#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 1.32 0.00 6.28 -0.21 -1.26 -3.97 119.66 121.83 2nx5 s GLN 2 Ca 0.00 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.13 2nx5 s GLN 2 Cb 0.00 -1.20 -0.01 0.00 1.00 0.00 0.00 33.01 32.80 2nx5 s GLN 2 CO 0.00 -0.06 -0.04 0.50 -2.12 0.00 0.00 175.29 173.57 2nx5 s ARG 3 N 0.92 0.34 0.01 2.91 6.06 0.13 -4.86 118.95 124.47 2nx5 s ARG 3 Ca -0.10 -0.25 -0.26 0.00 -2.50 0.00 0.00 55.73 52.61 2nx5 s ARG 3 Cb -0.15 -0.28 -0.04 0.00 0.06 0.00 0.00 34.95 34.54 2nx5 s ARG 3 CO 0.01 0.07 0.81 -0.08 -2.50 0.00 0.00 175.30 173.61 2nx5 s THR 4 N -0.35 4.83 -0.13 4.11 -1.32 -1.26 -2.32 115.64 119.20 2nx5 s THR 4 Ca -0.01 1.72 -0.29 0.00 -1.21 0.00 0.00 61.69 61.89 2nx5 s THR 4 Cb -0.03 -4.16 -0.02 0.00 -1.51 0.00 0.00 72.50 66.78 2nx5 s THR 4 CO -0.00 0.28 1.26 -2.16 -2.21 0.00 0.00 174.62 171.80 2nx5 s PRO 5 N 0.42 4.26 0.39 7.08 0.04 -1.26 -4.33 135.00 141.60 2nx5 s PRO 5 Ca 0.42 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 62.91 2nx5 s PRO 5 Cb -0.20 -3.72 -0.10 0.00 0.04 0.00 0.00 34.50 30.52 2nx5 s PRO 5 CO 0.23 -0.65 0.98 0.15 0.04 0.00 0.00 177.00 177.75 2nx5 s LYS 6 N 3.20 4.31 -0.06 4.56 1.02 0.05 -4.86 119.74 127.96 2nx5 s LYS 6 Ca 0.56 1.31 0.06 0.00 0.02 0.00 0.00 55.97 57.91 2nx5 s LYS 6 Cb -0.23 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 2nx5 s LYS 6 CO 0.17 0.03 -0.24 0.42 -0.92 0.00 0.00 175.35 174.80 2nx5 s ILE 7 N -1.83 2.00 -0.05 2.17 -1.09 -1.26 -2.37 121.20 118.77 2nx5 s ILE 7 Ca 0.57 -1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 2nx5 s ILE 7 Cb -0.16 -1.70 0.03 0.00 -1.58 0.00 0.00 42.46 39.05 2nx5 s ILE 7 CO 0.21 0.56 0.01 -1.10 -1.23 0.00 0.00 174.94 173.39 2nx5 s GLN 8 N -0.09 0.38 -0.09 2.79 -1.52 -0.54 -5.00 119.66 115.58 2nx5 s GLN 8 Ca -0.05 0.15 0.02 0.00 -1.95 0.00 0.00 55.36 53.53 2nx5 s GLN 8 Cb -0.14 -0.73 -0.02 0.00 -0.22 0.00 0.00 33.01 31.90 2nx5 s GLN 8 CO 0.04 -0.25 -0.16 0.08 -0.25 0.00 0.00 175.29 174.75 2nx5 s VAL 9 N 1.72 2.83 0.16 1.09 1.01 -1.26 -0.30 120.40 125.65 2nx5 s VAL 9 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2nx5 s VAL 9 Cb -0.13 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 34.19 2nx5 s VAL 9 CO -0.04 0.55 1.02 -0.72 0.00 0.00 0.00 175.10 175.92 2nx5 s TYR 10 N -0.04 -0.03 0.01 5.22 1.13 -0.82 -4.76 117.35 118.06 2nx5 s TYR 10 Ca -0.04 -0.31 0.05 0.00 -1.41 0.00 0.00 57.07 55.36 2nx5 s TYR 10 Cb -0.14 0.66 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 2nx5 s TYR 10 CO 0.04 -0.84 -0.12 -1.54 -2.51 0.00 0.00 175.55 170.58 2nx5 s SER 11 N -3.16 4.23 0.16 -0.18 1.04 -1.26 -0.34 113.70 114.20 2nx5 s SER 11 Ca 0.17 -0.25 -0.17 0.00 0.48 0.00 0.00 55.95 56.17 2nx5 s SER 11 Cb -0.01 -0.87 0.09 0.00 0.10 0.00 0.00 66.02 65.32 2nx5 s SER 11 CO 0.03 0.28 1.68 -0.09 0.98 0.00 0.00 173.24 176.12 2nx5 h ARG 12 N 4.66 0.02 -6.30 4.02 2.43 -1.66 -3.43 114.38 114.12 2nx5 h ARG 12 Ca -0.48 -0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.09 2nx5 h ARG 12 Cb 1.16 -0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 2nx5 h ARG 12 CO 0.51 0.01 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.26 2nx5 s HIS 13 N -6.21 2.54 -0.10 2.20 3.76 -1.26 -5.05 115.29 111.17 2nx5 s HIS 13 Ca -0.14 -0.26 -0.38 0.00 -0.15 0.00 0.00 55.06 54.13 2nx5 s HIS 13 Cb 0.14 -1.16 -0.15 0.00 1.11 0.00 0.00 32.58 32.51 2nx5 s HIS 13 CO 0.71 0.61 1.61 -2.30 -0.85 0.00 0.00 174.74 174.51 2nx5 n PRO 14 N -0.48 1.32 -2.34 8.40 -0.02 -1.26 -4.85 135.00 135.76 2nx5 n PRO 14 Ca -0.08 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 2nx5 n PRO 14 Cb 0.58 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.36 3.62 -0.08 3.55 0.00 -1.26 -5.02 121.76 124.93 2nx5 s ALA 15 Ca 0.92 0.61 0.01 0.00 0.00 0.00 0.00 51.96 53.50 2nx5 s ALA 15 Cb -0.97 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 18.55 2nx5 s ALA 15 CO 0.56 -1.11 -0.11 -1.21 0.00 0.00 0.00 175.76 173.89 2nx5 s GLU 16 N 3.22 1.66 0.02 0.00 2.02 -1.26 -5.11 118.70 119.25 2nx5 s GLU 16 Ca 0.59 -0.37 -0.37 0.00 0.02 0.00 0.00 54.97 54.84 2nx5 s GLU 16 Cb -0.25 -1.47 -0.16 0.00 0.10 0.00 0.00 34.13 32.35 2nx5 s GLU 16 CO 0.20 -0.06 1.48 0.09 0.02 0.00 0.00 175.26 176.99 2nx5 n ASN 17 N 4.15 2.09 0.00 -0.19 4.13 -1.26 -2.47 115.26 121.71 2nx5 n ASN 17 Ca -0.20 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.16 2nx5 n ASN 17 Cb 0.51 -1.22 0.00 0.00 -1.54 0.00 0.00 39.78 37.53 2nx5 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2nx5 n GLY 18 N 3.08 3.11 3.79 7.41 0.00 -1.04 -5.04 105.19 116.49 2nx5 n GLY 18 Ca 0.20 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 3.80 0.31 1.61 2.20 -1.03 -4.88 119.74 121.75 2nx5 s LYS 19 Ca 0.00 1.47 -0.28 0.00 -0.36 0.00 0.00 55.97 56.80 2nx5 s LYS 19 Cb 0.00 -2.20 -0.09 0.00 -1.51 0.00 0.00 37.83 34.03 2nx5 s LYS 19 CO 0.00 -0.45 1.05 0.45 -0.36 0.00 0.00 175.35 176.04 2nx5 s SER 20 N -1.80 7.21 0.34 1.43 0.15 -1.26 -4.11 113.70 115.65 2nx5 s SER 20 Ca 0.66 2.12 -0.03 0.00 0.70 0.00 0.00 55.95 59.40 2nx5 s SER 20 Cb -0.20 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2nx5 s SER 20 CO 0.24 -0.18 0.48 0.21 1.20 0.00 0.00 173.24 175.19 2nx5 s ASN 21 N -1.16 0.83 -0.10 5.45 3.84 0.11 -4.99 114.94 118.92 2nx5 s ASN 21 Ca 0.48 -1.45 0.02 0.00 0.21 0.00 0.00 52.86 52.11 2nx5 s ASN 21 Cb -0.27 0.66 -0.02 0.00 -0.55 0.00 0.00 41.25 41.07 2nx5 s ASN 21 CO 0.35 -1.30 -0.14 -0.36 -2.79 0.00 0.00 177.10 172.86 2nx5 s PHE 22 N -3.09 2.75 -0.36 0.43 0.40 -1.26 0.85 117.98 117.70 2nx5 s PHE 22 Ca 0.30 -0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 56.01 2nx5 s PHE 22 Cb -0.00 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.77 2nx5 s PHE 22 CO 0.19 -0.06 0.31 -1.17 0.70 0.00 0.00 175.22 175.19 2nx5 s LEU 23 N -0.08 4.66 -0.13 -0.37 2.96 -0.76 -1.48 118.68 123.48 2nx5 s LEU 23 Ca -0.02 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 2nx5 s LEU 23 Cb -0.14 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 2nx5 s LEU 23 CO 0.04 -0.35 0.19 0.20 -1.32 0.00 0.00 176.35 175.11 2nx5 s ASN 24 N 1.73 6.41 -0.33 3.68 0.01 0.54 -2.86 114.94 124.13 2nx5 s ASN 24 Ca 0.08 0.49 0.03 0.00 -0.71 0.00 0.00 52.86 52.75 2nx5 s ASN 24 Cb -0.17 -2.11 0.09 0.00 0.41 0.00 0.00 41.25 39.46 2nx5 s ASN 24 CO 0.11 0.31 0.02 0.00 -1.51 0.00 0.00 177.10 176.04 2nx5 s TYR 26 N 1.00 3.23 -0.12 0.00 5.04 0.59 -2.59 117.35 124.51 2nx5 s TYR 26 Ca 0.05 0.66 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 2nx5 s TYR 26 Cb -0.20 -2.96 -0.03 0.00 0.35 0.00 0.00 41.96 39.13 2nx5 s TYR 26 CO -0.06 -0.44 -0.05 0.14 -1.34 0.00 0.00 175.55 173.80 2nx5 s VAL 27 N 2.59 3.78 0.01 3.14 -7.23 -0.66 -1.47 120.40 120.56 2nx5 s VAL 27 Ca 0.26 -0.42 -0.27 0.00 -1.81 0.00 0.00 61.98 59.73 2nx5 s VAL 27 Cb -0.15 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.25 2nx5 s VAL 27 CO 0.11 0.54 0.62 -0.94 -0.31 0.00 0.00 175.10 175.12 2nx5 s SER 28 N -0.17 -0.59 0.00 4.85 1.04 -1.00 -0.33 113.70 117.51 2nx5 s SER 28 Ca 0.03 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2nx5 s SER 28 Cb -0.13 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2nx5 s SER 28 CO 0.03 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2nx5 n GLY 29 N 0.58 0.83 3.18 7.32 0.00 -0.77 -0.77 105.19 115.57 2nx5 n GLY 29 Ca -0.19 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.73 1.40 -0.03 1.61 -0.12 -1.23 -4.00 117.98 112.89 2nx5 s PHE 30 Ca 0.00 -0.37 -0.05 0.00 -0.05 0.00 0.00 56.93 56.46 2nx5 s PHE 30 Cb 0.00 -0.82 0.01 0.00 -0.63 0.00 0.00 43.02 41.57 2nx5 s PHE 30 CO 0.00 0.06 0.11 -1.58 -0.05 0.00 0.00 175.22 173.77 2nx5 s HIS 31 N -0.91 -0.07 0.00 3.49 2.46 -0.98 -1.82 115.29 117.46 2nx5 s HIS 31 Ca 0.03 0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.74 2nx5 s HIS 31 Cb -0.08 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.38 2nx5 s HIS 31 CO 0.02 -0.12 0.00 -0.35 -2.47 0.00 0.00 174.74 171.82 2nx5 n PRO 32 N 2.61 0.11 -0.00 2.88 -0.04 -1.25 0.22 135.00 139.52 2nx5 n PRO 32 Ca -0.15 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 2nx5 n PRO 32 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 2nx5 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2nx5 h SER 33 N -0.43 -0.10 -1.89 3.54 4.64 -1.98 -3.47 113.55 113.86 2nx5 h SER 33 Ca 0.00 -0.13 -0.65 0.00 -0.47 0.00 0.00 61.79 60.54 2nx5 h SER 33 Cb 0.00 0.03 0.08 0.00 -0.31 0.00 0.00 62.40 62.19 2nx5 h SER 33 CO 0.00 0.44 0.29 0.47 -0.87 0.00 0.00 176.83 177.17 2nx5 n ASP 34 N -4.84 1.37 -3.74 4.97 8.00 -1.26 -4.98 116.55 116.07 2nx5 n ASP 34 Ca -0.03 1.14 -0.11 0.00 0.71 0.00 0.00 54.79 56.50 2nx5 n ASP 34 Cb 0.11 -1.21 -0.06 0.00 -0.02 0.00 0.00 41.12 39.94 2nx5 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2nx5 s ILE 35 N -0.09 0.09 -0.77 0.53 2.07 -1.26 -4.73 121.20 117.03 2nx5 s ILE 35 Ca 0.75 -0.74 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 2nx5 s ILE 35 Cb -0.87 -1.08 0.19 0.00 0.13 0.00 0.00 42.46 40.83 2nx5 s ILE 35 CO 0.51 -0.41 0.60 -1.61 -1.91 0.00 0.00 174.94 172.13 2nx5 s GLU 36 N -3.13 2.79 -0.24 3.50 2.02 -1.01 -5.00 118.70 117.64 2nx5 s GLU 36 Ca -0.01 -3.26 -0.14 0.00 0.02 0.00 0.00 54.97 51.57 2nx5 s GLU 36 Cb 0.01 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 2nx5 s GLU 36 CO -0.07 -1.27 0.35 0.08 0.02 0.00 0.00 175.26 174.37 2nx5 s VAL 37 N -1.32 5.21 -0.04 2.63 1.01 -1.26 -2.14 120.40 124.49 2nx5 s VAL 37 Ca 0.25 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.80 2nx5 s VAL 37 Cb -0.07 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2nx5 s VAL 37 CO -0.14 0.22 -0.06 -1.81 0.00 0.00 0.00 175.10 173.32 2nx5 s ASP 38 N 1.35 0.97 -0.04 3.32 1.01 0.50 -5.01 116.67 118.76 2nx5 s ASP 38 Ca 0.15 -0.14 -0.20 0.00 0.71 0.00 0.00 52.55 53.07 2nx5 s ASP 38 Cb -0.15 -0.41 -0.05 0.00 1.01 0.00 0.00 42.92 43.32 2nx5 s ASP 38 CO 0.08 -0.02 0.56 -0.76 0.21 0.00 0.00 175.17 175.25 2nx5 s LEU 39 N 0.70 4.38 0.01 1.23 1.43 -1.26 -0.56 118.68 124.60 2nx5 s LEU 39 Ca -0.10 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.15 2nx5 s LEU 39 Cb -0.13 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 2nx5 s LEU 39 CO 0.00 0.08 -0.24 -0.76 0.23 0.00 0.00 176.35 175.66 2nx5 s LEU 40 N 0.02 2.20 -0.31 1.79 1.43 -0.43 -0.81 118.68 122.56 2nx5 s LEU 40 Ca 0.30 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2nx5 s LEU 40 Cb -0.17 -1.36 0.09 0.00 0.03 0.00 0.00 46.19 44.78 2nx5 s LEU 40 CO 0.15 0.30 0.00 -0.75 0.23 0.00 0.00 176.35 176.28 2nx5 s LYS 41 N -0.91 1.67 -1.41 1.70 2.20 0.21 -1.66 119.74 121.54 2nx5 s LYS 41 Ca 0.11 -1.67 -0.07 0.00 -0.36 0.00 0.00 55.97 53.97 2nx5 s LYS 41 Cb -0.10 -3.06 0.04 0.00 -1.51 0.00 0.00 37.83 33.20 2nx5 s LYS 41 CO 0.01 -0.83 0.92 0.09 -0.36 0.00 0.00 175.35 175.18 2nx5 n ASN 42 N 4.34 -3.65 0.00 1.43 3.02 0.12 -2.06 115.26 118.46 2nx5 n ASN 42 Ca -0.02 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 2nx5 n ASN 42 Cb 0.42 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 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 -1.66 1.40 3.53 7.41 0.00 -1.26 -5.02 105.19 109.58 2nx5 n GLY 43 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.12 3.51 0.41 1.61 0.41 -0.87 -5.04 118.70 118.60 2nx5 s GLU 44 Ca 0.00 -0.51 -0.27 0.00 -0.41 0.00 0.00 54.97 53.78 2nx5 s GLU 44 Cb 0.00 -2.87 -0.10 0.00 -1.78 0.00 0.00 34.13 29.38 2nx5 s GLU 44 CO 0.00 0.33 1.46 0.50 -0.49 0.00 0.00 175.26 177.07 2nx5 s ARG 45 N 0.11 3.94 -0.15 1.61 3.00 -1.26 0.64 118.95 126.84 2nx5 s ARG 45 Ca -0.01 2.51 -0.08 0.00 -1.00 0.00 0.00 55.73 57.16 2nx5 s ARG 45 Cb -0.14 -2.84 -0.04 0.00 0.00 0.00 0.00 34.95 31.93 2nx5 s ARG 45 CO 0.03 -0.65 0.12 0.42 0.00 0.00 0.00 175.30 175.22 2nx5 s ILE 46 N -1.15 5.35 0.49 4.11 1.01 0.01 -4.79 121.20 126.23 2nx5 s ILE 46 Ca 0.56 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 2nx5 s ILE 46 Cb -0.45 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2nx5 s ILE 46 CO 0.61 0.56 0.73 -0.70 0.00 0.00 0.00 174.94 176.13 2nx5 s GLU 47 N -0.52 2.98 -0.76 2.79 2.12 -1.26 -4.51 118.70 119.54 2nx5 s GLU 47 Ca 0.12 -0.42 -0.05 0.00 0.36 0.00 0.00 54.97 54.99 2nx5 s GLU 47 Cb -0.12 -2.49 0.01 0.00 0.26 0.00 0.00 34.13 31.79 2nx5 s GLU 47 CO 0.02 -0.41 0.66 1.17 -0.54 0.00 0.00 175.26 176.16 2nx5 n LYS 48 N -2.21 -4.45 -2.75 4.30 4.81 -1.26 -4.99 118.16 111.61 2nx5 n LYS 48 Ca 0.03 0.47 -0.43 0.00 -0.87 0.00 0.00 58.31 57.51 2nx5 n LYS 48 Cb 0.58 -4.41 -0.03 0.00 0.02 0.00 0.00 35.03 31.19 2nx5 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2nx5 s VAL 49 N -3.18 4.55 0.86 3.15 1.01 -1.26 -4.81 120.40 120.72 2nx5 s VAL 49 Ca 0.31 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 2nx5 s VAL 49 Cb -0.13 -4.36 0.10 0.00 0.00 0.00 0.00 36.38 31.99 2nx5 s VAL 49 CO 0.41 -0.52 1.10 -1.61 0.00 0.00 0.00 175.10 174.48 2nx5 s GLU 50 N 3.55 1.59 -0.25 2.72 0.41 -0.23 -4.88 118.70 121.62 2nx5 s GLU 50 Ca 0.41 0.68 -0.18 0.00 -0.41 0.00 0.00 54.97 55.47 2nx5 s GLU 50 Cb -0.12 -1.86 0.07 0.00 -1.78 0.00 0.00 34.13 30.44 2nx5 s GLU 50 CO 0.18 -1.97 0.63 -3.38 -0.49 0.00 0.00 175.26 170.23 2nx5 s HIS 51 N -3.07 -0.83 0.62 1.61 -3.43 -1.26 -2.27 115.29 106.67 2nx5 s HIS 51 Ca 0.62 1.82 -0.16 0.00 -0.80 0.00 0.00 55.06 56.54 2nx5 s HIS 51 Cb -0.16 0.39 -0.02 0.00 -1.43 0.00 0.00 32.58 31.36 2nx5 s HIS 51 CO 0.55 -0.41 1.10 -1.54 -2.00 0.00 0.00 174.74 172.45 2nx5 s SER 52 N 0.95 5.39 0.30 7.38 1.04 -0.67 -4.97 113.70 123.14 2nx5 s SER 52 Ca -0.05 2.01 -0.29 0.00 0.48 0.00 0.00 55.95 58.10 2nx5 s SER 52 Cb -0.05 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.39 2nx5 s SER 52 CO -0.09 -1.44 1.40 0.47 0.98 0.00 0.00 173.24 174.57 2nx5 n ASP 53 N -2.05 3.06 -4.67 7.02 8.00 -1.26 -4.66 116.55 121.98 2nx5 n ASP 53 Ca 0.10 1.18 -0.45 0.00 0.71 0.00 0.00 54.79 56.33 2nx5 n ASP 53 Cb 0.52 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.08 2nx5 n ASP 53 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2nx5 n LEU 54 N 1.43 3.78 -4.33 0.64 7.94 -1.26 -4.94 117.00 120.27 2nx5 n LEU 54 Ca 0.07 0.95 -0.18 0.00 -1.11 0.00 0.00 56.01 55.74 2nx5 n LEU 54 Cb 0.35 -1.45 -0.09 0.00 0.53 0.00 0.00 43.42 42.76 2nx5 n LEU 54 CO 0.63 0.06 -0.20 -0.55 -1.11 0.00 0.00 177.39 176.23 2nx5 s SER 55 N 4.04 1.49 0.18 1.96 0.15 -1.25 -5.08 113.70 115.19 2nx5 s SER 55 Ca 0.90 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2nx5 s SER 55 Cb -0.57 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2nx5 s SER 55 CO 0.46 -0.89 0.23 2.22 1.20 0.00 0.00 173.24 176.46 2nx5 n PHE 56 N -0.57 -0.82 -4.55 3.44 -1.74 -1.26 -2.56 117.46 109.39 2nx5 n PHE 56 Ca 0.01 -1.31 -0.26 0.00 -0.56 0.00 0.00 57.45 55.34 2nx5 n PHE 56 Cb 0.65 0.25 -0.10 0.00 1.52 0.00 0.00 39.48 41.80 2nx5 n PHE 56 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2nx5 s SER 57 N -2.17 3.12 0.35 5.98 1.04 -0.63 -4.93 113.70 116.46 2nx5 s SER 57 Ca 0.17 -1.46 0.16 0.00 0.48 0.00 0.00 55.95 55.30 2nx5 s SER 57 Cb -0.00 -0.00 1.17 0.00 0.10 0.00 0.00 66.02 67.28 2nx5 s SER 57 CO 0.12 -0.64 1.60 0.11 0.98 0.00 0.00 173.24 175.40 2nx5 h LYS 58 N 1.86 0.07 -0.51 4.02 1.79 -2.03 0.31 116.57 122.08 2nx5 h LYS 58 Ca -0.41 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2nx5 h LYS 58 Cb 1.26 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2nx5 h LYS 58 CO 0.72 0.05 0.00 -0.40 -1.08 0.00 0.00 179.45 178.74 2nx5 n ASP 59 N -5.25 2.44 0.00 0.86 5.68 -1.26 -4.91 116.55 114.10 2nx5 n ASP 59 Ca 0.33 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 2nx5 n ASP 59 Cb 1.11 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 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 0.49 0.00 -2.08 2.11 5.03 0.11 -5.03 117.44 118.08 2nx5 n TRP 60 Ca 0.13 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.24 2nx5 n TRP 60 Cb 0.45 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.70 2nx5 n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2nx5 s SER 61 N -1.01 6.73 0.74 -0.99 1.04 -1.26 -4.56 113.70 114.39 2nx5 s SER 61 Ca 0.00 2.55 -0.11 0.00 0.48 0.00 0.00 55.95 58.87 2nx5 s SER 61 Cb 0.00 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.54 2nx5 s SER 61 CO 0.00 -0.66 1.09 -0.36 0.98 0.00 0.00 173.24 174.29 2nx5 s PHE 62 N 0.27 3.12 -0.00 5.02 0.08 -0.75 -1.60 117.98 124.11 2nx5 s PHE 62 Ca 0.60 1.13 -0.18 0.00 0.12 0.00 0.00 56.93 58.60 2nx5 s PHE 62 Cb -0.40 -3.06 0.03 0.00 -0.57 0.00 0.00 43.02 39.02 2nx5 s PHE 62 CO 0.39 -1.40 0.39 1.52 -0.10 0.00 0.00 175.22 176.03 2nx5 s TYR 63 N -3.24 -0.28 -0.07 0.36 -0.85 -1.06 -1.84 117.35 110.36 2nx5 s TYR 63 Ca 0.59 0.39 -0.10 0.00 -0.52 0.00 0.00 57.07 57.43 2nx5 s TYR 63 Cb -0.13 0.18 0.02 0.00 0.38 0.00 0.00 41.96 42.41 2nx5 s TYR 63 CO 0.53 -0.47 0.25 -0.51 -1.52 0.00 0.00 175.55 173.83 2nx5 s LEU 64 N -1.49 1.04 -0.51 -3.49 1.43 0.55 -3.93 118.68 112.28 2nx5 s LEU 64 Ca -0.11 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2nx5 s LEU 64 Cb -0.03 0.93 0.13 0.00 0.03 0.00 0.00 46.19 47.25 2nx5 s LEU 64 CO 0.03 -0.18 0.32 -0.22 0.23 0.00 0.00 176.35 176.54 2nx5 s LEU 65 N -0.27 5.35 0.04 1.79 2.96 -1.26 -1.65 118.68 125.64 2nx5 s LEU 65 Ca -0.04 -2.33 -0.22 0.00 -0.22 0.00 0.00 54.13 51.32 2nx5 s LEU 65 Cb -0.03 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.73 2nx5 s LEU 65 CO 0.01 -0.50 0.66 -0.31 -1.32 0.00 0.00 176.35 174.89 2nx5 s TYR 66 N 0.72 3.74 0.08 5.38 1.51 -1.07 -1.67 117.35 126.04 2nx5 s TYR 66 Ca 0.11 1.34 -0.23 0.00 -1.01 0.00 0.00 57.07 57.27 2nx5 s TYR 66 Cb -0.22 -2.68 0.06 0.00 -0.11 0.00 0.00 41.96 39.01 2nx5 s TYR 66 CO -0.04 0.37 0.56 1.52 -1.11 0.00 0.00 175.55 176.86 2nx5 s TYR 67 N -0.34 -0.48 -0.03 2.71 1.13 -0.96 0.14 117.35 119.51 2nx5 s TYR 67 Ca 0.34 0.47 -0.20 0.00 -1.41 0.00 0.00 57.07 56.27 2nx5 s TYR 67 Cb -0.20 0.42 0.04 0.00 -1.10 0.00 0.00 41.96 41.13 2nx5 s TYR 67 CO 0.20 -0.72 0.43 -0.08 -2.51 0.00 0.00 175.55 172.87 2nx5 s THR 68 N -2.85 0.04 0.05 -3.49 -1.32 -1.13 -1.06 115.64 105.88 2nx5 s THR 68 Ca -0.03 -0.32 -0.31 0.00 -1.21 0.00 0.00 61.69 59.82 2nx5 s THR 68 Cb -0.00 -0.74 -0.06 0.00 -1.51 0.00 0.00 72.50 70.19 2nx5 s THR 68 CO -0.05 -0.17 1.26 -0.70 -2.21 0.00 0.00 174.62 172.75 2nx5 s GLU 69 N -1.28 4.38 0.05 7.08 2.12 -1.26 -1.83 118.70 127.96 2nx5 s GLU 69 Ca -0.13 1.85 -0.02 0.00 0.36 0.00 0.00 54.97 57.03 2nx5 s GLU 69 Cb -0.04 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2nx5 s GLU 69 CO 0.06 -0.35 -0.00 -0.59 -0.54 0.00 0.00 175.26 173.84 2nx5 s PHE 70 N 1.36 0.42 -0.25 5.30 -0.71 0.25 -4.94 117.98 119.40 2nx5 s PHE 70 Ca 0.60 -0.89 0.01 0.00 -1.04 0.00 0.00 56.93 55.61 2nx5 s PHE 70 Cb -0.31 -0.31 0.04 0.00 -1.21 0.00 0.00 43.02 41.24 2nx5 s PHE 70 CO 0.28 -0.36 -0.10 0.99 -1.34 0.00 0.00 175.22 174.70 2nx5 s THR 71 N -3.40 2.45 0.28 -4.49 2.01 -1.26 0.08 115.64 111.31 2nx5 s THR 71 Ca 0.02 -1.34 -0.27 0.00 0.31 0.00 0.00 61.69 60.41 2nx5 s THR 71 Cb 0.04 -2.32 -0.09 0.00 0.01 0.00 0.00 72.50 70.13 2nx5 s THR 71 CO -0.08 0.10 0.92 -2.16 -0.69 0.00 0.00 174.62 172.71 2nx5 s PRO 72 N 1.21 4.64 0.31 4.92 0.05 -1.26 -4.91 135.00 139.97 2nx5 s PRO 72 Ca -0.04 1.33 0.03 0.00 0.05 0.00 0.00 61.00 62.38 2nx5 s PRO 72 Cb -0.18 -2.97 -0.04 0.00 0.05 0.00 0.00 34.50 31.36 2nx5 s PRO 72 CO -0.06 0.37 0.15 0.95 0.05 0.00 0.00 177.00 178.47 2nx5 s THR 73 N -1.46 0.40 -0.03 1.26 -4.23 -1.26 -2.51 115.64 107.82 2nx5 s THR 73 Ca 0.46 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.22 2nx5 s THR 73 Cb -0.21 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.38 2nx5 s THR 73 CO 0.26 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.77 2nx5 h GLU 74 N 2.17 0.00 0.00 3.99 5.08 -2.01 -3.33 114.58 120.48 2nx5 h GLU 74 Ca -0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2nx5 h GLU 74 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2nx5 h GLU 74 CO 0.53 0.17 -0.14 0.87 -1.00 0.00 0.00 179.01 179.45 2nx5 h LYS 75 N 0.00 0.00 -6.41 2.33 1.57 -2.02 -3.46 116.57 108.59 2nx5 h LYS 75 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2nx5 h LYS 75 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.16 2nx5 h LYS 75 CO 0.02 0.16 0.92 -0.51 -0.57 0.00 0.00 179.45 179.47 2nx5 s ASP 76 N -5.71 6.73 -0.20 0.86 1.01 -1.25 -5.00 116.67 113.10 2nx5 s ASP 76 Ca -0.06 2.29 -0.01 0.00 0.71 0.00 0.00 52.55 55.48 2nx5 s ASP 76 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2nx5 s ASP 76 CO 0.15 -0.81 -0.12 -0.70 0.21 0.00 0.00 175.17 173.90 2nx5 s GLU 77 N 2.56 3.17 0.27 8.23 2.12 -1.26 -4.46 118.70 129.34 2nx5 s GLU 77 Ca 0.69 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 55.35 2nx5 s GLU 77 Cb -0.35 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 2nx5 s GLU 77 CO 0.29 -0.21 0.30 0.71 -0.54 0.00 0.00 175.26 175.81 2nx5 s TYR 78 N 1.38 3.19 0.30 5.30 2.02 -1.26 -0.70 117.35 127.57 2nx5 s TYR 78 Ca 0.05 -0.12 -0.14 0.00 -0.37 0.00 0.00 57.07 56.49 2nx5 s TYR 78 Cb -0.14 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.85 2nx5 s TYR 78 CO -0.08 0.38 0.60 0.00 -1.57 0.00 0.00 175.55 174.88 2nx5 s ALA 79 N -2.11 -0.45 -0.02 3.71 0.00 -0.67 -1.81 121.76 120.41 2nx5 s ALA 79 Ca 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2nx5 s ALA 79 Cb -0.08 0.95 0.02 0.00 0.00 0.00 0.00 23.12 24.01 2nx5 s ALA 79 CO 0.27 -0.92 0.01 0.00 0.00 0.00 0.00 175.76 175.13 2nx5 s ARG 81 N 0.90 2.42 -0.00 0.00 3.52 0.27 -0.19 118.95 125.87 2nx5 s ARG 81 Ca -0.08 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 2nx5 s ARG 81 Cb -0.11 -1.92 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 2nx5 s ARG 81 CO -0.02 0.18 -0.02 0.08 -0.81 0.00 0.00 175.30 174.70 2nx5 s VAL 82 N 0.31 0.18 -0.08 7.11 1.01 -0.61 -0.37 120.40 127.95 2nx5 s VAL 82 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2nx5 s VAL 82 Cb -0.16 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.08 2nx5 s VAL 82 CO 0.06 0.06 -0.06 0.21 0.00 0.00 0.00 175.10 175.37 2nx5 s ASN 83 N 0.01 1.68 0.50 3.32 3.04 -0.91 -1.53 114.94 121.06 2nx5 s ASN 83 Ca 0.00 -0.20 0.06 0.00 0.04 0.00 0.00 52.86 52.76 2nx5 s ASN 83 Cb -0.02 -0.64 0.01 0.00 -1.54 0.00 0.00 41.25 39.06 2nx5 s ASN 83 CO -0.00 -0.10 0.34 -2.28 -3.04 0.00 0.00 177.10 172.02 2nx5 s HIS 84 N 1.44 1.95 0.51 0.43 5.65 -1.26 -2.39 115.29 121.61 2nx5 s HIS 84 Ca -0.02 -0.76 0.16 0.00 0.25 0.00 0.00 55.06 54.70 2nx5 s HIS 84 Cb -0.13 -1.94 1.23 0.00 -1.18 0.00 0.00 32.58 30.56 2nx5 s HIS 84 CO -0.04 -0.28 2.12 -0.24 -0.65 0.00 0.00 174.74 175.65 2nx5 h VAL 85 N 0.93 1.00 0.00 0.89 3.04 -1.95 -2.92 116.25 117.25 2nx5 h VAL 85 Ca -0.39 -0.15 -0.06 0.00 -1.01 0.00 0.00 66.70 65.09 2nx5 h VAL 85 Cb 1.29 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2nx5 h VAL 85 CO 0.60 0.04 -0.28 0.71 -1.01 0.00 0.00 177.57 177.64 2nx5 h THR 86 N 0.00 0.57 -3.43 3.17 1.35 -1.92 -3.45 112.91 109.21 2nx5 h THR 86 Ca -0.00 -1.42 -0.51 0.00 -0.55 0.00 0.00 66.41 63.93 2nx5 h THR 86 Cb 0.08 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 2nx5 h THR 86 CO 0.01 0.27 -0.04 -0.76 -0.25 0.00 0.00 175.52 174.75 2nx5 s LEU 87 N -6.61 3.99 -0.07 3.87 1.43 -1.10 -5.04 118.68 115.15 2nx5 s LEU 87 Ca 0.02 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2nx5 s LEU 87 Cb 0.09 -3.74 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 2nx5 s LEU 87 CO 0.67 -0.25 0.05 0.28 0.23 0.00 0.00 176.35 177.33 2nx5 h SER 88 N 1.67 -0.03 -2.22 2.29 0.02 -1.88 -3.45 113.55 109.95 2nx5 h SER 88 Ca -0.47 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.87 2nx5 h SER 88 Cb 1.19 0.01 -0.13 0.00 0.14 0.00 0.00 62.40 63.60 2nx5 h SER 88 CO 0.66 0.32 -0.75 0.00 -1.14 0.00 0.00 176.83 175.92 2nx5 s GLN 89 N -1.52 1.76 0.19 3.45 -2.07 -1.26 -5.10 119.66 115.11 2nx5 s GLN 89 Ca -0.00 -1.72 -0.33 0.00 -1.82 0.00 0.00 55.36 51.48 2nx5 s GLN 89 Cb 0.00 -1.82 -0.13 0.00 -1.09 0.00 0.00 33.01 29.97 2nx5 s GLN 89 CO 0.01 0.34 1.55 -2.30 -1.32 0.00 0.00 175.29 173.57 2nx5 n PRO 90 N -0.65 2.21 -3.42 9.60 -0.02 -1.26 -4.94 135.00 136.52 2nx5 n PRO 90 Ca -0.05 0.79 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 2nx5 n PRO 90 Cb 0.60 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.57 4.26 -0.23 -0.52 2.20 -0.58 -4.91 119.74 120.54 2nx5 s LYS 91 Ca 0.75 0.24 -0.09 0.00 -0.36 0.00 0.00 55.97 56.52 2nx5 s LYS 91 Cb -0.65 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 2nx5 s LYS 91 CO 0.40 0.13 0.10 0.42 -0.36 0.00 0.00 175.35 176.05 2nx5 s ILE 92 N 0.76 4.86 -0.15 5.43 1.01 -1.26 -1.58 121.20 130.27 2nx5 s ILE 92 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2nx5 s ILE 92 Cb -0.14 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.09 2nx5 s ILE 92 CO 0.07 0.37 -0.20 -0.69 0.00 0.00 0.00 174.94 174.49 2nx5 s VAL 93 N 1.05 2.21 0.40 2.92 1.01 0.73 -4.99 120.40 123.73 2nx5 s VAL 93 Ca 0.05 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 2nx5 s VAL 93 Cb -0.14 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 2nx5 s VAL 93 CO 0.04 0.54 0.78 -0.54 0.00 0.00 0.00 175.10 175.92 2nx5 s LYS 94 N 0.94 3.82 -0.16 2.72 1.02 -1.26 -0.31 119.74 126.51 2nx5 s LYS 94 Ca -0.04 0.54 -0.18 0.00 0.02 0.00 0.00 55.97 56.31 2nx5 s LYS 94 Cb -0.15 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2nx5 s LYS 94 CO -0.04 -0.03 0.49 -0.46 -0.92 0.00 0.00 175.35 174.39 2nx5 s TRP 95 N -2.34 3.44 -0.11 3.18 -0.00 -0.75 -4.87 118.94 117.49 2nx5 s TRP 95 Ca 0.52 0.82 -0.00 0.00 -0.00 0.00 0.00 56.10 57.45 2nx5 s TRP 95 Cb -0.10 -2.60 0.02 0.00 -0.00 0.00 0.00 33.47 30.79 2nx5 s TRP 95 CO 0.29 0.04 -0.09 0.34 -0.00 0.00 0.00 176.95 177.53 2nx5 s ASP 96 N 0.88 2.21 0.37 5.86 2.15 -1.26 -4.74 116.67 122.14 2nx5 s ASP 96 Ca 0.25 -0.33 0.20 0.00 0.43 0.00 0.00 52.55 53.10 2nx5 s ASP 96 Cb -0.15 -0.89 1.10 0.00 -0.30 0.00 0.00 42.92 42.68 2nx5 s ASP 96 CO 0.10 -0.10 1.58 0.08 -0.17 0.00 0.00 175.17 176.66 2nx5 h ARG 97 N 8.05 0.00 -0.66 4.34 0.11 -1.97 0.41 114.38 124.66 2nx5 h ARG 97 Ca -0.31 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.48 2nx5 h ARG 97 Cb 1.14 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 32.04 2nx5 h ARG 97 CO 0.43 0.00 0.27 -0.25 0.10 0.00 0.00 179.97 180.52 2nx5 n ASP 98 N -2.27 3.60 0.00 0.08 8.00 -1.26 -4.81 116.55 119.89 2nx5 n ASP 98 Ca -0.01 -3.52 0.00 0.00 0.71 0.00 0.00 54.79 51.96 2nx5 n ASP 98 Cb 0.18 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 2nx5 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04