#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 1.86 -0.02 6.28 -0.21 -1.26 -4.52 119.66 121.80 2nx5 s GLN 2 Ca 0.00 -0.80 0.01 0.00 0.02 0.00 0.00 55.36 54.59 2nx5 s GLN 2 Cb 0.00 -1.77 0.01 0.00 1.00 0.00 0.00 33.01 32.25 2nx5 s GLN 2 CO 0.00 0.46 -0.02 1.03 -2.12 0.00 0.00 175.29 174.64 2nx5 s ARG 3 N -0.47 0.34 0.20 2.91 0.52 -0.19 -4.90 118.95 117.36 2nx5 s ARG 3 Ca 0.07 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 2nx5 s ARG 3 Cb -0.09 -0.40 -0.08 0.00 0.52 0.00 0.00 34.95 34.90 2nx5 s ARG 3 CO -0.00 -0.01 1.23 -0.08 0.02 0.00 0.00 175.30 176.45 2nx5 s THR 4 N 0.38 3.45 0.35 0.02 -1.32 -1.26 -2.27 115.64 114.99 2nx5 s THR 4 Ca -0.04 1.22 -0.28 0.00 -1.21 0.00 0.00 61.69 61.39 2nx5 s THR 4 Cb -0.07 -3.78 -0.10 0.00 -1.51 0.00 0.00 72.50 67.04 2nx5 s THR 4 CO -0.01 0.20 1.31 -2.16 -2.21 0.00 0.00 174.62 171.75 2nx5 s PRO 5 N -0.30 4.25 0.20 7.08 0.04 -1.26 -4.42 135.00 140.59 2nx5 s PRO 5 Ca 0.53 2.21 -0.06 0.00 0.04 0.00 0.00 61.00 63.72 2nx5 s PRO 5 Cb -0.34 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 2nx5 s PRO 5 CO 0.38 -0.28 0.47 0.15 0.04 0.00 0.00 177.00 177.76 2nx5 s LYS 6 N -1.93 3.68 -0.05 4.56 1.02 0.07 -4.95 119.74 122.16 2nx5 s LYS 6 Ca 0.51 0.05 0.03 0.00 0.02 0.00 0.00 55.97 56.58 2nx5 s LYS 6 Cb -0.39 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2nx5 s LYS 6 CO 0.52 0.37 -0.13 0.42 -0.92 0.00 0.00 175.35 175.61 2nx5 s ILE 7 N -1.80 1.13 -0.06 2.17 1.01 -1.26 -2.47 121.20 119.91 2nx5 s ILE 7 Ca 0.44 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2nx5 s ILE 7 Cb -0.11 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.37 2nx5 s ILE 7 CO 0.24 0.34 -0.06 -1.10 0.00 0.00 0.00 174.94 174.37 2nx5 s GLN 8 N 0.35 1.11 -0.21 2.79 -0.21 -0.93 -5.00 119.66 117.56 2nx5 s GLN 8 Ca -0.08 -0.16 -0.03 0.00 0.02 0.00 0.00 55.36 55.10 2nx5 s GLN 8 Cb -0.13 -1.11 -0.00 0.00 1.00 0.00 0.00 33.01 32.77 2nx5 s GLN 8 CO 0.02 -0.12 -0.07 0.08 -2.12 0.00 0.00 175.29 173.08 2nx5 s VAL 9 N 1.16 3.16 -0.04 1.09 1.01 -1.26 -0.12 120.40 125.39 2nx5 s VAL 9 Ca -0.07 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 2nx5 s VAL 9 Cb -0.14 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.87 2nx5 s VAL 9 CO -0.01 0.44 0.50 -0.72 0.00 0.00 0.00 175.10 175.31 2nx5 s TYR 10 N 1.43 -0.44 0.27 5.22 1.13 -1.02 -4.67 117.35 119.28 2nx5 s TYR 10 Ca 0.05 0.76 -0.22 0.00 -1.41 0.00 0.00 57.07 56.25 2nx5 s TYR 10 Cb -0.14 0.26 -0.09 0.00 -1.10 0.00 0.00 41.96 40.89 2nx5 s TYR 10 CO -0.05 -0.49 0.82 -1.54 -2.51 0.00 0.00 175.55 171.78 2nx5 s SER 11 N -1.17 7.17 0.17 -0.18 1.04 -1.26 0.04 113.70 119.50 2nx5 s SER 11 Ca -0.12 1.59 -0.15 0.00 0.48 0.00 0.00 55.95 57.76 2nx5 s SER 11 Cb -0.03 -2.49 0.08 0.00 0.10 0.00 0.00 66.02 63.69 2nx5 s SER 11 CO 0.07 -0.02 1.79 -0.09 0.98 0.00 0.00 173.24 175.97 2nx5 h ARG 12 N 3.27 0.46 -5.35 4.02 2.43 -0.91 -3.44 114.38 114.86 2nx5 h ARG 12 Ca -0.47 -0.03 -0.40 0.00 -0.81 0.00 0.00 59.98 58.27 2nx5 h ARG 12 Cb 1.19 -0.10 -0.18 0.00 -0.42 0.00 0.00 29.97 30.45 2nx5 h ARG 12 CO 0.65 0.30 -0.76 -1.01 -1.51 0.00 0.00 179.97 177.65 2nx5 s HIS 13 N -6.15 1.35 -0.30 2.20 3.76 -1.26 -5.03 115.29 109.86 2nx5 s HIS 13 Ca -0.13 -0.56 -0.27 0.00 -0.15 0.00 0.00 55.06 53.95 2nx5 s HIS 13 Cb 0.12 -0.71 -0.11 0.00 1.11 0.00 0.00 32.58 32.99 2nx5 s HIS 13 CO 0.73 0.12 1.22 -2.30 -0.85 0.00 0.00 174.74 173.66 2nx5 n PRO 14 N 0.57 0.00 -1.74 8.40 -0.02 -1.26 -4.72 135.00 136.23 2nx5 n PRO 14 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.91 2nx5 n PRO 14 Cb 0.57 -0.90 -0.03 0.00 -0.02 0.00 0.00 33.50 33.12 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 3.25 2.57 -0.10 3.55 0.00 -1.26 -4.97 121.76 124.80 2nx5 s ALA 15 Ca 0.70 0.43 0.03 0.00 0.00 0.00 0.00 51.96 53.13 2nx5 s ALA 15 Cb -0.90 -4.11 0.01 0.00 0.00 0.00 0.00 23.12 18.12 2nx5 s ALA 15 CO 0.41 -3.07 -0.21 -1.21 0.00 0.00 0.00 175.76 171.68 2nx5 s GLU 16 N 6.49 2.75 0.25 0.00 2.02 -1.26 -5.11 118.70 123.83 2nx5 s GLU 16 Ca 0.92 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 54.83 2nx5 s GLU 16 Cb -0.26 -2.14 -0.12 0.00 0.10 0.00 0.00 34.13 31.71 2nx5 s GLU 16 CO 0.32 0.10 1.66 -0.80 0.02 0.00 0.00 175.26 176.56 2nx5 s ASN 17 N 0.53 6.38 0.00 -0.19 -0.87 -1.26 -2.44 114.94 117.09 2nx5 s ASN 17 Ca -0.15 2.90 0.00 0.00 -1.57 0.00 0.00 52.86 54.04 2nx5 s ASN 17 Cb -0.17 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.44 2nx5 s ASN 17 CO 0.05 -0.94 0.00 0.61 -2.57 0.00 0.00 177.10 174.25 2nx5 n GLY 18 N 3.13 2.92 3.79 0.66 0.00 -1.22 -5.04 105.19 109.43 2nx5 n GLY 18 Ca 0.12 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 2nx5 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nx5 s LYS 19 N 0.00 4.19 0.10 1.61 1.02 -1.02 -4.99 119.74 120.65 2nx5 s LYS 19 Ca 0.00 1.40 -0.24 0.00 0.02 0.00 0.00 55.97 57.15 2nx5 s LYS 19 Cb 0.00 -2.47 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 2nx5 s LYS 19 CO 0.00 -0.10 0.74 -1.54 -0.92 0.00 0.00 175.35 173.54 2nx5 s SER 20 N -1.72 7.27 0.12 2.83 1.04 -1.26 -4.54 113.70 117.43 2nx5 s SER 20 Ca 0.58 1.50 -0.01 0.00 0.48 0.00 0.00 55.95 58.51 2nx5 s SER 20 Cb -0.19 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2nx5 s SER 20 CO 0.24 0.13 0.17 0.59 0.98 0.00 0.00 173.24 175.34 2nx5 n ASN 21 N 2.18 -0.46 -4.36 7.02 3.02 -0.81 -5.01 115.26 116.84 2nx5 n ASN 21 Ca -0.05 -1.62 -0.33 0.00 -0.03 0.00 0.00 54.58 52.55 2nx5 n ASN 21 Cb 0.50 0.86 -0.14 0.00 -0.61 0.00 0.00 39.78 40.38 2nx5 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2nx5 s PHE 22 N -4.44 2.84 -0.01 3.10 0.40 -1.26 -1.15 117.98 117.46 2nx5 s PHE 22 Ca 0.09 -0.71 -0.20 0.00 -0.60 0.00 0.00 56.93 55.52 2nx5 s PHE 22 Cb -0.00 -1.88 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 2nx5 s PHE 22 CO 0.07 -0.27 0.57 -1.17 0.70 0.00 0.00 175.22 175.12 2nx5 s LEU 23 N 0.53 4.41 0.10 -0.37 2.96 0.53 -0.14 118.68 126.69 2nx5 s LEU 23 Ca -0.08 1.12 0.07 0.00 -0.22 0.00 0.00 54.13 55.02 2nx5 s LEU 23 Cb -0.16 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 2nx5 s LEU 23 CO 0.04 0.11 -0.11 0.20 -1.32 0.00 0.00 176.35 175.27 2nx5 s ASN 24 N -0.19 4.31 -0.33 3.68 0.01 0.11 -2.34 114.94 120.18 2nx5 s ASN 24 Ca 0.30 -0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 52.04 2nx5 s ASN 24 Cb -0.18 -0.80 0.11 0.00 0.41 0.00 0.00 41.25 40.79 2nx5 s ASN 24 CO 0.16 0.19 0.13 0.00 -1.51 0.00 0.00 177.10 176.07 2nx5 s TYR 26 N 1.51 2.92 -0.12 0.00 5.04 0.83 -2.79 117.35 124.72 2nx5 s TYR 26 Ca 0.11 -0.60 -0.17 0.00 -2.44 0.00 0.00 57.07 53.98 2nx5 s TYR 26 Cb -0.18 -3.92 -0.04 0.00 0.35 0.00 0.00 41.96 38.16 2nx5 s TYR 26 CO -0.22 -1.29 0.42 0.14 -1.34 0.00 0.00 175.55 173.25 2nx5 s VAL 27 N 3.13 5.21 0.06 3.14 -7.23 -0.86 -2.18 120.40 121.67 2nx5 s VAL 27 Ca 0.18 0.82 -0.22 0.00 -1.81 0.00 0.00 61.98 60.95 2nx5 s VAL 27 Cb -0.19 -3.75 0.05 0.00 0.56 0.00 0.00 36.38 33.05 2nx5 s VAL 27 CO 0.11 0.36 0.51 -0.94 -0.31 0.00 0.00 175.10 174.83 2nx5 s SER 28 N 0.45 -0.42 0.00 4.85 1.04 -1.03 -0.98 113.70 117.61 2nx5 s SER 28 Ca 0.23 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2nx5 s SER 28 Cb -0.15 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2nx5 s SER 28 CO 0.09 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2nx5 n GLY 29 N 0.33 0.46 3.64 7.32 0.00 -0.85 -0.75 105.19 115.34 2nx5 n GLY 29 Ca -0.18 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 3.02 -0.03 1.61 -0.12 -1.22 -4.39 117.98 114.84 2nx5 s PHE 30 Ca 0.00 0.06 -0.01 0.00 -0.05 0.00 0.00 56.93 56.92 2nx5 s PHE 30 Cb 0.00 -1.68 0.02 0.00 -0.63 0.00 0.00 43.02 40.73 2nx5 s PHE 30 CO 0.00 0.42 0.06 -1.58 -0.05 0.00 0.00 175.22 174.07 2nx5 s HIS 31 N -0.99 -0.05 0.59 3.49 2.46 -0.96 -1.62 115.29 118.21 2nx5 s HIS 31 Ca 0.17 0.20 -0.10 0.00 0.47 0.00 0.00 55.06 55.80 2nx5 s HIS 31 Cb -0.11 -0.09 0.14 0.00 -0.13 0.00 0.00 32.58 32.39 2nx5 s HIS 31 CO 0.07 -0.08 0.61 -0.35 -2.47 0.00 0.00 174.74 172.53 2nx5 n PRO 32 N 3.67 -1.61 0.09 2.88 -0.04 -1.26 -1.02 135.00 137.71 2nx5 n PRO 32 Ca -0.20 -0.97 -0.06 0.00 -0.04 0.00 0.00 63.50 62.23 2nx5 n PRO 32 Cb 0.55 -0.80 -0.02 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.55 0.07 -3.01 3.54 4.64 -1.98 -3.46 113.55 111.80 2nx5 h SER 33 Ca -0.22 -0.06 -0.53 0.00 -0.47 0.00 0.00 61.79 60.51 2nx5 h SER 33 Cb 0.64 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2nx5 h SER 33 CO 0.15 0.92 0.73 -1.81 -0.87 0.00 0.00 176.83 175.94 2nx5 s ASP 34 N -6.81 6.87 -0.01 4.97 1.01 -1.26 -5.00 116.67 116.44 2nx5 s ASP 34 Ca -0.01 2.23 -0.19 0.00 0.71 0.00 0.00 52.55 55.30 2nx5 s ASP 34 Cb 0.11 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.49 2nx5 s ASP 34 CO 0.81 -0.64 0.40 -0.51 0.21 0.00 0.00 175.17 175.44 2nx5 s ILE 35 N 1.41 0.05 -0.30 0.77 2.07 -1.26 -4.56 121.20 119.38 2nx5 s ILE 35 Ca 0.64 -0.39 0.03 0.00 -1.41 0.00 0.00 60.65 59.52 2nx5 s ILE 35 Cb -0.34 -0.76 0.08 0.00 0.13 0.00 0.00 42.46 41.56 2nx5 s ILE 35 CO 0.29 -0.21 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.47 2nx5 s GLU 36 N -1.54 1.96 -0.32 3.50 2.02 -0.75 -5.02 118.70 118.55 2nx5 s GLU 36 Ca -0.11 -1.56 -0.07 0.00 0.02 0.00 0.00 54.97 53.25 2nx5 s GLU 36 Cb -0.03 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.16 2nx5 s GLU 36 CO 0.04 -0.73 0.11 0.08 0.02 0.00 0.00 175.26 174.78 2nx5 s VAL 37 N 1.04 3.98 -0.19 2.63 1.01 -1.26 -1.80 120.40 125.81 2nx5 s VAL 37 Ca -0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2nx5 s VAL 37 Cb -0.20 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2nx5 s VAL 37 CO -0.06 -0.06 -0.04 -1.81 0.00 0.00 0.00 175.10 173.13 2nx5 s ASP 38 N 1.47 4.46 -0.27 3.32 1.01 0.18 -4.99 116.67 121.84 2nx5 s ASP 38 Ca 0.01 -0.30 -0.14 0.00 0.71 0.00 0.00 52.55 52.84 2nx5 s ASP 38 Cb -0.18 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 41.96 2nx5 s ASP 38 CO 0.03 0.06 0.32 -0.76 0.21 0.00 0.00 175.17 175.03 2nx5 s LEU 39 N 1.02 4.04 0.51 1.23 1.43 -1.26 0.10 118.68 125.75 2nx5 s LEU 39 Ca 0.01 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2nx5 s LEU 39 Cb -0.15 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.75 2nx5 s LEU 39 CO 0.00 -0.14 0.75 -0.76 0.23 0.00 0.00 176.35 176.44 2nx5 s LEU 40 N 1.92 3.47 -0.28 1.79 1.43 -0.03 -2.20 118.68 124.77 2nx5 s LEU 40 Ca 0.13 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 2nx5 s LEU 40 Cb -0.16 -3.19 0.16 0.00 0.03 0.00 0.00 46.19 43.03 2nx5 s LEU 40 CO 0.10 -0.89 0.42 -0.75 0.23 0.00 0.00 176.35 175.47 2nx5 s LYS 41 N -4.71 0.41 -1.66 1.70 2.20 -0.19 -3.35 119.74 114.15 2nx5 s LYS 41 Ca 0.51 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 2nx5 s LYS 41 Cb -0.10 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.95 2nx5 s LYS 41 CO 0.40 -0.91 0.00 0.09 -0.36 0.00 0.00 175.35 174.57 2nx5 n ASN 42 N 5.36 -5.06 0.00 1.43 3.02 0.30 -1.96 115.26 118.35 2nx5 n ASN 42 Ca -0.00 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 2nx5 n ASN 42 Cb 0.50 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 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 -0.82 0.43 3.76 7.41 0.00 -1.26 -5.03 105.19 109.67 2nx5 n GLY 43 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.93 3.79 0.30 1.61 2.02 -0.83 -5.03 118.70 119.63 2nx5 s GLU 44 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 2nx5 s GLU 44 Cb 0.00 -3.25 -0.12 0.00 0.10 0.00 0.00 34.13 30.87 2nx5 s GLU 44 CO 0.00 0.50 1.61 -2.13 0.02 0.00 0.00 175.26 175.26 2nx5 n ARG 45 N 2.86 2.75 -3.86 1.61 0.63 -1.26 -1.02 116.66 118.36 2nx5 n ARG 45 Ca -0.18 0.98 -0.35 0.00 -0.92 0.00 0.00 57.85 57.38 2nx5 n ARG 45 Cb 0.53 -2.77 -0.10 0.00 0.45 0.00 0.00 32.46 30.57 2nx5 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2nx5 s ILE 46 N 0.02 4.92 0.48 5.15 -1.09 -0.94 -4.91 121.20 124.84 2nx5 s ILE 46 Ca 0.64 0.02 -0.20 0.00 -2.23 0.00 0.00 60.65 58.88 2nx5 s ILE 46 Cb -0.49 -3.25 -0.09 0.00 -1.58 0.00 0.00 42.46 37.05 2nx5 s ILE 46 CO 0.48 0.41 1.02 -0.70 -1.23 0.00 0.00 174.94 174.92 2nx5 s GLU 47 N 0.71 3.87 -0.80 2.79 2.56 -1.26 -4.32 118.70 122.25 2nx5 s GLU 47 Ca 0.05 1.29 -0.02 0.00 0.00 0.00 0.00 54.97 56.29 2nx5 s GLU 47 Cb -0.13 -2.11 -0.03 0.00 2.00 0.00 0.00 34.13 33.87 2nx5 s GLU 47 CO 0.02 -0.36 0.73 1.63 -0.56 0.00 0.00 175.26 176.71 2nx5 n LYS 48 N -0.97 -1.56 -3.68 4.30 5.02 -1.26 -5.02 118.16 114.99 2nx5 n LYS 48 Ca 0.09 1.19 -0.39 0.00 -2.02 0.00 0.00 58.31 57.18 2nx5 n LYS 48 Cb 0.53 -5.48 -0.11 0.00 -0.02 0.00 0.00 35.03 29.95 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 -3.14 3.83 0.60 -0.18 1.01 -1.26 -4.79 120.40 116.47 2nx5 s VAL 49 Ca 0.17 -1.62 -0.11 0.00 0.00 0.00 0.00 61.98 60.42 2nx5 s VAL 49 Cb -0.02 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2nx5 s VAL 49 CO 0.69 -0.54 1.01 -0.70 0.00 0.00 0.00 175.10 175.56 2nx5 s GLU 50 N 1.32 3.62 0.03 2.72 2.12 -1.06 -4.84 118.70 122.61 2nx5 s GLU 50 Ca 0.04 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.09 2nx5 s GLU 50 Cb -0.23 -2.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.03 2nx5 s GLU 50 CO -0.00 -0.52 -0.04 -3.38 -0.54 0.00 0.00 175.26 170.78 2nx5 s HIS 51 N -3.11 0.37 1.01 5.30 -3.43 -1.26 -1.16 115.29 113.01 2nx5 s HIS 51 Ca 0.55 -0.58 -0.13 0.00 -0.80 0.00 0.00 55.06 54.09 2nx5 s HIS 51 Cb -0.11 -0.25 0.19 0.00 -1.43 0.00 0.00 32.58 30.98 2nx5 s HIS 51 CO 0.52 -0.19 1.12 -1.54 -2.00 0.00 0.00 174.74 172.65 2nx5 s SER 52 N -1.65 2.61 0.68 7.38 1.04 0.15 -4.97 113.70 118.93 2nx5 s SER 52 Ca -0.12 0.99 -0.17 0.00 0.48 0.00 0.00 55.95 57.13 2nx5 s SER 52 Cb -0.08 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2nx5 s SER 52 CO -0.02 -3.11 1.22 0.47 0.98 0.00 0.00 173.24 172.78 2nx5 n ASP 53 N -4.14 1.66 -4.56 7.02 9.92 -1.26 -4.68 116.55 120.51 2nx5 n ASP 53 Ca 0.07 0.78 -0.40 0.00 -0.53 0.00 0.00 54.79 54.71 2nx5 n ASP 53 Cb 0.58 -1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 39.51 2nx5 n ASP 53 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2nx5 s LEU 54 N -4.23 3.52 0.48 0.64 2.96 -1.26 -4.78 118.68 116.00 2nx5 s LEU 54 Ca 0.80 -1.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.20 2nx5 s LEU 54 Cb -0.37 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 2nx5 s LEU 54 CO 0.43 -1.58 0.01 -0.55 -1.32 0.00 0.00 176.35 173.34 2nx5 s SER 55 N 5.14 4.06 0.08 3.68 0.15 -1.25 -5.02 113.70 120.54 2nx5 s SER 55 Ca 0.50 -1.55 -0.08 0.00 0.70 0.00 0.00 55.95 55.52 2nx5 s SER 55 Cb 0.00 0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 2nx5 s SER 55 CO -0.06 -0.73 0.16 0.72 1.20 0.00 0.00 173.24 174.54 2nx5 s PHE 56 N -2.82 0.18 0.83 3.44 -0.71 -1.26 -0.83 117.98 116.81 2nx5 s PHE 56 Ca 0.16 -0.60 -0.08 0.00 -1.04 0.00 0.00 56.93 55.37 2nx5 s PHE 56 Cb 0.04 -0.09 0.16 0.00 -1.21 0.00 0.00 43.02 41.92 2nx5 s PHE 56 CO 0.08 -0.51 1.15 -1.12 -1.34 0.00 0.00 175.22 173.48 2nx5 s SER 57 N -2.76 3.78 0.21 1.98 0.01 0.60 -4.90 113.70 112.61 2nx5 s SER 57 Ca 0.04 -0.08 0.21 0.00 1.31 0.00 0.00 55.95 57.43 2nx5 s SER 57 Cb 0.04 -0.14 0.90 0.00 0.21 0.00 0.00 66.02 67.03 2nx5 s SER 57 CO -0.10 -2.27 1.64 1.17 0.41 0.00 0.00 173.24 174.10 2nx5 n LYS 58 N -3.26 0.15 -0.65 12.44 4.81 -1.26 -0.75 118.16 129.63 2nx5 n LYS 58 Ca 0.15 0.41 0.07 0.00 -0.87 0.00 0.00 58.31 58.07 2nx5 n LYS 58 Cb 0.60 -1.80 0.33 0.00 0.02 0.00 0.00 35.03 34.18 2nx5 n LYS 58 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2nx5 n ASP 59 N -2.08 4.62 0.00 3.14 5.68 -1.26 -4.93 116.55 121.72 2nx5 n ASP 59 Ca 0.02 -2.57 0.00 0.00 -0.50 0.00 0.00 54.79 51.74 2nx5 n ASP 59 Cb 0.20 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 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 0.78 0.00 -3.07 2.11 7.02 0.07 -5.00 117.44 119.35 2nx5 n TRP 60 Ca 0.23 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.32 2nx5 n TRP 60 Cb 0.92 -0.17 -0.05 0.00 -2.42 0.00 0.00 31.31 29.58 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 -2.93 7.10 0.52 -0.99 1.04 -1.25 -4.73 113.70 112.47 2nx5 s SER 61 Ca 0.00 1.32 -0.18 0.00 0.48 0.00 0.00 55.95 57.57 2nx5 s SER 61 Cb 0.00 -2.43 -0.07 0.00 0.10 0.00 0.00 66.02 63.62 2nx5 s SER 61 CO 0.00 0.03 1.01 -0.36 0.98 0.00 0.00 173.24 174.90 2nx5 s PHE 62 N -0.01 3.22 -0.03 5.02 0.08 -0.64 -0.29 117.98 125.32 2nx5 s PHE 62 Ca 0.36 1.52 -0.02 0.00 0.12 0.00 0.00 56.93 58.90 2nx5 s PHE 62 Cb -0.19 -2.91 0.02 0.00 -0.57 0.00 0.00 43.02 39.36 2nx5 s PHE 62 CO 0.20 -0.62 0.08 1.52 -0.10 0.00 0.00 175.22 176.30 2nx5 s TYR 63 N -2.40 -0.08 0.05 0.36 -0.85 -0.01 -2.02 117.35 112.40 2nx5 s TYR 63 Ca 0.62 0.24 0.06 0.00 -0.52 0.00 0.00 57.07 57.47 2nx5 s TYR 63 Cb -0.13 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.16 2nx5 s TYR 63 CO 0.28 -0.07 -0.17 -0.51 -1.52 0.00 0.00 175.55 173.56 2nx5 s LEU 64 N 0.37 2.19 -0.22 -3.49 1.43 -0.15 -3.86 118.68 114.95 2nx5 s LEU 64 Ca -0.03 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 2nx5 s LEU 64 Cb -0.04 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.44 2nx5 s LEU 64 CO -0.01 0.07 -0.09 -0.22 0.23 0.00 0.00 176.35 176.33 2nx5 s LEU 65 N -1.26 2.75 -0.14 1.79 2.96 -1.26 -2.03 118.68 121.49 2nx5 s LEU 65 Ca 0.04 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 2nx5 s LEU 65 Cb -0.08 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2nx5 s LEU 65 CO 0.02 -0.04 0.04 -0.31 -1.32 0.00 0.00 176.35 174.73 2nx5 s TYR 66 N 1.39 3.23 0.01 5.38 1.51 -1.12 -0.67 117.35 127.07 2nx5 s TYR 66 Ca 0.04 0.12 -0.08 0.00 -1.01 0.00 0.00 57.07 56.15 2nx5 s TYR 66 Cb -0.14 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2nx5 s TYR 66 CO -0.06 0.32 0.15 1.52 -1.11 0.00 0.00 175.55 176.36 2nx5 s TYR 67 N -0.27 0.04 -0.01 2.71 1.13 -0.31 -1.53 117.35 119.11 2nx5 s TYR 67 Ca 0.07 -0.14 -0.07 0.00 -1.41 0.00 0.00 57.07 55.52 2nx5 s TYR 67 Cb -0.12 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.70 2nx5 s TYR 67 CO 0.02 -0.31 0.16 -0.08 -2.51 0.00 0.00 175.55 172.83 2nx5 s THR 68 N -1.50 0.06 -0.13 -3.49 -1.32 -0.99 -2.56 115.64 105.72 2nx5 s THR 68 Ca -0.14 -0.52 -0.25 0.00 -1.21 0.00 0.00 61.69 59.57 2nx5 s THR 68 Cb -0.07 -0.40 -0.02 0.00 -1.51 0.00 0.00 72.50 70.50 2nx5 s THR 68 CO 0.01 -0.29 0.80 -0.70 -2.21 0.00 0.00 174.62 172.23 2nx5 s GLU 69 N -1.04 4.35 0.21 7.08 2.12 -1.26 -0.35 118.70 129.81 2nx5 s GLU 69 Ca -0.11 0.99 -0.01 0.00 0.36 0.00 0.00 54.97 56.19 2nx5 s GLU 69 Cb -0.06 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 2nx5 s GLU 69 CO 0.01 -0.19 0.16 -0.59 -0.54 0.00 0.00 175.26 174.11 2nx5 s PHE 70 N 1.67 1.15 -0.24 5.30 -0.71 -0.30 -4.96 117.98 119.89 2nx5 s PHE 70 Ca 0.39 -1.36 -0.04 0.00 -1.04 0.00 0.00 56.93 54.88 2nx5 s PHE 70 Cb -0.17 -0.52 0.09 0.00 -1.21 0.00 0.00 43.02 41.20 2nx5 s PHE 70 CO 0.15 -0.68 0.13 0.99 -1.34 0.00 0.00 175.22 174.47 2nx5 s THR 71 N -4.10 -0.10 0.43 -4.49 2.01 -1.26 -1.92 115.64 106.21 2nx5 s THR 71 Ca 0.38 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.65 2nx5 s THR 71 Cb 0.06 -0.82 -0.08 0.00 0.01 0.00 0.00 72.50 71.67 2nx5 s THR 71 CO 0.13 -0.53 1.07 -2.84 -0.69 0.00 0.00 174.62 171.75 2nx5 s PRO 72 N 2.14 3.99 0.12 4.92 0.02 -1.26 -4.87 135.00 140.05 2nx5 s PRO 72 Ca 0.06 1.52 0.03 0.00 0.02 0.00 0.00 61.00 62.63 2nx5 s PRO 72 Cb -0.16 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 2nx5 s PRO 72 CO -0.26 -0.30 -0.08 0.95 -0.33 0.00 0.00 177.00 176.99 2nx5 s THR 73 N -1.72 0.88 0.63 0.99 -4.23 -1.26 -3.42 115.64 107.50 2nx5 s THR 73 Ca 0.61 -1.99 0.30 0.00 -1.18 0.00 0.00 61.69 59.43 2nx5 s THR 73 Cb -0.22 -1.75 0.34 0.00 1.34 0.00 0.00 72.50 72.21 2nx5 s THR 73 CO 0.27 -0.82 1.95 -0.33 -0.54 0.00 0.00 174.62 175.14 2nx5 h GLU 74 N 2.89 0.00 0.00 3.99 5.08 -2.01 -2.52 114.58 122.01 2nx5 h GLU 74 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2nx5 h GLU 74 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2nx5 h GLU 74 CO 0.64 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 179.51 2nx5 h LYS 75 N 0.00 0.00 -6.38 2.33 1.57 -2.02 -3.47 116.57 108.61 2nx5 h LYS 75 Ca 0.09 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.33 2nx5 h LYS 75 Cb 0.81 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.12 2nx5 h LYS 75 CO -0.00 0.00 0.94 -0.51 -0.57 0.00 0.00 179.45 179.31 2nx5 s ASP 76 N -5.47 6.72 0.03 0.86 1.01 -0.95 -5.01 116.67 113.86 2nx5 s ASP 76 Ca -0.00 2.28 -0.00 0.00 0.71 0.00 0.00 52.55 55.53 2nx5 s ASP 76 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2nx5 s ASP 76 CO 0.01 -0.82 0.15 -0.70 0.21 0.00 0.00 175.17 174.02 2nx5 s GLU 77 N 2.77 3.26 0.08 8.23 2.12 -1.26 -4.33 118.70 129.57 2nx5 s GLU 77 Ca 0.69 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 55.64 2nx5 s GLU 77 Cb -0.35 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 2nx5 s GLU 77 CO 0.29 0.63 -0.20 0.71 -0.54 0.00 0.00 175.26 176.15 2nx5 s TYR 78 N -1.37 1.69 0.33 5.30 2.02 -1.26 -0.54 117.35 123.52 2nx5 s TYR 78 Ca 0.29 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.47 2nx5 s TYR 78 Cb -0.13 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 2nx5 s TYR 78 CO 0.21 0.15 0.63 0.00 -1.57 0.00 0.00 175.55 174.97 2nx5 s ALA 79 N -1.07 -0.23 -0.03 3.71 0.00 -1.21 -1.19 121.76 121.73 2nx5 s ALA 79 Ca 0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 2nx5 s ALA 79 Cb -0.10 0.92 0.03 0.00 0.00 0.00 0.00 23.12 23.97 2nx5 s ALA 79 CO 0.03 -0.91 0.04 0.00 0.00 0.00 0.00 175.76 174.93 2nx5 s ARG 81 N 1.54 3.73 -0.07 0.00 3.52 0.29 -0.79 118.95 127.16 2nx5 s ARG 81 Ca -0.03 -0.45 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 2nx5 s ARG 81 Cb -0.13 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 2nx5 s ARG 81 CO -0.03 -0.08 -0.17 0.08 -0.81 0.00 0.00 175.30 174.29 2nx5 s VAL 82 N 1.31 1.50 -0.05 7.11 1.01 0.69 0.47 120.40 132.44 2nx5 s VAL 82 Ca 0.05 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2nx5 s VAL 82 Cb -0.15 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2nx5 s VAL 82 CO 0.03 0.43 -0.14 0.21 0.00 0.00 0.00 175.10 175.63 2nx5 s ASN 83 N 0.34 1.90 0.06 3.32 3.04 -0.74 0.14 114.94 123.00 2nx5 s ASN 83 Ca -0.12 -0.31 0.00 0.00 0.04 0.00 0.00 52.86 52.47 2nx5 s ASN 83 Cb -0.15 -0.63 -0.04 0.00 -1.54 0.00 0.00 41.25 38.90 2nx5 s ASN 83 CO 0.05 0.10 -0.04 -2.28 -3.04 0.00 0.00 177.10 171.89 2nx5 s HIS 84 N 0.24 0.58 -0.31 0.43 2.46 -1.26 -1.81 115.29 115.62 2nx5 s HIS 84 Ca -0.07 -0.90 0.16 0.00 0.47 0.00 0.00 55.06 54.72 2nx5 s HIS 84 Cb -0.12 -0.39 0.86 0.00 -0.13 0.00 0.00 32.58 32.80 2nx5 s HIS 84 CO 0.02 -0.27 1.46 1.55 -2.47 0.00 0.00 174.74 175.03 2nx5 n VAL 85 N 0.41 1.13 1.08 0.89 3.14 -1.26 -0.01 118.33 123.71 2nx5 n VAL 85 Ca -0.16 0.69 0.12 0.00 -2.96 0.00 0.00 64.34 62.03 2nx5 n VAL 85 Cb 0.60 -1.69 0.18 0.00 -1.06 0.00 0.00 33.84 31.86 2nx5 n VAL 85 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2nx5 n THR 86 N -2.06 0.00 -4.10 1.55 -2.24 -1.26 -4.92 114.28 101.25 2nx5 n THR 86 Ca -0.01 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 2nx5 n THR 86 Cb 0.08 0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.75 3.77 -0.01 3.22 1.43 0.98 -4.99 118.68 120.33 2nx5 s LEU 87 Ca 0.16 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 2nx5 s LEU 87 Cb 0.18 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 2nx5 s LEU 87 CO 0.65 0.23 0.71 0.28 0.23 0.00 0.00 176.35 178.45 2nx5 h SER 88 N 6.28 -0.39 -3.04 2.29 0.02 -1.91 -3.44 113.55 113.36 2nx5 h SER 88 Ca -0.40 0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 59.91 2nx5 h SER 88 Cb 1.18 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.73 2nx5 h SER 88 CO 0.66 -0.12 -0.56 -1.10 -1.14 0.00 0.00 176.83 174.57 2nx5 s GLN 89 N -3.22 3.14 0.34 3.45 -0.21 -1.26 -5.08 119.66 116.82 2nx5 s GLN 89 Ca -0.07 -0.47 -0.29 0.00 0.02 0.00 0.00 55.36 54.56 2nx5 s GLN 89 Cb 0.01 -2.90 -0.12 0.00 1.00 0.00 0.00 33.01 30.99 2nx5 s GLN 89 CO 0.20 0.64 1.43 -0.35 -2.12 0.00 0.00 175.29 175.10 2nx5 n PRO 90 N 1.04 2.42 -3.41 2.91 -0.04 -1.26 -4.95 135.00 131.71 2nx5 n PRO 90 Ca -0.12 0.85 -0.38 0.00 -0.04 0.00 0.00 63.50 63.82 2nx5 n PRO 90 Cb 0.52 -2.53 -0.07 0.00 -0.04 0.00 0.00 33.50 31.38 2nx5 n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2nx5 s LYS 91 N -1.57 4.21 -0.15 0.54 2.20 0.12 -4.87 119.74 120.22 2nx5 s LYS 91 Ca 0.57 0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 56.37 2nx5 s LYS 91 Cb -0.53 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 2nx5 s LYS 91 CO 0.59 0.04 -0.08 0.42 -0.36 0.00 0.00 175.35 175.96 2nx5 s ILE 92 N 1.07 3.46 -0.06 5.43 1.01 -1.26 -0.22 121.20 130.63 2nx5 s ILE 92 Ca 0.19 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2nx5 s ILE 92 Cb -0.14 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.84 2nx5 s ILE 92 CO 0.07 0.50 -0.09 -0.69 0.00 0.00 0.00 174.94 174.73 2nx5 s VAL 93 N 0.52 0.92 0.90 2.92 1.01 0.03 -4.97 120.40 121.73 2nx5 s VAL 93 Ca -0.06 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 2nx5 s VAL 93 Cb -0.15 -0.88 0.14 0.00 0.00 0.00 0.00 36.38 35.49 2nx5 s VAL 93 CO 0.03 0.31 1.17 -0.54 0.00 0.00 0.00 175.10 176.08 2nx5 s LYS 94 N 0.90 1.20 -0.33 2.72 1.02 -1.26 -0.11 119.74 123.88 2nx5 s LYS 94 Ca -0.11 0.13 -0.06 0.00 0.02 0.00 0.00 55.97 55.96 2nx5 s LYS 94 Cb -0.15 -1.86 0.04 0.00 -0.52 0.00 0.00 37.83 35.34 2nx5 s LYS 94 CO 0.01 -2.13 0.09 -0.46 -0.92 0.00 0.00 175.35 171.94 2nx5 s TRP 95 N -3.43 3.26 -0.23 3.18 -0.00 -0.34 -4.76 118.94 116.62 2nx5 s TRP 95 Ca 0.65 -1.50 -0.13 0.00 -0.00 0.00 0.00 56.10 55.12 2nx5 s TRP 95 Cb -0.12 -2.25 -0.05 0.00 -0.00 0.00 0.00 33.47 31.06 2nx5 s TRP 95 CO 0.52 -0.74 0.26 0.34 -0.00 0.00 0.00 176.95 177.33 2nx5 s ASP 96 N 1.38 6.23 0.51 5.86 2.15 -1.26 -4.77 116.67 126.78 2nx5 s ASP 96 Ca -0.02 0.26 0.32 0.00 0.43 0.00 0.00 52.55 53.54 2nx5 s ASP 96 Cb -0.20 -2.16 1.75 0.00 -0.30 0.00 0.00 42.92 42.02 2nx5 s ASP 96 CO 0.02 -0.01 1.98 0.08 -0.17 0.00 0.00 175.17 177.07 2nx5 h ARG 97 N 7.55 0.00 -0.01 4.34 -0.00 -1.98 -1.33 114.38 122.96 2nx5 h ARG 97 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.61 2nx5 h ARG 97 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2nx5 h ARG 97 CO 0.67 0.00 -0.26 -0.25 -0.00 0.00 0.00 179.97 180.13 2nx5 n ASP 98 N -2.67 1.06 -0.21 0.08 8.00 -1.26 -4.81 116.55 116.74 2nx5 n ASP 98 Ca -0.02 -1.03 0.15 0.00 0.71 0.00 0.00 54.79 54.60 2nx5 n ASP 98 Cb 0.11 0.58 0.76 0.00 -0.02 0.00 0.00 41.12 42.55 2nx5 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04