#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5w n GLY 1 N 0.00 -1.19 3.67 -5.12 0.00 -1.26 -4.84 105.19 96.45 2p5w n GLY 1 Ca 0.00 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 2p5w n GLY 1 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p5w s VAL 2 N 0.00 5.28 -0.24 1.61 1.01 -1.26 -3.98 120.40 122.82 2p5w s VAL 2 Ca 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 2p5w s VAL 2 Cb 0.00 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.80 2p5w s VAL 2 CO 0.00 0.31 -0.09 -0.89 0.00 0.00 0.00 175.10 174.43 2p5w s THR 3 N 1.10 2.63 -0.06 3.92 2.01 -0.22 -4.52 115.64 120.50 2p5w s THR 3 Ca 0.14 -1.14 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 2p5w s THR 3 Cb -0.14 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 2p5w s THR 3 CO 0.06 0.19 -0.00 -1.10 -0.69 0.00 0.00 174.62 173.08 2p5w s GLN 4 N 1.27 2.91 -0.09 4.92 -0.21 -1.26 -1.80 119.66 125.40 2p5w s GLN 4 Ca -0.01 -0.48 -0.09 0.00 0.02 0.00 0.00 55.36 54.80 2p5w s GLN 4 Cb -0.17 -2.74 0.02 0.00 1.00 0.00 0.00 33.01 31.13 2p5w s GLN 4 CO -0.06 0.68 0.25 0.95 -2.12 0.00 0.00 175.29 174.99 2p5w s THR 5 N -0.94 0.01 0.65 -0.19 -4.23 -0.91 -4.53 115.64 105.50 2p5w s THR 5 Ca 0.15 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.52 2p5w s THR 5 Cb -0.11 -0.38 0.01 0.00 1.34 0.00 0.00 72.50 73.36 2p5w s THR 5 CO 0.05 -0.03 1.01 -2.16 -0.54 0.00 0.00 174.62 172.94 2p5w s PRO 6 N -0.01 2.93 0.20 3.99 0.04 -1.26 -0.52 135.00 140.38 2p5w s PRO 6 Ca -0.01 0.28 0.11 0.00 0.04 0.00 0.00 61.00 61.42 2p5w s PRO 6 Cb -0.02 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 2p5w s PRO 6 CO 0.01 -0.86 1.37 0.87 0.04 0.00 0.00 177.00 178.42 2p5w h LYS 7 N -0.43 0.00 -3.77 4.56 1.79 -1.81 -3.41 116.57 113.51 2p5w h LYS 7 Ca -0.45 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.86 2p5w h LYS 7 Cb 1.25 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.69 2p5w h LYS 7 CO 0.62 0.75 -0.61 -0.06 -1.08 0.00 0.00 179.45 179.07 2p5w s PHE 8 N -2.85 0.16 -0.28 -1.35 0.08 -1.26 -0.60 117.98 111.89 2p5w s PHE 8 Ca 0.02 -0.34 -0.25 0.00 0.12 0.00 0.00 56.93 56.49 2p5w s PHE 8 Cb 0.09 -0.12 0.09 0.00 -0.57 0.00 0.00 43.02 42.51 2p5w s PHE 8 CO 0.78 -0.23 0.85 -1.14 -0.10 0.00 0.00 175.22 175.38 2p5w s GLN 9 N -1.38 0.70 -0.15 0.44 2.00 -0.40 -4.91 119.66 115.95 2p5w s GLN 9 Ca -0.15 0.84 -0.01 0.00 -2.00 0.00 0.00 55.36 54.05 2p5w s GLN 9 Cb -0.09 0.33 -0.01 0.00 0.80 0.00 0.00 33.01 34.05 2p5w s GLN 9 CO 0.00 -0.08 -0.12 0.08 -0.50 0.00 0.00 175.29 174.66 2p5w s VAL 10 N 0.36 2.98 0.20 1.34 1.01 -1.26 -2.07 120.40 122.95 2p5w s VAL 10 Ca 0.01 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.43 2p5w s VAL 10 Cb -0.05 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2p5w s VAL 10 CO -0.03 0.51 -0.22 -0.76 0.00 0.00 0.00 175.10 174.60 2p5w s LEU 11 N 0.69 2.46 0.07 3.92 1.43 -0.37 -4.89 118.68 121.99 2p5w s LEU 11 Ca -0.06 -0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 52.06 2p5w s LEU 11 Cb -0.15 -1.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 2p5w s LEU 11 CO 0.02 0.06 0.37 -0.75 0.23 0.00 0.00 176.35 176.28 2p5w s LYS 12 N -2.84 3.72 0.13 1.70 2.47 -1.26 0.18 119.74 123.84 2p5w s LYS 12 Ca 0.21 0.12 -0.34 0.00 -1.56 0.00 0.00 55.97 54.40 2p5w s LYS 12 Cb -0.07 -3.01 -0.14 0.00 -1.46 0.00 0.00 37.83 33.15 2p5w s LYS 12 CO 0.10 0.58 1.61 2.41 0.16 0.00 0.00 175.35 180.20 2p5w n THR 13 N 0.93 0.07 0.00 3.43 -1.04 -0.24 -1.86 114.28 115.57 2p5w n THR 13 Ca -0.08 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2p5w n THR 13 Cb 0.52 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2p5w n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2p5w n GLY 14 N 3.52 1.74 3.81 3.41 0.00 0.92 -4.94 105.19 113.65 2p5w n GLY 14 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2p5w n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p5w s GLN 15 N -0.89 3.29 0.16 1.61 -0.21 -0.78 -4.32 119.66 118.52 2p5w s GLN 15 Ca 0.00 1.17 0.03 0.00 0.02 0.00 0.00 55.36 56.58 2p5w s GLN 15 Cb 0.00 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 2p5w s GLN 15 CO 0.00 -0.83 0.26 -1.54 -2.12 0.00 0.00 175.29 171.06 2p5w s SER 16 N -2.92 6.19 -0.21 5.90 1.04 -1.26 -0.19 113.70 122.26 2p5w s SER 16 Ca 0.63 0.11 -0.21 0.00 0.48 0.00 0.00 55.95 56.95 2p5w s SER 16 Cb -0.16 -1.82 0.06 0.00 0.10 0.00 0.00 66.02 64.20 2p5w s SER 16 CO 0.39 0.05 0.60 -0.32 0.98 0.00 0.00 173.24 174.93 2p5w s MET 17 N -3.26 0.72 -0.15 4.02 1.75 -0.83 -4.99 119.30 116.56 2p5w s MET 17 Ca 0.34 0.77 0.01 0.00 -1.25 0.00 0.00 55.69 55.56 2p5w s MET 17 Cb -0.11 0.35 0.00 0.00 2.84 0.00 0.00 34.83 37.92 2p5w s MET 17 CO 0.28 -0.10 -0.18 0.99 -0.65 0.00 0.00 175.02 175.36 2p5w s THR 18 N 0.18 2.46 -0.13 10.11 2.01 -1.26 -0.25 115.64 128.76 2p5w s THR 18 Ca -0.01 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 2p5w s THR 18 Cb -0.04 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2p5w s THR 18 CO 0.01 0.53 0.15 -0.76 -0.69 0.00 0.00 174.62 173.86 2p5w s LEU 19 N 0.78 4.36 0.14 4.42 1.43 0.17 -4.79 118.68 125.18 2p5w s LEU 19 Ca -0.07 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2p5w s LEU 19 Cb -0.16 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 2p5w s LEU 19 CO -0.00 0.36 0.18 -1.10 0.23 0.00 0.00 176.35 176.02 2p5w s GLN 20 N -0.75 3.12 -0.18 1.70 -1.52 0.32 -1.06 119.66 121.29 2p5w s GLN 20 Ca 0.14 -0.71 -0.07 0.00 -1.95 0.00 0.00 55.36 52.77 2p5w s GLN 20 Cb -0.12 -2.80 0.08 0.00 -0.22 0.00 0.00 33.01 29.95 2p5w s GLN 20 CO 0.03 0.52 0.40 0.00 -0.25 0.00 0.00 175.29 176.00 2p5w s ALA 22 N 2.28 1.14 -0.03 0.00 0.00 -0.74 -1.43 121.76 122.98 2p5w s ALA 22 Ca -0.03 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 2p5w s ALA 22 Cb -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2p5w s ALA 22 CO -0.12 0.16 0.17 1.14 0.00 0.00 0.00 175.76 177.10 2p5w s GLN 23 N -1.73 0.36 -0.27 0.00 1.03 -0.47 -1.06 119.66 117.52 2p5w s GLN 23 Ca -0.02 -0.07 0.09 0.00 0.04 0.00 0.00 55.36 55.39 2p5w s GLN 23 Cb -0.10 0.16 0.46 0.00 0.03 0.00 0.00 33.01 33.55 2p5w s GLN 23 CO 0.02 -0.07 1.32 -0.40 -2.54 0.00 0.00 175.29 173.62 2p5w n ASP 24 N 2.19 2.75 -0.64 12.60 5.75 -1.26 -4.50 116.55 133.45 2p5w n ASP 24 Ca -0.18 -3.84 0.07 0.00 -0.01 0.00 0.00 54.79 50.83 2p5w n ASP 24 Cb 0.57 -0.54 0.10 0.00 -1.03 0.00 0.00 41.12 40.22 2p5w n ASP 24 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2p5w n MET 25 N -1.04 1.57 -3.05 0.11 2.81 -1.26 -4.97 117.12 111.28 2p5w n MET 25 Ca 0.30 -1.62 -0.19 0.00 -1.81 0.00 0.00 57.70 54.38 2p5w n MET 25 Cb 0.85 -1.29 0.04 0.00 -0.71 0.00 0.00 33.22 32.11 2p5w n MET 25 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2p5w n ASN 26 N 0.78 -5.51 -4.70 7.83 5.03 -1.26 -4.96 115.26 112.46 2p5w n ASN 26 Ca 0.10 -0.30 -0.42 0.00 0.87 0.00 0.00 54.58 54.83 2p5w n ASN 26 Cb 0.39 -4.28 -0.03 0.00 -1.02 0.00 0.00 39.78 34.84 2p5w n ASN 26 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2p5w s HIS 27 N -3.14 3.33 0.23 3.10 3.76 -1.26 -4.93 115.29 116.39 2p5w s HIS 27 Ca 0.33 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.53 2p5w s HIS 27 Cb -0.14 -3.39 0.25 0.00 1.11 0.00 0.00 32.58 30.40 2p5w s HIS 27 CO 0.40 -1.18 1.60 0.93 -0.85 0.00 0.00 174.74 175.64 2p5w h GLU 28 N 7.13 0.48 -5.45 1.40 3.07 -1.85 -3.44 114.58 115.92 2p5w h GLU 28 Ca -0.38 -0.25 -0.59 0.00 -0.50 0.00 0.00 59.36 57.63 2p5w h GLU 28 Cb 1.19 0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 29.00 2p5w h GLU 28 CO 0.84 0.83 -0.30 -0.47 -1.40 0.00 0.00 179.01 178.51 2p5w s TYR 29 N -4.16 3.43 0.04 4.33 5.04 -0.84 -3.57 117.35 121.61 2p5w s TYR 29 Ca -0.07 0.59 0.02 0.00 -2.44 0.00 0.00 57.07 55.17 2p5w s TYR 29 Cb 0.12 -2.40 -0.02 0.00 0.35 0.00 0.00 41.96 40.01 2p5w s TYR 29 CO 0.81 0.15 -0.08 -1.64 -1.34 0.00 0.00 175.55 173.46 2p5w s MET 30 N 0.76 0.53 0.13 4.97 -1.94 -0.86 -1.60 119.30 121.28 2p5w s MET 30 Ca 0.17 -0.67 -0.20 0.00 -1.71 0.00 0.00 55.69 53.29 2p5w s MET 30 Cb -0.14 -0.35 0.05 0.00 2.01 0.00 0.00 34.83 36.40 2p5w s MET 30 CO 0.05 0.07 0.49 -1.54 -0.01 0.00 0.00 175.02 174.09 2p5w s SER 31 N -1.32 -0.39 -0.03 3.03 1.04 0.16 -1.18 113.70 115.02 2p5w s SER 31 Ca -0.07 -0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.29 2p5w s SER 31 Cb -0.09 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 2p5w s SER 31 CO 0.00 -0.88 -0.21 0.26 0.98 0.00 0.00 173.24 173.40 2p5w s TRP 32 N -3.59 1.89 0.20 5.02 0.52 -0.71 -1.37 118.94 120.91 2p5w s TRP 32 Ca 0.01 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.77 2p5w s TRP 32 Cb 0.00 -1.23 -0.05 0.00 -1.15 0.00 0.00 33.47 31.04 2p5w s TRP 32 CO -0.11 -0.08 -0.08 0.71 0.02 0.00 0.00 176.95 177.41 2p5w s TYR 33 N -0.35 1.56 0.06 -1.98 2.02 0.38 -0.56 117.35 118.49 2p5w s TYR 33 Ca 0.05 -0.73 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 2p5w s TYR 33 Cb -0.09 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 2p5w s TYR 33 CO 0.00 0.16 -0.13 -0.98 -1.57 0.00 0.00 175.55 173.04 2p5w s ARG 34 N -3.74 0.76 -0.18 -0.62 1.70 -0.59 -0.96 118.95 115.32 2p5w s ARG 34 Ca 0.23 -0.90 -0.04 0.00 -0.47 0.00 0.00 55.73 54.55 2p5w s ARG 34 Cb 0.03 -0.71 0.09 0.00 -0.57 0.00 0.00 34.95 33.78 2p5w s ARG 34 CO 0.06 0.16 0.27 -1.14 -1.08 0.00 0.00 175.30 173.56 2p5w s GLN 35 N -1.66 0.20 0.63 3.89 0.74 -0.24 -0.34 119.66 122.88 2p5w s GLN 35 Ca -0.04 0.51 -0.12 0.00 0.05 0.00 0.00 55.36 55.77 2p5w s GLN 35 Cb -0.10 -0.54 -0.03 0.00 1.10 0.00 0.00 33.01 33.44 2p5w s GLN 35 CO 0.02 -0.48 1.04 -0.51 -0.55 0.00 0.00 175.29 174.80 2p5w s ASP 36 N 2.41 5.97 -0.21 6.67 1.01 -1.26 -2.57 116.67 128.69 2p5w s ASP 36 Ca 0.05 1.54 -0.38 0.00 0.71 0.00 0.00 52.55 54.47 2p5w s ASP 36 Cb -0.14 -2.49 -0.14 0.00 1.01 0.00 0.00 42.92 41.16 2p5w s ASP 36 CO -0.11 -1.04 1.81 -2.65 0.21 0.00 0.00 175.17 173.39 2p5w n PRO 37 N -2.65 1.55 -0.92 8.23 -0.02 -1.26 -1.31 135.00 138.62 2p5w n PRO 37 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2p5w n PRO 37 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2p5w n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p5w n GLY 38 N 4.35 0.79 3.95 -1.23 0.00 -1.26 -5.01 105.19 106.78 2p5w n GLY 38 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2p5w n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2p5w n MET 39 N -2.02 0.62 -2.66 1.61 2.81 -0.43 -5.12 117.12 111.93 2p5w n MET 39 Ca 0.00 -3.31 -0.24 0.00 -1.81 0.00 0.00 57.70 52.34 2p5w n MET 39 Cb 0.01 -0.01 0.03 0.00 -0.71 0.00 0.00 33.22 32.54 2p5w n MET 39 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2p5w s GLY 40 N -4.53 1.63 0.12 3.03 0.00 -1.26 -4.67 107.32 101.63 2p5w s GLY 40 Ca 0.50 -0.95 -0.31 0.00 0.00 0.00 0.00 44.72 43.96 2p5w s GLY 40 CO 0.32 -0.70 1.40 1.08 0.00 0.00 0.00 173.10 175.20 2p5w s LEU 41 N -4.80 4.37 -0.14 0.66 1.43 -1.26 -4.41 118.68 114.53 2p5w s LEU 41 Ca 0.52 2.34 0.02 0.00 -1.03 0.00 0.00 54.13 55.98 2p5w s LEU 41 Cb -0.10 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.54 2p5w s LEU 41 CO 0.41 -0.66 -0.20 -0.13 0.23 0.00 0.00 176.35 176.00 2p5w s ARG 42 N 1.13 2.81 0.04 1.70 0.52 0.54 -4.97 118.95 120.73 2p5w s ARG 42 Ca 0.65 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 2p5w s ARG 42 Cb -0.37 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 2p5w s ARG 42 CO 0.30 -0.07 1.18 -1.17 0.02 0.00 0.00 175.30 175.56 2p5w s LEU 43 N 0.96 4.36 -0.07 2.53 2.96 -1.26 -1.54 118.68 126.62 2p5w s LEU 43 Ca -0.04 1.96 -0.05 0.00 -0.22 0.00 0.00 54.13 55.77 2p5w s LEU 43 Cb -0.15 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 2p5w s LEU 43 CO -0.04 -0.46 -0.10 -0.38 -1.32 0.00 0.00 176.35 174.05 2p5w n ILE 44 N 4.00 0.67 -4.01 6.68 5.41 0.28 -0.20 119.36 132.19 2p5w n ILE 44 Ca 0.09 0.36 -0.10 0.00 1.00 0.00 0.00 62.75 64.10 2p5w n ILE 44 Cb 0.47 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 37.41 2p5w n ILE 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2p5w s HIS 45 N -1.66 0.51 0.25 1.39 3.76 -1.23 -0.90 115.29 117.41 2p5w s HIS 45 Ca -0.09 -0.86 -0.14 0.00 -0.15 0.00 0.00 55.06 53.82 2p5w s HIS 45 Cb 0.01 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.60 2p5w s HIS 45 CO 0.13 -0.74 0.51 1.52 -0.85 0.00 0.00 174.74 175.30 2p5w s TYR 46 N -4.00 0.27 -0.13 1.40 -0.85 -0.39 -1.73 117.35 111.92 2p5w s TYR 46 Ca 0.21 -0.64 -0.08 0.00 -0.52 0.00 0.00 57.07 56.04 2p5w s TYR 46 Cb 0.03 0.26 0.05 0.00 0.38 0.00 0.00 41.96 42.68 2p5w s TYR 46 CO 0.03 -1.01 0.31 0.45 -1.52 0.00 0.00 175.55 173.80 2p5w s SER 47 N -3.00 -0.35 0.00 -0.18 0.15 -0.32 -0.97 113.70 109.03 2p5w s SER 47 Ca 0.20 0.65 0.19 0.00 0.70 0.00 0.00 55.95 57.70 2p5w s SER 47 Cb -0.01 0.57 0.05 0.00 -1.71 0.00 0.00 66.02 64.92 2p5w s SER 47 CO 0.08 -0.16 1.03 1.33 1.20 0.00 0.00 173.24 176.72 2p5w n VAL 48 N 3.87 0.00 -3.59 4.45 0.24 -1.26 -2.03 118.33 120.01 2p5w n VAL 48 Ca -0.21 -0.37 -0.04 0.00 -2.04 0.00 0.00 64.34 61.67 2p5w n VAL 48 Cb 0.55 1.29 -0.02 0.00 -1.47 0.00 0.00 33.84 34.20 2p5w n VAL 48 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2p5w s SER 49 N -1.99 -0.19 0.41 -1.34 0.15 -1.23 -4.52 113.70 105.00 2p5w s SER 49 Ca 0.19 -0.06 -0.26 0.00 0.70 0.00 0.00 55.95 56.52 2p5w s SER 49 Cb 0.16 0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 64.62 2p5w s SER 49 CO 0.40 -0.40 1.40 0.68 1.20 0.00 0.00 173.24 176.52 2p5w s VAL 50 N -2.68 2.24 0.00 4.45 -7.23 -1.26 -1.90 120.40 114.02 2p5w s VAL 50 Ca 0.09 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 2p5w s VAL 50 Cb -0.00 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.81 2p5w s VAL 50 CO -0.05 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 2p5w n GLY 51 N 0.59 0.40 3.02 2.32 0.00 0.99 -5.00 105.19 107.50 2p5w n GLY 51 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2p5w n GLY 51 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2p5w s MET 52 N -0.52 1.39 0.01 1.61 -2.45 -0.80 -5.02 119.30 113.51 2p5w s MET 52 Ca 0.00 -0.37 -0.08 0.00 -1.25 0.00 0.00 55.69 53.99 2p5w s MET 52 Cb 0.00 -1.21 0.00 0.00 1.25 0.00 0.00 34.83 34.88 2p5w s MET 52 CO 0.00 0.07 0.16 0.95 1.05 0.00 0.00 175.02 177.25 2p5w s THR 53 N 0.46 0.09 0.06 10.11 -4.23 -1.26 -4.21 115.64 116.65 2p5w s THR 53 Ca -0.09 -0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 59.65 2p5w s THR 53 Cb -0.13 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 2p5w s THR 53 CO 0.02 -0.39 0.09 -1.81 -0.54 0.00 0.00 174.62 171.99 2p5w s ASP 54 N -1.50 0.25 0.24 3.99 1.01 -0.14 -4.98 116.67 115.54 2p5w s ASP 54 Ca -0.13 -0.71 -0.11 0.00 0.71 0.00 0.00 52.55 52.31 2p5w s ASP 54 Cb -0.06 0.26 -0.08 0.00 1.01 0.00 0.00 42.92 44.05 2p5w s ASP 54 CO 0.01 -0.61 0.59 -1.10 0.21 0.00 0.00 175.17 174.27 2p5w s GLN 55 N -3.40 3.87 0.00 8.23 -0.21 -1.26 -1.26 119.66 125.63 2p5w s GLN 55 Ca 0.02 0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.78 2p5w s GLN 55 Cb 0.03 -2.63 0.00 0.00 1.00 0.00 0.00 33.01 31.41 2p5w s GLN 55 CO -0.08 0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 2p5w n GLY 56 N -0.09 1.58 0.12 3.09 0.00 -0.08 -4.87 105.19 104.94 2p5w n GLY 56 Ca 0.01 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2p5w n GLY 56 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2p5w h GLU 57 N 0.00 0.31 -2.27 1.61 4.81 -0.80 -3.41 114.58 114.82 2p5w h GLU 57 Ca 0.00 -0.45 -0.58 0.00 -0.13 0.00 0.00 59.36 58.20 2p5w h GLU 57 Cb 0.00 0.16 -0.39 0.00 0.63 0.00 0.00 28.75 29.15 2p5w h GLU 57 CO 0.00 1.18 -0.97 1.33 -0.73 0.00 0.00 179.01 179.82 2p5w n VAL 58 N -3.60 -0.55 0.59 0.32 0.24 -0.63 -4.94 118.33 109.76 2p5w n VAL 58 Ca -0.08 -3.89 0.12 0.00 -2.04 0.00 0.00 64.34 58.46 2p5w n VAL 58 Cb 0.96 -1.84 0.27 0.00 -1.47 0.00 0.00 33.84 31.76 2p5w n VAL 58 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2p5w n PRO 59 N 2.07 0.28 -1.67 7.34 -0.04 -1.24 -4.46 135.00 137.28 2p5w n PRO 59 Ca 0.26 0.14 -0.46 0.00 -0.04 0.00 0.00 63.50 63.41 2p5w n PRO 59 Cb 0.48 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 2p5w n PRO 59 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2p5w n ASN 60 N -2.19 3.75 0.00 3.54 5.03 -1.26 -1.83 115.26 122.30 2p5w n ASN 60 Ca 0.04 0.95 0.00 0.00 0.87 0.00 0.00 54.58 56.44 2p5w n ASN 60 Cb 0.44 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.75 2p5w n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2p5w n GLY 61 N 4.42 0.72 3.18 7.41 0.00 -1.26 -5.06 105.19 114.60 2p5w n GLY 61 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 2p5w n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p5w s TYR 62 N -2.76 1.22 0.03 1.61 2.02 -0.76 -2.81 117.35 115.89 2p5w s TYR 62 Ca 0.00 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 2p5w s TYR 62 Cb 0.00 -0.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2p5w s TYR 62 CO 0.00 0.06 -0.07 -0.80 -1.57 0.00 0.00 175.55 173.17 2p5w s ASN 63 N -1.94 0.82 0.13 2.29 0.02 -0.57 -4.97 114.94 110.72 2p5w s ASN 63 Ca 0.01 -0.40 0.01 0.00 -1.02 0.00 0.00 52.86 51.46 2p5w s ASN 63 Cb -0.08 -0.00 -0.04 0.00 0.02 0.00 0.00 41.25 41.14 2p5w s ASN 63 CO 0.02 -0.11 -0.02 0.68 0.02 0.00 0.00 177.10 177.69 2p5w s VAL 64 N -0.96 0.60 0.03 1.60 -7.23 -1.26 0.06 120.40 113.23 2p5w s VAL 64 Ca -0.06 -1.95 -0.08 0.00 -1.81 0.00 0.00 61.98 58.08 2p5w s VAL 64 Cb -0.07 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2p5w s VAL 64 CO 0.00 -0.66 0.17 -0.94 -0.31 0.00 0.00 175.10 173.35 2p5w s SER 65 N -3.09 0.05 -0.45 4.85 1.04 -1.24 -5.04 113.70 109.82 2p5w s SER 65 Ca 0.18 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.33 2p5w s SER 65 Cb 0.06 0.25 0.20 0.00 0.10 0.00 0.00 66.02 66.63 2p5w s SER 65 CO -0.01 -0.49 0.43 -1.14 0.98 0.00 0.00 173.24 173.01 2p5w n ARG 66 N 0.94 0.62 0.05 4.02 3.00 -1.26 -3.96 116.66 120.07 2p5w n ARG 66 Ca -0.20 -3.39 0.12 0.00 -0.00 0.00 0.00 57.85 54.38 2p5w n ARG 66 Cb 0.58 -1.63 0.24 0.00 0.00 0.00 0.00 32.46 31.65 2p5w n ARG 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2p5w n SER 67 N 2.23 0.64 -4.09 6.15 3.41 -1.26 -0.01 113.62 120.69 2p5w n SER 67 Ca 0.26 0.14 -0.07 0.00 -0.26 0.00 0.00 58.87 58.94 2p5w n SER 67 Cb 0.48 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 2p5w n SER 67 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2p5w s THR 68 N -3.12 0.22 0.28 6.66 -4.23 -1.26 -4.86 115.64 109.33 2p5w s THR 68 Ca 0.08 -1.79 0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2p5w s THR 68 Cb 0.14 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.51 2p5w s THR 68 CO 0.69 -0.99 1.68 -0.29 -0.54 0.00 0.00 174.62 175.17 2p5w h ILE 69 N 3.18 1.32 -0.01 2.99 2.10 -1.95 -3.31 117.51 121.82 2p5w h ILE 69 Ca -0.34 -1.84 -0.21 0.00 1.08 0.00 0.00 64.86 63.55 2p5w h ILE 69 Cb 1.14 2.01 -0.00 0.00 -1.09 0.00 0.00 36.82 38.88 2p5w h ILE 69 CO 0.66 0.52 -0.88 -0.33 -1.08 0.00 0.00 178.15 177.03 2p5w h GLU 70 N 0.00 0.35 -6.44 2.19 3.07 -1.91 -3.45 114.58 108.38 2p5w h GLU 70 Ca -0.01 -0.36 -0.66 0.00 -0.50 0.00 0.00 59.36 57.83 2p5w h GLU 70 Cb 0.97 0.10 -0.15 0.00 -0.84 0.00 0.00 28.75 28.82 2p5w h GLU 70 CO 0.07 1.04 -0.71 -0.51 -1.40 0.00 0.00 179.01 177.49 2p5w s ASP 71 N -7.02 4.58 -0.45 1.42 1.11 -1.25 -1.37 116.67 113.70 2p5w s ASP 71 Ca -0.05 -0.28 0.05 0.00 0.18 0.00 0.00 52.55 52.45 2p5w s ASP 71 Cb 0.09 -0.97 0.18 0.00 1.07 0.00 0.00 42.92 43.29 2p5w s ASP 71 CO 0.85 0.20 0.50 0.33 1.18 0.00 0.00 175.17 178.23 2p5w n PHE 72 N 0.90 -1.98 -2.47 4.23 7.35 -0.51 -4.57 117.46 120.40 2p5w n PHE 72 Ca -0.13 -2.60 -0.38 0.00 -0.76 0.00 0.00 57.45 53.57 2p5w n PHE 72 Cb 0.52 0.69 -0.04 0.00 0.35 0.00 0.00 39.48 41.01 2p5w n PHE 72 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2p5w s PRO 73 N 0.29 4.26 -0.20 -7.13 0.04 -1.25 -4.05 135.00 126.96 2p5w s PRO 73 Ca 0.32 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 2p5w s PRO 73 Cb 0.04 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 2p5w s PRO 73 CO -0.15 -0.09 -0.05 -1.17 0.04 0.00 0.00 177.00 175.58 2p5w s LEU 74 N -2.29 2.89 -0.24 -3.56 2.96 -0.23 -3.67 118.68 114.54 2p5w s LEU 74 Ca 0.54 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 2p5w s LEU 74 Cb -0.27 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2p5w s LEU 74 CO 0.34 0.02 0.06 -0.60 -1.32 0.00 0.00 176.35 174.84 2p5w s ARG 75 N 1.26 3.66 -0.31 1.98 6.06 0.11 -0.65 118.95 131.06 2p5w s ARG 75 Ca 0.03 -0.48 -0.22 0.00 -2.50 0.00 0.00 55.73 52.57 2p5w s ARG 75 Cb -0.14 -3.30 -0.00 0.00 0.06 0.00 0.00 34.95 31.57 2p5w s ARG 75 CO -0.02 -0.16 0.71 -0.51 -2.50 0.00 0.00 175.30 172.82 2p5w s LEU 76 N 1.52 4.13 0.00 -0.88 1.02 0.66 -1.51 118.68 123.62 2p5w s LEU 76 Ca 0.06 0.51 -0.25 0.00 0.02 0.00 0.00 54.13 54.47 2p5w s LEU 76 Cb -0.15 -2.94 -0.19 0.00 0.02 0.00 0.00 46.19 42.93 2p5w s LEU 76 CO 0.03 -0.56 1.37 -0.07 0.02 0.00 0.00 176.35 177.14 2p5w h LEU 77 N 9.34 -0.01 -6.44 1.79 -0.00 -1.81 -2.20 115.31 115.97 2p5w h LEU 77 Ca -0.25 -0.37 -0.28 0.00 -0.00 0.00 0.00 57.88 56.97 2p5w h LEU 77 Cb 1.11 0.00 -0.32 0.00 -0.00 0.00 0.00 40.66 41.45 2p5w h LEU 77 CO 0.85 0.36 -0.60 -0.55 -0.00 0.00 0.00 178.44 178.50 2p5w s SER 78 N -5.56 1.26 0.22 -0.43 0.15 -1.26 -4.17 113.70 103.91 2p5w s SER 78 Ca -0.15 -0.64 -0.32 0.00 0.70 0.00 0.00 55.95 55.54 2p5w s SER 78 Cb 0.03 0.70 -0.14 0.00 -1.71 0.00 0.00 66.02 64.90 2p5w s SER 78 CO 0.67 -0.38 1.41 0.00 1.20 0.00 0.00 173.24 176.14 2p5w n ALA 79 N 5.32 0.95 -2.68 5.45 0.00 0.74 -4.66 120.51 125.63 2p5w n ALA 79 Ca -0.01 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 2p5w n ALA 79 Cb 0.47 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.54 2p5w n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p5w s ALA 80 N 0.06 1.22 0.51 0.00 0.00 -1.26 -0.05 121.76 122.24 2p5w s ALA 80 Ca 0.70 -1.00 0.32 0.00 0.00 0.00 0.00 51.96 51.99 2p5w s ALA 80 Cb -0.68 -0.12 1.45 0.00 0.00 0.00 0.00 23.12 23.77 2p5w s ALA 80 CO 0.48 0.19 1.80 -1.35 0.00 0.00 0.00 175.76 176.89 2p5w h PRO 81 N 4.36 0.08 0.00 0.00 0.11 -1.96 0.15 132.00 134.74 2p5w h PRO 81 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2p5w h PRO 81 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2p5w h PRO 81 CO 0.41 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.12 2p5w n SER 82 N -4.29 0.00 -0.74 -2.05 3.41 -1.26 -2.40 113.62 106.29 2p5w n SER 82 Ca 0.25 0.31 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2p5w n SER 82 Cb 1.14 -0.40 0.33 0.00 -0.26 0.00 0.00 64.21 65.01 2p5w n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p5w n GLN 83 N -1.40 1.99 -1.97 4.33 6.02 0.52 -4.85 117.38 122.01 2p5w n GLN 83 Ca 0.05 -1.47 -0.43 0.00 -0.01 0.00 0.00 57.00 55.15 2p5w n GLN 83 Cb 0.15 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 2p5w n GLN 83 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2p5w s THR 84 N -1.82 3.50 0.06 5.09 2.01 -1.01 -4.82 115.64 118.65 2p5w s THR 84 Ca 0.34 0.57 -0.24 0.00 0.31 0.00 0.00 61.69 62.68 2p5w s THR 84 Cb 0.20 -3.49 0.08 0.00 0.01 0.00 0.00 72.50 69.30 2p5w s THR 84 CO 0.30 -0.18 1.10 -0.24 -0.69 0.00 0.00 174.62 174.90 2p5w n SER 85 N 8.56 -1.34 -4.37 3.53 2.88 -0.78 -4.93 113.62 117.17 2p5w n SER 85 Ca 0.20 -1.50 -0.36 0.00 -1.33 0.00 0.00 58.87 55.88 2p5w n SER 85 Cb 0.44 2.13 -0.13 0.00 -0.75 0.00 0.00 64.21 65.90 2p5w n SER 85 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2p5w s VAL 86 N -2.05 3.81 -0.14 2.46 1.01 -1.06 -2.15 120.40 122.28 2p5w s VAL 86 Ca 0.25 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 2p5w s VAL 86 Cb -0.02 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2p5w s VAL 86 CO 0.02 0.38 0.18 -0.31 0.00 0.00 0.00 175.10 175.37 2p5w s TYR 87 N 1.54 3.53 -0.06 5.22 1.51 0.10 -1.08 117.35 128.12 2p5w s TYR 87 Ca 0.06 0.52 0.03 0.00 -1.01 0.00 0.00 57.07 56.66 2p5w s TYR 87 Cb -0.15 -2.09 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 2p5w s TYR 87 CO -0.00 0.52 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.77 2p5w s PHE 88 N -0.40 1.49 -0.12 2.71 0.08 -0.14 -1.04 117.98 120.57 2p5w s PHE 88 Ca 0.14 -0.51 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 2p5w s PHE 88 Cb -0.12 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 2p5w s PHE 88 CO 0.03 -0.24 0.11 0.00 -0.10 0.00 0.00 175.22 175.02 2p5w s ALA 90 N -0.85 0.07 0.24 0.00 0.00 -0.47 -0.81 121.76 119.94 2p5w s ALA 90 Ca 0.14 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.19 2p5w s ALA 90 Cb -0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2p5w s ALA 90 CO 0.03 -0.02 0.02 -1.54 0.00 0.00 0.00 175.76 174.25 2p5w s SER 91 N 0.30 1.66 0.08 0.00 1.04 -0.75 -0.66 113.70 115.37 2p5w s SER 91 Ca -0.02 -1.26 -0.27 0.00 0.48 0.00 0.00 55.95 54.87 2p5w s SER 91 Cb -0.04 0.05 0.09 0.00 0.10 0.00 0.00 66.02 66.22 2p5w s SER 91 CO -0.01 -0.58 1.09 -0.94 0.98 0.00 0.00 173.24 173.79 2p5w s SER 92 N -3.31 -0.13 0.41 7.02 1.04 -0.63 -0.29 113.70 117.81 2p5w s SER 92 Ca 0.31 -0.29 -0.18 0.00 0.48 0.00 0.00 55.95 56.26 2p5w s SER 92 Cb 0.06 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 66.44 2p5w s SER 92 CO 0.10 -0.66 0.89 -0.31 0.98 0.00 0.00 173.24 174.24 2p5w s TYR 93 N -2.94 3.35 -0.86 5.02 2.02 -1.26 -2.00 117.35 120.70 2p5w s TYR 93 Ca 0.13 1.45 -0.00 0.00 -0.37 0.00 0.00 57.07 58.28 2p5w s TYR 93 Cb 0.01 -2.73 0.34 0.00 -0.40 0.00 0.00 41.96 39.18 2p5w s TYR 93 CO -0.00 -0.09 1.78 1.28 -1.57 0.00 0.00 175.55 176.95 2p5w n LEU 94 N -0.73 6.96 0.00 -1.29 4.77 -1.26 -4.29 117.00 121.17 2p5w n LEU 94 Ca 0.06 -5.15 0.00 0.00 -0.03 0.00 0.00 56.01 50.89 2p5w n LEU 94 Cb 0.54 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2p5w n LEU 94 CO 0.40 1.96 0.00 0.61 -1.33 0.00 0.00 177.39 179.03 2p5w n GLY 95 N -0.33 -0.55 7.00 -0.72 0.00 -1.26 -5.06 105.19 104.26 2p5w n GLY 95 Ca 0.48 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2p5w n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2p5w n ASN 96 N 0.00 0.00 0.01 1.61 4.05 -1.26 -1.45 115.26 118.22 2p5w n ASN 96 Ca 0.00 0.00 0.11 0.00 0.45 0.00 0.00 54.58 55.14 2p5w n ASN 96 Cb 0.00 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 2p5w n ASN 96 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 2p5w n THR 97 N 0.00 0.07 -1.04 -0.44 -2.24 -1.26 -4.97 114.28 104.40 2p5w n THR 97 Ca 0.00 -0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 2p5w n THR 97 Cb 0.00 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 2p5w n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p5w n GLY 98 N 1.42 0.42 3.69 3.38 0.00 -0.53 -4.95 105.19 108.62 2p5w n GLY 98 Ca 0.03 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 2p5w n GLY 98 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2p5w n GLU 99 N -1.52 2.24 -3.26 1.61 2.13 -1.26 -4.77 120.64 115.81 2p5w n GLU 99 Ca -0.01 0.80 -0.39 0.00 0.66 0.00 0.00 57.16 58.22 2p5w n GLU 99 Cb 0.23 -2.54 -0.06 0.00 0.27 0.00 0.00 31.44 29.34 2p5w n GLU 99 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2p5w s LEU 100 N 0.41 4.46 -0.25 4.31 2.96 -1.26 -4.37 118.68 124.94 2p5w s LEU 100 Ca 0.72 1.17 0.02 0.00 -0.22 0.00 0.00 54.13 55.82 2p5w s LEU 100 Cb -0.63 -2.87 0.05 0.00 0.50 0.00 0.00 46.19 43.24 2p5w s LEU 100 CO 0.43 0.18 -0.11 -0.36 -1.32 0.00 0.00 176.35 175.17 2p5w s PHE 101 N -0.58 3.20 0.13 5.38 0.40 0.60 -4.96 117.98 122.15 2p5w s PHE 101 Ca 0.29 -2.18 -0.19 0.00 -0.60 0.00 0.00 56.93 54.25 2p5w s PHE 101 Cb -0.18 -1.95 -0.07 0.00 0.51 0.00 0.00 43.02 41.33 2p5w s PHE 101 CO 0.17 -0.86 0.62 -0.06 0.70 0.00 0.00 175.22 175.79 2p5w s PHE 102 N 1.14 3.74 0.97 0.36 0.40 -1.26 -1.82 117.98 121.51 2p5w s PHE 102 Ca -0.07 1.28 -0.15 0.00 -0.60 0.00 0.00 56.93 57.39 2p5w s PHE 102 Cb -0.19 -2.52 0.18 0.00 0.51 0.00 0.00 43.02 41.01 2p5w s PHE 102 CO -0.06 0.49 1.24 0.20 0.70 0.00 0.00 175.22 177.79 2p5w s GLY 103 N -1.37 1.69 0.35 4.36 0.00 0.01 -4.76 107.32 107.60 2p5w s GLY 103 Ca 0.35 -0.97 0.27 0.00 0.00 0.00 0.00 44.72 44.36 2p5w s GLY 103 CO 0.20 -0.26 1.79 0.83 0.00 0.00 0.00 173.10 175.66 2p5w h GLU 104 N -1.67 0.00 0.00 2.90 5.08 -1.89 -3.45 114.58 115.54 2p5w h GLU 104 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2p5w h GLU 104 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2p5w h GLU 104 CO 0.46 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 2p5w n GLY 105 N 0.43 2.45 2.88 -3.84 0.00 -1.26 -5.05 105.19 100.80 2p5w n GLY 105 Ca 0.03 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 2p5w n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2p5w s SER 106 N 0.00 2.32 -0.37 1.61 0.01 -0.21 -4.58 113.70 112.48 2p5w s SER 106 Ca 0.00 -0.40 -0.13 0.00 1.31 0.00 0.00 55.95 56.73 2p5w s SER 106 Cb 0.00 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2p5w s SER 106 CO 0.00 -0.15 0.25 -0.13 0.41 0.00 0.00 173.24 173.62 2p5w s ARG 107 N 1.72 3.19 -0.10 12.44 0.52 0.24 -0.72 118.95 136.23 2p5w s ARG 107 Ca 0.04 -0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2p5w s ARG 107 Cb -0.13 -3.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.47 2p5w s ARG 107 CO -0.08 -0.59 -0.04 -0.51 0.02 0.00 0.00 175.30 174.10 2p5w s LEU 108 N 1.67 3.30 -0.13 2.53 2.01 -0.91 -1.28 118.68 125.88 2p5w s LEU 108 Ca 0.05 -0.01 0.00 0.00 0.01 0.00 0.00 54.13 54.18 2p5w s LEU 108 Cb -0.18 -1.75 0.02 0.00 0.01 0.00 0.00 46.19 44.29 2p5w s LEU 108 CO 0.09 0.31 -0.11 -0.89 1.01 0.00 0.00 176.35 176.76 2p5w s THR 109 N -0.48 1.30 -0.22 5.49 2.01 -0.88 -1.87 115.64 120.99 2p5w s THR 109 Ca 0.08 -0.47 -0.08 0.00 0.31 0.00 0.00 61.69 61.52 2p5w s THR 109 Cb -0.12 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2p5w s THR 109 CO 0.02 0.41 0.09 -0.69 -0.69 0.00 0.00 174.62 173.76 2p5w s VAL 110 N 1.51 4.76 0.03 3.82 1.01 -1.26 -1.24 120.40 129.03 2p5w s VAL 110 Ca 0.03 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.05 2p5w s VAL 110 Cb -0.13 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2p5w s VAL 110 CO -0.08 0.38 -0.21 -0.76 0.00 0.00 0.00 175.10 174.43 2p5w s LEU 111 N 1.02 2.14 0.07 3.92 1.02 0.13 -4.33 118.68 122.64 2p5w s LEU 111 Ca 0.05 -0.50 -0.15 0.00 0.02 0.00 0.00 54.13 53.55 2p5w s LEU 111 Cb -0.14 -1.03 -0.18 0.00 0.02 0.00 0.00 46.19 44.86 2p5w s LEU 111 CO 0.03 0.19 1.25 -0.08 0.02 0.00 0.00 176.35 177.77 2p5w h GLU 112 N 5.04 0.65 -4.46 1.70 4.57 -1.94 -0.63 114.58 119.50 2p5w h GLU 112 Ca -0.42 -0.55 -0.62 0.00 -1.18 0.00 0.00 59.36 56.59 2p5w h GLU 112 Cb 1.15 0.12 -0.38 0.00 -0.16 0.00 0.00 28.75 29.49 2p5w h GLU 112 CO 0.45 1.17 -0.79 0.34 -1.18 0.00 0.00 179.01 178.99 2p5w s ASP 113 N -6.91 3.75 0.00 1.04 2.15 -1.26 -4.62 116.67 110.82 2p5w s ASP 113 Ca -0.11 -1.10 0.11 0.00 0.43 0.00 0.00 52.55 51.87 2p5w s ASP 113 Cb 0.07 -1.22 0.48 0.00 -0.30 0.00 0.00 42.92 41.94 2p5w s ASP 113 CO 0.87 -0.20 1.31 0.18 -0.17 0.00 0.00 175.17 177.16 2p5w n LEU 114 N 4.66 0.00 0.16 -1.34 4.77 -1.26 -2.19 117.00 121.79 2p5w n LEU 114 Ca -0.13 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 2p5w n LEU 114 Cb 0.45 -0.44 0.55 0.00 -2.33 0.00 0.00 43.42 41.64 2p5w n LEU 114 CO 0.19 -0.28 0.88 0.11 -1.33 0.00 0.00 177.39 176.95 2p5w h LYS 115 N 0.00 0.00 -0.00 3.23 1.57 -1.97 -2.50 116.57 116.90 2p5w h LYS 115 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2p5w h LYS 115 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2p5w h LYS 115 CO 0.00 0.00 -0.00 0.09 -0.57 0.00 0.00 179.45 178.97 2p5w n ASN 116 N -2.37 0.02 -4.69 0.86 3.02 -0.93 -4.80 115.26 106.38 2p5w n ASN 116 Ca 0.01 -0.57 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 2p5w n ASN 116 Cb 0.20 -0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 2p5w n ASN 116 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2p5w s VAL 117 N -2.29 4.94 0.01 2.41 1.01 -0.95 -4.67 120.40 120.86 2p5w s VAL 117 Ca 0.38 1.63 0.03 0.00 0.00 0.00 0.00 61.98 64.02 2p5w s VAL 117 Cb 0.21 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2p5w s VAL 117 CO 0.42 0.14 -0.08 -0.36 0.00 0.00 0.00 175.10 175.21 2p5w s PHE 118 N 1.43 0.73 0.62 5.22 0.08 -0.14 -4.76 117.98 121.16 2p5w s PHE 118 Ca 0.40 -0.21 -0.06 0.00 0.12 0.00 0.00 56.93 57.19 2p5w s PHE 118 Cb -0.18 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.84 2p5w s PHE 118 CO 0.17 -0.02 0.93 -1.25 -0.10 0.00 0.00 175.22 174.95 2p5w s PRO 119 N -0.50 2.67 0.54 0.24 0.04 -1.26 -1.39 135.00 135.35 2p5w s PRO 119 Ca 0.01 -0.13 -0.12 0.00 0.04 0.00 0.00 61.00 60.80 2p5w s PRO 119 Cb -0.05 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 2p5w s PRO 119 CO 0.00 -0.87 0.95 -1.25 0.04 0.00 0.00 177.00 175.87 2p5w s PRO 120 N -5.06 3.72 -0.13 0.56 0.04 -1.26 -4.15 135.00 128.73 2p5w s PRO 120 Ca 0.56 0.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.26 2p5w s PRO 120 Cb -0.11 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2p5w s PRO 120 CO 0.45 -0.36 0.02 -1.21 0.04 0.00 0.00 177.00 175.93 2p5w s GLU 121 N -4.62 3.40 -0.03 4.56 2.02 -0.46 -4.93 118.70 118.64 2p5w s GLU 121 Ca 0.55 -0.39 0.06 0.00 0.02 0.00 0.00 54.97 55.21 2p5w s GLU 121 Cb -0.10 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 2p5w s GLU 121 CO 0.43 0.51 -0.22 0.08 0.02 0.00 0.00 175.26 176.09 2p5w s VAL 122 N -0.35 1.75 -0.00 2.63 1.01 -1.26 -1.60 120.40 122.58 2p5w s VAL 122 Ca 0.07 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2p5w s VAL 122 Cb -0.12 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 2p5w s VAL 122 CO 0.02 0.49 0.03 0.00 0.00 0.00 0.00 175.10 175.64 2p5w s ALA 123 N -0.34 -0.06 -0.16 5.51 0.00 -0.88 -4.59 121.76 121.25 2p5w s ALA 123 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 2p5w s ALA 123 Cb -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2p5w s ALA 123 CO 0.01 -0.08 -0.07 0.08 0.00 0.00 0.00 175.76 175.70 2p5w s VAL 124 N -0.55 3.49 -0.20 0.00 1.01 -1.26 -0.96 120.40 121.93 2p5w s VAL 124 Ca -0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2p5w s VAL 124 Cb -0.04 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2p5w s VAL 124 CO -0.00 0.49 0.05 -0.36 0.00 0.00 0.00 175.10 175.28 2p5w s PHE 125 N 0.59 3.17 0.45 5.22 0.40 0.62 -4.98 117.98 123.45 2p5w s PHE 125 Ca -0.05 -0.11 -0.21 0.00 -0.60 0.00 0.00 56.93 55.97 2p5w s PHE 125 Cb -0.15 -2.11 -0.10 0.00 0.51 0.00 0.00 43.02 41.17 2p5w s PHE 125 CO 0.03 -0.01 0.97 -1.21 0.70 0.00 0.00 175.22 175.70 2p5w s GLU 126 N 0.72 4.12 0.31 0.44 2.02 -1.26 -1.77 118.70 123.28 2p5w s GLU 126 Ca 0.03 1.17 -0.28 0.00 0.02 0.00 0.00 54.97 55.91 2p5w s GLU 126 Cb -0.13 -2.16 -0.13 0.00 0.10 0.00 0.00 34.13 31.80 2p5w s GLU 126 CO 0.02 -0.13 1.13 -2.30 0.02 0.00 0.00 175.26 174.00 2p5w n PRO 127 N -0.74 1.66 -2.44 0.39 -0.02 -1.23 -4.93 135.00 127.70 2p5w n PRO 127 Ca 0.08 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 2p5w n PRO 127 Cb 0.54 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 2p5w n PRO 127 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2p5w s SER 128 N -0.44 7.18 0.44 2.55 0.15 -1.26 -4.93 113.70 117.38 2p5w s SER 128 Ca 0.58 2.20 0.19 0.00 0.70 0.00 0.00 55.95 59.61 2p5w s SER 128 Cb -0.65 -2.61 1.03 0.00 -1.71 0.00 0.00 66.02 62.08 2p5w s SER 128 CO 0.61 -0.28 1.94 1.05 1.20 0.00 0.00 173.24 177.76 2p5w h GLU 129 N 4.89 0.00 -0.18 5.44 4.11 -1.99 -1.48 114.58 125.38 2p5w h GLU 129 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 2p5w h GLU 129 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2p5w h GLU 129 CO 0.72 0.24 -0.41 0.00 0.07 0.00 0.00 179.01 179.63 2p5w h ALA 130 N 1.76 0.97 0.14 1.06 0.00 -1.98 -0.14 119.26 121.07 2p5w h ALA 130 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2p5w h ALA 130 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2p5w h ALA 130 CO 0.03 0.62 -0.07 1.49 0.00 0.00 0.00 179.25 181.33 2p5w h GLU 131 N 0.34 -0.18 -0.69 0.00 4.81 -1.64 -1.60 114.58 115.62 2p5w h GLU 131 Ca 0.03 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2p5w h GLU 131 Cb 0.87 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 2p5w h GLU 131 CO 0.07 0.14 0.40 0.82 -0.73 0.00 0.00 179.01 179.71 2p5w h ILE 132 N -0.50 1.00 0.00 2.32 2.04 -1.26 0.21 117.51 121.32 2p5w h ILE 132 Ca -0.02 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 2p5w h ILE 132 Cb 0.40 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2p5w h ILE 132 CO 0.03 0.14 -0.45 0.77 0.00 0.00 0.00 178.15 178.63 2p5w h SER 133 N 0.75 0.00 0.28 1.72 4.64 -1.00 -0.73 113.55 119.20 2p5w h SER 133 Ca 0.30 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.29 2p5w h SER 133 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2p5w h SER 133 CO -0.16 0.45 -1.83 0.45 -0.87 0.00 0.00 176.83 174.87 2p5w h HIS 134 N 0.00 0.37 0.00 4.77 3.86 -0.59 -3.42 115.15 120.14 2p5w h HIS 134 Ca -0.00 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2p5w h HIS 134 Cb 0.89 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2p5w h HIS 134 CO 0.00 1.51 -0.44 0.25 0.86 0.00 0.00 177.93 180.11 2p5w n THR 135 N -3.37 0.00 -2.11 2.45 -2.24 0.69 -5.00 114.28 104.69 2p5w n THR 135 Ca -0.25 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.00 2p5w n THR 135 Cb 1.05 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 70.11 2p5w n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2p5w n GLN 136 N -1.23 -1.51 -4.27 -0.78 6.02 -0.28 -4.99 117.38 110.33 2p5w n GLN 136 Ca 0.00 1.04 -0.17 0.00 -0.01 0.00 0.00 57.00 57.87 2p5w n GLN 136 Cb 0.08 -5.55 -0.10 0.00 1.02 0.00 0.00 30.24 25.69 2p5w n GLN 136 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2p5w s LYS 137 N -4.55 1.11 -0.05 -1.09 1.02 -1.26 -1.41 119.74 113.51 2p5w s LYS 137 Ca 0.00 -1.40 -0.02 0.00 0.02 0.00 0.00 55.97 54.57 2p5w s LYS 137 Cb 0.00 -0.85 0.03 0.00 -0.52 0.00 0.00 37.83 36.49 2p5w s LYS 137 CO 0.00 0.14 0.03 0.00 -0.92 0.00 0.00 175.35 174.60 2p5w s ALA 138 N -2.79 0.44 -0.24 5.17 0.00 0.15 -3.49 121.76 121.01 2p5w s ALA 138 Ca 0.15 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 2p5w s ALA 138 Cb -0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 2p5w s ALA 138 CO 0.03 -0.47 0.04 0.99 0.00 0.00 0.00 175.76 176.35 2p5w s THR 139 N 2.06 4.10 -0.03 0.00 2.01 -1.26 -0.97 115.64 121.55 2p5w s THR 139 Ca 0.05 -0.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 2p5w s THR 139 Cb -0.12 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 2p5w s THR 139 CO -0.04 0.37 0.28 -0.76 -0.69 0.00 0.00 174.62 173.78 2p5w s LEU 140 N 1.51 4.41 -0.10 4.42 1.02 0.16 -3.47 118.68 126.63 2p5w s LEU 140 Ca 0.06 0.69 0.03 0.00 0.02 0.00 0.00 54.13 54.92 2p5w s LEU 140 Cb -0.15 -2.48 -0.01 0.00 0.02 0.00 0.00 46.19 43.58 2p5w s LEU 140 CO 0.02 0.32 -0.20 -0.69 0.02 0.00 0.00 176.35 175.82 2p5w s VAL 141 N -1.15 2.46 -0.10 -1.59 1.01 -0.73 -1.03 120.40 119.27 2p5w s VAL 141 Ca 0.23 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2p5w s VAL 141 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2p5w s VAL 141 CO 0.11 0.55 -0.01 0.00 0.00 0.00 0.00 175.10 175.76 2p5w s LEU 143 N -0.60 0.76 -0.27 0.00 2.96 -0.13 -1.28 118.68 120.12 2p5w s LEU 143 Ca 0.10 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 2p5w s LEU 143 Cb -0.12 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 2p5w s LEU 143 CO 0.02 -0.17 0.08 0.00 -1.32 0.00 0.00 176.35 174.96 2p5w s ALA 144 N 1.86 3.16 0.20 5.97 0.00 0.22 -2.07 121.76 131.10 2p5w s ALA 144 Ca 0.04 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 50.86 2p5w s ALA 144 Cb -0.12 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 2p5w s ALA 144 CO -0.06 -0.62 -0.15 0.95 0.00 0.00 0.00 175.76 175.89 2p5w s THR 145 N 1.60 1.73 -1.55 0.00 -4.23 -0.63 -0.04 115.64 112.52 2p5w s THR 145 Ca 0.06 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 2p5w s THR 145 Cb -0.16 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.67 2p5w s THR 145 CO 0.04 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 2p5w n GLY 146 N -0.31 1.49 3.88 3.99 0.00 0.20 -1.36 105.19 113.07 2p5w n GLY 146 Ca -0.09 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2p5w n GLY 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2p5w s PHE 147 N -2.55 3.45 -0.24 1.61 -0.71 -1.03 -4.56 117.98 113.95 2p5w s PHE 147 Ca 0.00 0.79 -0.14 0.00 -1.04 0.00 0.00 56.93 56.54 2p5w s PHE 147 Cb 0.00 -2.19 0.07 0.00 -1.21 0.00 0.00 43.02 39.70 2p5w s PHE 147 CO 0.00 0.33 0.60 -0.47 -1.34 0.00 0.00 175.22 174.33 2p5w s TYR 148 N -1.75 -0.92 1.00 3.49 5.04 -0.48 0.81 117.35 124.54 2p5w s TYR 148 Ca 0.45 1.86 -0.17 0.00 -2.44 0.00 0.00 57.07 56.78 2p5w s TYR 148 Cb -0.12 0.52 0.22 0.00 0.35 0.00 0.00 41.96 42.93 2p5w s TYR 148 CO 0.22 -0.47 1.31 -1.25 -1.34 0.00 0.00 175.55 174.02 2p5w s PRO 149 N 1.61 0.32 -0.99 4.97 0.04 -1.26 -0.97 135.00 138.72 2p5w s PRO 149 Ca -0.10 -0.43 -0.07 0.00 0.04 0.00 0.00 61.00 60.45 2p5w s PRO 149 Cb -0.06 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 2p5w s PRO 149 CO -0.18 -2.63 2.40 -3.47 0.04 0.00 0.00 177.00 173.17 2p5w n ASP 150 N -3.92 5.78 -3.92 6.66 2.03 -1.26 -4.72 116.55 117.19 2p5w n ASP 150 Ca 0.16 -2.37 -0.29 0.00 0.52 0.00 0.00 54.79 52.81 2p5w n ASP 150 Cb 0.59 -1.20 -0.13 0.00 -0.72 0.00 0.00 41.12 39.66 2p5w n ASP 150 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2p5w s HIS 151 N 2.86 3.41 0.07 -0.67 3.76 -1.26 -5.07 115.29 118.39 2p5w s HIS 151 Ca 0.48 -3.27 0.01 0.00 -0.15 0.00 0.00 55.06 52.13 2p5w s HIS 151 Cb 0.14 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 2p5w s HIS 151 CO -0.04 -0.63 -0.06 0.14 -0.85 0.00 0.00 174.74 173.30 2p5w s VAL 152 N -0.96 0.54 -0.18 -0.90 -7.23 -1.26 -1.71 120.40 108.70 2p5w s VAL 152 Ca 0.21 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2p5w s VAL 152 Cb -0.14 -1.32 0.06 0.00 0.56 0.00 0.00 36.38 35.54 2p5w s VAL 152 CO -0.09 -0.76 0.04 -1.61 -0.31 0.00 0.00 175.10 172.37 2p5w s GLU 153 N -3.18 0.53 -0.11 4.82 2.02 -0.23 -4.97 118.70 117.59 2p5w s GLU 153 Ca 0.04 -0.32 -0.11 0.00 0.02 0.00 0.00 54.97 54.60 2p5w s GLU 153 Cb 0.01 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 2p5w s GLU 153 CO -0.04 -0.63 0.25 -1.17 0.02 0.00 0.00 175.26 173.69 2p5w s LEU 154 N 1.92 4.35 0.04 1.80 0.20 -1.26 -1.25 118.68 124.49 2p5w s LEU 154 Ca -0.00 0.58 -0.05 0.00 0.69 0.00 0.00 54.13 55.35 2p5w s LEU 154 Cb -0.17 -2.29 -0.02 0.00 -0.43 0.00 0.00 46.19 43.29 2p5w s LEU 154 CO -0.08 0.27 0.08 -0.94 -0.29 0.00 0.00 176.35 175.39 2p5w s SER 155 N -0.46 0.23 -0.10 3.68 1.04 -0.24 -5.01 113.70 112.84 2p5w s SER 155 Ca 0.17 -0.63 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 2p5w s SER 155 Cb -0.13 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 2p5w s SER 155 CO 0.06 -0.54 -0.08 0.26 0.98 0.00 0.00 173.24 173.92 2p5w s TRP 156 N -2.91 2.90 -0.18 5.02 0.52 -1.26 -0.92 118.94 122.10 2p5w s TRP 156 Ca -0.02 -0.21 -0.00 0.00 0.02 0.00 0.00 56.10 55.89 2p5w s TRP 156 Cb 0.01 -1.78 0.05 0.00 -1.15 0.00 0.00 33.47 30.59 2p5w s TRP 156 CO -0.06 0.12 -0.05 -1.58 0.02 0.00 0.00 176.95 175.40 2p5w s TRP 157 N -0.29 1.82 -0.22 -1.98 0.52 0.56 -1.42 118.94 117.92 2p5w s TRP 157 Ca 0.04 -1.21 -0.05 0.00 0.02 0.00 0.00 56.10 54.89 2p5w s TRP 157 Cb -0.13 -1.36 -0.02 0.00 -1.15 0.00 0.00 33.47 30.81 2p5w s TRP 157 CO 0.03 -0.65 0.00 0.08 0.02 0.00 0.00 176.95 176.43 2p5w s VAL 158 N 1.59 3.81 -1.44 4.03 1.01 -0.24 -0.29 120.40 128.87 2p5w s VAL 158 Ca -0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 2p5w s VAL 158 Cb -0.16 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.53 2p5w s VAL 158 CO -0.08 0.40 0.97 0.59 0.00 0.00 0.00 175.10 176.99 2p5w n ASN 159 N 4.64 -4.31 0.00 3.32 3.02 0.23 -2.28 115.26 119.89 2p5w n ASN 159 Ca -0.17 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 2p5w n ASN 159 Cb 0.51 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 2p5w n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p5w n GLY 160 N -1.71 0.35 3.20 7.41 0.00 -1.26 -5.02 105.19 108.16 2p5w n GLY 160 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2p5w n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p5w s LYS 161 N -0.72 2.05 0.20 1.61 1.02 -0.97 -5.09 119.74 117.84 2p5w s LYS 161 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2p5w s LYS 161 Cb 0.00 -1.80 -0.08 0.00 -0.52 0.00 0.00 37.83 35.43 2p5w s LYS 161 CO 0.00 0.34 1.19 -2.00 -0.92 0.00 0.00 175.35 173.96 2p5w s GLU 162 N -0.15 4.50 0.16 1.68 2.12 -1.26 -1.08 118.70 124.67 2p5w s GLU 162 Ca -0.01 1.87 0.11 0.00 0.36 0.00 0.00 54.97 57.30 2p5w s GLU 162 Cb -0.12 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 2p5w s GLU 162 CO 0.02 -0.06 -0.23 0.14 -0.54 0.00 0.00 175.26 174.59 2p5w s VAL 163 N -0.17 2.45 0.00 3.70 -7.23 -0.51 -4.92 120.40 113.72 2p5w s VAL 163 Ca 0.52 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2p5w s VAL 163 Cb -0.33 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2p5w s VAL 163 CO 0.37 -0.02 0.00 1.41 -0.31 0.00 0.00 175.10 176.56 2p5w n HIS 164 N 0.54 0.00 -2.26 2.82 -0.00 -1.26 -4.49 115.22 110.57 2p5w n HIS 164 Ca -0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.17 2p5w n HIS 164 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.50 2p5w n HIS 164 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2p5w s SER 165 N -2.44 6.97 -0.09 0.41 0.15 -1.26 -2.60 113.70 114.84 2p5w s SER 165 Ca 0.00 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.14 2p5w s SER 165 Cb 0.00 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2p5w s SER 165 CO 0.00 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2p5w n GLY 166 N 1.23 0.45 3.51 9.45 0.00 -1.26 -4.86 105.19 113.71 2p5w n GLY 166 Ca 0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2p5w n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p5w s VAL 167 N -1.83 3.03 -0.17 1.61 1.01 -1.07 -0.92 120.40 122.05 2p5w s VAL 167 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 2p5w s VAL 167 Cb 0.00 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 34.09 2p5w s VAL 167 CO 0.00 0.22 0.42 0.00 0.00 0.00 0.00 175.10 175.74 2p5w s THR 169 N 1.23 1.78 0.24 0.00 2.01 -1.26 -0.18 115.64 119.46 2p5w s THR 169 Ca -0.08 -1.17 -0.30 0.00 0.31 0.00 0.00 61.69 60.45 2p5w s THR 169 Cb -0.07 -1.53 -0.14 0.00 0.01 0.00 0.00 72.50 70.77 2p5w s THR 169 CO -0.11 0.31 1.17 0.47 -0.69 0.00 0.00 174.62 175.77 2p5w n ASP 170 N 2.02 1.72 0.29 3.53 8.00 -0.68 -4.84 116.55 126.59 2p5w n ASP 170 Ca -0.17 1.16 0.17 0.00 0.71 0.00 0.00 54.79 56.67 2p5w n ASP 170 Cb 0.53 -1.31 0.86 0.00 -0.02 0.00 0.00 41.12 41.18 2p5w n ASP 170 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2p5w h PRO 171 N 3.00 0.00 -2.66 -0.24 0.13 -1.99 -3.44 132.00 126.80 2p5w h PRO 171 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.60 2p5w h PRO 171 Cb 1.32 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.24 2p5w h PRO 171 CO 0.67 0.05 -0.14 -0.65 -0.23 0.00 0.00 178.00 177.70 2p5w s GLN 172 N -4.01 0.68 0.88 0.86 -0.21 -1.26 -5.17 119.66 111.43 2p5w s GLN 172 Ca -0.02 0.26 -0.12 0.00 0.02 0.00 0.00 55.36 55.50 2p5w s GLN 172 Cb 0.12 0.32 0.12 0.00 1.00 0.00 0.00 33.01 34.57 2p5w s GLN 172 CO 0.52 -0.16 1.12 -1.25 -2.12 0.00 0.00 175.29 173.40 2p5w s PRO 173 N -0.61 1.36 -0.08 2.91 0.04 -1.26 -4.98 135.00 132.39 2p5w s PRO 173 Ca -0.07 0.47 0.01 0.00 0.04 0.00 0.00 61.00 61.45 2p5w s PRO 173 Cb -0.03 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2p5w s PRO 173 CO 0.04 -2.08 -0.10 -0.48 0.04 0.00 0.00 177.00 174.41 2p5w s LEU 174 N -6.02 2.97 -0.01 -3.56 0.05 -0.42 -4.92 118.68 106.76 2p5w s LEU 174 Ca 0.63 -0.13 -0.30 0.00 0.05 0.00 0.00 54.13 54.38 2p5w s LEU 174 Cb -0.15 -1.64 -0.05 0.00 -2.05 0.00 0.00 46.19 42.30 2p5w s LEU 174 CO 0.54 0.32 1.36 -0.54 -0.55 0.00 0.00 176.35 177.48 2p5w s LYS 175 N -0.55 4.30 0.31 1.48 1.02 -1.26 -1.84 119.74 123.19 2p5w s LYS 175 Ca 0.08 1.90 0.01 0.00 0.02 0.00 0.00 55.97 57.97 2p5w s LYS 175 Cb -0.12 -3.57 0.50 0.00 -0.52 0.00 0.00 37.83 34.12 2p5w s LYS 175 CO 0.02 -0.55 1.89 0.93 -0.92 0.00 0.00 175.35 176.71 2p5w h GLU 176 N 7.76 0.78 -2.94 1.68 5.08 -1.60 -3.34 114.58 122.00 2p5w h GLU 176 Ca -0.37 -0.13 -0.61 0.00 -1.00 0.00 0.00 59.36 57.25 2p5w h GLU 176 Cb 1.17 -0.13 -0.40 0.00 0.50 0.00 0.00 28.75 29.89 2p5w h GLU 176 CO 0.90 0.66 -0.74 -0.65 -1.00 0.00 0.00 179.01 178.18 2p5w s GLN 177 N -5.31 1.44 0.31 2.33 -1.52 -1.26 -5.04 119.66 110.60 2p5w s GLN 177 Ca -0.09 -2.23 0.07 0.00 -1.95 0.00 0.00 55.36 51.16 2p5w s GLN 177 Cb 0.16 -2.42 0.84 0.00 -0.22 0.00 0.00 33.01 31.37 2p5w s GLN 177 CO 0.78 -1.20 1.69 -1.35 -0.25 0.00 0.00 175.29 174.96 2p5w h PRO 178 N 6.41 0.40 0.00 2.91 0.11 -1.97 -1.24 132.00 138.62 2p5w h PRO 178 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2p5w h PRO 178 Cb 0.90 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2p5w h PRO 178 CO 0.51 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 2p5w n ALA 179 N -2.43 2.18 -2.71 -0.75 0.00 -1.26 -4.78 120.51 110.76 2p5w n ALA 179 Ca 0.25 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 2p5w n ALA 179 Cb 0.75 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 2p5w n ALA 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p5w s LEU 180 N -3.86 4.30 0.35 0.00 1.43 -0.47 -5.04 118.68 115.39 2p5w s LEU 180 Ca 0.11 1.11 -0.25 0.00 -1.03 0.00 0.00 54.13 54.07 2p5w s LEU 180 Cb 0.14 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 43.24 2p5w s LEU 180 CO 0.52 -0.12 0.98 0.20 0.23 0.00 0.00 176.35 178.16 2p5w s ASN 181 N 0.81 7.15 -1.05 2.29 0.02 -1.26 -2.93 114.94 119.97 2p5w s ASN 181 Ca 0.35 1.88 0.00 0.00 -1.02 0.00 0.00 52.86 54.08 2p5w s ASN 181 Cb -0.17 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.52 2p5w s ASN 181 CO 0.16 -0.21 0.00 0.47 0.02 0.00 0.00 177.10 177.55 2p5w n ASP 182 N 0.28 -4.01 -4.77 -1.22 10.43 -1.26 -4.98 116.55 111.02 2p5w n ASP 182 Ca 0.03 0.17 -0.40 0.00 2.57 0.00 0.00 54.79 57.16 2p5w n ASP 182 Cb 0.50 -2.73 -0.02 0.00 1.84 0.00 0.00 41.12 40.72 2p5w n ASP 182 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2p5w s SER 183 N -2.76 6.71 0.73 -2.24 0.15 -1.15 -5.00 113.70 110.14 2p5w s SER 183 Ca 0.00 2.58 -0.11 0.00 0.70 0.00 0.00 55.95 59.12 2p5w s SER 183 Cb 0.00 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2p5w s SER 183 CO 0.00 -0.56 1.07 -0.13 1.20 0.00 0.00 173.24 174.82 2p5w s ARG 184 N -1.91 2.65 0.37 5.44 0.52 -1.26 -4.83 118.95 119.94 2p5w s ARG 184 Ca 0.51 0.83 0.08 0.00 -0.52 0.00 0.00 55.73 56.63 2p5w s ARG 184 Cb -0.37 -1.97 -0.06 0.00 0.52 0.00 0.00 34.95 33.08 2p5w s ARG 184 CO 0.49 -1.27 0.08 0.71 0.02 0.00 0.00 175.30 175.33 2p5w s TYR 185 N -3.09 2.58 0.02 -0.53 2.02 0.24 -1.53 117.35 117.06 2p5w s TYR 185 Ca 0.59 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 2p5w s TYR 185 Cb -0.14 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 2p5w s TYR 185 CO 0.55 0.36 -0.04 0.00 -1.57 0.00 0.00 175.55 174.85 2p5w s ALA 186 N -2.56 0.20 -0.12 3.71 0.00 -0.77 -0.63 121.76 121.59 2p5w s ALA 186 Ca 0.37 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 2p5w s ALA 186 Cb 0.02 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.29 2p5w s ALA 186 CO 0.21 -0.11 0.29 -1.17 0.00 0.00 0.00 175.76 174.98 2p5w s LEU 187 N -1.32 0.50 0.27 0.00 2.96 0.95 -1.30 118.68 120.74 2p5w s LEU 187 Ca -0.13 0.62 0.11 0.00 -0.22 0.00 0.00 54.13 54.51 2p5w s LEU 187 Cb -0.09 0.95 -0.05 0.00 0.50 0.00 0.00 46.19 47.51 2p5w s LEU 187 CO -0.01 -0.15 -0.10 -0.94 -1.32 0.00 0.00 176.35 173.84 2p5w s SER 188 N 0.85 4.07 0.05 3.68 1.04 -1.26 -0.61 113.70 121.52 2p5w s SER 188 Ca -0.06 -0.84 -0.14 0.00 0.48 0.00 0.00 55.95 55.40 2p5w s SER 188 Cb -0.07 -0.58 0.02 0.00 0.10 0.00 0.00 66.02 65.50 2p5w s SER 188 CO -0.06 0.02 0.30 -0.55 0.98 0.00 0.00 173.24 173.93 2p5w s SER 189 N -3.59 -0.11 0.02 7.02 0.15 -0.40 -1.68 113.70 115.09 2p5w s SER 189 Ca 0.31 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.78 2p5w s SER 189 Cb -0.06 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.60 2p5w s SER 189 CO 0.17 -0.63 -0.14 -0.13 1.20 0.00 0.00 173.24 173.72 2p5w s ARG 190 N -2.68 1.00 -0.19 5.44 3.00 0.74 -0.95 118.95 125.33 2p5w s ARG 190 Ca -0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 55.73 55.06 2p5w s ARG 190 Cb -0.00 -0.99 0.05 0.00 0.00 0.00 0.00 34.95 34.00 2p5w s ARG 190 CO -0.04 0.26 -0.04 -1.17 0.00 0.00 0.00 175.30 174.30 2p5w s LEU 191 N -0.75 1.80 -0.16 2.53 2.96 -0.20 -1.98 118.68 122.87 2p5w s LEU 191 Ca 0.03 -0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 53.10 2p5w s LEU 191 Cb -0.07 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 2p5w s LEU 191 CO 0.00 -0.21 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.18 2p5w s ARG 192 N 1.60 3.62 0.29 1.98 3.52 -0.10 -0.67 118.95 129.20 2p5w s ARG 192 Ca -0.01 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.09 2p5w s ARG 192 Cb -0.16 -2.92 -0.06 0.00 -1.56 0.00 0.00 34.95 30.24 2p5w s ARG 192 CO -0.07 0.18 0.04 0.14 -0.81 0.00 0.00 175.30 174.77 2p5w s VAL 193 N 0.53 1.14 0.53 7.11 -7.23 -0.14 -4.61 120.40 117.73 2p5w s VAL 193 Ca -0.03 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 57.92 2p5w s VAL 193 Cb -0.14 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.10 2p5w s VAL 193 CO 0.03 -0.11 1.11 -0.94 -0.31 0.00 0.00 175.10 174.88 2p5w s SER 194 N -3.42 5.84 0.36 4.85 1.04 -1.26 0.32 113.70 121.43 2p5w s SER 194 Ca 0.34 2.13 0.07 0.00 0.48 0.00 0.00 55.95 58.98 2p5w s SER 194 Cb 0.07 -2.58 0.78 0.00 0.10 0.00 0.00 66.02 64.40 2p5w s SER 194 CO 0.13 -1.14 1.93 0.00 0.98 0.00 0.00 173.24 175.15 2p5w h ALA 195 N 1.27 1.77 -0.40 5.32 0.00 -1.48 -1.74 119.26 124.00 2p5w h ALA 195 Ca -0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2p5w h ALA 195 Cb 1.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2p5w h ALA 195 CO 0.57 0.07 -0.02 1.79 0.00 0.00 0.00 179.25 181.66 2p5w h THR 196 N 0.72 1.22 -0.08 0.00 1.35 -1.92 0.08 112.91 114.28 2p5w h THR 196 Ca 0.36 -0.93 -0.23 0.00 -0.55 0.00 0.00 66.41 65.06 2p5w h THR 196 Cb 0.44 0.95 0.01 0.00 -1.73 0.00 0.00 68.15 67.82 2p5w h THR 196 CO -0.13 0.32 -0.86 0.15 -0.25 0.00 0.00 175.52 174.75 2p5w h PHE 197 N 0.61 1.02 -0.41 4.73 3.57 -1.72 -3.20 116.94 121.53 2p5w h PHE 197 Ca 0.12 -0.50 -0.08 0.00 3.53 0.00 0.00 57.97 61.04 2p5w h PHE 197 Cb 0.41 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2p5w h PHE 197 CO 0.02 1.33 -0.08 2.35 -2.23 0.00 0.00 178.31 179.70 2p5w h TRP 198 N 0.42 0.78 0.00 0.41 2.91 -1.11 -3.03 115.95 116.33 2p5w h TRP 198 Ca -0.09 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 59.81 2p5w h TRP 198 Cb 1.51 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 2p5w h TRP 198 CO 0.10 0.77 0.00 1.04 -1.03 0.00 0.00 178.44 179.32 2p5w n GLN 199 N -4.19 0.10 -2.89 2.65 6.02 -0.01 -1.51 117.38 117.55 2p5w n GLN 199 Ca 0.02 0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.75 2p5w n GLN 199 Cb 0.34 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.05 2p5w n GLN 199 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2p5w s ASP 200 N -2.82 6.45 0.00 1.08 -1.08 -1.15 -2.61 116.67 116.54 2p5w s ASP 200 Ca 0.12 -0.02 0.06 0.00 -0.52 0.00 0.00 52.55 52.19 2p5w s ASP 200 Cb 0.11 -2.42 0.33 0.00 -1.46 0.00 0.00 42.92 39.48 2p5w s ASP 200 CO 0.29 -1.00 0.96 -0.81 0.52 0.00 0.00 175.17 175.13 2p5w n PRO 201 N 6.97 0.13 0.14 4.34 -0.04 -1.26 -1.74 135.00 143.54 2p5w n PRO 201 Ca 0.04 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2p5w n PRO 201 Cb 0.48 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.56 2p5w n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p5w h ARG 202 N 0.00 0.00 -6.32 0.54 3.08 -1.92 -3.40 114.38 106.36 2p5w h ARG 202 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2p5w h ARG 202 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2p5w h ARG 202 CO 0.00 0.00 0.62 -0.80 -1.07 0.00 0.00 179.97 178.72 2p5w s ASN 203 N -5.45 7.13 -0.19 7.04 0.01 -0.71 -4.95 114.94 117.82 2p5w s ASN 203 Ca 0.04 1.74 -0.02 0.00 -0.71 0.00 0.00 52.86 53.92 2p5w s ASN 203 Cb 0.09 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.18 2p5w s ASN 203 CO 0.72 -0.51 -0.10 -2.28 -1.51 0.00 0.00 177.10 173.42 2p5w s HIS 204 N 1.94 2.88 -0.22 2.20 5.65 -1.26 -0.37 115.29 126.10 2p5w s HIS 204 Ca 0.54 -1.05 -0.04 0.00 0.25 0.00 0.00 55.06 54.76 2p5w s HIS 204 Cb -0.23 -2.00 -0.01 0.00 -1.18 0.00 0.00 32.58 29.16 2p5w s HIS 204 CO 0.22 -0.54 -0.05 -0.06 -0.65 0.00 0.00 174.74 173.67 2p5w s PHE 205 N 1.18 2.96 -0.06 3.88 0.08 0.61 -0.60 117.98 126.03 2p5w s PHE 205 Ca 0.02 -0.99 0.05 0.00 0.12 0.00 0.00 56.93 56.12 2p5w s PHE 205 Cb -0.14 -2.10 -0.00 0.00 -0.57 0.00 0.00 43.02 40.20 2p5w s PHE 205 CO -0.04 -0.57 -0.20 0.50 -0.10 0.00 0.00 175.22 174.82 2p5w s ARG 206 N 1.47 2.20 -0.25 0.44 3.52 0.61 -0.65 118.95 126.28 2p5w s ARG 206 Ca 0.05 -0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 54.87 2p5w s ARG 206 Cb -0.14 -1.83 -0.02 0.00 -1.56 0.00 0.00 34.95 31.39 2p5w s ARG 206 CO -0.04 0.25 0.06 0.00 -0.81 0.00 0.00 175.30 174.76 2p5w s GLN 208 N 1.60 2.54 -0.23 0.00 -2.07 -0.10 -1.96 119.66 119.43 2p5w s GLN 208 Ca 0.06 -0.78 0.02 0.00 -1.82 0.00 0.00 55.36 52.84 2p5w s GLN 208 Cb -0.15 -2.30 0.05 0.00 -1.09 0.00 0.00 33.01 29.52 2p5w s GLN 208 CO 0.03 0.52 -0.14 0.08 -1.32 0.00 0.00 175.29 174.46 2p5w s VAL 209 N -0.47 2.14 -0.29 3.63 1.01 0.87 -1.08 120.40 126.21 2p5w s VAL 209 Ca 0.06 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.38 2p5w s VAL 209 Cb -0.12 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2p5w s VAL 209 CO 0.01 0.16 0.84 -1.58 0.00 0.00 0.00 175.10 174.54 2p5w s GLN 210 N 1.16 4.04 -0.07 2.72 2.00 -0.38 -0.45 119.66 128.69 2p5w s GLN 210 Ca -0.04 0.76 -0.02 0.00 -2.00 0.00 0.00 55.36 54.06 2p5w s GLN 210 Cb -0.18 -3.71 -0.04 0.00 0.80 0.00 0.00 33.01 29.89 2p5w s GLN 210 CO -0.08 -0.67 0.03 0.12 -0.50 0.00 0.00 175.29 174.20 2p5w s PHE 211 N 3.03 3.23 -0.25 1.67 5.36 0.08 -1.06 117.98 130.03 2p5w s PHE 211 Ca 0.35 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 2p5w s PHE 211 Cb -0.14 -1.78 0.04 0.00 -0.34 0.00 0.00 43.02 40.80 2p5w s PHE 211 CO 0.11 0.52 -0.09 0.71 -1.46 0.00 0.00 175.22 175.02 2p5w s TYR 212 N -0.98 3.15 0.00 10.12 1.51 -0.70 -1.85 117.35 128.60 2p5w s TYR 212 Ca 0.16 -1.93 0.00 0.00 -1.01 0.00 0.00 57.07 54.29 2p5w s TYR 212 Cb -0.12 -2.00 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 2p5w s TYR 212 CO 0.05 -0.81 0.00 0.41 -1.11 0.00 0.00 175.55 174.09 2p5w n GLY 213 N 4.56 3.87 3.76 0.71 0.00 -1.26 -4.69 105.19 112.15 2p5w n GLY 213 Ca -0.15 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 2p5w n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p5w s LEU 214 N 0.00 3.72 0.67 0.99 1.43 -0.81 -4.36 118.68 120.31 2p5w s LEU 214 Ca 0.00 2.32 -0.03 0.00 -1.03 0.00 0.00 54.13 55.39 2p5w s LEU 214 Cb 0.00 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.73 2p5w s LEU 214 CO 0.00 -1.42 0.94 -0.94 0.23 0.00 0.00 176.35 175.16 2p5w s SER 215 N -1.62 4.76 0.36 2.29 1.04 -1.26 -3.24 113.70 116.03 2p5w s SER 215 Ca 0.75 0.06 0.09 0.00 0.48 0.00 0.00 55.95 57.34 2p5w s SER 215 Cb -0.28 -0.69 0.84 0.00 0.10 0.00 0.00 66.02 65.98 2p5w s SER 215 CO 0.31 -1.57 1.88 -0.08 0.98 0.00 0.00 173.24 174.77 2p5w h GLU 216 N -0.40 0.65 -0.02 4.02 4.81 -2.01 -2.90 114.58 118.73 2p5w h GLU 216 Ca -0.41 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2p5w h GLU 216 Cb 1.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2p5w h GLU 216 CO 0.51 0.43 -0.07 0.09 -0.73 0.00 0.00 179.01 179.24 2p5w n ASN 217 N -4.54 2.02 -4.77 1.04 3.02 -1.26 -4.96 115.26 105.81 2p5w n ASN 217 Ca 0.16 -1.61 -0.39 0.00 -0.03 0.00 0.00 54.58 52.72 2p5w n ASN 217 Cb 0.46 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 2p5w n ASN 217 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2p5w s ASP 218 N -2.09 6.63 0.46 6.41 1.01 -1.10 -4.99 116.67 123.00 2p5w s ASP 218 Ca 0.31 2.39 -0.24 0.00 0.71 0.00 0.00 52.55 55.73 2p5w s ASP 218 Cb 0.20 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.44 2p5w s ASP 218 CO 0.36 -0.60 1.25 -1.61 0.21 0.00 0.00 175.17 174.78 2p5w s GLU 219 N -2.14 3.71 -0.30 8.23 8.01 -1.26 -4.96 118.70 129.99 2p5w s GLU 219 Ca 0.55 1.99 -0.00 0.00 0.01 0.00 0.00 54.97 57.52 2p5w s GLU 219 Cb -0.32 -2.50 0.19 0.00 -4.31 0.00 0.00 34.13 27.19 2p5w s GLU 219 CO 0.41 -0.66 0.59 -0.46 0.01 0.00 0.00 175.26 175.15 2p5w s TRP 220 N -1.40 -1.62 -0.07 1.61 -0.11 -1.26 -5.02 118.94 111.08 2p5w s TRP 220 Ca 0.63 1.62 0.10 0.00 1.22 0.00 0.00 56.10 59.67 2p5w s TRP 220 Cb -0.34 0.52 0.16 0.00 -1.50 0.00 0.00 33.47 32.32 2p5w s TRP 220 CO 0.42 -0.90 1.08 0.25 -4.62 0.00 0.00 176.95 173.18 2p5w n THR 221 N 5.43 0.93 -1.81 5.86 -2.24 -1.26 -5.01 114.28 116.18 2p5w n THR 221 Ca -0.00 -1.19 -0.30 0.00 -2.27 0.00 0.00 64.05 60.29 2p5w n THR 221 Cb 0.51 0.16 0.05 0.00 -2.10 0.00 0.00 70.33 68.95 2p5w n THR 221 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2p5w s GLN 222 N -1.42 2.89 0.18 -0.78 -1.52 -1.26 -4.99 119.66 112.76 2p5w s GLN 222 Ca 0.17 0.58 -0.10 0.00 -1.95 0.00 0.00 55.36 54.06 2p5w s GLN 222 Cb 0.16 -2.01 0.09 0.00 -0.22 0.00 0.00 33.01 31.02 2p5w s GLN 222 CO 0.00 -1.04 1.71 0.22 -0.25 0.00 0.00 175.29 175.93 2p5w h ASP 223 N -0.66 0.96 -4.38 5.90 3.58 -2.05 -3.44 116.42 116.32 2p5w h ASP 223 Ca -0.45 -0.22 -0.50 0.00 0.42 0.00 0.00 57.03 56.28 2p5w h ASP 223 Cb 1.24 -0.25 0.08 0.00 1.72 0.00 0.00 39.33 42.12 2p5w h ASP 223 CO 0.62 0.93 0.39 0.00 -2.88 0.00 0.00 179.24 178.30 2p5w s ARG 224 N -5.37 2.98 0.31 0.28 1.70 -1.26 -4.99 118.95 112.59 2p5w s ARG 224 Ca -0.12 0.68 -0.29 0.00 -0.47 0.00 0.00 55.73 55.52 2p5w s ARG 224 Cb 0.14 -2.02 -0.12 0.00 -0.57 0.00 0.00 34.95 32.38 2p5w s ARG 224 CO 0.83 -1.00 1.46 0.00 -1.08 0.00 0.00 175.30 175.50 2p5w n ALA 225 N -3.02 1.87 -1.67 7.88 0.00 -1.26 -4.88 120.51 119.42 2p5w n ALA 225 Ca 0.07 0.37 -0.48 0.00 0.00 0.00 0.00 53.44 53.40 2p5w n ALA 225 Cb 0.55 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 2p5w n ALA 225 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2p5w n LYS 226 N 1.43 2.09 -1.34 0.00 4.81 -1.26 -4.83 118.16 119.06 2p5w n LYS 226 Ca 0.07 0.76 -0.39 0.00 -0.87 0.00 0.00 58.31 57.89 2p5w n LYS 226 Cb 0.36 -2.56 -0.02 0.00 0.02 0.00 0.00 35.03 32.82 2p5w n LYS 226 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2p5w n PRO 227 N 5.06 2.53 -2.05 1.64 -0.04 -1.26 -4.94 135.00 135.94 2p5w n PRO 227 Ca 0.20 -2.14 -0.28 0.00 -0.04 0.00 0.00 63.50 61.24 2p5w n PRO 227 Cb 0.28 -2.96 0.07 0.00 -0.04 0.00 0.00 33.50 30.85 2p5w n PRO 227 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2p5w s VAL 228 N 3.52 2.53 0.11 0.52 -7.23 -1.26 -1.93 120.40 116.66 2p5w s VAL 228 Ca 0.53 -0.01 -0.32 0.00 -1.81 0.00 0.00 61.98 60.37 2p5w s VAL 228 Cb 0.14 -3.13 -0.11 0.00 0.56 0.00 0.00 36.38 33.84 2p5w s VAL 228 CO -0.02 -0.16 1.79 0.41 -0.31 0.00 0.00 175.10 176.81 2p5w n THR 229 N -3.05 0.30 -3.59 5.32 -1.04 -1.20 -4.41 114.28 106.61 2p5w n THR 229 Ca 0.07 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 61.95 2p5w n THR 229 Cb 0.60 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 67.10 2p5w n THR 229 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p5w s GLN 230 N 2.47 1.18 -0.20 -2.82 -2.07 -0.77 -4.91 119.66 112.53 2p5w s GLN 230 Ca 0.82 -0.53 -0.09 0.00 -1.82 0.00 0.00 55.36 53.74 2p5w s GLN 230 Cb -0.54 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 31.81 2p5w s GLN 230 CO 0.39 -0.53 0.11 0.42 -1.32 0.00 0.00 175.29 174.35 2p5w s ILE 231 N -3.45 5.10 -0.08 3.63 1.01 -1.26 -0.74 121.20 125.42 2p5w s ILE 231 Ca 0.06 0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.84 2p5w s ILE 231 Cb -0.02 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 2p5w s ILE 231 CO -0.05 0.43 -0.23 -0.69 0.00 0.00 0.00 174.94 174.40 2p5w s VAL 232 N 0.54 2.24 0.11 2.92 1.01 0.41 -4.96 120.40 122.67 2p5w s VAL 232 Ca 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2p5w s VAL 232 Cb -0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2p5w s VAL 232 CO 0.00 0.56 0.09 -0.94 0.00 0.00 0.00 175.10 174.82 2p5w s SER 233 N -0.02 0.28 0.03 3.32 1.04 -1.26 -0.09 113.70 117.01 2p5w s SER 233 Ca -0.07 -1.01 -0.00 0.00 0.48 0.00 0.00 55.95 55.35 2p5w s SER 233 Cb -0.15 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 2p5w s SER 233 CO 0.05 -0.72 -0.03 0.00 0.98 0.00 0.00 173.24 173.51 2p5w s ALA 234 N -3.97 0.29 0.13 5.32 0.00 -0.83 -4.85 121.76 117.84 2p5w s ALA 234 Ca 0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 2p5w s ALA 234 Cb 0.06 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 2p5w s ALA 234 CO -0.04 -0.21 0.15 -1.83 0.00 0.00 0.00 175.76 173.83 2p5w s GLU 235 N -2.22 0.95 0.01 0.00 -1.05 -1.26 -1.00 118.70 114.13 2p5w s GLU 235 Ca -0.08 -1.24 -0.12 0.00 -0.15 0.00 0.00 54.97 53.38 2p5w s GLU 235 Cb -0.05 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.96 2p5w s GLU 235 CO -0.03 -0.30 0.25 0.00 0.95 0.00 0.00 175.26 176.13 2p5w s ALA 236 N -3.97 -0.60 0.09 -0.84 0.00 0.18 -4.86 121.76 111.76 2p5w s ALA 236 Ca 0.16 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.29 2p5w s ALA 236 Cb 0.06 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2p5w s ALA 236 CO -0.02 -0.29 -0.21 -1.58 0.00 0.00 0.00 175.76 173.66 2p5w s TRP 237 N -1.74 2.47 0.99 0.00 0.52 -1.26 -0.28 118.94 119.63 2p5w s TRP 237 Ca -0.11 -0.30 -0.12 0.00 0.02 0.00 0.00 56.10 55.59 2p5w s TRP 237 Cb -0.04 -1.37 0.15 0.00 -1.15 0.00 0.00 33.47 31.06 2p5w s TRP 237 CO 0.01 0.31 0.88 0.41 0.02 0.00 0.00 176.95 178.58 2p5w n GLY 238 N 1.16 -1.17 3.14 0.98 0.00 0.50 -4.98 105.19 104.81 2p5w n GLY 238 Ca -0.16 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 2p5w n GLY 238 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2p5w s ARG 239 N -4.29 0.27 0.19 1.61 1.70 -0.57 -4.10 118.95 113.75 2p5w s ARG 239 Ca 0.64 0.73 -0.13 0.00 -0.47 0.00 0.00 55.73 56.50 2p5w s ARG 239 Cb -0.22 -0.01 0.12 0.00 -0.57 0.00 0.00 34.95 34.27 2p5w s ARG 239 CO 0.62 -0.20 1.83 0.00 -1.08 0.00 0.00 175.30 176.47 2p5w h ALA 240 N 7.53 0.74 0.00 7.88 0.00 -1.80 -3.40 119.26 130.21 2p5w h ALA 240 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2p5w h ALA 240 Cb 1.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2p5w h ALA 240 CO 0.27 0.09 0.00 -3.47 0.00 0.00 0.00 179.25 176.13