GLU 77 Ca 0.71 -0.63 0.06 0.00 0.02 0.00 0.00 54.97 55.13 2nx5 s GLU 77 Cb -0.40 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 2nx5 s GLU 77 CO 0.31 0.62 -0.17 0.71 0.02 0.00 0.00 175.26 176.76 2nx5 s TYR 78 N -1.04 1.46 0.33 1.61 2.02 -1.26 -0.26 117.35 120.21 2nx5 s TYR 78 Ca 0.18 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.43 2nx5 s TYR 78 Cb -0.11 -0.85 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2nx5 s TYR 78 CO 0.09 0.08 0.50 0.00 -1.57 0.00 0.00 175.55 174.65 2nx5 s ALA 79 N -0.97 0.41 -0.04 3.71 0.00 0.14 -1.45 121.76 123.56 2nx5 s ALA 79 Ca 0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 50.68 2nx5 s ALA 79 Cb -0.09 1.09 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2nx5 s ALA 79 CO 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 175.76 174.97 2nx5 s ARG 81 N 1.41 3.77 -0.11 0.00 3.52 -0.39 -1.71 118.95 125.45 2nx5 s ARG 81 Ca -0.04 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2nx5 s ARG 81 Cb -0.13 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2nx5 s ARG 81 CO -0.03 -0.07 -0.16 0.08 -0.81 0.00 0.00 175.30 174.32 2nx5 s VAL 82 N 1.31 1.55 -0.26 7.11 1.01 -0.87 -1.11 120.40 129.14 2nx5 s VAL 82 Ca 0.05 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2nx5 s VAL 82 Cb -0.15 -1.41 0.07 0.00 0.00 0.00 0.00 36.38 34.89 2nx5 s VAL 82 CO 0.04 0.45 -0.03 0.21 0.00 0.00 0.00 175.10 175.77 2nx5 s ASN 83 N 1.00 4.04 0.42 3.32 3.04 -0.80 -1.62 114.94 124.35 2nx5 s ASN 83 Ca -0.06 -1.36 0.07 0.00 0.04 0.00 0.00 52.86 51.56 2nx5 s ASN 83 Cb -0.15 -1.24 -0.04 0.00 -1.54 0.00 0.00 41.25 38.28 2nx5 s ASN 83 CO -0.02 -0.26 0.26 -2.28 -3.04 0.00 0.00 177.10 171.75 2nx5 s HIS 84 N 1.32 2.57 0.28 0.43 5.65 -1.26 -2.68 115.29 121.61 2nx5 s HIS 84 Ca -0.03 -0.58 0.01 0.00 0.25 0.00 0.00 55.06 54.72 2nx5 s HIS 84 Cb -0.19 -2.03 0.41 0.00 -1.18 0.00 0.00 32.58 29.59 2nx5 s HIS 84 CO -0.08 0.04 1.75 -0.24 -0.65 0.00 0.00 174.74 175.56 2nx5 h VAL 85 N 1.25 1.25 0.00 0.89 3.04 -1.95 -2.34 116.25 118.38 2nx5 h VAL 85 Ca -0.42 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.15 2nx5 h VAL 85 Cb 1.26 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 2nx5 h VAL 85 CO 0.65 0.37 0.00 0.35 -1.01 0.00 0.00 177.57 177.93 2nx5 n THR 86 N -4.17 0.62 -3.67 3.17 -2.24 -1.26 -4.75 114.28 101.97 2nx5 n THR 86 Ca 0.01 0.15 -0.36 0.00 -2.27 0.00 0.00 64.05 61.58 2nx5 n THR 86 Cb 0.35 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 2nx5 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2nx5 s LEU 87 N -2.98 4.31 -0.08 3.22 1.43 -0.88 -5.01 118.68 118.68 2nx5 s LEU 87 Ca 0.10 0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 53.47 2nx5 s LEU 87 Cb 0.13 -2.25 -0.18 0.00 0.03 0.00 0.00 46.19 43.92 2nx5 s LEU 87 CO 0.36 0.23 0.78 0.77 0.23 0.00 0.00 176.35 178.73 2nx5 h SER 88 N 5.95 -0.08 -4.25 2.29 4.64 -1.85 -3.44 113.55 116.81 2nx5 h SER 88 Ca -0.46 -0.54 -0.57 0.00 -0.47 0.00 0.00 61.79 59.75 2nx5 h SER 88 Cb 1.19 0.02 -0.24 0.00 -0.31 0.00 0.00 62.40 63.05 2nx5 h SER 88 CO 0.69 0.61 -0.83 0.00 -0.87 0.00 0.00 176.83 176.42 2nx5 s GLN 89 N -2.90 1.29 -0.04 4.77 -2.07 -1.26 -5.10 119.66 114.34 2nx5 s GLN 89 Ca -0.14 -1.00 -0.33 0.00 -1.82 0.00 0.00 55.36 52.07 2nx5 s GLN 89 Cb -0.01 -1.45 -0.11 0.00 -1.09 0.00 0.00 33.01 30.36 2nx5 s GLN 89 CO 0.51 0.36 1.88 -2.30 -1.32 0.00 0.00 175.29 174.42 2nx5 n PRO 90 N 1.61 2.34 -2.97 9.60 -0.02 -1.26 -4.94 135.00 139.36 2nx5 n PRO 90 Ca -0.18 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2nx5 n PRO 90 Cb 0.53 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 2nx5 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2nx5 s LYS 91 N 3.91 3.72 -0.13 -0.52 2.20 -0.64 -4.83 119.74 123.45 2nx5 s LYS 91 Ca 0.91 0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 56.70 2nx5 s LYS 91 Cb -0.63 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 31.83 2nx5 s LYS 91 CO 0.48 -0.86 0.12 0.42 -0.36 0.00 0.00 175.35 175.16 2nx5 s ILE 92 N 3.08 5.38 -0.11 5.43 1.09 -1.26 -2.06 121.20 132.74 2nx5 s ILE 92 Ca 0.31 0.16 0.00 0.00 -1.10 0.00 0.00 60.65 60.02 2nx5 s ILE 92 Cb -0.13 -3.36 0.02 0.00 -1.06 0.00 0.00 42.46 37.93 2nx5 s ILE 92 CO 0.17 0.58 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.80 2nx5 s VAL 93 N -0.71 1.16 0.57 2.92 1.01 -0.69 -4.96 120.40 119.70 2nx5 s VAL 93 Ca 0.13 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 2nx5 s VAL 93 Cb -0.12 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2nx5 s VAL 93 CO 0.03 0.39 1.09 -0.54 0.00 0.00 0.00 175.10 176.06 2nx5 s LYS 94 N 1.49 3.31 -0.45 2.72 3.01 -1.26 -2.42 119.74 126.15 2nx5 s LYS 94 Ca 0.02 1.42 -0.23 0.00 -1.01 0.00 0.00 55.97 56.17 2nx5 s LYS 94 Cb -0.13 -2.02 0.02 0.00 -1.01 0.00 0.00 37.83 34.70 2nx5 s LYS 94 CO -0.07 -0.84 0.80 -0.46 0.51 0.00 0.00 175.35 175.29 2nx5 s TRP 95 N -2.09 2.99 -0.28 3.18 -0.00 -0.53 -4.93 118.94 117.28 2nx5 s TRP 95 Ca 0.68 0.21 -0.07 0.00 -0.00 0.00 0.00 56.10 56.92 2nx5 s TRP 95 Cb -0.20 -3.68 -0.01 0.00 -0.00 0.00 0.00 33.47 29.58 2nx5 s TRP 95 CO 0.31 -0.99 0.09 0.34 -0.00 0.00 0.00 176.95 176.70 2nx5 s ASP 96 N 2.13 5.19 0.56 5.86 2.15 -1.26 -4.81 116.67 126.49 2nx5 s ASP 96 Ca 0.31 -0.52 0.31 0.00 0.43 0.00 0.00 52.55 53.07 2nx5 s ASP 96 Cb -0.12 -1.91 1.69 0.00 -0.30 0.00 0.00 42.92 42.27 2nx5 s ASP 96 CO 0.23 -0.14 2.16 0.08 -0.17 0.00 0.00 175.17 177.33 2nx5 h ARG 97 N 8.26 0.00 -0.20 4.34 0.11 -1.96 -1.53 114.38 123.40 2nx5 h ARG 97 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 2nx5 h ARG 97 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2nx5 h ARG 97 CO 0.60 0.06 0.00 -0.25 0.10 0.00 0.00 179.97 180.48 2nx5 n ASP 98 N -3.61 2.36 0.00 0.08 8.00 -1.26 -4.79 116.55 117.34 2nx5 n ASP 98 Ca -0.02 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.67 2nx5 n ASP 98 Cb 0.17 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2nx5 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04