#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5w s ILE 1 N 0.00 3.40 0.16 3.17 -1.09 -1.26 -4.97 121.20 120.61 2p5w s ILE 1 Ca 0.00 0.28 0.08 0.00 -2.23 0.00 0.00 60.65 58.78 2p5w s ILE 1 Cb 0.00 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 2p5w s ILE 1 CO 0.00 -0.84 -0.09 -1.10 -1.23 0.00 0.00 174.94 171.68 2p5w s GLN 2 N 6.73 2.09 -0.02 2.79 -0.21 -1.26 -4.79 119.66 124.99 2p5w s GLN 2 Ca 0.68 -1.20 0.01 0.00 0.02 0.00 0.00 55.36 54.87 2p5w s GLN 2 Cb -0.14 -2.20 0.01 0.00 1.00 0.00 0.00 33.01 31.68 2p5w s GLN 2 CO 0.23 0.45 -0.03 1.03 -2.12 0.00 0.00 175.29 174.86 2p5w s ARG 3 N -2.68 0.37 0.33 2.91 0.52 -0.67 -4.92 118.95 114.81 2p5w s ARG 3 Ca 0.24 -0.06 -0.28 0.00 -0.52 0.00 0.00 55.73 55.11 2p5w s ARG 3 Cb -0.09 -0.43 -0.09 0.00 0.52 0.00 0.00 34.95 34.86 2p5w s ARG 3 CO 0.15 -0.01 1.10 -0.08 0.02 0.00 0.00 175.30 176.48 2p5w s THR 4 N 0.41 3.48 0.32 0.02 -1.32 -1.26 -2.10 115.64 115.18 2p5w s THR 4 Ca -0.04 1.36 -0.28 0.00 -1.21 0.00 0.00 61.69 61.52 2p5w s THR 4 Cb -0.07 -3.82 -0.09 0.00 -1.51 0.00 0.00 72.50 67.00 2p5w s THR 4 CO -0.01 0.23 1.11 -2.16 -2.21 0.00 0.00 174.62 171.59 2p5w s PRO 5 N -1.82 4.46 0.26 7.08 0.04 -1.26 -4.24 135.00 139.52 2p5w s PRO 5 Ca 0.49 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 2p5w s PRO 5 Cb -0.30 -3.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2p5w s PRO 5 CO 0.38 0.06 0.58 0.15 0.04 0.00 0.00 177.00 178.21 2p5w s LYS 6 N -1.76 3.79 -0.02 4.56 1.02 0.23 -4.89 119.74 122.68 2p5w s LYS 6 Ca 0.49 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.77 2p5w s LYS 6 Cb -0.31 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2p5w s LYS 6 CO 0.39 0.26 0.01 0.42 -0.92 0.00 0.00 175.35 175.51 2p5w s ILE 7 N -1.91 0.06 -0.04 2.17 1.01 -1.26 -1.58 121.20 119.64 2p5w s ILE 7 Ca 0.48 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.22 2p5w s ILE 7 Cb -0.11 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.24 2p5w s ILE 7 CO 0.23 0.08 -0.06 -1.10 0.00 0.00 0.00 174.94 174.09 2p5w s GLN 8 N 0.64 0.96 -0.13 2.79 -0.21 -0.67 -5.00 119.66 118.04 2p5w s GLN 8 Ca -0.06 -0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.16 2p5w s GLN 8 Cb -0.08 -0.91 -0.01 0.00 1.00 0.00 0.00 33.01 33.01 2p5w s GLN 8 CO -0.02 -0.03 -0.16 0.08 -2.12 0.00 0.00 175.29 173.04 2p5w s VAL 9 N 0.75 2.73 0.19 1.09 1.01 -1.26 -0.88 120.40 124.03 2p5w s VAL 9 Ca -0.11 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 2p5w s VAL 9 Cb -0.14 -2.13 0.06 0.00 0.00 0.00 0.00 36.38 34.18 2p5w s VAL 9 CO 0.01 0.53 0.95 -0.72 0.00 0.00 0.00 175.10 175.87 2p5w s TYR 10 N 0.44 -0.06 0.17 5.22 1.13 -0.40 -4.60 117.35 119.24 2p5w s TYR 10 Ca -0.12 -0.30 0.04 0.00 -1.41 0.00 0.00 57.07 55.28 2p5w s TYR 10 Cb -0.16 0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 2p5w s TYR 10 CO 0.05 -0.93 0.21 -1.54 -2.51 0.00 0.00 175.55 170.83 2p5w s SER 11 N -3.07 5.87 0.06 -0.18 1.04 -1.26 -0.01 113.70 116.15 2p5w s SER 11 Ca 0.15 -0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.38 2p5w s SER 11 Cb -0.02 -1.64 -0.12 0.00 0.10 0.00 0.00 66.02 64.34 2p5w s SER 11 CO 0.04 0.05 1.39 -0.09 0.98 0.00 0.00 173.24 175.62 2p5w h ARG 12 N 2.21 0.43 -6.18 4.02 2.43 -1.53 -3.45 114.38 112.30 2p5w h ARG 12 Ca -0.48 -0.20 -0.56 0.00 -0.81 0.00 0.00 59.98 57.92 2p5w h ARG 12 Cb 1.20 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.65 2p5w h ARG 12 CO 0.65 0.75 -0.64 -1.01 -1.51 0.00 0.00 179.97 178.22 2p5w s HIS 13 N -4.46 2.67 0.18 2.20 3.76 -1.26 -5.03 115.29 113.35 2p5w s HIS 13 Ca -0.14 -0.26 -0.33 0.00 -0.15 0.00 0.00 55.06 54.18 2p5w s HIS 13 Cb 0.06 -1.25 -0.14 0.00 1.11 0.00 0.00 32.58 32.36 2p5w s HIS 13 CO 0.76 0.59 1.51 -2.30 -0.85 0.00 0.00 174.74 174.45 2p5w n PRO 14 N -0.92 2.08 -2.00 8.40 -0.02 -1.26 -4.88 135.00 136.39 2p5w n PRO 14 Ca -0.06 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 2p5w n PRO 14 Cb 0.59 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2p5w n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p5w s ALA 15 N 0.57 3.72 -0.11 3.55 0.00 -1.26 -5.00 121.76 123.23 2p5w s ALA 15 Ca 0.75 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.99 2p5w s ALA 15 Cb -0.68 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 18.88 2p5w s ALA 15 CO 0.42 -0.74 -0.02 -1.21 0.00 0.00 0.00 175.76 174.22 2p5w s GLU 16 N 1.16 0.89 0.19 0.00 2.02 -1.26 -5.12 118.70 116.59 2p5w s GLU 16 Ca 0.68 -0.11 -0.33 0.00 0.02 0.00 0.00 54.97 55.24 2p5w s GLU 16 Cb -0.42 -1.38 -0.14 0.00 0.10 0.00 0.00 34.13 32.30 2p5w s GLU 16 CO 0.31 -0.36 1.51 0.09 0.02 0.00 0.00 175.26 176.83 2p5w n ASN 17 N 5.06 2.95 0.00 -0.19 3.02 -1.26 -1.44 115.26 123.40 2p5w n ASN 17 Ca -0.09 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 2p5w n ASN 17 Cb 0.49 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 2p5w n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p5w n GLY 18 N 2.89 2.46 3.76 7.41 0.00 0.00 -5.00 105.19 116.71 2p5w n GLY 18 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2p5w n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p5w s LYS 19 N -0.23 3.86 0.58 1.61 1.02 -0.52 -4.96 119.74 121.09 2p5w s LYS 19 Ca 0.00 -0.22 -0.21 0.00 0.02 0.00 0.00 55.97 55.56 2p5w s LYS 19 Cb 0.00 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2p5w s LYS 19 CO 0.00 0.46 1.34 0.45 -0.92 0.00 0.00 175.35 176.69 2p5w s SER 20 N -0.13 5.07 0.04 2.83 0.15 -1.26 -4.12 113.70 116.27 2p5w s SER 20 Ca 0.10 2.73 -0.01 0.00 0.70 0.00 0.00 55.95 59.46 2p5w s SER 20 Cb -0.12 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2p5w s SER 20 CO 0.00 -1.71 0.07 -3.20 1.20 0.00 0.00 173.24 169.61 2p5w n ASN 21 N -1.29 -0.21 -4.09 5.45 4.05 0.76 -4.96 115.26 114.97 2p5w n ASN 21 Ca 0.12 -1.15 -0.26 0.00 0.45 0.00 0.00 54.58 53.74 2p5w n ASN 21 Cb 0.46 0.36 -0.16 0.00 1.23 0.00 0.00 39.78 41.66 2p5w n ASN 21 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2p5w s PHE 22 N -8.31 1.71 -0.20 1.20 0.40 -1.26 -1.24 117.98 110.27 2p5w s PHE 22 Ca 0.01 -0.60 -0.13 0.00 -0.60 0.00 0.00 56.93 55.61 2p5w s PHE 22 Cb -0.00 -1.19 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 2p5w s PHE 22 CO 0.01 -0.26 0.28 -1.17 0.70 0.00 0.00 175.22 174.78 2p5w s LEU 23 N 0.40 4.17 0.07 -0.37 2.96 0.17 -1.19 118.68 124.90 2p5w s LEU 23 Ca -0.12 0.37 0.08 0.00 -0.22 0.00 0.00 54.13 54.24 2p5w s LEU 23 Cb -0.15 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2p5w s LEU 23 CO 0.04 0.03 -0.17 0.20 -1.32 0.00 0.00 176.35 175.13 2p5w s ASN 24 N 0.85 3.92 -0.20 3.68 0.02 0.99 -1.25 114.94 122.94 2p5w s ASN 24 Ca 0.14 -0.46 -0.03 0.00 -1.02 0.00 0.00 52.86 51.49 2p5w s ASN 24 Cb -0.14 -0.62 0.06 0.00 0.02 0.00 0.00 41.25 40.57 2p5w s ASN 24 CO 0.05 0.22 0.04 0.00 0.02 0.00 0.00 177.10 177.43 2p5w s TYR 26 N 1.85 3.30 -0.08 0.00 5.04 -0.05 -1.07 117.35 126.33 2p5w s TYR 26 Ca 0.00 0.19 0.04 0.00 -2.44 0.00 0.00 57.07 54.86 2p5w s TYR 26 Cb -0.17 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.86 2p5w s TYR 26 CO -0.10 0.05 -0.20 0.14 -1.34 0.00 0.00 175.55 174.10 2p5w s VAL 27 N 1.07 2.48 0.25 3.14 -7.23 -0.18 -1.66 120.40 118.28 2p5w s VAL 27 Ca 0.07 -0.90 -0.16 0.00 -1.81 0.00 0.00 61.98 59.19 2p5w s VAL 27 Cb -0.14 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.85 2p5w s VAL 27 CO 0.05 0.56 0.56 -0.94 -0.31 0.00 0.00 175.10 175.01 2p5w s SER 28 N -0.09 -0.16 -1.12 4.85 1.04 -0.61 -0.80 113.70 116.80 2p5w s SER 28 Ca -0.04 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2p5w s SER 28 Cb -0.14 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2p5w s SER 28 CO 0.04 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2p5w n GLY 29 N -0.40 1.03 3.80 7.32 0.00 0.03 0.78 105.19 117.75 2p5w n GLY 29 Ca -0.03 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 2p5w n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2p5w s PHE 30 N -2.43 3.07 -0.28 1.61 -0.71 -1.20 -4.33 117.98 113.72 2p5w s PHE 30 Ca 0.00 -0.11 -0.19 0.00 -1.04 0.00 0.00 56.93 55.59 2p5w s PHE 30 Cb 0.00 -1.39 0.08 0.00 -1.21 0.00 0.00 43.02 40.50 2p5w s PHE 30 CO 0.00 0.53 0.73 -1.58 -1.34 0.00 0.00 175.22 173.56 2p5w s HIS 31 N -2.09 -0.93 1.04 3.49 2.46 -0.89 -0.86 115.29 117.51 2p5w s HIS 31 Ca 0.32 1.96 -0.18 0.00 0.47 0.00 0.00 55.06 57.64 2p5w s HIS 31 Cb -0.08 0.50 0.25 0.00 -0.13 0.00 0.00 32.58 33.12 2p5w s HIS 31 CO 0.24 -0.46 1.10 -0.35 -2.47 0.00 0.00 174.74 172.80 2p5w n PRO 32 N 3.71 -2.28 0.19 2.88 -0.04 -1.26 -1.67 135.00 136.54 2p5w n PRO 32 Ca -0.18 -1.73 0.07 0.00 -0.04 0.00 0.00 63.50 61.63 2p5w n PRO 32 Cb 0.58 -1.41 0.27 0.00 -0.04 0.00 0.00 33.50 32.89 2p5w n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2p5w h SER 33 N -2.21 0.00 -2.69 3.54 4.64 -1.99 -3.45 113.55 111.39 2p5w h SER 33 Ca -0.39 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.41 2p5w h SER 33 Cb 1.13 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.26 2p5w h SER 33 CO 0.26 0.30 0.99 -0.62 -0.87 0.00 0.00 176.83 176.89 2p5w s ASP 34 N -6.29 6.52 0.01 4.97 3.68 -1.26 -4.96 116.67 119.34 2p5w s ASP 34 Ca 0.02 2.66 -0.25 0.00 2.13 0.00 0.00 52.55 57.11 2p5w s ASP 34 Cb 0.09 -2.58 0.06 0.00 -1.45 0.00 0.00 42.92 39.03 2p5w s ASP 34 CO 0.68 -0.91 0.57 -0.51 0.13 0.00 0.00 175.17 175.13 2p5w s ILE 35 N 1.91 0.02 -0.20 4.11 2.07 -1.26 -4.67 121.20 123.19 2p5w s ILE 35 Ca 0.74 -0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.84 2p5w s ILE 35 Cb -0.44 -0.95 0.03 0.00 0.13 0.00 0.00 42.46 41.23 2p5w s ILE 35 CO 0.33 -0.08 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.42 2p5w s GLU 36 N -1.93 2.55 -0.07 3.50 2.12 -0.69 -5.01 118.70 119.17 2p5w s GLU 36 Ca -0.08 -0.90 0.03 0.00 0.36 0.00 0.00 54.97 54.38 2p5w s GLU 36 Cb -0.01 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.85 2p5w s GLU 36 CO 0.03 -0.33 -0.14 0.08 -0.54 0.00 0.00 175.26 174.35 2p5w s VAL 37 N 1.30 1.30 -0.00 3.70 1.01 -1.26 -1.17 120.40 125.29 2p5w s VAL 37 Ca 0.01 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2p5w s VAL 37 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2p5w s VAL 37 CO -0.10 0.39 -0.12 -1.81 0.00 0.00 0.00 175.10 173.46 2p5w s ASP 38 N 0.55 1.40 -0.18 3.32 1.01 -0.61 -4.99 116.67 117.17 2p5w s ASP 38 Ca -0.14 -0.24 -0.09 0.00 0.71 0.00 0.00 52.55 52.78 2p5w s ASP 38 Cb -0.16 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.58 2p5w s ASP 38 CO 0.04 0.13 0.12 -0.76 0.21 0.00 0.00 175.17 174.91 2p5w s LEU 39 N -0.38 4.16 0.06 1.23 1.43 -1.26 -0.74 118.68 123.18 2p5w s LEU 39 Ca 0.04 0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 2p5w s LEU 39 Cb -0.05 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2p5w s LEU 39 CO -0.00 0.22 -0.12 -0.76 0.23 0.00 0.00 176.35 175.91 2p5w s LEU 40 N 0.14 2.92 -0.27 1.79 1.02 0.56 0.11 118.68 124.95 2p5w s LEU 40 Ca 0.08 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.87 2p5w s LEU 40 Cb -0.11 -1.71 0.08 0.00 0.02 0.00 0.00 46.19 44.46 2p5w s LEU 40 CO -0.01 0.22 0.05 -0.75 0.02 0.00 0.00 176.35 175.89 2p5w s LYS 41 N -1.80 0.91 -1.26 1.70 2.20 0.36 -2.02 119.74 119.83 2p5w s LYS 41 Ca 0.18 -0.96 -0.07 0.00 -0.36 0.00 0.00 55.97 54.76 2p5w s LYS 41 Cb -0.11 -2.21 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 2p5w s LYS 41 CO 0.10 -0.83 1.10 0.09 -0.36 0.00 0.00 175.35 175.44 2p5w n ASN 42 N 4.82 -5.52 0.00 1.43 3.02 0.17 -2.30 115.26 116.88 2p5w n ASN 42 Ca -0.05 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 2p5w n ASN 42 Cb 0.44 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 2p5w n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p5w n GLY 43 N -1.81 0.97 3.63 7.41 0.00 -1.26 -5.03 105.19 109.09 2p5w n GLY 43 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2p5w n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p5w s GLU 44 N -0.02 2.98 0.06 1.61 2.02 -0.97 -5.04 118.70 119.33 2p5w s GLU 44 Ca 0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 54.22 2p5w s GLU 44 Cb 0.00 -2.74 -0.09 0.00 0.10 0.00 0.00 34.13 31.41 2p5w s GLU 44 CO 0.00 0.63 1.77 0.50 0.02 0.00 0.00 175.26 178.19 2p5w s ARG 45 N -0.71 4.17 -0.24 1.61 3.52 -1.26 -0.49 118.95 125.55 2p5w s ARG 45 Ca 0.11 2.45 -0.27 0.00 -0.13 0.00 0.00 55.73 57.89 2p5w s ARG 45 Cb -0.12 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 2p5w s ARG 45 CO 0.02 -0.83 0.93 0.42 -0.81 0.00 0.00 175.30 175.03 2p5w s ILE 46 N 3.32 4.76 0.06 4.11 1.01 0.12 -4.92 121.20 129.65 2p5w s ILE 46 Ca 0.79 1.78 -0.28 0.00 0.00 0.00 0.00 60.65 62.94 2p5w s ILE 46 Cb -0.41 -4.21 -0.14 0.00 0.01 0.00 0.00 42.46 37.71 2p5w s ILE 46 CO 0.35 -0.14 1.43 -0.33 0.00 0.00 0.00 174.94 176.25 2p5w h GLU 47 N 7.59 -0.81 -5.14 2.79 5.08 -1.93 -3.39 114.58 118.77 2p5w h GLU 47 Ca -0.21 0.06 -0.71 0.00 -1.00 0.00 0.00 59.36 57.49 2p5w h GLU 47 Cb 1.08 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 30.38 2p5w h GLU 47 CO 0.93 -0.54 1.82 1.63 -1.00 0.00 0.00 179.01 181.84 2p5w n LYS 48 N -4.77 3.29 -4.34 2.33 5.02 -1.26 -4.95 118.16 113.48 2p5w n LYS 48 Ca -0.10 -3.55 -0.34 0.00 -2.02 0.00 0.00 58.31 52.30 2p5w n LYS 48 Cb 0.37 -3.24 -0.13 0.00 -0.02 0.00 0.00 35.03 32.01 2p5w n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2p5w s VAL 49 N 2.70 3.68 0.43 -0.18 1.01 -1.26 -4.71 120.40 122.08 2p5w s VAL 49 Ca 0.48 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.11 2p5w s VAL 49 Cb 0.01 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2p5w s VAL 49 CO 0.03 0.48 0.38 -1.61 0.00 0.00 0.00 175.10 174.38 2p5w s GLU 50 N 0.63 2.50 0.13 2.72 2.02 -0.61 -4.92 118.70 121.17 2p5w s GLU 50 Ca -0.03 -1.58 -0.12 0.00 0.02 0.00 0.00 54.97 53.26 2p5w s GLU 50 Cb -0.15 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.74 2p5w s GLU 50 CO 0.02 -0.23 0.30 -3.38 0.02 0.00 0.00 175.26 172.00 2p5w s HIS 51 N -2.50 0.10 0.82 1.61 -3.43 -1.26 -0.80 115.29 109.83 2p5w s HIS 51 Ca 0.47 -0.48 -0.12 0.00 -0.80 0.00 0.00 55.06 54.14 2p5w s HIS 51 Cb -0.03 0.07 0.10 0.00 -1.43 0.00 0.00 32.58 31.29 2p5w s HIS 51 CO 0.27 -0.67 1.18 -1.54 -2.00 0.00 0.00 174.74 171.98 2p5w s SER 52 N -2.88 4.27 0.11 7.38 1.04 -0.34 -4.99 113.70 118.29 2p5w s SER 52 Ca 0.08 0.60 -0.30 0.00 0.48 0.00 0.00 55.95 56.81 2p5w s SER 52 Cb 0.03 -1.03 -0.06 0.00 0.10 0.00 0.00 66.02 65.06 2p5w s SER 52 CO -0.07 -2.02 1.13 -1.81 0.98 0.00 0.00 173.24 171.45 2p5w s ASP 53 N -4.63 7.19 0.20 7.02 1.01 -1.26 -4.75 116.67 121.44 2p5w s ASP 53 Ca 0.64 2.02 -0.33 0.00 0.71 0.00 0.00 52.55 55.59 2p5w s ASP 53 Cb -0.09 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.11 2p5w s ASP 53 CO 0.49 -0.34 1.57 -0.11 0.21 0.00 0.00 175.17 176.99 2p5w n LEU 54 N 3.21 3.34 -4.06 1.23 7.94 -1.26 -4.95 117.00 122.44 2p5w n LEU 54 Ca 0.06 1.10 -0.13 0.00 -1.11 0.00 0.00 56.01 55.92 2p5w n LEU 54 Cb 0.47 -1.46 -0.04 0.00 0.53 0.00 0.00 43.42 42.91 2p5w n LEU 54 CO 0.54 -0.22 0.15 -0.55 -1.11 0.00 0.00 177.39 176.20 2p5w s SER 55 N 0.78 0.63 0.18 1.96 0.15 -1.24 -5.06 113.70 111.09 2p5w s SER 55 Ca 0.75 -1.35 -0.09 0.00 0.70 0.00 0.00 55.95 55.96 2p5w s SER 55 Cb -0.63 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2p5w s SER 55 CO 0.40 -1.27 0.30 0.72 1.20 0.00 0.00 173.24 174.59 2p5w s PHE 56 N -3.26 0.47 0.63 3.44 -0.12 -1.26 -2.34 117.98 115.55 2p5w s PHE 56 Ca 0.29 -0.82 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 2p5w s PHE 56 Cb -0.00 -0.07 0.09 0.00 -0.63 0.00 0.00 43.02 42.41 2p5w s PHE 56 CO 0.17 -0.75 0.87 -1.12 -0.05 0.00 0.00 175.22 174.35 2p5w s SER 57 N -2.99 4.79 0.40 1.98 0.01 0.21 -4.95 113.70 113.15 2p5w s SER 57 Ca 0.20 -0.43 0.17 0.00 1.31 0.00 0.00 55.95 57.20 2p5w s SER 57 Cb 0.03 -0.13 1.07 0.00 0.21 0.00 0.00 66.02 67.19 2p5w s SER 57 CO 0.02 -1.53 1.81 0.50 0.41 0.00 0.00 173.24 174.46 2p5w h LYS 58 N -0.16 0.42 -0.20 12.44 3.64 -2.03 0.21 116.57 130.89 2p5w h LYS 58 Ca -0.36 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2p5w h LYS 58 Cb 1.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2p5w h LYS 58 CO 0.43 0.28 0.00 -0.40 -2.27 0.00 0.00 179.45 177.48 2p5w n ASP 59 N -4.57 1.40 0.00 4.20 5.75 -1.26 -4.91 116.55 117.16 2p5w n ASP 59 Ca 0.22 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 2p5w n ASP 59 Cb 0.77 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 2p5w n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2p5w n TRP 60 N 0.20 0.00 -2.61 2.11 7.02 0.75 -5.04 117.44 119.87 2p5w n TRP 60 Ca 0.13 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.24 2p5w n TRP 60 Cb 0.26 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.10 2p5w n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2p5w s SER 61 N -3.17 6.97 0.50 -0.99 1.04 -1.26 -4.65 113.70 112.15 2p5w s SER 61 Ca 0.00 1.99 -0.05 0.00 0.48 0.00 0.00 55.95 58.38 2p5w s SER 61 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 2p5w s SER 61 CO 0.00 -0.34 0.80 -0.36 0.98 0.00 0.00 173.24 174.32 2p5w s PHE 62 N -1.62 3.46 -0.11 5.02 0.08 -0.04 -0.62 117.98 124.16 2p5w s PHE 62 Ca 0.55 0.71 -0.10 0.00 0.12 0.00 0.00 56.93 58.21 2p5w s PHE 62 Cb -0.22 -2.40 0.03 0.00 -0.57 0.00 0.00 43.02 39.87 2p5w s PHE 62 CO 0.27 -0.41 0.29 1.52 -0.10 0.00 0.00 175.22 176.80 2p5w s TYR 63 N -2.78 -0.32 -0.02 0.36 -0.85 -0.99 -0.79 117.35 111.97 2p5w s TYR 63 Ca 0.49 0.79 -0.09 0.00 -0.52 0.00 0.00 57.07 57.74 2p5w s TYR 63 Cb -0.10 0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.36 2p5w s TYR 63 CO 0.44 -0.16 0.19 -0.51 -1.52 0.00 0.00 175.55 173.99 2p5w s LEU 64 N 0.18 1.35 -0.20 -3.49 1.43 0.02 -3.70 118.68 114.27 2p5w s LEU 64 Ca -0.00 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2p5w s LEU 64 Cb -0.02 0.80 0.00 0.00 0.03 0.00 0.00 46.19 47.00 2p5w s LEU 64 CO 0.00 -0.33 -0.11 -0.22 0.23 0.00 0.00 176.35 175.93 2p5w s LEU 65 N -1.09 2.61 -0.11 1.79 2.96 -1.26 -1.01 118.68 122.56 2p5w s LEU 65 Ca -0.12 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 2p5w s LEU 65 Cb -0.06 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2p5w s LEU 65 CO 0.02 0.00 0.04 -0.31 -1.32 0.00 0.00 176.35 174.78 2p5w s TYR 66 N 1.33 3.26 0.01 5.38 1.51 -0.24 -1.20 117.35 127.40 2p5w s TYR 66 Ca 0.04 0.22 -0.18 0.00 -1.01 0.00 0.00 57.07 56.14 2p5w s TYR 66 Cb -0.14 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2p5w s TYR 66 CO -0.06 0.45 0.41 1.52 -1.11 0.00 0.00 175.55 176.76 2p5w s TYR 67 N -0.66 -0.28 0.01 2.71 1.13 0.02 -0.94 117.35 119.34 2p5w s TYR 67 Ca 0.11 0.34 -0.23 0.00 -1.41 0.00 0.00 57.07 55.88 2p5w s TYR 67 Cb -0.12 0.20 0.05 0.00 -1.10 0.00 0.00 41.96 40.99 2p5w s TYR 67 CO 0.02 -0.52 0.52 -0.08 -2.51 0.00 0.00 175.55 172.98 2p5w s THR 68 N -1.97 0.03 0.36 -3.49 -1.32 -0.38 -1.58 115.64 107.29 2p5w s THR 68 Ca -0.09 -0.23 -0.26 0.00 -1.21 0.00 0.00 61.69 59.90 2p5w s THR 68 Cb -0.02 -0.91 -0.09 0.00 -1.51 0.00 0.00 72.50 69.97 2p5w s THR 68 CO 0.01 -0.13 1.14 -0.70 -2.21 0.00 0.00 174.62 172.73 2p5w s GLU 69 N -1.87 4.27 0.04 7.08 2.12 -1.26 0.43 118.70 129.50 2p5w s GLU 69 Ca -0.08 1.79 -0.26 0.00 0.36 0.00 0.00 54.97 56.78 2p5w s GLU 69 Cb -0.01 -2.83 0.07 0.00 0.26 0.00 0.00 34.13 31.62 2p5w s GLU 69 CO 0.03 -0.12 0.62 -0.59 -0.54 0.00 0.00 175.26 174.65 2p5w s PHE 70 N -1.37 -0.57 -0.38 5.30 -0.71 -0.38 -4.79 117.98 115.09 2p5w s PHE 70 Ca 0.53 0.72 0.00 0.00 -1.04 0.00 0.00 56.93 57.14 2p5w s PHE 70 Cb -0.30 0.44 0.11 0.00 -1.21 0.00 0.00 43.02 42.06 2p5w s PHE 70 CO 0.38 -0.69 0.14 0.99 -1.34 0.00 0.00 175.22 174.70 2p5w s THR 71 N -2.29 2.84 0.63 -4.49 2.01 -1.26 -0.17 115.64 112.90 2p5w s THR 71 Ca -0.06 -2.23 -0.18 0.00 0.31 0.00 0.00 61.69 59.54 2p5w s THR 71 Cb -0.01 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 2p5w s THR 71 CO -0.00 -0.66 1.19 -2.16 -0.69 0.00 0.00 174.62 172.30 2p5w s PRO 72 N 0.99 2.79 0.24 4.92 0.04 -1.26 -4.77 135.00 137.95 2p5w s PRO 72 Ca 0.10 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2p5w s PRO 72 Cb -0.21 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2p5w s PRO 72 CO -0.06 -1.33 0.12 0.95 0.04 0.00 0.00 177.00 176.73 2p5w s THR 73 N -1.78 0.25 0.29 1.26 -4.23 -1.26 -0.82 115.64 109.35 2p5w s THR 73 Ca 0.75 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 2p5w s THR 73 Cb -0.29 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.14 2p5w s THR 73 CO 0.36 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.19 2p5w h GLU 74 N 2.48 0.73 0.00 3.99 4.81 -1.98 -3.34 114.58 121.27 2p5w h GLU 74 Ca -0.36 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2p5w h GLU 74 Cb 1.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2p5w h GLU 74 CO 0.56 0.70 -0.73 1.63 -0.73 0.00 0.00 179.01 180.44 2p5w n LYS 75 N -4.26 2.84 -2.43 1.92 5.02 -1.26 -4.99 118.16 115.00 2p5w n LYS 75 Ca 0.03 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2p5w n LYS 75 Cb 0.25 -1.04 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 2p5w n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2p5w s ASP 76 N -2.26 7.15 -0.23 4.39 -0.00 -1.26 -5.02 116.67 119.45 2p5w s ASP 76 Ca 0.02 2.15 -0.09 0.00 -0.00 0.00 0.00 52.55 54.63 2p5w s ASP 76 Cb 0.07 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.35 2p5w s ASP 76 CO 0.41 -0.33 0.10 -1.61 -0.00 0.00 0.00 175.17 173.74 2p5w s GLU 77 N -0.08 3.91 0.07 8.23 2.02 -1.26 -4.74 118.70 126.86 2p5w s GLU 77 Ca 0.52 -0.36 0.06 0.00 0.02 0.00 0.00 54.97 55.21 2p5w s GLU 77 Cb -0.31 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 2p5w s GLU 77 CO 0.35 0.05 -0.07 0.71 0.02 0.00 0.00 175.26 176.32 2p5w s TYR 78 N 1.03 2.84 0.17 1.61 2.02 -1.26 0.44 117.35 124.20 2p5w s TYR 78 Ca 0.05 -0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.47 2p5w s TYR 78 Cb -0.14 -1.50 0.04 0.00 -0.40 0.00 0.00 41.96 39.96 2p5w s TYR 78 CO 0.04 0.42 0.53 0.00 -1.57 0.00 0.00 175.55 174.97 2p5w s ALA 79 N -1.18 -1.16 -0.11 3.71 0.00 -0.85 -0.75 121.76 121.42 2p5w s ALA 79 Ca 0.21 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.24 2p5w s ALA 79 Cb -0.11 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 2p5w s ALA 79 CO 0.13 -0.77 -0.22 0.00 0.00 0.00 0.00 175.76 174.90 2p5w s ARG 81 N 0.36 2.96 -0.06 0.00 3.52 0.08 -0.51 118.95 125.31 2p5w s ARG 81 Ca -0.17 -0.89 0.04 0.00 -0.13 0.00 0.00 55.73 54.57 2p5w s ARG 81 Cb -0.18 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 2p5w s ARG 81 CO 0.08 -0.35 -0.16 0.08 -0.81 0.00 0.00 175.30 174.14 2p5w s VAL 82 N 1.36 2.85 -0.03 7.11 1.01 0.13 -1.57 120.40 131.26 2p5w s VAL 82 Ca 0.02 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2p5w s VAL 82 Cb -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2p5w s VAL 82 CO -0.05 0.58 -0.09 0.21 0.00 0.00 0.00 175.10 175.75 2p5w s ASN 83 N -0.50 1.26 0.12 3.32 3.84 -0.31 0.24 114.94 122.90 2p5w s ASN 83 Ca 0.06 -0.20 -0.14 0.00 0.21 0.00 0.00 52.86 52.80 2p5w s ASN 83 Cb -0.12 -0.34 0.02 0.00 -0.55 0.00 0.00 41.25 40.27 2p5w s ASN 83 CO 0.01 0.07 0.34 -2.28 -2.79 0.00 0.00 177.10 172.46 2p5w s HIS 84 N 0.18 -0.09 0.60 0.43 5.65 -1.26 -1.70 115.29 119.10 2p5w s HIS 84 Ca -0.03 -0.26 0.30 0.00 0.25 0.00 0.00 55.06 55.32 2p5w s HIS 84 Cb -0.09 0.17 1.82 0.00 -1.18 0.00 0.00 32.58 33.30 2p5w s HIS 84 CO 0.01 -0.66 2.22 -0.39 -0.65 0.00 0.00 174.74 175.27 2p5w h VAL 85 N 2.47 0.48 0.00 0.89 -1.51 -1.95 -1.41 116.25 115.23 2p5w h VAL 85 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2p5w h VAL 85 Cb 1.24 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2p5w h VAL 85 CO 0.49 0.00 -0.11 0.35 -1.23 0.00 0.00 177.57 177.07 2p5w n THR 86 N -3.78 0.44 -3.65 7.19 -2.24 -1.26 -4.69 114.28 106.28 2p5w n THR 86 Ca -0.02 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 2p5w n THR 86 Cb 0.14 -0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 67.78 2p5w n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2p5w s LEU 87 N -4.19 3.89 0.22 3.22 1.43 -0.53 -4.92 118.68 117.80 2p5w s LEU 87 Ca 0.11 -0.24 0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2p5w s LEU 87 Cb 0.14 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2p5w s LEU 87 CO 0.61 -0.10 1.42 0.77 0.23 0.00 0.00 176.35 179.28 2p5w h SER 88 N 8.33 0.00 -4.41 2.29 4.64 -1.84 -3.41 113.55 119.16 2p5w h SER 88 Ca -0.35 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.31 2p5w h SER 88 Cb 1.17 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.96 2p5w h SER 88 CO 0.58 0.72 -0.87 -1.58 -0.87 0.00 0.00 176.83 174.80 2p5w s GLN 89 N -2.98 2.02 0.57 4.77 0.74 -1.26 -5.11 119.66 118.40 2p5w s GLN 89 Ca 0.02 -0.84 -0.20 0.00 0.05 0.00 0.00 55.36 54.38 2p5w s GLN 89 Cb 0.09 -1.89 -0.04 0.00 1.10 0.00 0.00 33.01 32.27 2p5w s GLN 89 CO 0.77 0.47 1.26 -2.30 -0.55 0.00 0.00 175.29 174.94 2p5w n PRO 90 N 2.61 1.41 -3.89 1.67 -0.02 -1.26 -4.95 135.00 130.56 2p5w n PRO 90 Ca -0.16 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.49 2p5w n PRO 90 Cb 0.52 -2.47 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 2p5w n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p5w s ILE 92 N 1.41 4.24 -0.18 0.00 -1.09 -1.26 0.18 121.20 124.50 2p5w s ILE 92 Ca 0.05 -0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.27 2p5w s ILE 92 Cb -0.15 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 2p5w s ILE 92 CO 0.01 0.38 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.25 2p5w s VAL 93 N 1.27 2.39 0.37 2.92 1.01 0.34 -4.98 120.40 123.72 2p5w s VAL 93 Ca 0.04 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 2p5w s VAL 93 Cb -0.15 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 2p5w s VAL 93 CO 0.03 0.51 0.94 -0.54 0.00 0.00 0.00 175.10 176.04 2p5w s LYS 94 N 1.26 4.43 0.03 2.72 1.02 -1.26 -0.79 119.74 127.15 2p5w s LYS 94 Ca 0.04 1.23 -0.28 0.00 0.02 0.00 0.00 55.97 56.98 2p5w s LYS 94 Cb -0.14 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2p5w s LYS 94 CO -0.09 0.15 0.89 -0.46 -0.92 0.00 0.00 175.35 174.92 2p5w s TRP 95 N -1.86 3.70 -0.11 3.18 -0.00 0.07 -4.86 118.94 119.07 2p5w s TRP 95 Ca 0.55 1.61 0.02 0.00 -0.00 0.00 0.00 56.10 58.29 2p5w s TRP 95 Cb -0.14 -2.99 0.01 0.00 -0.00 0.00 0.00 33.47 30.34 2p5w s TRP 95 CO 0.19 0.12 -0.17 0.34 -0.00 0.00 0.00 176.95 177.43 2p5w s ASP 96 N 0.49 2.56 0.58 5.86 -1.08 -1.26 -4.75 116.67 119.08 2p5w s ASP 96 Ca 0.46 -0.46 0.29 0.00 -0.52 0.00 0.00 52.55 52.32 2p5w s ASP 96 Cb -0.21 -1.16 1.78 0.00 -1.46 0.00 0.00 42.92 41.87 2p5w s ASP 96 CO 0.26 0.04 2.24 0.08 0.52 0.00 0.00 175.17 178.31 2p5w h ARG 97 N 7.29 0.00 -0.79 4.34 0.11 -1.96 -2.47 114.38 120.91 2p5w h ARG 97 Ca -0.30 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.39 2p5w h ARG 97 Cb 1.18 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.03 2p5w h ARG 97 CO 0.50 0.01 0.41 -3.47 0.10 0.00 0.00 179.97 177.52 2p5w n ASP 98 N -3.86 3.50 0.00 0.08 4.64 -1.26 -4.77 116.55 114.87 2p5w n ASP 98 Ca -0.03 -3.61 0.00 0.00 -1.38 0.00 0.00 54.79 49.77 2p5w n ASP 98 Cb 0.09 -0.77 0.00 0.00 -1.04 0.00 0.00 41.12 39.40 2p5w n ASP 98 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61