#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pw5 s HIS 8 N 0.00 0.66 0.04 -1.77 -3.43 -1.26 -5.10 115.29 104.43 2pw5 s HIS 8 Ca 0.00 -0.46 -0.20 0.00 -0.80 0.00 0.00 55.06 53.60 2pw5 s HIS 8 Cb 0.00 -0.40 -0.06 0.00 -1.43 0.00 0.00 32.58 30.69 2pw5 s HIS 8 CO 0.00 -0.07 0.58 0.15 -2.00 0.00 0.00 174.74 173.40 2pw5 s LYS 9 N -1.44 4.26 0.04 -0.38 1.02 -1.26 -4.40 119.74 117.58 2pw5 s LYS 9 Ca -0.09 0.74 0.07 0.00 0.02 0.00 0.00 55.97 56.72 2pw5 s LYS 9 Cb -0.09 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2pw5 s LYS 9 CO 0.00 0.52 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.53 2pw5 s GLU 10 N -0.70 1.39 0.59 1.68 2.02 -0.28 -4.93 118.70 118.48 2pw5 s GLU 10 Ca 0.30 -0.94 -0.17 0.00 0.02 0.00 0.00 54.97 54.18 2pw5 s GLU 10 Cb -0.19 -1.50 -0.03 0.00 0.10 0.00 0.00 34.13 32.51 2pw5 s GLU 10 CO 0.18 0.38 1.10 -1.25 0.02 0.00 0.00 175.26 175.70 2pw5 s PRO 11 N -1.18 3.16 0.18 0.39 0.04 -1.26 -0.35 135.00 135.98 2pw5 s PRO 11 Ca 0.07 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 2pw5 s PRO 11 Cb -0.09 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2pw5 s PRO 11 CO 0.02 -0.97 0.40 0.00 0.04 0.00 0.00 177.00 176.49 2pw5 s ALA 12 N -2.12 -0.46 -0.05 8.56 0.00 -0.94 -4.53 121.76 122.22 2pw5 s ALA 12 Ca 0.69 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.12 2pw5 s ALA 12 Cb -0.21 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2pw5 s ALA 12 CO 0.34 -0.72 -0.15 0.99 0.00 0.00 0.00 175.76 176.21 2pw5 s THR 13 N -3.92 1.30 0.26 0.00 2.01 -0.61 -4.17 115.64 110.51 2pw5 s THR 13 Ca 0.13 -0.62 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 2pw5 s THR 13 Cb 0.01 -1.14 -0.11 0.00 0.01 0.00 0.00 72.50 71.27 2pw5 s THR 13 CO -0.01 0.38 1.61 -0.22 -0.69 0.00 0.00 174.62 175.69 2pw5 s LEU 14 N 0.25 4.36 -0.06 4.42 0.20 -1.26 -0.09 118.68 126.49 2pw5 s LEU 14 Ca -0.08 2.88 -0.07 0.00 0.69 0.00 0.00 54.13 57.55 2pw5 s LEU 14 Cb -0.13 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 41.97 2pw5 s LEU 14 CO 0.03 -0.90 -0.16 -0.38 -0.29 0.00 0.00 176.35 174.65 2pw5 n ILE 15 N 2.79 1.12 -3.64 6.68 5.41 -0.36 -4.81 119.36 126.56 2pw5 n ILE 15 Ca 0.10 0.13 -0.09 0.00 1.00 0.00 0.00 62.75 63.89 2pw5 n ILE 15 Cb 0.37 -1.84 -0.07 0.00 -0.71 0.00 0.00 39.64 37.39 2pw5 n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2pw5 s LYS 16 N -2.35 0.73 0.10 0.38 2.20 -0.79 -5.01 119.74 115.01 2pw5 s LYS 16 Ca -0.15 1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 56.32 2pw5 s LYS 16 Cb 0.04 0.20 -0.06 0.00 -1.51 0.00 0.00 37.83 36.50 2pw5 s LYS 16 CO 0.20 -0.14 1.02 0.00 -0.36 0.00 0.00 175.35 176.08 2pw5 s ALA 17 N 1.32 3.27 -0.19 3.13 0.00 -1.26 -0.40 121.76 127.64 2pw5 s ALA 17 Ca -0.07 0.65 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 2pw5 s ALA 17 Cb -0.05 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2pw5 s ALA 17 CO -0.15 -0.15 -0.21 -0.89 0.00 0.00 0.00 175.76 174.36 2pw5 n ILE 18 N 3.04 1.03 -3.75 0.00 5.41 -1.06 -4.92 119.36 119.11 2pw5 n ILE 18 Ca 0.04 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.48 2pw5 n ILE 18 Cb 0.49 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 2pw5 n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2pw5 n ASP 19 N -3.55 -0.27 -0.20 4.38 3.85 -0.96 -4.99 116.55 114.81 2pw5 n ASP 19 Ca -0.35 -1.09 -0.02 0.00 -0.71 0.00 0.00 54.79 52.61 2pw5 n ASP 19 Cb 0.79 0.43 0.04 0.00 -1.35 0.00 0.00 41.12 41.03 2pw5 n ASP 19 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2pw5 h GLY 20 N 0.38 0.27 -1.80 6.12 0.00 -1.84 -2.96 103.07 103.24 2pw5 h GLY 20 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2pw5 h GLY 20 CO 0.06 -0.23 0.00 2.09 0.00 0.00 0.00 176.54 178.46 2pw5 n ASP 21 N -5.43 2.86 -3.86 0.19 3.85 -1.26 -4.92 116.55 107.99 2pw5 n ASP 21 Ca 0.06 -1.91 -0.12 0.00 -0.71 0.00 0.00 54.79 52.11 2pw5 n ASP 21 Cb 0.33 -0.16 -0.14 0.00 -1.35 0.00 0.00 41.12 39.81 2pw5 n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2pw5 s THR 22 N -1.68 0.00 -0.04 2.12 2.01 -1.12 -1.30 115.64 115.63 2pw5 s THR 22 Ca 0.35 -0.02 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 2pw5 s THR 22 Cb 0.21 -0.07 0.02 0.00 0.01 0.00 0.00 72.50 72.67 2pw5 s THR 22 CO 0.30 -0.01 0.23 0.54 -0.69 0.00 0.00 174.62 174.99 2pw5 s VAL 23 N -0.01 0.04 -0.22 3.82 0.11 -0.71 -2.26 120.40 121.17 2pw5 s VAL 23 Ca -0.00 -0.33 -0.09 0.00 -2.93 0.00 0.00 61.98 58.62 2pw5 s VAL 23 Cb -0.00 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 2pw5 s VAL 23 CO 0.00 -0.18 0.13 -0.75 -3.33 0.00 0.00 175.10 170.96 2pw5 s LYS 24 N -0.71 4.05 0.11 1.54 2.20 0.47 -0.20 119.74 127.20 2pw5 s LYS 24 Ca -0.08 -0.29 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 2pw5 s LYS 24 Cb -0.04 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2pw5 s LYS 24 CO 0.02 0.15 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.54 2pw5 s LEU 25 N 0.78 2.44 -0.29 5.43 1.02 -0.18 -1.22 118.68 126.66 2pw5 s LEU 25 Ca 0.07 -0.87 -0.15 0.00 0.02 0.00 0.00 54.13 53.20 2pw5 s LEU 25 Cb -0.13 -0.32 -0.03 0.00 0.02 0.00 0.00 46.19 45.73 2pw5 s LEU 25 CO 0.02 -0.28 0.39 -0.32 0.02 0.00 0.00 176.35 176.17 2pw5 s MET 26 N -3.05 3.90 -0.11 1.70 -2.45 0.87 -0.49 119.30 119.67 2pw5 s MET 26 Ca 0.08 -0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.48 2pw5 s MET 26 Cb -0.01 -3.70 0.02 0.00 1.25 0.00 0.00 34.83 32.39 2pw5 s MET 26 CO 0.00 -0.36 -0.12 -0.47 1.05 0.00 0.00 175.02 175.12 2pw5 s TYR 27 N 2.09 1.73 -1.47 4.11 5.04 -0.24 -1.58 117.35 127.03 2pw5 s TYR 27 Ca 0.15 -0.83 -0.02 0.00 -2.44 0.00 0.00 57.07 53.93 2pw5 s TYR 27 Cb -0.16 -1.31 0.02 0.00 0.35 0.00 0.00 41.96 40.86 2pw5 s TYR 27 CO 0.11 -0.48 0.34 1.63 -1.34 0.00 0.00 175.55 175.82 2pw5 n LYS 28 N 4.45 -2.66 0.00 4.97 5.02 -1.26 -2.10 118.16 126.57 2pw5 n LYS 28 Ca -0.17 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2pw5 n LYS 28 Cb 0.51 -4.34 0.00 0.00 -0.02 0.00 0.00 35.03 31.18 2pw5 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pw5 n GLY 29 N -2.08 3.20 3.30 0.72 0.00 -1.26 -5.04 105.19 104.04 2pw5 n GLY 29 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 2pw5 n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pw5 s GLN 30 N -0.44 1.19 0.33 1.61 0.00 -0.89 -5.08 119.66 116.38 2pw5 s GLN 30 Ca 0.00 -1.35 -0.28 0.00 -0.00 0.00 0.00 55.36 53.72 2pw5 s GLN 30 Cb 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 33.01 31.71 2pw5 s GLN 30 CO 0.00 0.24 1.23 -1.25 0.00 0.00 0.00 175.29 175.51 2pw5 s PRO 31 N -2.75 4.39 -0.08 9.60 0.04 -1.26 -1.08 135.00 143.86 2pw5 s PRO 31 Ca 0.13 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 2pw5 s PRO 31 Cb -0.05 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.47 2pw5 s PRO 31 CO 0.05 -0.10 0.37 1.41 0.04 0.00 0.00 177.00 178.78 2pw5 s MET 32 N -1.77 0.58 -0.18 4.56 1.75 0.35 -4.91 119.30 119.69 2pw5 s MET 32 Ca 0.49 0.21 -0.13 0.00 -1.25 0.00 0.00 55.69 55.00 2pw5 s MET 32 Cb -0.36 0.27 -0.05 0.00 2.84 0.00 0.00 34.83 37.53 2pw5 s MET 32 CO 0.48 -0.13 0.27 0.99 -0.65 0.00 0.00 175.02 175.98 2pw5 s THR 33 N -0.54 5.32 -0.02 10.11 2.01 -1.26 -1.01 115.64 130.25 2pw5 s THR 33 Ca -0.07 0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.45 2pw5 s THR 33 Cb -0.04 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2pw5 s THR 33 CO 0.03 0.38 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.87 2pw5 s PHE 34 N 0.57 2.80 -0.21 4.92 0.40 0.72 -0.82 117.98 126.36 2pw5 s PHE 34 Ca 0.15 -0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.35 2pw5 s PHE 34 Cb -0.13 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 2pw5 s PHE 34 CO 0.03 0.30 -0.04 0.50 0.70 0.00 0.00 175.22 176.71 2pw5 s ARG 35 N -1.14 3.42 0.13 0.44 6.06 0.10 -1.74 118.95 126.23 2pw5 s ARG 35 Ca 0.14 -0.61 -0.31 0.00 -2.50 0.00 0.00 55.73 52.45 2pw5 s ARG 35 Cb -0.11 -2.98 -0.10 0.00 0.06 0.00 0.00 34.95 31.82 2pw5 s ARG 35 CO 0.04 -0.11 1.76 -0.51 -2.50 0.00 0.00 175.30 173.98 2pw5 s LEU 36 N 1.26 4.39 0.48 -0.88 1.02 -0.42 -2.93 118.68 121.61 2pw5 s LEU 36 Ca 0.03 2.73 -0.23 0.00 0.02 0.00 0.00 54.13 56.69 2pw5 s LEU 36 Cb -0.14 -3.57 -0.07 0.00 0.02 0.00 0.00 46.19 42.43 2pw5 s LEU 36 CO -0.01 -0.97 1.22 -0.76 0.02 0.00 0.00 176.35 175.85 2pw5 s LEU 37 N 2.32 3.96 -1.54 1.79 1.43 -0.33 -3.93 118.68 122.38 2pw5 s LEU 37 Ca 0.78 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 56.31 2pw5 s LEU 37 Cb -0.46 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.51 2pw5 s LEU 37 CO 0.35 -1.10 0.00 0.18 0.23 0.00 0.00 176.35 176.00 2pw5 n LEU 38 N -0.65 -0.88 -4.14 1.79 4.77 -1.26 -4.93 117.00 111.69 2pw5 n LEU 38 Ca 0.08 0.36 -0.19 0.00 -0.03 0.00 0.00 56.01 56.23 2pw5 n LEU 38 Cb 0.47 -2.49 -0.13 0.00 -2.33 0.00 0.00 43.42 38.94 2pw5 n LEU 38 CO 0.49 -0.93 -0.46 0.68 -1.33 0.00 0.00 177.39 175.84 2pw5 s VAL 39 N -2.20 1.06 -0.19 4.08 -7.23 -1.25 -0.87 120.40 113.79 2pw5 s VAL 39 Ca 0.00 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2pw5 s VAL 39 Cb 0.00 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.99 2pw5 s VAL 39 CO 0.00 -0.09 -0.08 -1.81 -0.31 0.00 0.00 175.10 172.81 2pw5 s ASP 40 N -1.34 3.27 0.20 4.85 1.01 -0.53 -4.71 116.67 119.41 2pw5 s ASP 40 Ca -0.00 -0.85 0.06 0.00 0.71 0.00 0.00 52.55 52.46 2pw5 s ASP 40 Cb -0.09 -1.12 -0.04 0.00 1.01 0.00 0.00 42.92 42.69 2pw5 s ASP 40 CO 0.02 -0.17 0.13 0.42 0.21 0.00 0.00 175.17 175.78 2pw5 s THR 41 N 1.48 4.34 0.40 -1.27 -4.23 -1.26 -1.66 115.64 113.43 2pw5 s THR 41 Ca -0.01 -1.25 -0.26 0.00 -1.18 0.00 0.00 61.69 58.98 2pw5 s THR 41 Cb -0.16 -3.25 -0.09 0.00 1.34 0.00 0.00 72.50 70.33 2pw5 s THR 41 CO -0.08 -0.19 1.33 -2.84 -0.54 0.00 0.00 174.62 172.30 2pw5 s PRO 42 N -3.33 4.01 0.29 3.99 0.02 -1.26 -4.92 135.00 133.80 2pw5 s PRO 42 Ca 0.31 2.23 -0.08 0.00 0.02 0.00 0.00 61.00 63.48 2pw5 s PRO 42 Cb -0.09 -2.81 -0.06 0.00 0.02 0.00 0.00 34.50 31.56 2pw5 s PRO 42 CO 0.23 -0.49 0.60 -2.00 -0.33 0.00 0.00 177.00 175.01 2pw5 s GLU 43 N -2.19 3.74 -0.12 5.54 2.12 -1.26 -4.26 118.70 122.27 2pw5 s GLU 43 Ca 0.56 0.23 0.20 0.00 0.36 0.00 0.00 54.97 56.31 2pw5 s GLU 43 Cb -0.40 -2.59 -0.29 0.00 0.26 0.00 0.00 34.13 31.11 2pw5 s GLU 43 CO 0.51 0.21 0.26 0.25 -0.54 0.00 0.00 175.26 175.95 2pw5 n THR 44 N -0.65 0.74 -1.56 -1.70 -2.24 -1.26 0.01 114.28 107.61 2pw5 n THR 44 Ca 0.00 -0.69 -0.32 0.00 -2.27 0.00 0.00 64.05 60.78 2pw5 n THR 44 Cb 0.53 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 2pw5 n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2pw5 n LYS 45 N -2.52 3.38 -3.98 -0.78 5.02 -1.26 -4.68 118.16 113.35 2pw5 n LYS 45 Ca -0.19 -2.51 -0.31 0.00 -2.02 0.00 0.00 58.31 53.28 2pw5 n LYS 45 Cb 0.88 -2.42 -0.16 0.00 -0.02 0.00 0.00 35.03 33.32 2pw5 n LYS 45 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pw5 s VAL 51 N -0.50 1.65 0.82 -0.18 1.01 -1.26 -5.31 120.40 116.63 2pw5 s VAL 51 Ca 0.61 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2pw5 s VAL 51 Cb 0.26 -1.81 0.08 0.00 0.00 0.00 0.00 36.38 34.91 2pw5 s VAL 51 CO -0.11 0.03 1.09 -1.61 0.00 0.00 0.00 175.10 174.50 2pw5 s GLU 52 N 1.36 1.89 0.28 2.72 2.02 0.10 -4.95 118.70 122.12 2pw5 s GLU 52 Ca -0.04 0.99 -0.30 0.00 0.02 0.00 0.00 54.97 55.64 2pw5 s GLU 52 Cb -0.18 -1.87 -0.10 0.00 0.10 0.00 0.00 34.13 32.08 2pw5 s GLU 52 CO -0.07 -1.85 1.48 0.21 0.02 0.00 0.00 175.26 175.05 2pw5 s LYS 53 N -4.94 4.22 0.00 1.61 2.47 -1.26 -1.90 119.74 119.94 2pw5 s LYS 53 Ca 0.62 2.39 0.00 0.00 -1.56 0.00 0.00 55.97 57.42 2pw5 s LYS 53 Cb -0.17 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 2pw5 s LYS 53 CO 0.56 -0.47 0.00 0.66 0.16 0.00 0.00 175.35 176.26 2pw5 n TYR 54 N 2.02 0.00 0.10 4.03 4.01 -1.26 -4.68 117.16 121.37 2pw5 n TYR 54 Ca 0.06 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 2pw5 n TYR 54 Cb 0.39 -0.76 -0.08 0.00 -0.31 0.00 0.00 39.34 38.59 2pw5 n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2pw5 h GLY 55 N 0.00 -0.18 2.00 2.72 0.00 -1.56 -0.03 103.07 106.03 2pw5 h GLY 55 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 2pw5 h GLY 55 CO 0.00 -0.06 -0.28 -0.56 0.00 0.00 0.00 176.54 175.64 2pw5 h PRO 56 N -0.24 0.00 -0.22 4.80 0.13 -1.87 -1.99 132.00 132.61 2pw5 h PRO 56 Ca -0.02 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 2pw5 h PRO 56 Cb 0.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 2pw5 h PRO 56 CO 0.03 0.28 -0.05 0.93 -0.23 0.00 0.00 178.00 178.96 2pw5 h GLU 57 N 0.00 0.42 -0.73 0.86 3.07 -1.86 -0.96 114.58 115.38 2pw5 h GLU 57 Ca -0.00 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2pw5 h GLU 57 Cb 0.50 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 2pw5 h GLU 57 CO 0.04 0.66 0.48 0.00 -1.40 0.00 0.00 179.01 178.78 2pw5 h ALA 58 N 0.75 0.93 -0.10 3.43 0.00 -0.80 0.27 119.26 123.74 2pw5 h ALA 58 Ca 0.06 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2pw5 h ALA 58 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pw5 h ALA 58 CO 0.02 0.32 -0.62 0.66 0.00 0.00 0.00 179.25 179.64 2pw5 h SER 59 N 0.97 0.39 -0.41 0.00 4.64 -1.32 -2.05 113.55 115.77 2pw5 h SER 59 Ca 0.27 -0.23 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 2pw5 h SER 59 Cb -0.08 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 2pw5 h SER 59 CO -0.07 0.91 -0.24 0.00 -0.87 0.00 0.00 176.83 176.55 2pw5 h ALA 60 N 1.09 0.73 0.16 5.18 0.00 -0.83 -1.37 119.26 124.23 2pw5 h ALA 60 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2pw5 h ALA 60 Cb 1.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2pw5 h ALA 60 CO 0.10 0.67 -0.09 0.35 0.00 0.00 0.00 179.25 180.27 2pw5 h PHE 61 N 0.79 -0.24 -0.24 0.00 3.57 -0.76 -1.45 116.94 118.61 2pw5 h PHE 61 Ca 0.10 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 2pw5 h PHE 61 Cb 0.81 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2pw5 h PHE 61 CO 0.05 -0.15 -0.38 1.79 -2.23 0.00 0.00 178.31 177.39 2pw5 h THR 62 N -0.24 1.30 -0.29 4.41 1.35 -1.33 -2.41 112.91 115.69 2pw5 h THR 62 Ca -0.02 -1.53 0.04 0.00 -0.55 0.00 0.00 66.41 64.35 2pw5 h THR 62 Cb 0.20 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.11 2pw5 h THR 62 CO 0.02 0.48 0.07 0.50 -0.25 0.00 0.00 175.52 176.34 2pw5 h LYS 63 N 0.46 0.18 -0.41 4.72 3.64 -1.06 -0.12 116.57 123.98 2pw5 h LYS 63 Ca 0.04 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2pw5 h LYS 63 Cb 0.87 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 2pw5 h LYS 63 CO 0.07 0.12 0.21 -0.22 -2.27 0.00 0.00 179.45 177.36 2pw5 h LYS 64 N 0.18 0.41 -0.64 1.90 1.63 -1.16 -0.67 116.57 118.22 2pw5 h LYS 64 Ca 0.13 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2pw5 h LYS 64 Cb 0.13 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 2pw5 h LYS 64 CO -0.16 0.27 0.38 0.52 -3.45 0.00 0.00 179.45 177.01 2pw5 h MET 65 N 0.42 0.88 -0.12 1.90 2.86 -0.87 -2.16 114.93 117.84 2pw5 h MET 65 Ca 0.17 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 2pw5 h MET 65 Cb 0.07 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 2pw5 h MET 65 CO -0.11 0.63 -0.06 1.88 1.06 0.00 0.00 176.91 180.30 2pw5 h TYR 66 N 0.87 0.30 -0.13 -0.22 0.99 -0.78 -3.16 116.97 114.84 2pw5 h TYR 66 Ca 0.23 -0.08 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 2pw5 h TYR 66 Cb -0.01 -0.07 -0.01 0.00 1.00 0.00 0.00 36.73 37.64 2pw5 h TYR 66 CO -0.02 0.61 -0.39 0.93 -0.00 0.00 0.00 178.16 179.29 2pw5 h GLU 67 N -0.10 0.27 -0.18 4.88 5.08 -1.10 -3.16 114.58 120.27 2pw5 h GLU 67 Ca 0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2pw5 h GLU 67 Cb 0.53 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2pw5 h GLU 67 CO 0.02 0.62 0.00 0.09 -1.00 0.00 0.00 179.01 178.74 2pw5 n ASN 68 N -4.04 2.13 -4.83 1.42 5.03 -0.82 -4.94 115.26 109.21 2pw5 n ASN 68 Ca -0.01 -1.77 -0.34 0.00 0.87 0.00 0.00 54.58 53.33 2pw5 n ASN 68 Cb 0.47 -0.11 -0.06 0.00 -1.02 0.00 0.00 39.78 39.05 2pw5 n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pw5 s ALA 69 N -1.77 3.29 -0.02 5.41 0.00 -1.19 -4.97 121.76 122.50 2pw5 s ALA 69 Ca 0.34 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 2pw5 s ALA 69 Cb 0.19 -2.86 -0.27 0.00 0.00 0.00 0.00 23.12 20.18 2pw5 s ALA 69 CO 0.29 0.29 0.75 0.87 0.00 0.00 0.00 175.76 177.95 2pw5 h LYS 70 N 2.54 0.24 -4.28 0.00 1.57 -1.92 -3.47 116.57 111.25 2pw5 h LYS 70 Ca -0.48 -0.41 -0.39 0.00 -1.87 0.00 0.00 60.65 57.50 2pw5 h LYS 70 Cb 1.18 0.15 -0.32 0.00 0.08 0.00 0.00 32.23 33.33 2pw5 h LYS 70 CO 0.65 1.08 -0.77 0.15 -0.57 0.00 0.00 179.45 179.98 2pw5 s LYS 71 N -2.60 0.77 -0.04 3.15 1.02 -1.26 -5.03 119.74 115.74 2pw5 s LYS 71 Ca -0.11 -0.19 0.07 0.00 0.02 0.00 0.00 55.97 55.76 2pw5 s LYS 71 Cb 0.07 -0.75 -0.02 0.00 -0.52 0.00 0.00 37.83 36.61 2pw5 s LYS 71 CO 0.84 0.03 -0.25 0.42 -0.92 0.00 0.00 175.35 175.47 2pw5 s ILE 72 N 0.43 2.10 0.03 2.17 -1.09 -1.26 -0.74 121.20 122.84 2pw5 s ILE 72 Ca -0.06 -1.07 0.01 0.00 -2.23 0.00 0.00 60.65 57.31 2pw5 s ILE 72 Cb -0.10 -1.75 -0.02 0.00 -1.58 0.00 0.00 42.46 39.02 2pw5 s ILE 72 CO 0.00 0.57 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.62 2pw5 s GLU 73 N -0.36 0.45 0.04 2.79 2.02 -0.28 -2.23 118.70 121.13 2pw5 s GLU 73 Ca 0.03 -0.69 0.09 0.00 0.02 0.00 0.00 54.97 54.41 2pw5 s GLU 73 Cb -0.12 -0.15 -0.03 0.00 0.10 0.00 0.00 34.13 33.93 2pw5 s GLU 73 CO 0.02 0.02 -0.25 0.14 0.02 0.00 0.00 175.26 175.20 2pw5 s VAL 74 N -1.38 2.23 -0.18 2.63 -7.23 0.52 -0.50 120.40 116.50 2pw5 s VAL 74 Ca -0.12 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2pw5 s VAL 74 Cb -0.10 -1.87 0.05 0.00 0.56 0.00 0.00 36.38 35.02 2pw5 s VAL 74 CO -0.00 0.38 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.46 2pw5 s GLU 75 N -1.22 1.06 0.50 4.82 2.12 0.30 -1.13 118.70 125.14 2pw5 s GLU 75 Ca 0.12 -0.48 -0.17 0.00 0.36 0.00 0.00 54.97 54.81 2pw5 s GLU 75 Cb -0.10 -2.02 -0.08 0.00 0.26 0.00 0.00 34.13 32.19 2pw5 s GLU 75 CO 0.02 -0.52 0.97 -0.06 -0.54 0.00 0.00 175.26 175.13 2pw5 s PHE 76 N 1.73 3.43 0.03 5.30 0.40 -1.26 -1.12 117.98 126.48 2pw5 s PHE 76 Ca -0.00 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 2pw5 s PHE 76 Cb -0.16 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.60 2pw5 s PHE 76 CO -0.07 -0.31 0.03 -3.47 0.70 0.00 0.00 175.22 172.10 2pw5 n ASP 77 N -1.43 0.06 -0.25 1.36 -0.08 -1.26 -4.66 116.55 110.29 2pw5 n ASP 77 Ca 0.06 -1.05 0.13 0.00 -1.51 0.00 0.00 54.79 52.43 2pw5 n ASP 77 Cb 0.54 -0.02 0.46 0.00 2.34 0.00 0.00 41.12 44.44 2pw5 n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2pw5 n LYS 78 N -1.06 0.94 0.00 -0.67 2.85 -1.26 -4.89 118.16 114.07 2pw5 n LYS 78 Ca 0.01 -0.51 0.00 0.00 -1.05 0.00 0.00 58.31 56.76 2pw5 n LYS 78 Cb 0.02 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 2pw5 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pw5 n GLY 79 N 1.29 1.43 3.76 2.58 0.00 -1.26 -4.96 105.19 108.03 2pw5 n GLY 79 Ca 0.14 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 2pw5 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pw5 s GLN 80 N 2.59 4.17 0.00 1.61 -0.21 -1.16 -4.93 119.66 121.72 2pw5 s GLN 80 Ca 0.00 2.49 0.23 0.00 0.02 0.00 0.00 55.36 58.10 2pw5 s GLN 80 Cb 0.00 -3.03 0.13 0.00 1.00 0.00 0.00 33.01 31.11 2pw5 s GLN 80 CO 0.00 -0.52 1.17 0.54 -2.12 0.00 0.00 175.29 174.36 2pw5 n ARG 81 N 1.53 1.00 -3.93 2.91 1.74 -1.26 -4.81 116.66 113.83 2pw5 n ARG 81 Ca 0.05 -0.78 -0.10 0.00 -0.77 0.00 0.00 57.85 56.24 2pw5 n ARG 81 Cb 0.39 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.23 2pw5 n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2pw5 s THR 82 N -2.54 0.08 0.43 0.55 -4.23 -1.26 -0.94 115.64 107.72 2pw5 s THR 82 Ca 0.18 -0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 2pw5 s THR 82 Cb 0.18 -0.22 0.09 0.00 1.34 0.00 0.00 72.50 73.88 2pw5 s THR 82 CO 0.59 -0.35 0.58 -0.90 -0.54 0.00 0.00 174.62 174.01 2pw5 n ASP 83 N 1.98 0.62 0.28 3.99 5.68 -0.34 -4.93 116.55 123.82 2pw5 n ASP 83 Ca -0.21 -1.56 0.16 0.00 -0.50 0.00 0.00 54.79 52.69 2pw5 n ASP 83 Cb 0.56 -0.39 0.81 0.00 -1.14 0.00 0.00 41.12 40.96 2pw5 n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2pw5 h LYS 84 N 0.00 0.00 -0.30 0.11 2.10 -2.02 -2.24 116.57 114.21 2pw5 h LYS 84 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2pw5 h LYS 84 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2pw5 h LYS 84 CO 0.19 0.06 0.00 0.66 -2.00 0.00 0.00 179.45 178.36 2pw5 n TYR 85 N -3.32 0.40 -0.96 0.07 4.02 -1.26 -4.91 117.16 111.20 2pw5 n TYR 85 Ca -0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 2pw5 n TYR 85 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 2pw5 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pw5 n GLY 86 N 1.07 0.54 3.79 2.72 0.00 -0.84 -5.04 105.19 107.43 2pw5 n GLY 86 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2pw5 n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pw5 s ARG 87 N -0.04 4.45 0.29 1.61 0.52 -1.26 -4.77 118.95 119.76 2pw5 s ARG 87 Ca 0.00 1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 55.99 2pw5 s ARG 87 Cb 0.00 -3.06 -0.10 0.00 0.52 0.00 0.00 34.95 32.31 2pw5 s ARG 87 CO 0.00 0.47 1.12 0.20 0.02 0.00 0.00 175.30 177.11 2pw5 s GLY 88 N -1.39 3.05 -0.32 -3.53 0.00 0.00 -1.20 107.32 103.93 2pw5 s GLY 88 Ca 0.40 0.94 -0.07 0.00 0.00 0.00 0.00 44.72 45.99 2pw5 s GLY 88 CO 0.24 1.54 0.10 1.08 0.00 0.00 0.00 173.10 176.06 2pw5 s LEU 89 N -1.54 4.09 0.29 0.66 1.43 -0.11 0.02 118.68 123.52 2pw5 s LEU 89 Ca 0.46 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 2pw5 s LEU 89 Cb -0.33 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2pw5 s LEU 89 CO 0.42 -0.26 0.63 0.00 0.23 0.00 0.00 176.35 177.37 2pw5 s ALA 90 N 1.47 -0.62 -0.14 4.21 0.00 -1.15 -4.34 121.76 121.20 2pw5 s ALA 90 Ca 0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 2pw5 s ALA 90 Cb -0.18 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2pw5 s ALA 90 CO 0.03 -0.94 0.21 0.71 0.00 0.00 0.00 175.76 175.77 2pw5 s TYR 91 N -3.57 3.52 -0.04 0.00 2.02 -0.28 -1.19 117.35 117.82 2pw5 s TYR 91 Ca 0.18 0.55 0.05 0.00 -0.37 0.00 0.00 57.07 57.48 2pw5 s TYR 91 Cb -0.04 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2pw5 s TYR 91 CO 0.10 0.46 -0.20 0.42 -1.57 0.00 0.00 175.55 174.76 2pw5 s ILE 92 N -0.22 2.58 -0.06 2.71 -1.09 -1.26 -0.54 121.20 123.32 2pw5 s ILE 92 Ca 0.14 -0.90 0.06 0.00 -2.23 0.00 0.00 60.65 57.72 2pw5 s ILE 92 Cb -0.13 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.77 2pw5 s ILE 92 CO 0.03 0.58 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.79 2pw5 s TYR 93 N -0.61 2.49 -0.23 3.97 2.02 0.34 0.14 117.35 125.47 2pw5 s TYR 93 Ca 0.09 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 2pw5 s TYR 93 Cb -0.11 -1.61 0.05 0.00 -0.40 0.00 0.00 41.96 39.90 2pw5 s TYR 93 CO 0.00 -0.12 -0.12 0.00 -1.57 0.00 0.00 175.55 173.74 2pw5 s ALA 94 N -0.29 2.40 -1.36 3.71 0.00 0.12 -1.12 121.76 125.21 2pw5 s ALA 94 Ca 0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 2pw5 s ALA 94 Cb -0.13 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.56 2pw5 s ALA 94 CO 0.02 -0.99 0.78 -0.25 0.00 0.00 0.00 175.76 175.33 2pw5 n ASP 95 N 4.52 -2.20 0.00 0.00 10.43 0.08 -1.25 116.55 128.13 2pw5 n ASP 95 Ca -0.15 -0.80 0.00 0.00 2.57 0.00 0.00 54.79 56.41 2pw5 n ASP 95 Cb 0.44 -4.04 0.00 0.00 1.84 0.00 0.00 41.12 39.36 2pw5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pw5 n GLY 96 N -1.62 2.23 3.69 0.44 0.00 -1.26 -5.00 105.19 103.67 2pw5 n GLY 96 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 2pw5 n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pw5 s LYS 97 N -0.03 4.16 -0.12 1.61 1.02 -0.38 -5.03 119.74 120.97 2pw5 s LYS 97 Ca 0.00 -0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.64 2pw5 s LYS 97 Cb 0.00 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2pw5 s LYS 97 CO 0.00 0.12 1.37 1.41 -0.92 0.00 0.00 175.35 177.33 2pw5 s MET 98 N 0.87 4.23 0.22 1.68 -2.45 -1.26 -0.70 119.30 121.89 2pw5 s MET 98 Ca 0.13 1.82 -0.06 0.00 -1.25 0.00 0.00 55.69 56.32 2pw5 s MET 98 Cb -0.13 -3.80 0.20 0.00 1.25 0.00 0.00 34.83 32.34 2pw5 s MET 98 CO 0.04 -0.72 1.76 0.28 1.05 0.00 0.00 175.02 177.43 2pw5 h VAL 99 N 5.46 1.26 -0.32 10.11 2.07 -0.66 -1.94 116.25 132.22 2pw5 h VAL 99 Ca -0.31 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.38 2pw5 h VAL 99 Cb 1.13 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 2pw5 h VAL 99 CO 0.96 0.35 -0.13 0.78 0.02 0.00 0.00 177.57 179.55 2pw5 h ASN 100 N 1.04 -0.44 -0.23 0.57 4.21 -1.91 -1.71 115.58 117.11 2pw5 h ASN 100 Ca 0.23 0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 2pw5 h ASN 100 Cb 0.31 0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 2pw5 h ASN 100 CO -0.01 -0.16 0.10 -0.08 -1.29 0.00 0.00 177.43 175.99 2pw5 h GLU 101 N -0.07 0.34 -0.82 0.81 4.81 -1.88 -2.81 114.58 114.96 2pw5 h GLU 101 Ca 0.16 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 2pw5 h GLU 101 Cb 0.31 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 2pw5 h GLU 101 CO -0.36 0.37 0.49 0.00 -0.73 0.00 0.00 179.01 178.77 2pw5 h ALA 102 N 0.95 1.13 -0.22 2.92 0.00 -1.06 0.33 119.26 123.31 2pw5 h ALA 102 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2pw5 h ALA 102 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pw5 h ALA 102 CO -0.01 0.19 0.10 -0.07 0.00 0.00 0.00 179.25 179.47 2pw5 h LEU 103 N 0.88 0.29 -0.20 0.00 3.38 -1.21 -1.74 115.31 116.71 2pw5 h LEU 103 Ca 0.37 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2pw5 h LEU 103 Cb 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2pw5 h LEU 103 CO -0.19 0.35 0.05 0.58 0.09 0.00 0.00 178.44 179.32 2pw5 h VAL 104 N 0.22 1.20 -0.58 1.22 2.07 -1.19 0.11 116.25 119.29 2pw5 h VAL 104 Ca 0.08 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.98 2pw5 h VAL 104 Cb 0.13 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2pw5 h VAL 104 CO -0.01 0.20 0.39 -0.09 0.02 0.00 0.00 177.57 178.08 2pw5 h ARG 105 N 0.14 0.72 -0.00 1.57 9.65 -0.88 0.75 114.38 126.33 2pw5 h ARG 105 Ca 0.06 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2pw5 h ARG 105 Cb 0.25 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2pw5 h ARG 105 CO -0.00 0.48 -0.02 0.94 2.80 0.00 0.00 179.97 184.17 2pw5 n GLN 106 N -4.46 0.84 -2.38 0.20 -0.06 -0.66 -4.42 117.38 106.44 2pw5 n GLN 106 Ca 0.06 -0.11 -0.09 0.00 -2.00 0.00 0.00 57.00 54.87 2pw5 n GLN 106 Cb 0.09 -1.50 0.01 0.00 -4.06 0.00 0.00 30.24 24.78 2pw5 n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2pw5 n GLY 107 N 1.14 0.12 0.66 1.69 0.00 0.26 -4.49 105.19 104.56 2pw5 n GLY 107 Ca 0.19 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.80 2pw5 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pw5 n LEU 108 N -1.51 2.89 -3.52 0.99 4.77 0.35 -1.78 117.00 119.19 2pw5 n LEU 108 Ca -0.07 -1.91 -0.13 0.00 -0.03 0.00 0.00 56.01 53.88 2pw5 n LEU 108 Cb 0.56 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 2pw5 n LEU 108 CO 0.16 0.71 0.58 0.00 -1.33 0.00 0.00 177.39 177.51 2pw5 s ALA 109 N -1.00 -1.80 0.23 -1.18 0.00 -1.19 -4.40 121.76 112.43 2pw5 s ALA 109 Ca 0.23 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.45 2pw5 s ALA 109 Cb 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2pw5 s ALA 109 CO 0.16 -0.49 0.19 0.15 0.00 0.00 0.00 175.76 175.77 2pw5 s LYS 110 N -2.02 2.93 0.01 0.00 1.02 -0.66 -4.40 119.74 116.62 2pw5 s LYS 110 Ca -0.03 -1.02 -0.30 0.00 0.02 0.00 0.00 55.97 54.64 2pw5 s LYS 110 Cb -0.01 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2pw5 s LYS 110 CO -0.00 0.42 1.02 0.08 -0.92 0.00 0.00 175.35 175.94 2pw5 s VAL 111 N -2.06 4.73 0.62 3.17 1.01 -1.26 -1.46 120.40 125.15 2pw5 s VAL 111 Ca 0.32 1.96 -0.05 0.00 0.00 0.00 0.00 61.98 64.22 2pw5 s VAL 111 Cb -0.08 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2pw5 s VAL 111 CO 0.25 0.15 0.91 0.00 0.00 0.00 0.00 175.10 176.41 2pw5 s ALA 112 N 1.01 3.35 0.48 5.51 0.00 -0.05 -4.84 121.76 127.22 2pw5 s ALA 112 Ca 0.53 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 2pw5 s ALA 112 Cb -0.22 -2.50 -0.07 0.00 0.00 0.00 0.00 23.12 20.32 2pw5 s ALA 112 CO 0.28 -0.96 1.20 0.71 0.00 0.00 0.00 175.76 177.00 2pw5 s TYR 113 N -3.03 2.74 0.28 0.00 4.12 -1.26 -4.83 117.35 115.36 2pw5 s TYR 113 Ca 0.56 1.50 -0.30 0.00 0.02 0.00 0.00 57.07 58.86 2pw5 s TYR 113 Cb -0.11 -3.46 -0.11 0.00 -1.52 0.00 0.00 41.96 36.76 2pw5 s TYR 113 CO 0.44 -1.80 1.56 0.08 0.02 0.00 0.00 175.55 175.85 2pw5 s VAL 114 N -1.51 2.20 -0.21 0.71 1.01 -1.26 -4.83 120.40 116.50 2pw5 s VAL 114 Ca 0.66 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 2pw5 s VAL 114 Cb -0.31 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2pw5 s VAL 114 CO 0.37 0.03 -0.08 -0.47 0.00 0.00 0.00 175.10 174.94 2pw5 s TYR 115 N 0.02 2.92 -1.49 5.22 5.04 -1.26 -4.82 117.35 122.98 2pw5 s TYR 115 Ca 0.63 -1.14 -0.03 0.00 -2.44 0.00 0.00 57.07 54.08 2pw5 s TYR 115 Cb -0.47 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 39.79 2pw5 s TYR 115 CO 0.47 -0.62 0.13 1.63 -1.34 0.00 0.00 175.55 175.82 2pw5 n LYS 116 N 4.75 -1.29 -0.62 4.97 4.76 -1.26 -1.64 118.16 127.83 2pw5 n LYS 116 Ca -0.19 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2pw5 n LYS 116 Cb 0.50 -3.66 0.00 0.00 -1.84 0.00 0.00 35.03 30.03 2pw5 n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pw5 n GLY 117 N -2.44 1.11 3.50 0.72 0.00 -1.26 -2.99 105.19 103.83 2pw5 n GLY 117 Ca -0.31 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 2pw5 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pw5 s ASN 118 N -3.09 7.01 0.00 1.61 0.01 -0.65 -4.07 114.94 115.76 2pw5 s ASN 118 Ca 0.00 -2.86 0.00 0.00 -0.71 0.00 0.00 52.86 49.29 2pw5 s ASN 118 Cb 0.00 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.21 2pw5 s ASN 118 CO 0.00 -0.86 0.76 -0.46 -1.51 0.00 0.00 177.10 175.03 2pw5 n ASN 119 N 6.39 1.09 -0.28 -1.22 6.94 -1.26 -4.38 115.26 122.53 2pw5 n ASN 119 Ca 0.40 -1.54 0.09 0.00 -0.02 0.00 0.00 54.58 53.52 2pw5 n ASN 119 Cb 0.44 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 38.10 2pw5 n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2pw5 h THR 120 N 1.33 0.42 -0.46 5.53 2.02 -2.02 -1.95 112.91 117.78 2pw5 h THR 120 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2pw5 h THR 120 Cb 0.71 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2pw5 h THR 120 CO 0.00 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.35 2pw5 n HIS 121 N -5.17 1.48 -0.37 3.16 8.25 -1.26 -4.61 115.22 116.70 2pw5 n HIS 121 Ca 0.18 -0.75 -0.02 0.00 -0.26 0.00 0.00 57.72 56.87 2pw5 n HIS 121 Cb 0.57 -0.37 0.11 0.00 1.12 0.00 0.00 29.99 31.42 2pw5 n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2pw5 h GLU 122 N 3.09 1.27 -0.36 -0.41 4.81 -1.70 -1.58 114.58 119.69 2pw5 h GLU 122 Ca 0.00 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 2pw5 h GLU 122 Cb 1.63 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2pw5 h GLU 122 CO 0.33 0.84 0.02 1.96 -0.73 0.00 0.00 179.01 181.42 2pw5 h GLN 123 N 1.31 0.63 -0.45 1.92 1.08 -1.81 0.95 115.11 118.73 2pw5 h GLN 123 Ca 0.37 -0.19 0.05 0.00 -1.45 0.00 0.00 58.65 57.43 2pw5 h GLN 123 Cb -0.11 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.21 2pw5 h GLN 123 CO -0.09 0.73 0.17 1.25 -0.95 0.00 0.00 178.83 179.94 2pw5 h LEU 124 N 0.45 0.20 -0.48 1.46 5.85 -1.82 -1.33 115.31 119.63 2pw5 h LEU 124 Ca 0.11 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 2pw5 h LEU 124 Cb 0.43 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2pw5 h LEU 124 CO 0.02 0.15 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.74 2pw5 h LEU 125 N 0.35 0.81 -0.75 2.25 3.38 -1.03 -2.57 115.31 117.75 2pw5 h LEU 125 Ca 0.21 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2pw5 h LEU 125 Cb 0.19 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2pw5 h LEU 125 CO -0.20 1.14 0.44 0.03 0.09 0.00 0.00 178.44 179.93 2pw5 h ARG 126 N 0.60 0.77 -0.54 1.13 -0.00 -0.40 -1.03 114.38 114.91 2pw5 h ARG 126 Ca 0.04 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.98 59.38 2pw5 h ARG 126 Cb 1.01 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.79 2pw5 h ARG 126 CO 0.10 0.51 -0.01 0.87 0.00 0.00 0.00 179.97 181.43 2pw5 h LYS 127 N 0.79 0.96 -0.77 0.04 1.57 -1.11 -2.00 116.57 116.05 2pw5 h LYS 127 Ca 0.34 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2pw5 h LYS 127 Cb 0.20 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2pw5 h LYS 127 CO -0.19 0.98 0.40 0.00 -0.57 0.00 0.00 179.45 180.07 2pw5 h ALA 128 N 0.95 0.99 -0.72 3.86 0.00 -1.05 -2.37 119.26 120.92 2pw5 h ALA 128 Ca 0.15 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2pw5 h ALA 128 Cb 0.55 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2pw5 h ALA 128 CO 0.03 0.52 0.18 1.49 0.00 0.00 0.00 179.25 181.47 2pw5 h GLU 129 N 1.07 1.15 -0.79 0.00 4.81 -1.02 -1.58 114.58 118.22 2pw5 h GLU 129 Ca 0.27 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2pw5 h GLU 129 Cb 0.06 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2pw5 h GLU 129 CO -0.04 1.01 0.41 0.00 -0.73 0.00 0.00 179.01 179.66 2pw5 h ALA 130 N 1.09 1.02 -0.33 2.92 0.00 -1.05 -0.80 119.26 122.11 2pw5 h ALA 130 Ca 0.23 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2pw5 h ALA 130 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pw5 h ALA 130 CO 0.00 0.55 0.07 0.37 0.00 0.00 0.00 179.25 180.24 2pw5 h GLN 131 N 1.11 0.54 -0.75 0.00 5.75 -1.21 -0.63 115.11 119.93 2pw5 h GLN 131 Ca 0.28 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2pw5 h GLN 131 Cb 0.07 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2pw5 h GLN 131 CO -0.04 0.61 0.47 0.00 -2.65 0.00 0.00 178.83 177.22 2pw5 h ALA 132 N 0.91 1.42 -0.39 3.38 0.00 -0.98 -1.43 119.26 122.17 2pw5 h ALA 132 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pw5 h ALA 132 Cb 0.32 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2pw5 h ALA 132 CO 0.00 0.52 0.12 -0.22 0.00 0.00 0.00 179.25 179.67 2pw5 h LYS 133 N 1.02 0.61 -0.84 0.00 3.64 -0.78 -1.00 116.57 119.22 2pw5 h LYS 133 Ca 0.27 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2pw5 h LYS 133 Cb -0.07 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 2pw5 h LYS 133 CO -0.05 0.61 0.55 0.87 -2.27 0.00 0.00 179.45 179.16 2pw5 h LYS 134 N 0.48 1.03 -0.01 1.90 1.57 -0.44 -1.66 116.57 119.45 2pw5 h LYS 134 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2pw5 h LYS 134 Cb 0.26 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2pw5 h LYS 134 CO -0.00 0.68 -0.07 0.39 -0.57 0.00 0.00 179.45 179.87 2pw5 n GLU 135 N -4.44 1.04 -3.89 3.15 1.02 -0.60 -4.93 120.64 111.99 2pw5 n GLU 135 Ca 0.11 -0.43 -0.28 0.00 -0.02 0.00 0.00 57.16 56.54 2pw5 n GLU 135 Cb 0.09 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2pw5 n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2pw5 n LYS 136 N -0.61 -4.91 -2.70 3.49 5.02 -0.44 -4.92 118.16 113.09 2pw5 n LYS 136 Ca 0.17 0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 2pw5 n LYS 136 Cb 0.28 -5.27 -0.03 0.00 -0.02 0.00 0.00 35.03 29.99 2pw5 n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pw5 s LEU 137 N -7.08 4.41 0.00 -0.35 1.43 -0.86 -3.79 118.68 112.43 2pw5 s LEU 137 Ca 0.42 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 2pw5 s LEU 137 Cb -0.21 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2pw5 s LEU 137 CO 0.84 -0.21 0.00 0.59 0.23 0.00 0.00 176.35 177.80 2pw5 n ASN 138 N 3.55 0.00 -0.35 2.29 3.02 -1.26 -0.49 115.26 122.02 2pw5 n ASN 138 Ca 0.05 0.00 0.35 0.00 -0.03 0.00 0.00 54.58 54.95 2pw5 n ASN 138 Cb 0.50 0.00 0.74 0.00 -0.61 0.00 0.00 39.78 40.41 2pw5 n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2pw5 h ILE 139 N 0.00 0.39 -0.28 2.41 2.04 -1.67 0.86 117.51 121.25 2pw5 h ILE 139 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2pw5 h ILE 139 Cb 0.00 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2pw5 h ILE 139 CO 0.00 0.01 0.00 0.79 0.00 0.00 0.00 178.15 178.95 2pw5 n TRP 140 N -4.21 0.73 1.24 1.37 7.02 0.35 -5.13 117.44 118.81 2pw5 n TRP 140 Ca 0.27 -0.28 0.10 0.00 -1.02 0.00 0.00 57.50 56.57 2pw5 n TRP 140 Cb 1.27 -0.18 0.59 0.00 -2.42 0.00 0.00 31.31 30.57 2pw5 n TRP 140 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10