#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pw5 n ASP 3 N 0.00 0.00 -0.45 1.96 -0.08 -1.26 -4.74 116.55 111.98 1pw5 n ASP 3 Ca 0.00 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.35 1pw5 n ASP 3 Cb 0.00 0.00 0.17 0.00 2.34 0.00 0.00 41.12 43.63 1pw5 n ASP 3 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1pw5 n LYS 4 N -2.00 2.36 -3.49 -0.67 2.85 -1.26 -5.02 118.16 110.93 1pw5 n LYS 4 Ca 0.00 -2.45 -0.33 0.00 -1.05 0.00 0.00 58.31 54.48 1pw5 n LYS 4 Cb 0.00 -1.53 -0.05 0.00 -0.65 0.00 0.00 35.03 32.80 1pw5 n LYS 4 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1pw5 s ILE 5 N -2.33 5.00 -0.03 0.58 -1.09 -1.26 -4.82 121.20 117.25 1pw5 s ILE 5 Ca 0.30 0.41 0.01 0.00 -2.23 0.00 0.00 60.65 59.15 1pw5 s ILE 5 Cb 0.24 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1pw5 s ILE 5 CO 0.07 0.05 -0.01 -0.62 -1.23 0.00 0.00 174.94 173.20 1pw5 n GLU 6 N 0.21 2.03 -4.37 2.79 1.02 -0.20 -4.93 120.64 117.19 1pw5 n GLU 6 Ca -0.02 0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 1pw5 n GLU 6 Cb 0.52 -1.06 -0.16 0.00 -0.02 0.00 0.00 31.44 30.72 1pw5 n GLU 6 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1pw5 s LEU 7 N -4.62 2.05 -0.33 -4.62 2.96 -0.74 0.72 118.68 114.10 1pw5 s LEU 7 Ca -0.02 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1pw5 s LEU 7 Cb 0.01 -1.41 0.05 0.00 0.50 0.00 0.00 46.19 45.34 1pw5 s LEU 7 CO 0.09 0.03 0.06 -0.36 -1.32 0.00 0.00 176.35 174.85 1pw5 s PHE 8 N 1.08 3.27 -0.20 5.38 0.40 0.11 -0.61 117.98 127.42 1pw5 s PHE 8 Ca -0.01 -1.66 -0.29 0.00 -0.60 0.00 0.00 56.93 54.37 1pw5 s PHE 8 Cb -0.14 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1pw5 s PHE 8 CO -0.07 -0.77 1.10 0.42 0.70 0.00 0.00 175.22 176.60 1pw5 s ILE 9 N 1.33 4.57 -0.02 0.64 1.01 0.05 -1.55 121.20 127.23 1pw5 s ILE 9 Ca -0.03 1.89 0.01 0.00 0.00 0.00 0.00 60.65 62.53 1pw5 s ILE 9 Cb -0.20 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1pw5 s ILE 9 CO 0.01 -0.16 -0.01 -0.76 0.00 0.00 0.00 174.94 174.02 1pw5 s LEU 10 N 3.21 3.45 0.00 2.97 1.43 0.10 -0.96 118.68 128.88 1pw5 s LEU 10 Ca 0.47 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1pw5 s LEU 10 Cb -0.17 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1pw5 s LEU 10 CO 0.09 0.30 0.00 0.47 0.23 0.00 0.00 176.35 177.44 1pw5 n ASP 11 N 1.58 0.00 -0.71 2.29 9.92 -0.81 -1.22 116.55 127.60 1pw5 n ASP 11 Ca -0.15 -0.70 -0.09 0.00 -0.53 0.00 0.00 54.79 53.31 1pw5 n ASP 11 Cb 0.53 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.00 1pw5 n ASP 11 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1pw5 n ASP 13 N -2.11 -0.03 0.00 -2.24 2.03 -1.26 -3.71 116.55 109.23 1pw5 n ASP 13 Ca 0.00 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1pw5 n ASP 13 Cb 0.00 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1pw5 n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pw5 n GLY 14 N 0.25 3.23 1.15 0.27 0.00 -0.06 -4.80 105.19 105.24 1pw5 n GLY 14 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pw5 n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pw5 n THR 15 N -2.00 0.46 -0.02 2.61 -1.04 -1.26 -3.49 114.28 109.53 1pw5 n THR 15 Ca 0.00 0.15 -0.12 0.00 -2.04 0.00 0.00 64.05 62.04 1pw5 n THR 15 Cb 0.00 -1.40 -0.14 0.00 -1.82 0.00 0.00 70.33 66.97 1pw5 n THR 15 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1pw5 n PHE 16 N -3.17 0.95 -4.10 -1.42 7.35 -1.24 -4.90 117.46 110.92 1pw5 n PHE 16 Ca 0.00 0.30 -0.13 0.00 -0.76 0.00 0.00 57.45 56.86 1pw5 n PHE 16 Cb 0.25 -1.16 -0.06 0.00 0.35 0.00 0.00 39.48 38.86 1pw5 n PHE 16 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 1pw5 s TYR 17 N -2.58 0.95 -0.25 -5.13 -0.85 -1.26 -2.30 117.35 105.93 1pw5 s TYR 17 Ca -0.10 -1.19 -0.11 0.00 -0.52 0.00 0.00 57.07 55.15 1pw5 s TYR 17 Cb 0.07 -0.16 0.09 0.00 0.38 0.00 0.00 41.96 42.35 1pw5 s TYR 17 CO 0.81 -0.97 0.57 -1.17 -1.52 0.00 0.00 175.55 173.27 1pw5 s LEU 18 N -3.17 -0.79 -1.08 -3.49 2.96 0.41 -0.88 118.68 112.65 1pw5 s LEU 18 Ca 0.31 1.32 -0.05 0.00 -0.22 0.00 0.00 54.13 55.49 1pw5 s LEU 18 Cb 0.01 1.97 0.01 0.00 0.50 0.00 0.00 46.19 48.68 1pw5 s LEU 18 CO 0.16 -0.22 0.93 -0.67 -1.32 0.00 0.00 176.35 175.23 1pw5 n ASP 19 N 4.84 -4.39 -0.01 3.68 2.03 -1.26 -2.24 116.55 119.20 1pw5 n ASP 19 Ca -0.16 -0.47 -0.00 0.00 0.52 0.00 0.00 54.79 54.68 1pw5 n ASP 19 Cb 0.54 -4.29 -0.00 0.00 -0.72 0.00 0.00 41.12 36.65 1pw5 n ASP 19 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1pw5 n ASP 20 N -2.43 -5.53 -4.24 1.67 8.00 -1.26 -4.96 116.55 107.80 1pw5 n ASP 20 Ca -0.08 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 1pw5 n ASP 20 Cb 0.58 -3.04 -0.16 0.00 -0.02 0.00 0.00 41.12 38.48 1pw5 n ASP 20 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1pw5 s SER 21 N -2.01 2.90 0.68 -2.24 0.01 -0.95 -5.11 113.70 106.98 1pw5 s SER 21 Ca 0.00 -0.48 -0.17 0.00 1.31 0.00 0.00 55.95 56.61 1pw5 s SER 21 Cb 0.00 -0.80 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 1pw5 s SER 21 CO 0.00 0.23 1.01 0.18 0.41 0.00 0.00 173.24 175.06 1pw5 n LEU 22 N 2.99 3.89 -4.85 2.44 4.77 -1.26 -0.44 117.00 124.53 1pw5 n LEU 22 Ca -0.18 0.72 -0.37 0.00 -0.03 0.00 0.00 56.01 56.15 1pw5 n LEU 22 Cb 0.52 -1.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 1pw5 n LEU 22 CO 0.25 -1.87 -0.07 -0.76 -1.33 0.00 0.00 177.39 173.61 1pw5 s LEU 23 N -3.01 4.40 -0.09 2.23 1.43 -0.97 -4.68 118.68 117.99 1pw5 s LEU 23 Ca 0.75 0.62 -0.39 0.00 -1.03 0.00 0.00 54.13 54.08 1pw5 s LEU 23 Cb -0.37 -2.25 -0.17 0.00 0.03 0.00 0.00 46.19 43.43 1pw5 s LEU 23 CO 0.48 0.35 1.48 -2.65 0.23 0.00 0.00 176.35 176.24 1pw5 n PRO 24 N 2.11 0.97 0.00 1.29 -0.02 -1.26 -1.30 135.00 136.79 1pw5 n PRO 24 Ca -0.17 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1pw5 n PRO 24 Cb 0.54 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1pw5 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pw5 n GLY 25 N 3.12 2.71 0.19 -1.23 0.00 -1.26 -4.54 105.19 104.18 1pw5 n GLY 25 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1pw5 n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pw5 h SER 26 N 0.00 -0.43 0.26 1.61 0.02 -1.49 0.48 113.55 114.00 1pw5 h SER 26 Ca 0.00 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1pw5 h SER 26 Cb 0.00 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1pw5 h SER 26 CO 0.00 -0.20 -0.39 0.25 -1.14 0.00 0.00 176.83 175.36 1pw5 h LEU 27 N -0.22 -1.09 -2.81 5.07 7.12 -1.92 -1.43 115.31 120.03 1pw5 h LEU 27 Ca 0.06 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1pw5 h LEU 27 Cb 0.30 0.39 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1pw5 h LEU 27 CO -0.17 -0.50 0.05 -0.33 -0.13 0.00 0.00 178.44 177.36 1pw5 h GLU 28 N -0.71 0.00 0.07 1.25 3.07 -1.92 -2.35 114.58 113.99 1pw5 h GLU 28 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1pw5 h GLU 28 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1pw5 h GLU 28 CO -0.14 0.00 -0.03 0.35 -1.40 0.00 0.00 179.01 177.79 1pw5 h PHE 29 N 0.00 -0.08 -0.76 4.33 3.57 0.22 -2.63 116.94 121.59 1pw5 h PHE 29 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1pw5 h PHE 29 Cb 0.10 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1pw5 h PHE 29 CO 0.00 0.47 0.47 -0.07 -2.23 0.00 0.00 178.31 176.96 1pw5 h LEU 30 N -0.73 0.77 -0.61 0.59 3.38 -1.19 -1.56 115.31 115.97 1pw5 h LEU 30 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1pw5 h LEU 30 Cb 0.59 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1pw5 h LEU 30 CO 0.01 0.53 0.31 -0.33 0.09 0.00 0.00 178.44 179.05 1pw5 h GLU 31 N 0.91 0.55 -0.41 1.13 5.08 -1.56 -0.07 114.58 120.21 1pw5 h GLU 31 Ca 0.31 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1pw5 h GLU 31 Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1pw5 h GLU 31 CO -0.12 0.37 0.28 1.15 -1.00 0.00 0.00 179.01 179.68 1pw5 h THR 32 N 0.57 1.09 0.00 1.13 2.02 -0.91 -0.33 112.91 116.48 1pw5 h THR 32 Ca 0.28 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 67.16 1pw5 h THR 32 Cb 0.21 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1pw5 h THR 32 CO -0.20 0.10 -0.55 -0.07 0.37 0.00 0.00 175.52 175.17 1pw5 h LEU 33 N 0.54 0.00 0.66 2.58 3.38 -0.38 -1.12 115.31 120.98 1pw5 h LEU 33 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1pw5 h LEU 33 Cb -0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1pw5 h LEU 33 CO -0.03 0.55 -0.32 0.50 0.09 0.00 0.00 178.44 179.23 1pw5 h LYS 34 N 0.00 -0.86 0.12 1.13 3.11 0.44 2.07 116.57 122.58 1pw5 h LYS 34 Ca -0.01 0.06 0.01 0.00 -2.81 0.00 0.00 60.65 57.90 1pw5 h LYS 34 Cb 1.14 0.19 -0.04 0.00 -1.00 0.00 0.00 32.23 32.52 1pw5 h LYS 34 CO 0.07 -0.57 -0.46 0.93 -2.81 0.00 0.00 179.45 176.61 1pw5 h GLU 35 N -1.07 -0.65 -0.00 1.90 5.08 -1.38 0.16 114.58 118.63 1pw5 h GLU 35 Ca -0.09 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1pw5 h GLU 35 Cb 0.68 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1pw5 h GLU 35 CO 0.15 -0.43 0.00 1.63 -1.00 0.00 0.00 179.01 179.36 1pw5 n LYS 36 N -5.08 0.18 -3.38 2.33 4.76 -0.43 -4.79 118.16 111.74 1pw5 n LYS 36 Ca -0.08 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.17 1pw5 n LYS 36 Cb 0.36 -1.00 0.06 0.00 -1.84 0.00 0.00 35.03 32.62 1pw5 n LYS 36 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1pw5 n ASN 37 N -0.50 -5.95 -4.46 4.39 5.15 0.56 -5.00 115.26 109.46 1pw5 n ASN 37 Ca 0.00 -0.79 -0.26 0.00 -0.60 0.00 0.00 54.58 52.93 1pw5 n ASN 37 Cb 0.00 -4.70 -0.11 0.00 -0.53 0.00 0.00 39.78 34.44 1pw5 n ASN 37 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1pw5 s LYS 38 N -4.89 1.65 -0.11 1.20 -0.14 0.69 -4.98 119.74 113.16 1pw5 s LYS 38 Ca 0.43 -1.51 -0.02 0.00 -1.36 0.00 0.00 55.97 53.52 1pw5 s LYS 38 Cb -0.08 -1.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 1pw5 s LYS 38 CO 0.77 0.40 -0.05 1.03 -0.76 0.00 0.00 175.35 176.74 1pw5 s ARG 39 N -2.82 3.22 0.04 1.68 1.81 0.22 -4.54 118.95 118.56 1pw5 s ARG 39 Ca 0.23 -0.53 0.05 0.00 -1.72 0.00 0.00 55.73 53.76 1pw5 s ARG 39 Cb -0.08 -2.76 -0.02 0.00 -0.45 0.00 0.00 34.95 31.64 1pw5 s ARG 39 CO 0.12 0.46 -0.13 -0.59 -0.68 0.00 0.00 175.30 174.47 1pw5 s PHE 40 N -0.24 1.17 -0.05 -0.53 -0.12 -1.26 0.09 117.98 117.04 1pw5 s PHE 40 Ca 0.04 -0.36 -0.02 0.00 -0.05 0.00 0.00 56.93 56.54 1pw5 s PHE 40 Cb -0.13 -0.69 0.03 0.00 -0.63 0.00 0.00 43.02 41.60 1pw5 s PHE 40 CO 0.02 0.03 0.08 0.08 -0.05 0.00 0.00 175.22 175.38 1pw5 s VAL 41 N -0.88 -0.13 0.49 -2.49 1.01 -0.60 -4.89 120.40 112.91 1pw5 s VAL 41 Ca 0.01 0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 1pw5 s VAL 41 Cb -0.08 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 1pw5 s VAL 41 CO 0.01 0.16 1.02 -0.36 0.00 0.00 0.00 175.10 175.93 1pw5 s PHE 42 N 2.06 3.07 -0.13 5.22 0.40 0.19 -0.72 117.98 128.07 1pw5 s PHE 42 Ca 0.03 1.57 -0.12 0.00 -0.60 0.00 0.00 56.93 57.81 1pw5 s PHE 42 Cb -0.12 -3.01 0.03 0.00 0.51 0.00 0.00 43.02 40.43 1pw5 s PHE 42 CO -0.04 -0.70 0.34 0.12 0.70 0.00 0.00 175.22 175.65 1pw5 s PHE 43 N -2.08 -0.38 -0.03 0.36 5.36 -0.35 -1.55 117.98 119.30 1pw5 s PHE 43 Ca 0.66 0.92 -0.02 0.00 -0.96 0.00 0.00 56.93 57.52 1pw5 s PHE 43 Cb -0.15 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1pw5 s PHE 43 CO 0.20 -0.18 0.08 -0.08 -1.46 0.00 0.00 175.22 173.78 1pw5 s THR 44 N 0.19 -0.01 -1.49 0.12 -1.32 -0.95 -4.51 115.64 107.67 1pw5 s THR 44 Ca -0.00 0.03 0.29 0.00 -1.21 0.00 0.00 61.69 60.80 1pw5 s THR 44 Cb -0.02 -0.12 0.55 0.00 -1.51 0.00 0.00 72.50 71.39 1pw5 s THR 44 CO 0.00 0.01 2.03 0.59 -2.21 0.00 0.00 174.62 175.04 1pw5 n ASN 45 N 3.22 0.00 -4.58 8.08 5.03 -1.26 -2.00 115.26 123.76 1pw5 n ASN 45 Ca -0.15 -0.22 -0.42 0.00 0.87 0.00 0.00 54.58 54.66 1pw5 n ASN 45 Cb 0.58 -0.25 -0.02 0.00 -1.02 0.00 0.00 39.78 39.06 1pw5 n ASN 45 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1pw5 s ASN 46 N -2.51 6.25 -0.32 6.41 3.04 -1.26 -4.56 114.94 121.99 1pw5 s ASN 46 Ca 0.30 0.35 0.09 0.00 0.04 0.00 0.00 52.86 53.63 1pw5 s ASN 46 Cb 0.20 -2.55 0.73 0.00 -1.54 0.00 0.00 41.25 38.09 1pw5 s ASN 46 CO 0.43 -1.60 1.78 -1.54 -3.04 0.00 0.00 177.10 173.13 1pw5 n SER 47 N 9.15 4.77 -0.03 -4.21 3.41 -1.26 -4.25 113.62 121.20 1pw5 n SER 47 Ca 0.12 -3.17 0.13 0.00 -0.26 0.00 0.00 58.87 55.69 1pw5 n SER 47 Cb 0.49 -0.74 0.48 0.00 -0.26 0.00 0.00 64.21 64.17 1pw5 n SER 47 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pw5 n SER 48 N -0.12 0.31 -4.11 4.04 3.41 -1.26 -4.29 113.62 111.60 1pw5 n SER 48 Ca 0.40 -0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.87 1pw5 n SER 48 Cb 1.37 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 65.10 1pw5 n SER 48 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pw5 s LEU 49 N -2.87 2.05 0.26 1.04 1.43 -1.26 -4.51 118.68 114.82 1pw5 s LEU 49 Ca 0.17 -1.10 0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1pw5 s LEU 49 Cb 0.19 0.29 -0.03 0.00 0.03 0.00 0.00 46.19 46.67 1pw5 s LEU 49 CO 0.58 -0.68 0.32 -0.83 0.23 0.00 0.00 176.35 175.98 1pw5 s GLY 50 N -2.99 1.32 0.09 -3.19 0.00 -1.26 -4.80 107.32 96.50 1pw5 s GLY 50 Ca 0.16 -1.32 -0.18 0.00 0.00 0.00 0.00 44.72 43.38 1pw5 s GLY 50 CO -0.03 -1.33 1.06 0.00 0.00 0.00 0.00 173.10 172.80 1pw5 n ALA 51 N -1.37 -0.38 -0.34 3.20 0.00 -1.26 0.25 120.51 120.61 1pw5 n ALA 51 Ca -0.08 0.50 0.21 0.00 0.00 0.00 0.00 53.44 54.08 1pw5 n ALA 51 Cb 0.57 -0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.46 1pw5 n ALA 51 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1pw5 h GLN 52 N 0.00 0.43 -0.72 0.00 1.08 -1.91 0.45 115.11 114.43 1pw5 h GLN 52 Ca 0.09 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.35 1pw5 h GLN 52 Cb 0.24 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 1pw5 h GLN 52 CO -0.55 0.28 0.47 -0.44 -0.95 0.00 0.00 178.83 177.64 1pw5 h ASP 53 N 0.44 0.61 0.05 1.46 3.32 -0.58 -0.78 116.42 120.93 1pw5 h ASP 53 Ca 0.69 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.60 1pw5 h ASP 53 Cb 1.47 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.92 1pw5 h ASP 53 CO -0.54 0.38 -0.62 1.88 -1.72 0.00 0.00 179.24 178.61 1pw5 h TYR 54 N 0.69 0.54 -0.82 4.55 -1.99 -0.08 -2.72 116.97 117.14 1pw5 h TYR 54 Ca 0.32 -0.33 0.19 0.00 2.00 0.00 0.00 58.73 60.91 1pw5 h TYR 54 Cb 0.36 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 38.99 1pw5 h TYR 54 CO -0.00 1.18 0.55 0.28 -0.00 0.00 0.00 178.16 180.17 1pw5 h VAL 55 N -0.26 0.71 0.35 -2.88 2.07 -0.57 0.22 116.25 115.89 1pw5 h VAL 55 Ca -0.09 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1pw5 h VAL 55 Cb 1.39 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1pw5 h VAL 55 CO 0.12 0.06 -0.17 -0.09 0.02 0.00 0.00 177.57 177.51 1pw5 h ARG 56 N 0.33 -0.45 -1.00 1.57 9.65 -1.17 -2.68 114.38 120.63 1pw5 h ARG 56 Ca 0.41 0.03 0.22 0.00 -1.10 0.00 0.00 59.98 59.54 1pw5 h ARG 56 Cb 1.10 0.10 -0.10 0.00 -1.39 0.00 0.00 29.97 29.68 1pw5 h ARG 56 CO -0.12 -0.14 0.62 -0.22 2.80 0.00 0.00 179.97 182.91 1pw5 h LYS 57 N -0.96 0.57 -0.09 0.20 3.64 -0.71 0.31 116.57 119.54 1pw5 h LYS 57 Ca -0.05 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1pw5 h LYS 57 Cb 0.52 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1pw5 h LYS 57 CO 0.08 0.38 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.53 1pw5 h LEU 58 N 0.59 0.18 -0.46 5.20 3.38 -0.67 -3.24 115.31 120.29 1pw5 h LEU 58 Ca 0.57 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1pw5 h LEU 58 Cb 1.14 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1pw5 h LEU 58 CO -0.34 0.54 0.02 -0.09 0.09 0.00 0.00 178.44 178.66 1pw5 h ARG 59 N -0.18 0.79 -1.99 1.13 2.43 -0.92 -1.24 114.38 114.40 1pw5 h ARG 59 Ca 0.02 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1pw5 h ARG 59 Cb 0.47 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1pw5 h ARG 59 CO 0.01 0.84 0.00 -1.71 -1.51 0.00 0.00 179.97 177.61 1pw5 n ASN 60 N -4.39 0.03 -0.39 -3.80 2.85 1.00 -3.60 115.26 106.96 1pw5 n ASN 60 Ca 0.00 -0.25 0.04 0.00 -0.11 0.00 0.00 54.58 54.26 1pw5 n ASN 60 Cb 0.29 -0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.36 1pw5 n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1pw5 n GLY 62 N 1.24 2.19 2.94 8.20 0.00 -0.67 -5.07 105.19 114.02 1pw5 n GLY 62 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1pw5 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pw5 s VAL 63 N -1.10 1.78 0.02 1.61 1.01 -0.56 -5.09 120.40 118.07 1pw5 s VAL 63 Ca 0.14 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 1pw5 s VAL 63 Cb 0.12 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 1pw5 s VAL 63 CO 0.00 -0.43 1.32 -0.62 0.00 0.00 0.00 175.10 175.37 1pw5 s ASP 64 N 1.20 6.93 -0.13 3.32 2.15 -1.26 -2.92 116.67 125.95 1pw5 s ASP 64 Ca 0.04 2.07 -0.20 0.00 0.43 0.00 0.00 52.55 54.90 1pw5 s ASP 64 Cb -0.19 -2.57 0.05 0.00 -0.30 0.00 0.00 42.92 39.91 1pw5 s ASP 64 CO -0.11 -0.63 0.50 0.54 -0.17 0.00 0.00 175.17 175.30 1pw5 s VAL 65 N 1.88 0.01 1.25 1.11 0.11 -1.26 -5.05 120.40 118.45 1pw5 s VAL 65 Ca 0.61 -0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 59.39 1pw5 s VAL 65 Cb -0.31 -0.75 0.27 0.00 -1.53 0.00 0.00 36.38 34.07 1pw5 s VAL 65 CO 0.27 -0.05 0.69 -0.81 -3.33 0.00 0.00 175.10 171.86 1pw5 n PRO 66 N 2.17 -3.09 0.04 1.54 -0.04 -1.26 -4.95 135.00 129.42 1pw5 n PRO 66 Ca -0.16 -0.90 -0.08 0.00 -0.04 0.00 0.00 63.50 62.32 1pw5 n PRO 66 Cb 0.56 -1.91 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 1pw5 n PRO 66 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1pw5 h ASP 67 N -2.89 0.04 0.19 3.54 5.19 -2.00 -3.25 116.42 117.25 1pw5 h ASP 67 Ca -0.50 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 1pw5 h ASP 67 Cb 1.27 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1pw5 h ASP 67 CO 0.36 1.04 -0.00 -0.90 -3.12 0.00 0.00 179.24 176.62 1pw5 n ASP 68 N -3.28 0.06 0.26 6.45 3.85 -1.26 -3.78 116.55 118.86 1pw5 n ASP 68 Ca -0.06 -0.73 0.14 0.00 -0.71 0.00 0.00 54.79 53.42 1pw5 n ASP 68 Cb 0.98 -0.09 0.70 0.00 -1.35 0.00 0.00 41.12 41.36 1pw5 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1pw5 h ALA 69 N 3.82 1.13 -3.62 2.12 0.00 -1.90 -3.43 119.26 117.37 1pw5 h ALA 69 Ca 0.00 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 54.14 1pw5 h ALA 69 Cb 0.11 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.72 1pw5 h ALA 69 CO 0.00 0.14 -0.72 0.08 0.00 0.00 0.00 179.25 178.75 1pw5 s VAL 70 N -3.94 3.50 0.00 0.00 1.01 -1.25 0.53 120.40 120.26 1pw5 s VAL 70 Ca -0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1pw5 s VAL 70 Cb 0.11 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1pw5 s VAL 70 CO 0.57 0.29 0.00 -0.69 0.00 0.00 0.00 175.10 175.27 1pw5 s VAL 71 N -1.07 0.05 0.17 2.92 1.01 -0.60 -4.87 120.40 118.01 1pw5 s VAL 71 Ca 0.19 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1pw5 s VAL 71 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1pw5 s VAL 71 CO 0.10 -0.23 -0.14 -0.89 0.00 0.00 0.00 175.10 173.94 1pw5 s THR 72 N -0.69 1.54 -0.32 3.92 2.01 -1.26 -2.25 115.64 118.59 1pw5 s THR 72 Ca -0.08 -2.04 0.17 0.00 0.31 0.00 0.00 61.69 60.06 1pw5 s THR 72 Cb -0.05 -1.87 0.17 0.00 0.01 0.00 0.00 72.50 70.77 1pw5 s THR 72 CO -0.00 -0.55 1.53 -1.54 -0.69 0.00 0.00 174.62 173.36 1pw5 n SER 73 N -0.06 0.45 0.08 3.53 3.41 -0.84 -1.49 113.62 118.70 1pw5 n SER 73 Ca -0.11 0.70 -0.03 0.00 -0.26 0.00 0.00 58.87 59.17 1pw5 n SER 73 Cb 0.59 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 1pw5 n SER 73 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1pw5 h GLY 74 N 0.00 -0.23 1.47 5.00 0.00 -1.89 -0.88 103.07 106.54 1pw5 h GLY 74 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.48 1pw5 h GLY 74 CO 0.00 -0.08 0.20 1.05 0.00 0.00 0.00 176.54 177.71 1pw5 h GLU 75 N -0.33 0.06 0.29 4.80 9.09 -1.76 -0.58 114.58 126.15 1pw5 h GLU 75 Ca -0.02 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.37 1pw5 h GLU 75 Cb 0.17 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1pw5 h GLU 75 CO 0.04 0.04 -0.14 0.82 0.05 0.00 0.00 179.01 179.81 1pw5 h ILE 76 N 0.06 0.73 -0.97 -1.06 1.08 -1.28 -0.85 117.51 115.22 1pw5 h ILE 76 Ca 0.13 -0.55 0.12 0.00 -0.39 0.00 0.00 64.86 64.17 1pw5 h ILE 76 Cb 0.45 1.02 -0.08 0.00 -3.07 0.00 0.00 36.82 35.15 1pw5 h ILE 76 CO -0.01 0.11 0.62 0.74 -0.69 0.00 0.00 178.15 178.92 1pw5 h THR 77 N -0.70 0.93 0.19 -0.27 2.02 -0.35 -0.24 112.91 114.48 1pw5 h THR 77 Ca -0.04 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1pw5 h THR 77 Cb 0.48 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1pw5 h THR 77 CO 0.07 0.17 -0.09 0.00 0.37 0.00 0.00 175.52 176.04 1pw5 h ALA 78 N 1.54 -0.83 -0.96 6.16 0.00 -1.03 -3.25 119.26 120.89 1pw5 h ALA 78 Ca 0.47 -0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.63 1pw5 h ALA 78 Cb 0.48 0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.21 1pw5 h ALA 78 CO -0.24 -0.82 0.38 1.49 0.00 0.00 0.00 179.25 180.06 1pw5 h GLU 79 N -0.31 0.18 -1.35 0.00 4.22 -0.95 -1.34 114.58 115.03 1pw5 h GLU 79 Ca -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1pw5 h GLU 79 Cb 0.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1pw5 h GLU 79 CO 0.04 0.12 0.00 1.58 -2.18 0.00 0.00 179.01 178.57 1pw5 n HIS 80 N -5.21 0.00 0.00 0.92 -0.00 -0.12 -1.03 115.22 109.78 1pw5 n HIS 80 Ca 0.28 -0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.33 1pw5 n HIS 80 Cb 0.91 -0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.66 1pw5 n HIS 80 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1pw5 n LEU 82 N 0.71 0.00 0.01 0.27 7.94 -0.51 -1.96 117.00 123.46 1pw5 n LEU 82 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 1pw5 n LEU 82 Cb 0.15 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.05 1pw5 n LEU 82 CO 0.00 0.00 0.84 0.50 -1.11 0.00 0.00 177.39 177.62 1pw5 h LYS 83 N 0.00 -0.03 -0.24 1.96 1.63 -1.33 -1.72 116.57 116.84 1pw5 h LYS 83 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pw5 h LYS 83 Cb 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1pw5 h LYS 83 CO 0.00 -0.02 0.00 0.54 -3.45 0.00 0.00 179.45 176.52 1pw5 n ARG 84 N -5.17 2.00 0.00 1.90 1.74 -0.83 -4.67 116.66 111.64 1pw5 n ARG 84 Ca -0.05 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.27 1pw5 n ARG 84 Cb 0.10 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1pw5 n ARG 84 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1pw5 n PHE 85 N 0.67 0.00 -3.77 -1.55 0.99 -1.24 -5.16 117.46 107.39 1pw5 n PHE 85 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 1pw5 n PHE 85 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.87 1pw5 n PHE 85 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pw5 n GLY 86 N 0.23 -2.04 3.60 1.37 0.00 -0.65 -4.77 105.19 102.93 1pw5 n GLY 86 Ca 0.00 -1.46 -0.51 0.00 0.00 0.00 0.00 46.02 44.05 1pw5 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pw5 n ARG 87 N 0.00 1.54 -4.17 1.61 3.00 -1.26 -4.24 116.66 113.13 1pw5 n ARG 87 Ca 0.00 0.52 -0.27 0.00 -0.01 0.00 0.00 57.85 58.08 1pw5 n ARG 87 Cb 0.00 -2.49 -0.07 0.00 0.00 0.00 0.00 32.46 29.89 1pw5 n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pw5 s ARG 89 N -2.84 2.92 0.18 0.00 0.52 -1.26 0.08 118.95 118.56 1pw5 s ARG 89 Ca 0.28 -1.08 0.10 0.00 -0.52 0.00 0.00 55.73 54.50 1pw5 s ARG 89 Cb -0.10 -3.93 -0.04 0.00 0.52 0.00 0.00 34.95 31.40 1pw5 s ARG 89 CO 0.19 -0.77 -0.21 0.96 0.02 0.00 0.00 175.30 175.49 1pw5 s ILE 90 N 1.64 2.07 -0.39 1.52 -4.36 0.51 -0.22 121.20 121.98 1pw5 s ILE 90 Ca 0.04 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.31 1pw5 s ILE 90 Cb -0.20 -1.99 0.03 0.00 1.25 0.00 0.00 42.46 41.56 1pw5 s ILE 90 CO 0.09 -0.25 0.23 0.12 0.24 0.00 0.00 174.94 175.37 1pw5 s PHE 91 N -1.95 3.25 -0.27 1.37 5.36 0.12 -1.75 117.98 124.12 1pw5 s PHE 91 Ca 0.19 -0.95 -0.16 0.00 -0.96 0.00 0.00 56.93 55.05 1pw5 s PHE 91 Cb -0.06 -2.50 -0.03 0.00 -0.34 0.00 0.00 43.02 40.08 1pw5 s PHE 91 CO 0.08 -0.66 0.42 -1.17 -1.46 0.00 0.00 175.22 172.44 1pw5 s LEU 92 N 1.57 4.06 -1.09 6.12 2.96 -1.26 -1.14 118.68 129.89 1pw5 s LEU 92 Ca 0.02 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1pw5 s LEU 92 Cb -0.19 -2.50 0.29 0.00 0.50 0.00 0.00 46.19 44.29 1pw5 s LEU 92 CO 0.07 -0.23 1.68 -0.11 -1.32 0.00 0.00 176.35 176.45 1pw5 n LEU 93 N 5.41 6.86 0.00 -0.68 7.94 0.96 -4.92 117.00 132.56 1pw5 n LEU 93 Ca -0.07 -5.21 0.00 0.00 -1.11 0.00 0.00 56.01 49.62 1pw5 n LEU 93 Cb 0.50 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1pw5 n LEU 93 CO 0.38 1.81 0.00 0.61 -1.11 0.00 0.00 177.39 179.08 1pw5 n GLY 94 N 1.00 3.71 3.97 -3.96 0.00 -1.26 -1.79 105.19 106.86 1pw5 n GLY 94 Ca 0.36 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 1pw5 n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pw5 s THR 95 N -2.15 4.96 0.33 2.61 -4.23 -1.26 -4.71 115.64 111.18 1pw5 s THR 95 Ca 0.00 -1.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.62 1pw5 s THR 95 Cb 0.00 -3.75 0.34 0.00 1.34 0.00 0.00 72.50 70.43 1pw5 s THR 95 CO 0.00 -0.29 1.63 -0.65 -0.54 0.00 0.00 174.62 174.77 1pw5 h PRO 96 N 1.11 0.17 -0.50 3.99 0.11 -1.99 0.28 132.00 135.17 1pw5 h PRO 96 Ca -0.50 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1pw5 h PRO 96 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1pw5 h PRO 96 CO 0.59 0.12 -0.19 1.96 -0.21 0.00 0.00 178.00 180.27 1pw5 h GLN 97 N 0.18 1.02 -0.49 1.05 7.50 -1.95 -2.17 115.11 120.24 1pw5 h GLN 97 Ca 0.68 -0.42 -0.08 0.00 0.50 0.00 0.00 58.65 59.34 1pw5 h GLN 97 Cb 1.56 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 29.03 1pw5 h GLN 97 CO -0.70 1.10 -0.01 1.25 -1.50 0.00 0.00 178.83 178.98 1pw5 h LEU 98 N 0.88 0.80 0.50 1.46 5.85 -0.75 -2.69 115.31 121.35 1pw5 h LEU 98 Ca 0.12 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1pw5 h LEU 98 Cb 0.77 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1pw5 h LEU 98 CO 0.06 0.87 -0.26 0.50 -0.34 0.00 0.00 178.44 179.27 1pw5 h LYS 99 N 0.77 -0.68 -1.01 1.25 3.64 -0.93 -1.97 116.57 117.64 1pw5 h LYS 99 Ca 0.15 0.05 0.25 0.00 -1.27 0.00 0.00 60.65 59.82 1pw5 h LYS 99 Cb 0.48 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.36 1pw5 h LYS 99 CO 0.02 -0.45 0.65 0.87 -2.27 0.00 0.00 179.45 178.27 1pw5 h LYS 100 N -0.70 0.41 -0.00 1.90 1.57 -1.27 0.12 116.57 118.59 1pw5 h LYS 100 Ca -0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1pw5 h LYS 100 Cb 0.55 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1pw5 h LYS 100 CO 0.09 0.27 0.00 0.28 -0.57 0.00 0.00 179.45 179.52 1pw5 h VAL 101 N 0.42 1.05 -0.11 0.50 2.07 -1.05 -0.40 116.25 118.73 1pw5 h VAL 101 Ca 0.56 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.86 1pw5 h VAL 101 Cb 1.39 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1pw5 h VAL 101 CO -0.27 0.04 -0.26 -0.26 0.02 0.00 0.00 177.57 176.84 1pw5 h PHE 102 N -0.06 0.22 -0.41 1.57 -1.00 -0.25 -2.89 116.94 114.12 1pw5 h PHE 102 Ca 0.00 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.62 1pw5 h PHE 102 Cb 0.06 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1pw5 h PHE 102 CO -0.06 0.45 -0.20 0.93 -1.61 0.00 0.00 178.31 177.82 1pw5 h GLU 103 N 0.18 0.87 0.00 1.51 5.08 -0.58 -1.80 114.58 119.84 1pw5 h GLU 103 Ca 0.03 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1pw5 h GLU 103 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1pw5 h GLU 103 CO 0.04 1.03 0.00 0.00 -1.00 0.00 0.00 179.01 179.08 1pw5 h ALA 104 N 0.82 1.00 -0.59 3.43 0.00 -0.86 0.31 119.26 123.37 1pw5 h ALA 104 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1pw5 h ALA 104 Cb 0.77 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1pw5 h ALA 104 CO 0.06 0.00 0.16 0.66 0.00 0.00 0.00 179.25 180.13 1pw5 n TYR 105 N -2.97 2.00 -0.91 0.00 4.02 -0.92 -4.89 117.16 113.49 1pw5 n TYR 105 Ca -0.03 -0.90 0.00 0.00 -0.01 0.00 0.00 57.90 56.96 1pw5 n TYR 105 Cb 0.08 -0.56 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 1pw5 n TYR 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pw5 n GLY 106 N 0.13 0.32 3.86 2.72 0.00 0.11 -4.76 105.19 107.57 1pw5 n GLY 106 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1pw5 n GLY 106 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pw5 s HIS 107 N -1.81 3.30 0.00 1.61 3.76 -0.72 -4.48 115.29 116.95 1pw5 s HIS 107 Ca 0.00 1.14 0.03 0.00 -0.15 0.00 0.00 55.06 56.08 1pw5 s HIS 107 Cb 0.00 -2.99 -0.01 0.00 1.11 0.00 0.00 32.58 30.69 1pw5 s HIS 107 CO 0.00 -1.17 -0.09 0.08 -0.85 0.00 0.00 174.74 172.70 1pw5 s VAL 108 N -3.27 0.74 -0.28 -0.90 1.01 0.11 -4.26 120.40 113.55 1pw5 s VAL 108 Ca 0.58 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1pw5 s VAL 108 Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1pw5 s VAL 108 CO 0.53 0.14 0.33 -0.63 0.00 0.00 0.00 175.10 175.47 1pw5 s ILE 109 N -0.35 5.21 -0.39 2.22 1.01 -1.26 -0.36 121.20 127.28 1pw5 s ILE 109 Ca 0.02 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.14 1pw5 s ILE 109 Cb -0.04 -3.67 0.11 0.00 0.01 0.00 0.00 42.46 38.88 1pw5 s ILE 109 CO -0.00 0.16 0.14 -0.62 0.00 0.00 0.00 174.94 174.63 1pw5 s ASP 110 N 1.68 4.24 0.45 3.58 -1.08 -0.72 -4.90 116.67 119.92 1pw5 s ASP 110 Ca 0.13 -2.29 0.12 0.00 -0.52 0.00 0.00 52.55 49.99 1pw5 s ASP 110 Cb -0.16 -1.30 1.02 0.00 -1.46 0.00 0.00 42.92 41.02 1pw5 s ASP 110 CO 0.10 -0.34 2.05 -0.08 0.52 0.00 0.00 175.17 177.43 1pw5 h GLU 111 N 7.32 0.18 0.00 4.34 4.57 -1.95 -3.24 114.58 125.81 1pw5 h GLU 111 Ca -0.07 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1pw5 h GLU 111 Cb 0.97 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1pw5 h GLU 111 CO 0.53 0.20 0.00 0.39 -1.18 0.00 0.00 179.01 178.95 1pw5 n GLU 112 N -4.43 0.00 -3.91 1.92 -0.58 -1.26 -4.68 120.64 107.70 1pw5 n GLU 112 Ca -0.01 0.16 -0.30 0.00 -0.42 0.00 0.00 57.16 56.59 1pw5 n GLU 112 Cb 0.15 -1.01 -0.14 0.00 -0.57 0.00 0.00 31.44 29.87 1pw5 n GLU 112 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pw5 s ASN 113 N -1.90 4.23 0.29 1.62 4.22 -1.25 -5.10 114.94 117.05 1pw5 s ASN 113 Ca 0.00 -2.99 0.06 0.00 -2.14 0.00 0.00 52.86 47.79 1pw5 s ASN 113 Cb 0.00 -1.55 -0.02 0.00 1.28 0.00 0.00 41.25 40.96 1pw5 s ASN 113 CO 0.00 -0.23 0.35 -2.16 -2.04 0.00 0.00 177.10 173.02 1pw5 s PRO 114 N -0.25 3.12 -0.18 3.55 0.04 -1.22 -4.87 135.00 135.20 1pw5 s PRO 114 Ca 0.17 -0.98 0.14 0.00 0.04 0.00 0.00 61.00 60.38 1pw5 s PRO 114 Cb -0.25 -2.73 -0.21 0.00 0.04 0.00 0.00 34.50 31.35 1pw5 s PRO 114 CO -0.01 0.26 0.04 -0.25 0.04 0.00 0.00 177.00 177.08 1pw5 n ASP 115 N -1.42 0.84 -4.30 6.66 8.00 0.70 -4.98 116.55 122.03 1pw5 n ASP 115 Ca -0.05 -0.01 -0.25 0.00 0.71 0.00 0.00 54.79 55.19 1pw5 n ASP 115 Cb 0.58 0.83 -0.13 0.00 -0.02 0.00 0.00 41.12 42.38 1pw5 n ASP 115 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pw5 s PHE 116 N -2.42 1.88 -0.32 1.24 0.40 -1.12 -1.72 117.98 115.92 1pw5 s PHE 116 Ca -0.10 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 55.77 1pw5 s PHE 116 Cb 0.05 -1.03 0.04 0.00 0.51 0.00 0.00 43.02 42.59 1pw5 s PHE 116 CO 0.70 0.23 0.06 0.08 0.70 0.00 0.00 175.22 176.99 1pw5 s VAL 117 N -1.15 3.52 -0.17 -0.44 1.01 0.04 0.15 120.40 123.36 1pw5 s VAL 117 Ca 0.08 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 1pw5 s VAL 117 Cb -0.10 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1pw5 s VAL 117 CO 0.05 -0.10 -0.00 -0.69 0.00 0.00 0.00 175.10 174.35 1pw5 s VAL 118 N 1.37 4.19 -0.18 2.92 1.01 -0.29 -1.52 120.40 127.89 1pw5 s VAL 118 Ca -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1pw5 s VAL 118 Cb -0.19 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1pw5 s VAL 118 CO 0.01 0.48 -0.07 -0.22 0.00 0.00 0.00 175.10 175.30 1pw5 s LEU 119 N 0.42 2.89 0.00 3.92 2.96 0.48 -0.03 118.68 129.33 1pw5 s LEU 119 Ca -0.01 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1pw5 s LEU 119 Cb -0.14 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 1pw5 s LEU 119 CO 0.02 0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 1pw5 n GLY 120 N 4.14 4.14 3.42 7.98 0.00 -0.74 -1.10 105.19 123.03 1pw5 n GLY 120 Ca -0.18 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 1pw5 n GLY 120 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pw5 n PHE 121 N -0.04 3.59 -2.13 1.61 -0.00 -1.26 -4.59 117.46 114.65 1pw5 n PHE 121 Ca -0.00 -2.30 -0.30 0.00 -0.00 0.00 0.00 57.45 54.85 1pw5 n PHE 121 Cb 0.02 -2.52 -0.05 0.00 -0.00 0.00 0.00 39.48 36.92 1pw5 n PHE 121 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1pw5 s ASP 122 N 4.91 5.25 0.00 -2.13 -1.08 -1.26 -4.27 116.67 118.09 1pw5 s ASP 122 Ca 0.58 -1.63 0.15 0.00 -0.52 0.00 0.00 52.55 51.13 1pw5 s ASP 122 Cb 0.05 -2.58 0.92 0.00 -1.46 0.00 0.00 42.92 39.84 1pw5 s ASP 122 CO 0.08 -2.82 1.36 0.29 0.52 0.00 0.00 175.17 174.61 1pw5 n LYS 123 N 8.37 0.63 -0.16 4.34 5.02 -1.26 -2.03 118.16 133.07 1pw5 n LYS 123 Ca 0.44 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.82 1pw5 n LYS 123 Cb 0.47 -1.38 0.16 0.00 -0.02 0.00 0.00 35.03 34.25 1pw5 n LYS 123 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pw5 n THR 124 N -0.88 1.91 -1.72 -0.18 -2.24 -1.26 -5.06 114.28 104.84 1pw5 n THR 124 Ca 0.12 -2.07 -0.36 0.00 -2.27 0.00 0.00 64.05 59.46 1pw5 n THR 124 Cb 0.05 -0.18 0.07 0.00 -2.10 0.00 0.00 70.33 68.17 1pw5 n THR 124 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1pw5 s LEU 125 N -2.71 3.55 0.05 3.22 2.96 -0.86 -5.04 118.68 119.84 1pw5 s LEU 125 Ca 0.32 2.57 -0.07 0.00 -0.22 0.00 0.00 54.13 56.73 1pw5 s LEU 125 Cb 0.27 -4.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.34 1pw5 s LEU 125 CO 0.04 -2.01 0.13 0.42 -1.32 0.00 0.00 176.35 173.61 1pw5 s THR 126 N -1.49 0.14 0.21 3.68 -4.23 -1.26 -5.04 115.64 107.64 1pw5 s THR 126 Ca 0.81 -1.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.10 1pw5 s THR 126 Cb -0.36 -1.03 0.16 0.00 1.34 0.00 0.00 72.50 72.61 1pw5 s THR 126 CO 0.40 -0.62 1.72 0.22 -0.54 0.00 0.00 174.62 175.80 1pw5 h TYR 127 N 3.40 0.28 -0.03 3.99 3.20 -1.99 -2.05 116.97 123.77 1pw5 h TYR 127 Ca -0.33 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.60 1pw5 h TYR 127 Cb 1.19 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 1pw5 h TYR 127 CO 0.51 0.01 -0.10 0.93 -1.64 0.00 0.00 178.16 177.87 1pw5 h GLU 128 N 0.31 -0.15 -0.83 1.82 4.39 -1.98 0.19 114.58 118.32 1pw5 h GLU 128 Ca 0.32 0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.20 1pw5 h GLU 128 Cb 0.45 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 1pw5 h GLU 128 CO -0.37 -0.10 0.55 0.00 -1.16 0.00 0.00 179.01 177.93 1pw5 h ARG 129 N -0.16 0.41 -0.12 2.33 2.47 -1.83 0.33 114.38 117.81 1pw5 h ARG 129 Ca 0.05 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.64 1pw5 h ARG 129 Cb 0.22 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1pw5 h ARG 129 CO -0.12 0.27 -0.32 1.25 0.56 0.00 0.00 179.97 181.62 1pw5 h LEU 130 N 0.43 0.49 -0.35 3.04 5.85 -0.60 -2.00 115.31 122.16 1pw5 h LEU 130 Ca 0.42 -0.59 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1pw5 h LEU 130 Cb 0.99 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1pw5 h LEU 130 CO -0.15 0.99 0.19 0.50 -0.34 0.00 0.00 178.44 179.63 1pw5 h LYS 131 N 0.01 0.38 0.10 1.25 3.11 0.13 -0.04 116.57 121.51 1pw5 h LYS 131 Ca -0.01 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1pw5 h LYS 131 Cb 0.93 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.07 1pw5 h LYS 131 CO 0.07 0.25 -0.05 0.87 -2.81 0.00 0.00 179.45 177.78 1pw5 h LYS 132 N 0.39 -0.14 -0.74 1.90 1.57 -0.45 -1.64 116.57 117.46 1pw5 h LYS 132 Ca 0.14 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.05 1pw5 h LYS 132 Cb 0.04 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 1pw5 h LYS 132 CO -0.09 -0.03 0.36 0.00 -0.57 0.00 0.00 179.45 179.12 1pw5 h ALA 133 N 0.68 1.05 -0.63 3.86 0.00 -1.09 0.62 119.26 123.75 1pw5 h ALA 133 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1pw5 h ALA 133 Cb 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1pw5 h ALA 133 CO 0.02 -0.09 0.26 0.00 0.00 0.00 0.00 179.25 179.44 1pw5 h ILE 135 N 0.88 0.85 -0.96 0.00 2.04 -0.36 -0.84 117.51 119.12 1pw5 h ILE 135 Ca 0.21 -0.47 0.20 0.00 1.00 0.00 0.00 64.86 65.81 1pw5 h ILE 135 Cb 0.19 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 1pw5 h ILE 135 CO -0.02 0.10 0.61 -0.07 0.00 0.00 0.00 178.15 178.78 1pw5 h LEU 136 N -0.53 0.57 -0.54 1.44 3.38 -0.78 0.68 115.31 119.53 1pw5 h LEU 136 Ca -0.03 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1pw5 h LEU 136 Cb 0.40 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1pw5 h LEU 136 CO 0.05 0.21 -0.28 -0.07 0.09 0.00 0.00 178.44 178.45 1pw5 h LEU 137 N 0.56 0.92 0.00 1.67 3.38 -0.62 -1.89 115.31 119.33 1pw5 h LEU 137 Ca 0.52 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1pw5 h LEU 137 Cb 1.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1pw5 h LEU 137 CO -0.27 1.13 0.00 0.54 0.09 0.00 0.00 178.44 179.94 1pw5 n ARG 138 N -4.09 0.13 -0.46 1.13 1.74 0.17 0.33 116.66 115.62 1pw5 n ARG 138 Ca -0.01 0.19 0.09 0.00 -0.77 0.00 0.00 57.85 57.35 1pw5 n ARG 138 Cb 0.48 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.72 1pw5 n ARG 138 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pw5 n LYS 139 N -1.36 3.03 -3.41 5.56 5.02 -0.72 -4.96 118.16 121.32 1pw5 n LYS 139 Ca 0.06 -2.41 -0.19 0.00 -2.02 0.00 0.00 58.31 53.75 1pw5 n LYS 139 Cb 0.13 -1.69 0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1pw5 n LYS 139 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pw5 n GLY 140 N 1.22 -0.93 3.91 0.72 0.00 0.15 -5.01 105.19 105.25 1pw5 n GLY 140 Ca 0.22 0.45 -0.29 0.00 0.00 0.00 0.00 46.02 46.40 1pw5 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pw5 s LYS 141 N -5.02 3.60 0.21 1.61 -0.14 -1.19 -5.02 119.74 113.79 1pw5 s LYS 141 Ca 0.35 -0.13 -0.31 0.00 -1.36 0.00 0.00 55.97 54.52 1pw5 s LYS 141 Cb -0.07 -2.76 -0.11 0.00 -1.68 0.00 0.00 37.83 33.21 1pw5 s LYS 141 CO 0.77 0.34 1.61 0.12 -0.76 0.00 0.00 175.35 177.44 1pw5 s PHE 142 N -1.90 2.95 -0.30 3.18 5.36 -0.70 -4.76 117.98 121.81 1pw5 s PHE 142 Ca 0.41 0.59 -0.07 0.00 -0.96 0.00 0.00 56.93 56.91 1pw5 s PHE 142 Cb -0.11 -4.01 0.01 0.00 -0.34 0.00 0.00 43.02 38.57 1pw5 s PHE 142 CO 0.28 -3.69 0.09 -0.47 -1.46 0.00 0.00 175.22 169.97 1pw5 s TYR 143 N 0.84 3.16 -0.02 10.12 5.04 -1.26 -0.78 117.35 134.45 1pw5 s TYR 143 Ca 0.69 -1.00 0.05 0.00 -2.44 0.00 0.00 57.07 54.38 1pw5 s TYR 143 Cb -0.46 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.57 1pw5 s TYR 143 CO 0.35 -0.58 -0.18 0.42 -1.34 0.00 0.00 175.55 174.22 1pw5 s ILE 144 N 1.50 1.41 -0.04 3.14 1.01 -0.58 0.70 121.20 128.35 1pw5 s ILE 144 Ca 0.02 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.99 1pw5 s ILE 144 Cb -0.17 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1pw5 s ILE 144 CO 0.03 0.40 -0.25 0.00 0.00 0.00 0.00 174.94 175.12 1pw5 s ALA 145 N -0.30 2.12 0.18 9.38 0.00 -0.11 -0.38 121.76 132.63 1pw5 s ALA 145 Ca 0.04 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 1pw5 s ALA 145 Cb -0.08 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.51 1pw5 s ALA 145 CO 0.00 0.46 1.69 1.79 0.00 0.00 0.00 175.76 179.70 1pw5 h THR 146 N 4.83 1.25 -3.57 0.00 1.35 -1.41 -2.85 112.91 112.51 1pw5 h THR 146 Ca -0.36 -0.90 -0.06 0.00 -0.55 0.00 0.00 66.41 64.53 1pw5 h THR 146 Cb 1.15 0.67 -0.13 0.00 -1.73 0.00 0.00 68.15 68.11 1pw5 h THR 146 CO 0.47 0.34 -0.18 -1.38 -0.25 0.00 0.00 175.52 174.52 1pw5 s HIS 147 N -5.33 0.00 -0.17 4.73 -3.43 -1.26 0.22 115.29 110.06 1pw5 s HIS 147 Ca -0.12 -0.36 0.21 0.00 -0.80 0.00 0.00 55.06 53.98 1pw5 s HIS 147 Cb 0.13 0.14 -0.11 0.00 -1.43 0.00 0.00 32.58 31.32 1pw5 s HIS 147 CO 0.82 -0.70 0.84 -0.35 -2.00 0.00 0.00 174.74 173.36 1pw5 n PRO 148 N -0.20 0.62 -1.13 -0.38 -0.04 -1.26 -4.57 135.00 128.03 1pw5 n PRO 148 Ca -0.13 0.09 -0.45 0.00 -0.04 0.00 0.00 63.50 62.96 1pw5 n PRO 148 Cb 0.63 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1pw5 n PRO 148 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pw5 n ASP 149 N -2.67 0.77 0.28 3.54 8.00 -1.26 -3.50 116.55 121.72 1pw5 n ASP 149 Ca -0.05 0.75 -0.12 0.00 0.71 0.00 0.00 54.79 56.09 1pw5 n ASP 149 Cb 0.66 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1pw5 n ASP 149 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1pw5 h ILE 150 N 3.62 0.00 -1.79 0.53 1.08 -1.90 0.38 117.51 119.44 1pw5 h ILE 150 Ca -0.26 -0.42 -0.55 0.00 -0.39 0.00 0.00 64.86 63.23 1pw5 h ILE 150 Cb 0.94 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.61 1pw5 h ILE 150 CO 0.68 0.00 -0.53 0.20 -0.69 0.00 0.00 178.15 177.81 1pw5 s ASN 151 N -4.63 4.56 -0.06 1.72 0.01 -1.26 -0.15 114.94 115.13 1pw5 s ASN 151 Ca -0.11 -0.89 0.02 0.00 -0.71 0.00 0.00 52.86 51.17 1pw5 s ASN 151 Cb 0.01 -0.62 0.01 0.00 0.41 0.00 0.00 41.25 41.06 1pw5 s ASN 151 CO 0.34 -0.38 -0.12 0.00 -1.51 0.00 0.00 177.10 175.44 1pw5 s PRO 153 N 0.70 4.06 0.34 0.00 0.04 -1.26 -1.25 135.00 137.63 1pw5 s PRO 153 Ca -0.14 2.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.91 1pw5 s PRO 153 Cb -0.16 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1pw5 s PRO 153 CO 0.03 -0.38 0.54 -1.54 0.04 0.00 0.00 177.00 175.68 1pw5 s SER 154 N -0.82 0.63 0.20 6.66 1.04 -0.72 -4.91 113.70 115.78 1pw5 s SER 154 Ca 0.55 -1.36 -0.11 0.00 0.48 0.00 0.00 55.95 55.51 1pw5 s SER 154 Cb -0.36 0.69 0.16 0.00 0.10 0.00 0.00 66.02 66.61 1pw5 s SER 154 CO 0.46 -1.36 1.83 0.11 0.98 0.00 0.00 173.24 175.27 1pw5 h LYS 155 N 2.11 0.73 -0.21 4.02 1.57 -2.02 0.34 116.57 123.11 1pw5 h LYS 155 Ca -0.29 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1pw5 h LYS 155 Cb 1.24 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1pw5 h LYS 155 CO 0.39 0.48 0.00 0.39 -0.57 0.00 0.00 179.45 180.14 1pw5 n GLU 156 N -4.72 1.46 0.00 3.15 1.02 -1.26 -5.02 120.64 115.26 1pw5 n GLU 156 Ca 0.06 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 1pw5 n GLU 156 Cb 0.09 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1pw5 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pw5 n GLY 157 N 0.79 -1.72 3.70 0.62 0.00 0.11 -4.95 105.19 103.74 1pw5 n GLY 157 Ca 0.06 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1pw5 n GLY 157 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pw5 s PRO 158 N 0.00 4.16 0.06 1.61 0.02 -1.26 -1.76 135.00 137.84 1pw5 s PRO 158 Ca 0.00 2.49 0.05 0.00 0.02 0.00 0.00 61.00 63.56 1pw5 s PRO 158 Cb 0.00 -3.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 1pw5 s PRO 158 CO 0.00 -0.77 -0.14 0.14 -0.33 0.00 0.00 177.00 175.90 1pw5 s VAL 159 N 2.35 1.13 0.17 3.83 -7.23 -0.38 -4.91 120.40 115.35 1pw5 s VAL 159 Ca 0.77 -1.21 -0.33 0.00 -1.81 0.00 0.00 61.98 59.40 1pw5 s VAL 159 Cb -0.44 -1.06 -0.16 0.00 0.56 0.00 0.00 36.38 35.28 1pw5 s VAL 159 CO 0.34 -0.14 1.10 -2.65 -0.31 0.00 0.00 175.10 173.44 1pw5 n PRO 160 N 1.48 1.02 -1.21 4.82 -0.02 -1.26 -0.02 135.00 139.80 1pw5 n PRO 160 Ca -0.20 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1pw5 n PRO 160 Cb 0.54 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1pw5 n PRO 160 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1pw5 n ASP 161 N 1.93 1.17 -0.26 2.55 -0.08 0.79 -4.64 116.55 118.01 1pw5 n ASP 161 Ca 0.15 -0.61 0.07 0.00 -1.51 0.00 0.00 54.79 52.90 1pw5 n ASP 161 Cb 0.24 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.91 1pw5 n ASP 161 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pw5 h ALA 162 N 1.00 1.07 -0.99 -1.67 0.00 -1.73 -1.12 119.26 115.82 1pw5 h ALA 162 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1pw5 h ALA 162 Cb 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1pw5 h ALA 162 CO 0.00 -0.33 0.64 0.78 0.00 0.00 0.00 179.25 180.34 1pw5 h GLY 163 N 0.31 1.51 1.27 0.00 0.00 -0.26 -2.09 103.07 103.82 1pw5 h GLY 163 Ca 0.45 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1pw5 h GLY 163 CO -0.51 0.32 -0.02 1.76 0.00 0.00 0.00 176.54 178.09 1pw5 h SER 164 N 1.15 0.85 0.00 0.19 0.02 -1.09 -0.42 113.55 114.24 1pw5 h SER 164 Ca 0.43 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1pw5 h SER 164 Cb 0.19 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1pw5 h SER 164 CO -0.18 0.92 0.00 -0.38 -1.14 0.00 0.00 176.83 176.05 1pw5 n ILE 165 N -4.19 0.39 0.00 3.27 5.41 -0.79 -3.21 119.36 120.24 1pw5 n ILE 165 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1pw5 n ILE 165 Cb 0.33 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1pw5 n ILE 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pw5 n ALA 167 N 0.69 0.00 -0.03 -1.39 0.00 -0.17 -1.54 120.51 118.06 1pw5 n ALA 167 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1pw5 n ALA 167 Cb 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.56 1pw5 n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pw5 h ALA 168 N 0.00 0.04 -0.85 0.00 0.00 -1.84 -2.09 119.26 114.52 1pw5 h ALA 168 Ca 0.00 -0.38 0.11 0.00 0.00 0.00 0.00 54.91 54.64 1pw5 h ALA 168 Cb 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1pw5 h ALA 168 CO 0.00 -0.04 0.49 0.82 0.00 0.00 0.00 179.25 180.52 1pw5 h ILE 169 N -0.51 0.88 -0.22 0.00 2.04 -1.61 -1.12 117.51 116.97 1pw5 h ILE 169 Ca -0.01 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.42 1pw5 h ILE 169 Cb 0.79 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1pw5 h ILE 169 CO 0.02 0.14 -0.51 -0.08 0.00 0.00 0.00 178.15 177.73 1pw5 h GLU 170 N 0.79 0.62 0.00 2.37 4.81 -1.66 0.70 114.58 122.22 1pw5 h GLU 170 Ca 0.42 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1pw5 h GLU 170 Cb 0.42 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1pw5 h GLU 170 CO -0.27 0.98 -0.23 0.00 -0.73 0.00 0.00 179.01 178.77 1pw5 h ALA 171 N 0.95 1.20 0.02 2.92 0.00 -0.61 0.47 119.26 124.22 1pw5 h ALA 171 Ca 0.02 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 1pw5 h ALA 171 Cb 1.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1pw5 h ALA 171 CO 0.10 0.28 -1.43 0.45 0.00 0.00 0.00 179.25 178.66 1pw5 n SER 172 N -3.66 1.90 -0.64 0.00 2.88 -0.50 -4.44 113.62 109.15 1pw5 n SER 172 Ca -0.01 0.39 0.12 0.00 -1.33 0.00 0.00 58.87 58.03 1pw5 n SER 172 Cb 0.35 -0.95 0.08 0.00 -0.75 0.00 0.00 64.21 62.95 1pw5 n SER 172 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1pw5 n THR 173 N -4.30 0.00 -0.89 2.46 -2.24 0.22 -4.93 114.28 104.60 1pw5 n THR 173 Ca -0.33 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1pw5 n THR 173 Cb 0.74 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 1pw5 n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pw5 n GLY 174 N 1.38 0.04 3.85 3.38 0.00 0.17 -4.94 105.19 109.06 1pw5 n GLY 174 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1pw5 n GLY 174 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pw5 s ARG 175 N -1.66 3.12 0.16 1.61 3.52 -1.25 -5.00 118.95 119.45 1pw5 s ARG 175 Ca 0.00 -0.69 0.08 0.00 -0.13 0.00 0.00 55.73 54.99 1pw5 s ARG 175 Cb 0.00 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 1pw5 s ARG 175 CO 0.00 0.53 -0.17 0.15 -0.81 0.00 0.00 175.30 175.01 1pw5 s LYS 176 N -2.87 1.21 0.53 5.12 1.02 -1.26 -3.83 119.74 119.67 1pw5 s LYS 176 Ca 0.32 -1.38 -0.19 0.00 0.02 0.00 0.00 55.97 54.74 1pw5 s LYS 176 Cb -0.11 -1.20 -0.10 0.00 -0.52 0.00 0.00 37.83 35.90 1pw5 s LYS 176 CO 0.25 0.24 0.52 -2.30 -0.92 0.00 0.00 175.35 173.14 1pw5 n PRO 177 N 0.30 0.54 0.12 -1.68 -0.02 -1.26 -4.87 135.00 128.13 1pw5 n PRO 177 Ca -0.13 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 1pw5 n PRO 177 Cb 0.57 -1.64 0.03 0.00 -0.02 0.00 0.00 33.50 32.44 1pw5 n PRO 177 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1pw5 h ASP 178 N 0.41 0.00 -4.40 2.55 3.32 -0.12 -3.47 116.42 114.71 1pw5 h ASP 178 Ca -0.44 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1pw5 h ASP 178 Cb 1.40 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.74 1pw5 h ASP 178 CO 0.48 0.00 -0.07 -0.22 -1.72 0.00 0.00 179.24 177.72 1pw5 s LEU 179 N -5.43 0.02 -0.17 1.55 2.96 -1.16 -5.04 118.68 111.40 1pw5 s LEU 179 Ca 0.01 0.78 -0.04 0.00 -0.22 0.00 0.00 54.13 54.66 1pw5 s LEU 179 Cb 0.09 1.86 0.06 0.00 0.50 0.00 0.00 46.19 48.70 1pw5 s LEU 179 CO 0.77 -0.34 0.06 -0.63 -1.32 0.00 0.00 176.35 174.89 1pw5 s ILE 180 N -0.39 0.22 0.13 6.68 1.01 -1.26 -0.94 121.20 126.66 1pw5 s ILE 180 Ca -0.05 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.38 1pw5 s ILE 180 Cb -0.03 -0.77 -0.12 0.00 0.01 0.00 0.00 42.46 41.55 1pw5 s ILE 180 CO 0.04 -0.20 1.40 0.00 0.00 0.00 0.00 174.94 176.17 1pw5 h ALA 181 N 8.33 0.57 -2.38 9.38 0.00 -1.49 -3.44 119.26 130.23 1pw5 h ALA 181 Ca -0.16 -0.75 -0.45 0.00 0.00 0.00 0.00 54.91 53.55 1pw5 h ALA 181 Cb 1.13 -0.13 0.15 0.00 0.00 0.00 0.00 17.79 18.94 1pw5 h ALA 181 CO 0.31 1.03 0.23 0.20 0.00 0.00 0.00 179.25 181.02 1pw5 s GLY 182 N -4.61 1.57 0.39 0.00 0.00 0.13 -4.31 107.32 100.50 1pw5 s GLY 182 Ca 0.01 -0.49 -0.24 0.00 0.00 0.00 0.00 44.72 43.99 1pw5 s GLY 182 CO 0.79 0.13 0.71 0.28 0.00 0.00 0.00 173.10 175.00 1pw5 n LYS 183 N -4.08 0.80 -0.21 2.90 5.02 -1.26 -1.41 118.16 119.91 1pw5 n LYS 183 Ca 0.06 0.29 0.03 0.00 -2.02 0.00 0.00 58.31 56.67 1pw5 n LYS 183 Cb 0.58 -1.64 0.12 0.00 -0.02 0.00 0.00 35.03 34.08 1pw5 n LYS 183 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1pw5 n PRO 184 N 0.51 1.95 -1.77 1.97 -0.04 -1.26 -4.64 135.00 131.72 1pw5 n PRO 184 Ca 0.11 -0.99 -0.42 0.00 -0.04 0.00 0.00 63.50 62.16 1pw5 n PRO 184 Cb 0.38 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 1pw5 n PRO 184 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1pw5 s ASN 185 N -0.64 6.26 0.52 3.54 3.84 -0.50 -4.52 114.94 123.43 1pw5 s ASN 185 Ca 0.18 2.30 0.40 0.00 0.21 0.00 0.00 52.86 55.94 1pw5 s ASN 185 Cb 0.11 -2.53 1.57 0.00 -0.55 0.00 0.00 41.25 39.86 1pw5 s ASN 185 CO 0.09 -1.25 1.67 -0.65 -2.79 0.00 0.00 177.10 174.16 1pw5 h PRO 186 N 11.40 0.04 -0.93 0.43 0.11 -1.87 -2.45 132.00 138.73 1pw5 h PRO 186 Ca -0.44 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.98 1pw5 h PRO 186 Cb 1.22 -0.01 -0.17 0.00 0.11 0.00 0.00 31.00 32.15 1pw5 h PRO 186 CO 0.96 0.03 0.22 -0.11 -0.21 0.00 0.00 178.00 178.89 1pw5 n LEU 187 N -4.23 0.08 -0.07 2.35 7.94 -1.26 0.21 117.00 122.01 1pw5 n LEU 187 Ca 0.36 1.56 -0.07 0.00 -1.11 0.00 0.00 56.01 56.75 1pw5 n LEU 187 Cb 1.58 -0.65 -0.01 0.00 0.53 0.00 0.00 43.42 44.88 1pw5 n LEU 187 CO 0.36 -1.65 0.76 0.58 -1.11 0.00 0.00 177.39 176.34 1pw5 h VAL 188 N 0.00 0.57 -0.59 1.96 2.07 -1.62 0.20 116.25 118.83 1pw5 h VAL 188 Ca 0.66 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 68.13 1pw5 h VAL 188 Cb 1.55 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1pw5 h VAL 188 CO -0.81 0.00 0.19 0.58 0.02 0.00 0.00 177.57 177.55 1pw5 h VAL 189 N -0.10 1.24 0.33 2.57 2.07 -0.49 -0.23 116.25 121.65 1pw5 h VAL 189 Ca 0.15 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1pw5 h VAL 189 Cb 0.32 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1pw5 h VAL 189 CO -0.35 0.31 -0.16 0.44 0.02 0.00 0.00 177.57 177.83 1pw5 h ASP 190 N 0.84 -0.39 -0.44 0.57 3.32 -0.71 0.20 116.42 119.81 1pw5 h ASP 190 Ca 0.19 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1pw5 h ASP 190 Cb 0.29 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1pw5 h ASP 190 CO -0.01 -0.27 0.26 0.58 -1.72 0.00 0.00 179.24 178.08 1pw5 h VAL 191 N -0.45 1.04 -0.32 -1.35 2.07 -0.52 -1.31 116.25 115.42 1pw5 h VAL 191 Ca -0.04 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1pw5 h VAL 191 Cb 0.35 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1pw5 h VAL 191 CO 0.07 0.09 0.10 0.40 0.02 0.00 0.00 177.57 178.26 1pw5 h ILE 192 N 0.52 1.14 0.60 4.57 1.08 -0.82 -0.82 117.51 123.78 1pw5 h ILE 192 Ca 0.18 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 1pw5 h ILE 192 Cb 0.02 0.79 0.01 0.00 -3.07 0.00 0.00 36.82 34.56 1pw5 h ILE 192 CO -0.08 0.17 -0.29 -1.28 -0.69 0.00 0.00 178.15 175.98 1pw5 h SER 193 N 0.45 -0.68 0.29 1.72 0.87 0.39 -2.70 113.55 113.88 1pw5 h SER 193 Ca 0.11 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1pw5 h SER 193 Cb 0.13 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1pw5 h SER 193 CO -0.01 -0.40 -0.43 -0.08 -0.53 0.00 0.00 176.83 175.38 1pw5 h GLU 194 N -0.95 -0.75 -0.39 2.24 4.81 -0.99 0.45 114.58 119.00 1pw5 h GLU 194 Ca -0.08 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1pw5 h GLU 194 Cb 0.66 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1pw5 h GLU 194 CO 0.14 -0.50 0.51 -0.22 -0.73 0.00 0.00 179.01 178.20 1pw5 h LYS 195 N -0.78 0.00 -0.00 1.92 3.11 -1.20 -2.35 116.57 117.27 1pw5 h LYS 195 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1pw5 h LYS 195 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1pw5 h LYS 195 CO -0.15 0.00 -0.02 1.19 -2.81 0.00 0.00 179.45 177.66 1pw5 n PHE 196 N -3.50 0.00 0.00 1.91 3.01 -0.87 -5.03 117.46 112.97 1pw5 n PHE 196 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1pw5 n PHE 196 Cb 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 1pw5 n PHE 196 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pw5 n GLY 197 N 0.45 1.90 3.69 1.37 0.00 0.15 -5.00 105.19 107.75 1pw5 n GLY 197 Ca 0.01 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1pw5 n GLY 197 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pw5 n VAL 198 N 0.00 1.49 -2.21 1.61 3.14 -1.24 -4.85 118.33 116.26 1pw5 n VAL 198 Ca 0.00 -0.37 -0.29 0.00 -2.96 0.00 0.00 64.34 60.71 1pw5 n VAL 198 Cb 0.00 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.23 1pw5 n VAL 198 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pw5 s PRO 199 N -1.16 3.58 0.62 1.45 0.04 -1.26 -4.58 135.00 133.69 1pw5 s PRO 199 Ca 0.61 0.51 0.37 0.00 0.04 0.00 0.00 61.00 62.54 1pw5 s PRO 199 Cb -0.60 -2.21 2.02 0.00 0.04 0.00 0.00 34.50 33.76 1pw5 s PRO 199 CO 0.56 -0.41 2.14 0.87 0.04 0.00 0.00 177.00 180.20 1pw5 h LYS 200 N -0.06 0.00 0.00 4.56 1.57 -1.94 -0.06 116.57 120.64 1pw5 h LYS 200 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pw5 h LYS 200 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1pw5 h LYS 200 CO 0.62 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 180.43 1pw5 h GLU 201 N 0.00 0.00 -2.61 3.15 4.39 -1.93 -3.44 114.58 114.15 1pw5 h GLU 201 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1pw5 h GLU 201 Cb 0.21 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.46 1pw5 h GLU 201 CO 0.00 0.00 -0.81 0.54 -1.16 0.00 0.00 179.01 177.58 1pw5 n ARG 202 N -2.45 1.01 -0.51 2.33 1.74 -0.04 -4.95 116.66 113.79 1pw5 n ARG 202 Ca 0.03 -3.78 0.00 0.00 -0.77 0.00 0.00 57.85 53.33 1pw5 n ARG 202 Cb 0.34 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 1pw5 n ARG 202 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pw5 n ALA 204 N 2.27 0.00 0.00 7.54 0.00 0.22 -1.03 120.51 129.52 1pw5 n ALA 204 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1pw5 n ALA 204 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1pw5 n ALA 204 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pw5 n VAL 206 N 0.56 0.00 -3.31 0.00 0.31 -0.13 -0.77 118.33 114.99 1pw5 n VAL 206 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1pw5 n VAL 206 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1pw5 n VAL 206 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pw5 n GLY 207 N 0.00 2.36 0.00 2.92 0.00 -0.64 -1.93 105.19 107.91 1pw5 n GLY 207 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1pw5 n GLY 207 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pw5 n ASP 208 N -1.49 1.02 -4.41 1.61 5.75 -1.26 -0.17 116.55 117.61 1pw5 n ASP 208 Ca -0.01 -1.12 -0.44 0.00 -0.01 0.00 0.00 54.79 53.22 1pw5 n ASP 208 Cb 0.07 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.12 1pw5 n ASP 208 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1pw5 s ARG 209 N -0.12 3.26 0.27 0.11 0.52 -1.26 -4.55 118.95 117.19 1pw5 s ARG 209 Ca 0.00 -1.41 -0.03 0.00 -0.52 0.00 0.00 55.73 53.77 1pw5 s ARG 209 Cb 0.00 -4.45 0.58 0.00 0.52 0.00 0.00 34.95 31.60 1pw5 s ARG 209 CO 0.00 -1.66 1.63 1.25 0.02 0.00 0.00 175.30 176.54 1pw5 h LEU 210 N 10.27 -0.27 0.00 2.53 5.85 -1.92 0.10 115.31 131.87 1pw5 h LEU 210 Ca -0.13 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1pw5 h LEU 210 Cb 1.06 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1pw5 h LEU 210 CO 1.09 -0.20 -0.01 0.22 -0.34 0.00 0.00 178.44 179.20 1pw5 h TYR 211 N 0.12 0.00 0.27 1.25 3.20 -1.96 -3.30 116.97 116.54 1pw5 h TYR 211 Ca 0.49 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.36 1pw5 h TYR 211 Cb 0.93 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1pw5 h TYR 211 CO -0.39 0.00 -0.50 1.15 -1.64 0.00 0.00 178.16 176.78 1pw5 h THR 212 N -0.27 0.04 -0.91 1.81 2.02 -1.97 0.23 112.91 113.85 1pw5 h THR 212 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1pw5 h THR 212 Cb 0.01 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.42 1pw5 h THR 212 CO 0.00 0.00 0.59 0.44 0.37 0.00 0.00 175.52 176.92 1pw5 h ASP 213 N -0.83 1.06 0.05 4.18 3.32 -1.04 0.54 116.42 123.71 1pw5 h ASP 213 Ca -0.02 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1pw5 h ASP 213 Cb 0.79 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1pw5 h ASP 213 CO -0.19 0.79 -0.03 0.58 -1.72 0.00 0.00 179.24 178.67 1pw5 h VAL 214 N 1.25 1.18 0.00 -1.35 2.07 -1.50 -3.00 116.25 114.89 1pw5 h VAL 214 Ca 0.33 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1pw5 h VAL 214 Cb -0.12 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1pw5 h VAL 214 CO -0.07 0.20 -0.03 0.50 0.02 0.00 0.00 177.57 178.19 1pw5 h LYS 215 N -0.42 0.00 0.54 1.57 3.64 -0.32 -2.20 116.57 119.38 1pw5 h LYS 215 Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1pw5 h LYS 215 Cb 0.38 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1pw5 h LYS 215 CO 0.01 0.03 -0.26 1.25 -2.27 0.00 0.00 179.45 178.21 1pw5 h LEU 216 N 0.00 -0.61 -1.52 5.20 5.85 -0.76 -2.07 115.31 121.41 1pw5 h LEU 216 Ca -0.00 -0.04 0.23 0.00 0.84 0.00 0.00 57.88 58.91 1pw5 h LEU 216 Cb 0.16 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1pw5 h LEU 216 CO 0.00 -0.22 0.63 1.23 -0.34 0.00 0.00 178.44 179.74 1pw5 h GLY 217 N -1.08 0.88 0.71 3.75 0.00 -1.31 0.27 103.07 106.29 1pw5 h GLY 217 Ca -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1pw5 h GLY 217 CO 0.12 -0.04 -0.23 1.70 0.00 0.00 0.00 176.54 178.09 1pw5 h LYS 218 N 0.37 -0.62 -0.80 4.80 3.64 -1.29 0.50 116.57 123.16 1pw5 h LYS 218 Ca 0.51 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1pw5 h LYS 218 Cb 1.34 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 1pw5 h LYS 218 CO -0.19 -0.31 0.50 -0.91 -2.27 0.00 0.00 179.45 176.27 1pw5 h ASN 219 N -0.94 0.94 0.27 4.20 2.35 -0.53 -1.80 115.58 120.06 1pw5 h ASN 219 Ca -0.07 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1pw5 h ASN 219 Cb 0.59 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1pw5 h ASN 219 CO 0.11 0.70 -0.13 0.00 -1.65 0.00 0.00 177.43 176.46 1pw5 n ALA 220 N -2.33 2.82 -3.13 -0.83 0.00 0.85 -4.82 120.51 113.06 1pw5 n ALA 220 Ca 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 1pw5 n ALA 220 Cb 0.04 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.23 1pw5 n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pw5 n GLY 221 N 1.27 -1.23 3.36 0.00 0.00 0.14 -5.00 105.19 103.73 1pw5 n GLY 221 Ca 0.15 0.50 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 1pw5 n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pw5 s ILE 222 N -3.08 0.04 0.16 -0.61 -4.36 0.54 -4.82 121.20 109.06 1pw5 s ILE 222 Ca 0.09 -0.32 -0.33 0.00 -0.26 0.00 0.00 60.65 59.83 1pw5 s ILE 222 Cb -0.01 -0.88 -0.13 0.00 1.25 0.00 0.00 42.46 42.69 1pw5 s ILE 222 CO 0.75 -0.18 1.70 1.33 0.24 0.00 0.00 174.94 178.78 1pw5 n VAL 223 N 0.76 0.10 -4.03 8.37 0.24 -1.26 -4.46 118.33 118.04 1pw5 n VAL 223 Ca -0.19 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.34 61.74 1pw5 n VAL 223 Cb 0.58 -1.83 -0.09 0.00 -1.47 0.00 0.00 33.84 31.04 1pw5 n VAL 223 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1pw5 s SER 224 N 1.52 5.74 -0.35 -1.34 1.04 -1.26 -4.39 113.70 114.66 1pw5 s SER 224 Ca 0.79 0.18 0.03 0.00 0.48 0.00 0.00 55.95 57.42 1pw5 s SER 224 Cb -0.58 -1.90 0.10 0.00 0.10 0.00 0.00 66.02 63.74 1pw5 s SER 224 CO 0.36 0.26 0.07 -0.63 0.98 0.00 0.00 173.24 174.29 1pw5 s ILE 225 N -0.14 2.46 0.15 -1.02 1.01 -1.26 -2.35 121.20 120.05 1pw5 s ILE 225 Ca 0.07 -2.28 -0.30 0.00 0.00 0.00 0.00 60.65 58.15 1pw5 s ILE 225 Cb -0.12 -2.78 -0.07 0.00 0.01 0.00 0.00 42.46 39.50 1pw5 s ILE 225 CO 0.01 -0.60 0.99 -0.22 0.00 0.00 0.00 174.94 175.12 1pw5 s LEU 226 N 0.95 4.52 0.13 2.97 2.96 0.57 -1.62 118.68 129.17 1pw5 s LEU 226 Ca 0.10 1.89 0.09 0.00 -0.22 0.00 0.00 54.13 55.99 1pw5 s LEU 226 Cb -0.20 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1pw5 s LEU 226 CO -0.07 -0.06 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.05 1pw5 s VAL 227 N -0.27 2.97 -0.42 1.68 1.01 0.77 -2.48 120.40 123.66 1pw5 s VAL 227 Ca 0.46 -1.51 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1pw5 s VAL 227 Cb -0.25 -2.39 0.67 0.00 0.00 0.00 0.00 36.38 34.41 1pw5 s VAL 227 CO 0.31 0.06 1.86 0.18 0.00 0.00 0.00 175.10 177.52 1pw5 n LEU 228 N 0.64 6.42 -0.11 3.92 4.77 -0.62 -4.29 117.00 127.73 1pw5 n LEU 228 Ca -0.14 -3.56 0.13 0.00 -0.03 0.00 0.00 56.01 52.40 1pw5 n LEU 228 Cb 0.53 -0.81 0.35 0.00 -2.33 0.00 0.00 43.42 41.16 1pw5 n LEU 228 CO 0.30 1.03 0.59 0.35 -1.33 0.00 0.00 177.39 178.33 1pw5 n THR 229 N -0.99 0.00 -2.29 -5.08 -2.24 -1.10 -4.79 114.28 97.79 1pw5 n THR 229 Ca 0.55 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 1pw5 n THR 229 Cb 1.58 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 1pw5 n THR 229 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pw5 n GLY 230 N 1.41 2.80 3.06 3.38 0.00 -1.23 -4.87 105.19 109.74 1pw5 n GLY 230 Ca 0.09 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1pw5 n GLY 230 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pw5 n GLU 231 N -0.11 2.84 -4.39 1.61 -0.58 -1.26 -4.91 120.64 113.84 1pw5 n GLU 231 Ca 0.00 -2.77 -0.22 0.00 -0.42 0.00 0.00 57.16 53.75 1pw5 n GLU 231 Cb 0.00 -3.35 -0.16 0.00 -0.57 0.00 0.00 31.44 27.36 1pw5 n GLU 231 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1pw5 s THR 232 N 3.90 0.82 0.18 2.62 2.01 -1.26 -4.88 115.64 119.03 1pw5 s THR 232 Ca 0.51 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1pw5 s THR 232 Cb 0.10 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.84 1pw5 s THR 232 CO -0.01 0.28 0.00 1.07 -0.69 0.00 0.00 174.62 175.26 1pw5 n THR 233 N 3.76 0.00 -1.65 -0.82 5.66 -1.26 -5.00 114.28 114.96 1pw5 n THR 233 Ca -0.23 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.30 1pw5 n THR 233 Cb 0.52 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.26 1pw5 n THR 233 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1pw5 n PRO 234 N -3.08 1.96 -3.80 1.09 -0.02 -1.26 -4.97 135.00 124.93 1pw5 n PRO 234 Ca 0.00 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1pw5 n PRO 234 Cb 0.00 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 30.93 1pw5 n PRO 234 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pw5 s GLU 235 N 0.69 0.39 0.00 -0.52 2.02 -1.26 -5.09 118.70 114.93 1pw5 s GLU 235 Ca 0.79 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.91 1pw5 s GLU 235 Cb -0.72 0.18 0.00 0.00 0.10 0.00 0.00 34.13 33.68 1pw5 s GLU 235 CO 0.41 -0.07 0.00 -0.25 0.02 0.00 0.00 175.26 175.36 1pw5 n ASP 236 N 2.42 0.00 0.00 -0.19 9.92 -1.26 -5.12 116.55 122.31 1pw5 n ASP 236 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1pw5 n ASP 236 Cb 0.57 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1pw5 n ASP 236 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1pw5 n LEU 237 N 0.00 0.00 -4.86 0.64 7.94 -1.26 -4.53 117.00 114.93 1pw5 n LEU 237 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 1pw5 n LEU 237 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1pw5 n LEU 237 CO 0.00 0.00 0.54 -1.61 -1.11 0.00 0.00 177.39 175.21 1pw5 s GLU 238 N 0.00 3.83 0.00 1.96 0.41 -1.26 -5.10 118.70 118.53 1pw5 s GLU 238 Ca 0.00 0.64 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 1pw5 s GLU 238 Cb 0.00 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 30.06 1pw5 s GLU 238 CO 0.00 -0.14 0.00 0.54 -0.49 0.00 0.00 175.26 175.17 1pw5 n ARG 239 N -1.47 3.03 0.00 1.61 5.12 -1.26 -5.04 116.66 118.65 1pw5 n ARG 239 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1pw5 n ARG 239 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 1pw5 n ARG 239 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pw5 n ALA 240 N -3.00 0.00 -3.24 7.54 0.00 -1.26 -4.99 120.51 115.56 1pw5 n ALA 240 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1pw5 n ALA 240 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1pw5 n ALA 240 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pw5 s GLU 241 N 3.55 1.44 0.09 0.00 2.12 -0.99 -5.02 118.70 119.89 1pw5 s GLU 241 Ca 0.00 -0.40 0.07 0.00 0.36 0.00 0.00 54.97 55.00 1pw5 s GLU 241 Cb 0.00 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.11 1pw5 s GLU 241 CO 0.00 0.09 -0.18 0.99 -0.54 0.00 0.00 175.26 175.62 1pw5 s THR 242 N 0.42 1.48 -0.17 -1.70 2.01 -1.26 -0.31 115.64 116.11 1pw5 s THR 242 Ca -0.09 -1.43 -0.28 0.00 0.31 0.00 0.00 61.69 60.20 1pw5 s THR 242 Cb -0.13 -1.37 0.09 0.00 0.01 0.00 0.00 72.50 71.11 1pw5 s THR 242 CO 0.02 -0.10 0.83 -1.59 -0.69 0.00 0.00 174.62 173.09 1pw5 s LYS 243 N -1.79 0.79 0.14 4.92 -2.85 -1.03 -5.01 119.74 114.91 1pw5 s LYS 243 Ca 0.03 0.45 -0.27 0.00 -1.00 0.00 0.00 55.97 55.19 1pw5 s LYS 243 Cb -0.10 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 1pw5 s LYS 243 CO 0.03 -0.19 1.60 -1.35 0.10 0.00 0.00 175.35 175.54 1pw5 h PRO 244 N 3.53 -0.40 0.00 1.78 0.11 -1.93 -1.88 132.00 133.21 1pw5 h PRO 244 Ca -0.25 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1pw5 h PRO 244 Cb 1.16 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1pw5 h PRO 244 CO 0.25 -0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 177.37 1pw5 n ASP 245 N -5.42 0.00 -0.06 -2.05 5.68 -1.26 -1.58 116.55 111.86 1pw5 n ASP 245 Ca -0.03 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.40 1pw5 n ASP 245 Cb 0.34 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 40.92 1pw5 n ASP 245 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1pw5 n PHE 246 N 0.00 0.00 0.10 2.11 3.01 -1.26 -2.15 117.46 119.27 1pw5 n PHE 246 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 1pw5 n PHE 246 Cb 0.00 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.17 1pw5 n PHE 246 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1pw5 h VAL 247 N 0.27 0.00 -0.68 -4.37 2.07 -1.83 0.43 116.25 112.14 1pw5 h VAL 247 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1pw5 h VAL 247 Cb 0.39 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 1pw5 h VAL 247 CO 0.00 0.00 0.26 -0.26 0.02 0.00 0.00 177.57 177.59 1pw5 h PHE 248 N -0.27 0.46 0.11 1.57 0.05 -1.96 -1.57 116.94 115.32 1pw5 h PHE 248 Ca -0.03 0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.81 1pw5 h PHE 248 Cb 0.21 -0.10 -0.04 0.00 2.00 0.00 0.00 35.95 38.02 1pw5 h PHE 248 CO 0.15 0.09 -0.43 -0.22 -0.18 0.00 0.00 178.31 177.72 1pw5 h LYS 249 N 0.43 -0.60 -0.23 1.51 1.63 -1.27 -1.44 116.57 116.60 1pw5 h LYS 249 Ca 0.36 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.25 1pw5 h LYS 249 Cb 0.49 0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 32.18 1pw5 h LYS 249 CO -0.35 -0.40 -0.46 -0.97 -3.45 0.00 0.00 179.45 173.82 1pw5 h ASN 250 N -0.62 -1.47 -0.15 4.20 -0.73 0.46 -0.32 115.58 116.95 1pw5 h ASN 250 Ca -0.01 0.20 0.04 0.00 1.87 0.00 0.00 56.30 58.40 1pw5 h ASN 250 Cb 0.62 0.60 -0.01 0.00 0.27 0.00 0.00 38.32 39.81 1pw5 h ASN 250 CO -0.23 -0.42 0.36 -0.07 -0.37 0.00 0.00 177.43 176.69 1pw5 h LEU 251 N -0.46 0.00 -2.88 0.34 3.38 -1.06 0.70 115.31 115.33 1pw5 h LEU 251 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1pw5 h LEU 251 Cb 0.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1pw5 h LEU 251 CO -0.47 0.00 0.12 0.61 0.09 0.00 0.00 178.44 178.79 1pw5 n GLY 252 N -1.32 2.81 2.76 0.83 0.00 -0.13 -5.09 105.19 105.04 1pw5 n GLY 252 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1pw5 n GLY 252 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11