#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pw3 s PHE 2 N 0.00 2.19 0.22 1.20 -0.12 -1.26 -5.03 117.98 115.18 1pw3 s PHE 2 Ca 0.00 1.64 0.07 0.00 -0.05 0.00 0.00 56.93 58.59 1pw3 s PHE 2 Cb 0.00 -3.24 -0.04 0.00 -0.63 0.00 0.00 43.02 39.11 1pw3 s PHE 2 CO 0.00 -2.25 0.08 -1.64 -0.05 0.00 0.00 175.22 171.37 1pw3 s MET 3 N -4.51 2.62 -0.17 1.99 -1.94 -1.26 -4.95 119.30 111.07 1pw3 s MET 3 Ca 0.66 -1.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 1pw3 s MET 3 Cb -0.22 -2.42 0.01 0.00 2.01 0.00 0.00 34.83 34.21 1pw3 s MET 3 CO 0.52 0.42 -0.17 -0.51 -0.01 0.00 0.00 175.02 175.27 1pw3 s LEU 4 N -3.44 2.30 -0.18 -0.03 1.43 -1.26 -1.18 118.68 116.32 1pw3 s LEU 4 Ca 0.31 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1pw3 s LEU 4 Cb -0.08 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1pw3 s LEU 4 CO 0.22 0.03 -0.07 0.21 0.23 0.00 0.00 176.35 176.97 1pw3 s ASN 5 N 1.13 4.32 0.13 2.29 3.84 -0.04 -3.98 114.94 122.63 1pw3 s ASN 5 Ca 0.01 -0.32 0.05 0.00 0.21 0.00 0.00 52.86 52.81 1pw3 s ASN 5 Cb -0.14 -1.71 -0.04 0.00 -0.55 0.00 0.00 41.25 38.81 1pw3 s ASN 5 CO -0.07 0.07 -0.12 0.00 -2.79 0.00 0.00 177.10 174.19 1pw3 s GLN 6 N 0.95 1.03 0.65 0.43 -2.07 -1.26 -0.44 119.66 118.95 1pw3 s GLN 6 Ca -0.01 -1.32 -0.17 0.00 -1.82 0.00 0.00 55.36 52.05 1pw3 s GLN 6 Cb -0.15 -0.78 -0.00 0.00 -1.09 0.00 0.00 33.01 30.99 1pw3 s GLN 6 CO 0.00 0.13 1.20 -1.25 -1.32 0.00 0.00 175.29 174.05 1pw3 s PRO 7 N -3.09 2.64 0.34 9.60 0.04 -1.26 -4.80 135.00 138.48 1pw3 s PRO 7 Ca 0.12 1.75 0.18 0.00 0.04 0.00 0.00 61.00 63.09 1pw3 s PRO 7 Cb -0.02 -1.90 0.26 0.00 0.04 0.00 0.00 34.50 32.88 1pw3 s PRO 7 CO 0.02 -1.44 1.54 1.12 0.04 0.00 0.00 177.00 178.28 1pw3 h HIS 8 N 0.35 0.00 -3.30 0.56 2.07 -1.97 -3.35 115.15 109.52 1pw3 h HIS 8 Ca -0.49 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.87 1pw3 h HIS 8 Cb 1.29 0.00 -0.24 0.00 2.57 0.00 0.00 27.41 31.03 1pw3 h HIS 8 CO 0.48 0.34 -0.47 -1.12 -3.07 0.00 0.00 177.93 174.09 1pw3 s SER 9 N -6.36 -0.15 0.02 3.10 0.01 -1.26 -0.33 113.70 108.73 1pw3 s SER 9 Ca 0.04 0.23 -0.00 0.00 1.31 0.00 0.00 55.95 57.53 1pw3 s SER 9 Cb 0.07 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 1pw3 s SER 9 CO 0.71 -0.17 -0.02 0.68 0.41 0.00 0.00 173.24 174.85 1pw3 s VAL 11 N -0.36 0.11 0.04 3.43 -7.23 -0.46 -4.89 120.40 111.04 1pw3 s VAL 11 Ca -0.05 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1pw3 s VAL 11 Cb -0.03 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 1pw3 s VAL 11 CO 0.01 -0.51 -0.04 -0.94 -0.31 0.00 0.00 175.10 173.31 1pw3 s SER 12 N -1.50 0.44 0.05 4.85 1.04 -1.26 -1.14 113.70 116.17 1pw3 s SER 12 Ca -0.15 -0.69 -0.28 0.00 0.48 0.00 0.00 55.95 55.31 1pw3 s SER 12 Cb -0.09 0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.24 1pw3 s SER 12 CO -0.01 -0.39 0.93 -0.70 0.98 0.00 0.00 173.24 174.04 1pw3 s GLU 13 N -2.39 0.93 0.41 4.02 2.56 -0.83 -4.98 118.70 118.43 1pw3 s GLU 13 Ca -0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 54.97 54.45 1pw3 s GLU 13 Cb -0.03 0.38 -0.04 0.00 2.00 0.00 0.00 34.13 36.44 1pw3 s GLU 13 CO -0.04 -0.42 0.68 -1.12 -0.56 0.00 0.00 175.26 173.81 1pw3 s SER 14 N -2.65 6.31 0.35 -1.70 0.01 -1.26 -0.59 113.70 114.17 1pw3 s SER 14 Ca 0.08 0.75 -0.27 0.00 1.31 0.00 0.00 55.95 57.82 1pw3 s SER 14 Cb -0.01 -2.17 -0.12 0.00 0.21 0.00 0.00 66.02 63.93 1pw3 s SER 14 CO -0.05 -0.43 1.24 -0.81 0.41 0.00 0.00 173.24 173.60 1pw3 n PRO 15 N -1.91 1.97 0.00 12.44 -0.04 -1.26 -2.19 135.00 144.01 1pw3 n PRO 15 Ca -0.01 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1pw3 n PRO 15 Cb 0.55 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1pw3 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pw3 n GLY 16 N 0.85 1.82 4.00 0.55 0.00 0.87 -4.83 105.19 108.45 1pw3 n GLY 16 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1pw3 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pw3 s LYS 17 N -0.42 1.50 -0.05 1.61 -0.14 -0.93 -3.94 119.74 117.37 1pw3 s LYS 17 Ca 0.00 -1.22 0.05 0.00 -1.36 0.00 0.00 55.97 53.44 1pw3 s LYS 17 Cb 0.00 -2.31 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 1pw3 s LYS 17 CO 0.00 -1.59 -0.19 0.99 -0.76 0.00 0.00 175.35 173.80 1pw3 s THR 18 N -3.20 2.62 0.13 2.17 2.01 -1.26 -1.48 115.64 116.62 1pw3 s THR 18 Ca 0.68 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.88 1pw3 s THR 18 Cb -0.04 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1pw3 s THR 18 CO 0.45 0.58 -0.19 0.54 -0.69 0.00 0.00 174.62 175.32 1pw3 s VAL 19 N -0.55 1.67 -0.07 3.82 0.11 -0.57 -4.99 120.40 119.82 1pw3 s VAL 19 Ca 0.08 -1.69 0.04 0.00 -2.93 0.00 0.00 61.98 57.48 1pw3 s VAL 19 Cb -0.11 -1.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 1pw3 s VAL 19 CO 0.01 -0.21 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.48 1pw3 s THR 20 N -1.61 1.67 -0.18 5.04 2.01 -1.26 -1.11 115.64 120.19 1pw3 s THR 20 Ca 0.10 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1pw3 s THR 20 Cb -0.08 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 70.99 1pw3 s THR 20 CO 0.05 0.47 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.68 1pw3 s ILE 21 N 0.23 2.61 0.24 1.82 1.01 0.60 -4.98 121.20 122.74 1pw3 s ILE 21 Ca -0.11 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1pw3 s ILE 21 Cb -0.15 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1pw3 s ILE 21 CO 0.05 0.50 0.32 -0.94 0.00 0.00 0.00 174.94 174.86 1pw3 s SER 22 N 1.17 6.10 -0.25 3.58 1.04 -1.26 -0.74 113.70 123.34 1pw3 s SER 22 Ca 0.02 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 1pw3 s SER 22 Cb -0.14 -1.73 0.12 0.00 0.10 0.00 0.00 66.02 64.36 1pw3 s SER 22 CO -0.06 -0.06 0.28 0.00 0.98 0.00 0.00 173.24 174.38 1pw3 s THR 24 N 2.37 5.24 -0.03 0.00 2.01 0.42 -0.73 115.64 124.92 1pw3 s THR 24 Ca 0.09 0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 1pw3 s THR 24 Cb -0.15 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1pw3 s THR 24 CO -0.22 0.42 0.83 -0.60 -0.69 0.00 0.00 174.62 174.35 1pw3 s ARG 25 N 0.58 4.50 0.16 4.92 3.52 -0.32 -0.86 118.95 131.46 1pw3 s ARG 25 Ca 0.07 1.13 -0.03 0.00 -0.13 0.00 0.00 55.73 56.77 1pw3 s ARG 25 Cb -0.12 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1pw3 s ARG 25 CO 0.00 0.01 1.41 0.66 -0.81 0.00 0.00 175.30 176.57 1pw3 h SER 26 N 6.77 0.53 -5.11 -2.12 4.64 -1.47 -3.46 113.55 113.32 1pw3 h SER 26 Ca -0.41 -0.36 -0.11 0.00 -0.47 0.00 0.00 61.79 60.44 1pw3 h SER 26 Cb 1.21 -0.16 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 1pw3 h SER 26 CO 0.75 1.11 -0.45 -0.94 -0.87 0.00 0.00 176.83 176.43 1pw3 s SER 27 N -7.00 0.14 0.49 4.97 1.04 -1.26 -4.97 113.70 107.11 1pw3 s SER 27 Ca -0.06 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1pw3 s SER 27 Cb 0.10 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1pw3 s SER 27 CO 0.85 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1pw3 n GLY 27 N 0.47 -1.16 3.59 7.32 0.00 -1.26 -4.84 105.19 109.30 1pw3 n GLY 27 Ca -0.17 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 1pw3 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pw3 s ASN 27 N -4.00 5.30 0.50 1.61 3.84 -1.26 -4.99 114.94 115.95 1pw3 s ASN 27 Ca 0.00 0.01 0.29 0.00 0.21 0.00 0.00 52.86 53.37 1pw3 s ASN 27 Cb 0.00 -1.87 1.39 0.00 -0.55 0.00 0.00 41.25 40.22 1pw3 s ASN 27 CO 0.00 0.19 1.85 -0.29 -2.79 0.00 0.00 177.10 176.06 1pw3 h ILE 28 N 4.92 0.54 -0.13 -5.21 6.09 -1.88 -0.95 117.51 120.89 1pw3 h ILE 28 Ca -0.36 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 1pw3 h ILE 28 Cb 1.18 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.89 1pw3 h ILE 28 CO 0.67 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.87 1pw3 n ASP 29 N -4.33 1.24 0.18 2.19 5.68 -1.26 -3.71 116.55 116.54 1pw3 n ASP 29 Ca 0.21 -1.65 0.05 0.00 -0.50 0.00 0.00 54.79 52.90 1pw3 n ASP 29 Cb 0.96 -0.08 0.22 0.00 -1.14 0.00 0.00 41.12 41.08 1pw3 n ASP 29 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1pw3 h SER 30 N 1.64 0.00 -4.83 -1.12 0.02 -1.59 -3.46 113.55 104.22 1pw3 h SER 30 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1pw3 h SER 30 Cb 0.36 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.68 1pw3 h SER 30 CO 0.00 0.38 -0.65 0.20 -1.14 0.00 0.00 176.83 175.62 1pw3 s ASN 31 N -6.38 0.16 0.35 3.07 -0.87 -1.24 -5.11 114.94 104.92 1pw3 s ASN 31 Ca 0.02 -0.37 -0.28 0.00 -1.57 0.00 0.00 52.86 50.66 1pw3 s ASN 31 Cb 0.09 0.12 -0.10 0.00 -0.02 0.00 0.00 41.25 41.34 1pw3 s ASN 31 CO 0.70 -0.28 1.33 -0.31 -2.57 0.00 0.00 177.10 175.97 1pw3 s TYR 32 N -1.27 2.95 -0.15 2.20 2.02 -1.26 -4.90 117.35 116.95 1pw3 s TYR 32 Ca -0.14 1.38 -0.04 0.00 -0.37 0.00 0.00 57.07 57.90 1pw3 s TYR 32 Cb -0.08 -3.73 -0.03 0.00 -0.40 0.00 0.00 41.96 37.72 1pw3 s TYR 32 CO -0.00 -2.05 -0.02 0.08 -1.57 0.00 0.00 175.55 171.99 1pw3 s VAL 33 N -1.15 4.08 0.09 0.71 1.01 -1.26 -4.27 120.40 119.60 1pw3 s VAL 33 Ca 0.50 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1pw3 s VAL 33 Cb -0.40 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1pw3 s VAL 33 CO 0.54 0.50 -0.13 -1.10 0.00 0.00 0.00 175.10 174.91 1pw3 s GLN 34 N 0.18 2.06 -0.09 2.72 1.11 0.26 -0.61 119.66 125.30 1pw3 s GLN 34 Ca -0.01 -1.04 0.04 0.00 0.01 0.00 0.00 55.36 54.37 1pw3 s GLN 34 Cb -0.13 -2.26 -0.01 0.00 -1.01 0.00 0.00 33.01 29.60 1pw3 s GLN 34 CO 0.02 0.51 -0.22 -1.58 0.01 0.00 0.00 175.29 174.03 1pw3 s TRP 35 N -1.14 2.55 -0.05 0.91 0.52 0.17 -0.69 118.94 121.22 1pw3 s TRP 35 Ca 0.19 -0.83 0.04 0.00 0.02 0.00 0.00 56.10 55.52 1pw3 s TRP 35 Cb -0.11 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1pw3 s TRP 35 CO 0.11 -0.29 -0.15 0.71 0.02 0.00 0.00 176.95 177.36 1pw3 s TYR 36 N 0.10 2.69 -0.18 -1.98 2.02 0.68 -0.93 117.35 119.74 1pw3 s TYR 36 Ca -0.11 -0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 56.34 1pw3 s TYR 36 Cb -0.16 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1pw3 s TYR 36 CO 0.06 0.17 0.06 -1.14 -1.57 0.00 0.00 175.55 173.14 1pw3 s GLN 37 N -0.71 3.97 -0.16 -0.62 0.74 0.11 -1.05 119.66 121.94 1pw3 s GLN 37 Ca 0.11 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.15 1pw3 s GLN 37 Cb -0.11 -3.21 0.05 0.00 1.10 0.00 0.00 33.01 30.84 1pw3 s GLN 37 CO 0.00 0.27 0.02 -1.14 -0.55 0.00 0.00 175.29 173.90 1pw3 s GLN 38 N 0.38 0.67 0.39 1.67 0.74 0.44 -0.65 119.66 123.30 1pw3 s GLN 38 Ca 0.03 -0.27 -0.07 0.00 0.05 0.00 0.00 55.36 55.10 1pw3 s GLN 38 Cb -0.12 -1.79 -0.05 0.00 1.10 0.00 0.00 33.01 32.15 1pw3 s GLN 38 CO 0.00 -0.54 0.70 1.03 -0.55 0.00 0.00 175.29 175.93 1pw3 s ARG 39 N 1.89 3.65 0.06 1.67 0.52 -1.26 -1.52 118.95 123.95 1pw3 s ARG 39 Ca 0.01 0.20 -0.34 0.00 -0.52 0.00 0.00 55.73 55.08 1pw3 s ARG 39 Cb -0.16 -2.48 -0.13 0.00 0.52 0.00 0.00 34.95 32.71 1pw3 s ARG 39 CO -0.07 -0.00 1.68 -0.35 0.02 0.00 0.00 175.30 176.58 1pw3 n PRO 40 N -1.52 2.12 0.00 3.54 -0.04 -1.26 -1.60 135.00 136.25 1pw3 n PRO 40 Ca 0.00 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1pw3 n PRO 40 Cb 0.54 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1pw3 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pw3 n GLY 41 N 3.76 2.01 3.83 0.55 0.00 -1.26 -5.07 105.19 109.01 1pw3 n GLY 41 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1pw3 n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pw3 s SER 42 N -1.47 5.63 0.92 1.61 1.04 -0.62 -5.12 113.70 115.69 1pw3 s SER 42 Ca 0.00 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 1pw3 s SER 42 Cb 0.00 -1.49 0.14 0.00 0.10 0.00 0.00 66.02 64.77 1pw3 s SER 42 CO 0.00 0.04 1.10 0.00 0.98 0.00 0.00 173.24 175.36 1pw3 s ALA 43 N -1.85 1.36 0.01 5.32 0.00 -1.26 -4.70 121.76 120.64 1pw3 s ALA 43 Ca 0.32 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1pw3 s ALA 43 Cb -0.10 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1pw3 s ALA 43 CO 0.24 -2.61 1.95 -2.14 0.00 0.00 0.00 175.76 173.21 1pw3 s PRO 44 N -4.75 4.07 -0.21 0.00 0.02 -1.26 -4.63 135.00 128.23 1pw3 s PRO 44 Ca 0.65 2.52 -0.08 0.00 0.02 0.00 0.00 61.00 64.11 1pw3 s PRO 44 Cb -0.21 -4.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.12 1pw3 s PRO 44 CO 0.58 -1.03 0.09 0.42 -0.33 0.00 0.00 177.00 176.73 1pw3 s ILE 45 N 4.71 4.76 0.08 2.83 -1.09 0.17 -4.87 121.20 127.80 1pw3 s ILE 45 Ca 0.88 -0.03 -0.31 0.00 -2.23 0.00 0.00 60.65 58.96 1pw3 s ILE 45 Cb -0.41 -3.19 -0.09 0.00 -1.58 0.00 0.00 42.46 37.19 1pw3 s ILE 45 CO 0.40 0.40 1.79 -0.89 -1.23 0.00 0.00 174.94 175.40 1pw3 s THR 46 N 0.89 2.85 -0.02 2.92 2.01 -1.26 0.04 115.64 123.07 1pw3 s THR 46 Ca 0.05 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1pw3 s THR 46 Cb -0.14 -3.15 -0.13 0.00 0.01 0.00 0.00 72.50 69.10 1pw3 s THR 46 CO 0.03 -0.01 0.17 1.33 -0.69 0.00 0.00 174.62 175.45 1pw3 n VAL 47 N 4.93 0.06 -3.79 3.82 0.24 -0.11 -4.76 118.33 118.72 1pw3 n VAL 47 Ca 0.17 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 1pw3 n VAL 47 Cb 0.40 0.19 -0.14 0.00 -1.47 0.00 0.00 33.84 32.82 1pw3 n VAL 47 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1pw3 s ILE 48 N -2.54 -0.03 0.12 1.34 -1.09 -1.08 -4.30 121.20 113.63 1pw3 s ILE 48 Ca -0.03 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 1pw3 s ILE 48 Cb 0.05 -0.19 -0.04 0.00 -1.58 0.00 0.00 42.46 40.70 1pw3 s ILE 48 CO 0.34 0.04 -0.11 -0.72 -1.23 0.00 0.00 174.94 173.27 1pw3 s TYR 49 N 0.64 1.18 -1.40 3.97 -0.85 -0.10 -0.65 117.35 120.13 1pw3 s TYR 49 Ca -0.05 -0.68 -0.06 0.00 -0.52 0.00 0.00 57.07 55.76 1pw3 s TYR 49 Cb -0.07 -0.62 0.04 0.00 0.38 0.00 0.00 41.96 41.69 1pw3 s TYR 49 CO -0.03 0.05 0.86 0.39 -1.52 0.00 0.00 175.55 175.30 1pw3 n GLU 50 N 0.31 -5.44 0.00 -3.49 1.02 -1.19 -1.15 120.64 110.70 1pw3 n GLU 50 Ca -0.14 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1pw3 n GLU 50 Cb 0.59 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 1pw3 n GLU 50 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pw3 n ASP 51 N -2.97 0.00 0.00 1.62 8.00 0.22 -4.19 116.55 119.24 1pw3 n ASP 51 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1pw3 n ASP 51 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1pw3 n ASP 51 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1pw3 n ASN 52 N 2.37 0.00 -4.76 -2.24 0.23 -1.18 -3.42 115.26 106.25 1pw3 n ASN 52 Ca 0.00 -1.00 -0.39 0.00 -0.53 0.00 0.00 54.58 52.66 1pw3 n ASN 52 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1pw3 n ASN 52 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1pw3 s GLN 53 N 0.00 4.30 -0.17 -3.83 -1.52 -0.30 -4.55 119.66 113.60 1pw3 s GLN 53 Ca 0.00 0.71 -0.11 0.00 -1.95 0.00 0.00 55.36 54.01 1pw3 s GLN 53 Cb 0.00 -3.35 -0.05 0.00 -0.22 0.00 0.00 33.01 29.40 1pw3 s GLN 53 CO 0.00 0.36 0.19 1.03 -0.25 0.00 0.00 175.29 176.62 1pw3 s ARG 54 N -0.16 4.08 0.90 2.91 0.52 -1.26 -0.92 118.95 125.03 1pw3 s ARG 54 Ca 0.31 -0.09 -0.10 0.00 -0.52 0.00 0.00 55.73 55.32 1pw3 s ARG 54 Cb -0.18 -3.38 0.14 0.00 0.52 0.00 0.00 34.95 32.05 1pw3 s ARG 54 CO 0.17 0.37 1.14 -2.14 0.02 0.00 0.00 175.30 174.86 1pw3 s PRO 55 N 0.12 1.10 0.37 3.54 0.02 -1.26 -4.91 135.00 133.97 1pw3 s PRO 55 Ca 0.12 1.53 -0.27 0.00 0.02 0.00 0.00 61.00 62.40 1pw3 s PRO 55 Cb -0.12 -1.74 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 1pw3 s PRO 55 CO 0.01 -2.57 1.25 -1.13 -0.33 0.00 0.00 177.00 174.23 1pw3 n SER 56 N -4.18 2.51 0.00 2.53 3.41 -1.26 -2.18 113.62 114.45 1pw3 n SER 56 Ca 0.12 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.89 1pw3 n SER 56 Cb 0.52 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1pw3 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pw3 n GLY 57 N 0.83 2.76 3.67 5.00 0.00 -1.26 -5.00 105.19 111.19 1pw3 n GLY 57 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1pw3 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pw3 s VAL 58 N -2.01 4.84 0.62 1.61 1.01 -0.93 -5.01 120.40 120.53 1pw3 s VAL 58 Ca 0.00 1.73 -0.17 0.00 0.00 0.00 0.00 61.98 63.54 1pw3 s VAL 58 Cb 0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1pw3 s VAL 58 CO 0.00 -0.01 1.14 -2.84 0.00 0.00 0.00 175.10 173.38 1pw3 s PRO 59 N 2.33 2.93 0.00 2.72 0.02 -1.26 -4.85 135.00 136.89 1pw3 s PRO 59 Ca 0.40 1.55 0.09 0.00 0.02 0.00 0.00 61.00 63.05 1pw3 s PRO 59 Cb -0.16 -1.95 0.40 0.00 0.02 0.00 0.00 34.50 32.80 1pw3 s PRO 59 CO 0.12 -1.17 1.23 -0.40 -0.33 0.00 0.00 177.00 176.44 1pw3 n ASP 60 N -1.99 0.00 0.31 2.53 5.68 -1.26 -2.07 116.55 119.75 1pw3 n ASP 60 Ca 0.11 0.37 0.18 0.00 -0.50 0.00 0.00 54.79 54.95 1pw3 n ASP 60 Cb 0.51 -0.42 1.00 0.00 -1.14 0.00 0.00 41.12 41.07 1pw3 n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1pw3 h ARG 61 N 0.00 0.00 -5.35 0.11 3.08 -1.90 -3.41 114.38 106.91 1pw3 h ARG 61 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1pw3 h ARG 61 Cb 0.12 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.05 1pw3 h ARG 61 CO 0.00 0.02 -0.12 -0.06 -1.07 0.00 0.00 179.97 178.74 1pw3 s PHE 62 N -4.34 3.30 -0.04 3.04 0.40 -0.88 -1.34 117.98 118.12 1pw3 s PHE 62 Ca -0.04 0.60 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 1pw3 s PHE 62 Cb 0.14 -2.63 0.01 0.00 0.51 0.00 0.00 43.02 41.04 1pw3 s PHE 62 CO 0.50 -0.17 -0.11 0.00 0.70 0.00 0.00 175.22 176.14 1pw3 s ALA 63 N 1.90 1.04 -0.00 5.36 0.00 -0.07 -4.96 121.76 125.02 1pw3 s ALA 63 Ca 0.20 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1pw3 s ALA 63 Cb -0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1pw3 s ALA 63 CO 0.09 0.15 -0.01 0.20 0.00 0.00 0.00 175.76 176.19 1pw3 s GLY 64 N 0.31 1.86 0.17 0.00 0.00 -1.26 -0.63 107.32 107.77 1pw3 s GLY 64 Ca -0.06 -0.96 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 1pw3 s GLY 64 CO 0.01 -0.83 0.30 -1.35 0.00 0.00 0.00 173.10 171.24 1pw3 s SER 65 N -1.54 0.02 -0.03 1.64 1.04 0.11 -4.49 113.70 110.45 1pw3 s SER 65 Ca 0.19 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 55.79 1pw3 s SER 65 Cb -0.11 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1pw3 s SER 65 CO 0.10 -0.91 -0.12 -0.63 0.98 0.00 0.00 173.24 172.65 1pw3 s ILE 66 N -3.97 1.05 -0.33 -1.02 -1.09 -1.26 -0.65 121.20 113.93 1pw3 s ILE 66 Ca 0.17 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1pw3 s ILE 66 Cb 0.03 -0.92 0.10 0.00 -1.58 0.00 0.00 42.46 40.09 1pw3 s ILE 66 CO 0.01 0.32 0.06 -0.62 -1.23 0.00 0.00 174.94 173.47 1pw3 s ASP 66 N 0.15 4.59 0.32 3.58 -1.08 0.90 -4.99 116.67 120.13 1pw3 s ASP 66 Ca -0.04 -2.02 0.11 0.00 -0.52 0.00 0.00 52.55 50.08 1pw3 s ASP 66 Cb -0.10 -1.45 0.53 0.00 -1.46 0.00 0.00 42.92 40.44 1pw3 s ASP 66 CO 0.01 -0.39 1.72 0.77 0.52 0.00 0.00 175.17 177.80 1pw3 h SER 66 N 7.72 0.04 -0.84 -0.34 4.64 -1.96 0.25 113.55 123.06 1pw3 h SER 66 Ca -0.06 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1pw3 h SER 66 Cb 1.02 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 1pw3 h SER 66 CO 0.51 0.51 0.54 -1.28 -0.87 0.00 0.00 176.83 176.24 1pw3 h SER 67 N 0.03 0.98 -0.43 4.97 0.87 -1.95 -2.73 113.55 115.29 1pw3 h SER 67 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1pw3 h SER 67 Cb 0.87 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1pw3 h SER 67 CO 0.06 0.73 0.00 -1.54 -0.53 0.00 0.00 176.83 175.55 1pw3 n SER 68 N -4.48 3.51 -3.95 6.23 3.41 -1.06 -4.97 113.62 112.31 1pw3 n SER 68 Ca 0.09 -1.99 -0.29 0.00 -0.26 0.00 0.00 58.87 56.42 1pw3 n SER 68 Cb 0.03 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 63.71 1pw3 n SER 68 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pw3 n ASN 69 N 1.50 -2.98 -4.21 4.04 5.15 -0.02 -4.83 115.26 113.93 1pw3 n ASN 69 Ca 0.20 -0.88 -0.12 0.00 -0.60 0.00 0.00 54.58 53.18 1pw3 n ASN 69 Cb 0.61 -3.53 -0.10 0.00 -0.53 0.00 0.00 39.78 36.23 1pw3 n ASN 69 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1pw3 s SER 70 N -3.70 1.22 0.07 1.20 1.04 -0.62 -1.17 113.70 111.74 1pw3 s SER 70 Ca 0.43 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.87 1pw3 s SER 70 Cb -0.22 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 1pw3 s SER 70 CO 0.86 -0.50 -0.20 0.00 0.98 0.00 0.00 173.24 174.38 1pw3 s ALA 71 N -3.62 2.56 -0.00 5.32 0.00 0.09 -0.07 121.76 126.04 1pw3 s ALA 71 Ca 0.17 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1pw3 s ALA 71 Cb 0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1pw3 s ALA 71 CO -0.01 0.57 -0.11 -1.12 0.00 0.00 0.00 175.76 175.10 1pw3 s SER 72 N -1.69 1.24 -0.21 0.00 0.01 0.17 -0.65 113.70 112.57 1pw3 s SER 72 Ca 0.15 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 1pw3 s SER 72 Cb -0.10 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1pw3 s SER 72 CO 0.06 0.12 -0.01 -0.22 0.41 0.00 0.00 173.24 173.60 1pw3 s LEU 73 N -0.32 3.12 -0.18 2.44 2.96 0.08 -0.71 118.68 126.07 1pw3 s LEU 73 Ca 0.04 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1pw3 s LEU 73 Cb -0.04 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1pw3 s LEU 73 CO -0.00 0.02 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.12 1pw3 s THR 74 N 1.24 3.64 -0.26 3.68 2.01 0.20 -0.29 115.64 125.85 1pw3 s THR 74 Ca 0.03 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1pw3 s THR 74 Cb -0.15 -2.62 0.05 0.00 0.01 0.00 0.00 72.50 69.79 1pw3 s THR 74 CO 0.00 0.46 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.69 1pw3 s ILE 75 N 0.84 2.60 0.35 1.82 1.01 -0.27 -0.89 121.20 126.67 1pw3 s ILE 75 Ca -0.01 -1.36 0.04 0.00 0.00 0.00 0.00 60.65 59.32 1pw3 s ILE 75 Cb -0.15 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1pw3 s ILE 75 CO 0.02 0.04 0.52 -0.94 0.00 0.00 0.00 174.94 174.57 1pw3 s SER 76 N 1.22 6.02 -1.35 3.58 1.04 -0.45 -1.50 113.70 122.25 1pw3 s SER 76 Ca -0.05 0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 1pw3 s SER 76 Cb -0.19 -1.50 0.02 0.00 0.10 0.00 0.00 66.02 64.45 1pw3 s SER 76 CO -0.04 -0.44 0.73 0.61 0.98 0.00 0.00 173.24 175.08 1pw3 n GLY 77 N -1.74 -0.32 3.60 7.32 0.00 -0.93 -4.80 105.19 108.31 1pw3 n GLY 77 Ca -0.02 0.14 -0.51 0.00 0.00 0.00 0.00 46.02 45.63 1pw3 n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pw3 n LEU 78 N -4.36 1.83 -4.54 0.99 7.94 -0.55 -4.39 117.00 113.93 1pw3 n LEU 78 Ca -0.24 1.11 -0.26 0.00 -1.11 0.00 0.00 56.01 55.51 1pw3 n LEU 78 Cb 0.65 -1.22 -0.10 0.00 0.53 0.00 0.00 43.42 43.29 1pw3 n LEU 78 CO 0.70 -0.94 -0.43 -0.54 -1.11 0.00 0.00 177.39 175.07 1pw3 s LYS 79 N 0.61 1.96 0.45 1.96 1.02 -1.26 -0.09 119.74 124.39 1pw3 s LYS 79 Ca 0.84 -1.36 0.14 0.00 0.02 0.00 0.00 55.97 55.61 1pw3 s LYS 79 Cb -0.92 -2.08 1.07 0.00 -0.52 0.00 0.00 37.83 35.38 1pw3 s LYS 79 CO 0.46 0.42 2.01 1.79 -0.92 0.00 0.00 175.35 179.10 1pw3 h THR 80 N 2.72 0.91 0.00 2.17 1.35 -1.95 0.43 112.91 118.55 1pw3 h THR 80 Ca -0.46 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1pw3 h THR 80 Cb 1.21 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1pw3 h THR 80 CO 0.54 0.06 0.00 1.05 -0.25 0.00 0.00 175.52 176.92 1pw3 h GLU 81 N 0.34 0.00 0.00 4.72 4.11 -2.01 -2.16 114.58 119.58 1pw3 h GLU 81 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1pw3 h GLU 81 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1pw3 h GLU 81 CO -0.06 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.77 1pw3 n ASP 82 N -2.91 0.40 -4.64 3.06 8.00 0.14 -4.73 116.55 115.88 1pw3 n ASP 82 Ca -0.02 0.57 -0.42 0.00 0.71 0.00 0.00 54.79 55.63 1pw3 n ASP 82 Cb 0.10 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 1pw3 n ASP 82 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1pw3 s GLU 83 N -3.13 3.83 -0.04 -1.24 2.12 -0.81 -4.85 118.70 114.58 1pw3 s GLU 83 Ca 0.08 2.25 -0.31 0.00 0.36 0.00 0.00 54.97 57.36 1pw3 s GLU 83 Cb 0.12 -4.17 0.12 0.00 0.26 0.00 0.00 34.13 30.46 1pw3 s GLU 83 CO 0.43 -1.29 1.33 0.00 -0.54 0.00 0.00 175.26 175.19 1pw3 s ALA 84 N 5.50 -2.36 -0.04 6.30 0.00 -1.15 -4.84 121.76 125.16 1pw3 s ALA 84 Ca 0.87 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 53.31 1pw3 s ALA 84 Cb -0.36 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1pw3 s ALA 84 CO 0.36 -1.08 0.37 -0.51 0.00 0.00 0.00 175.76 174.90 1pw3 s ASP 85 N -3.17 6.71 -0.14 0.00 1.01 -0.58 -0.47 116.67 120.03 1pw3 s ASP 85 Ca 0.18 0.84 0.02 0.00 0.71 0.00 0.00 52.55 54.30 1pw3 s ASP 85 Cb 0.04 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.76 1pw3 s ASP 85 CO -0.04 0.28 -0.22 -0.31 0.21 0.00 0.00 175.17 175.09 1pw3 s TYR 86 N -0.74 2.67 -0.11 4.23 1.51 0.24 -0.42 117.35 124.72 1pw3 s TYR 86 Ca 0.22 -1.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.01 1pw3 s TYR 86 Cb -0.16 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 1pw3 s TYR 86 CO 0.11 -0.58 -0.21 0.71 -1.11 0.00 0.00 175.55 174.46 1pw3 s TYR 87 N 0.77 2.63 0.40 2.71 2.02 -0.21 -0.72 117.35 124.95 1pw3 s TYR 87 Ca -0.08 -1.03 -0.08 0.00 -0.37 0.00 0.00 57.07 55.51 1pw3 s TYR 87 Cb -0.16 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1pw3 s TYR 87 CO -0.01 -0.42 0.73 0.00 -1.57 0.00 0.00 175.55 174.28 1pw3 s GLN 89 N -4.06 0.55 0.00 0.00 -0.44 0.13 -0.61 119.66 115.24 1pw3 s GLN 89 Ca 0.48 0.73 0.00 0.00 -2.50 0.00 0.00 55.36 54.08 1pw3 s GLN 89 Cb -0.10 0.22 0.00 0.00 -1.64 0.00 0.00 33.01 31.49 1pw3 s GLN 89 CO 0.35 -0.09 0.00 0.45 0.50 0.00 0.00 175.29 176.50 1pw3 n SER 90 N 3.13 0.00 -4.03 6.67 2.88 -0.01 -0.58 113.62 121.69 1pw3 n SER 90 Ca -0.15 -0.60 -0.21 0.00 -1.33 0.00 0.00 58.87 56.58 1pw3 n SER 90 Cb 0.56 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.87 1pw3 n SER 90 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1pw3 s TYR 91 N -3.06 1.10 -0.41 0.66 2.02 -1.26 -0.98 117.35 115.41 1pw3 s TYR 91 Ca 0.00 -0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1pw3 s TYR 91 Cb 0.00 -0.76 0.10 0.00 -0.40 0.00 0.00 41.96 40.90 1pw3 s TYR 91 CO 0.00 -0.10 0.21 0.34 -1.57 0.00 0.00 175.55 174.43 1pw3 s ASP 92 N 0.11 5.35 1.61 2.29 2.15 0.02 -4.81 116.67 123.39 1pw3 s ASP 92 Ca -0.02 -1.82 0.00 0.00 0.43 0.00 0.00 52.55 51.14 1pw3 s ASP 92 Cb -0.09 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 1pw3 s ASP 92 CO 0.01 -0.53 0.00 0.00 -0.17 0.00 0.00 175.17 174.47 1pw3 n ALA 93 N 4.71 0.00 0.82 3.66 0.00 -1.26 -1.22 120.51 127.22 1pw3 n ALA 93 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1pw3 n ALA 93 Cb 0.42 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.94 1pw3 n ALA 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1pw3 n ARG 94 N 7.93 0.12 -2.65 0.00 3.00 -1.26 -4.95 116.66 118.85 1pw3 n ARG 94 Ca 0.00 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1pw3 n ARG 94 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 32.46 30.89 1pw3 n ARG 94 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1pw3 s ASN 95 N -3.38 7.34 0.05 6.15 0.01 -0.36 -5.01 114.94 119.75 1pw3 s ASN 95 Ca 0.07 1.78 -0.30 0.00 -0.71 0.00 0.00 52.86 53.70 1pw3 s ASN 95 Cb 0.16 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 1pw3 s ASN 95 CO 0.78 -0.25 1.12 -0.69 -1.51 0.00 0.00 177.10 176.55 1pw3 s VAL 96 N 0.69 4.31 -0.14 1.60 1.01 -1.26 -0.80 120.40 125.82 1pw3 s VAL 96 Ca 0.52 1.68 0.02 0.00 0.00 0.00 0.00 61.98 64.20 1pw3 s VAL 96 Cb -0.24 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1pw3 s VAL 96 CO 0.29 0.14 -0.21 -0.69 0.00 0.00 0.00 175.10 174.63 1pw3 s VAL 97 N 0.95 1.99 -0.04 2.92 1.01 -0.16 -4.92 120.40 122.16 1pw3 s VAL 97 Ca 0.56 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1pw3 s VAL 97 Cb -0.26 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1pw3 s VAL 97 CO 0.29 0.54 -0.06 -0.36 0.00 0.00 0.00 175.10 175.51 1pw3 s PHE 98 N 0.84 2.94 0.98 5.22 0.40 -1.26 -0.83 117.98 126.26 1pw3 s PHE 98 Ca -0.07 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.15 1pw3 s PHE 98 Cb -0.15 -1.67 0.18 0.00 0.51 0.00 0.00 43.02 41.88 1pw3 s PHE 98 CO -0.02 0.36 1.10 0.20 0.70 0.00 0.00 175.22 177.56 1pw3 s GLY 99 N -1.08 1.57 0.00 4.36 0.00 0.22 -4.54 107.32 107.84 1pw3 s GLY 99 Ca 0.15 -0.35 0.29 0.00 0.00 0.00 0.00 44.72 44.81 1pw3 s GLY 99 CO 0.04 0.24 2.03 0.61 0.00 0.00 0.00 173.10 176.02 1pw3 n GLY 100 N -1.23 -1.20 0.00 0.20 0.00 -1.26 -4.74 105.19 96.97 1pw3 n GLY 100 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1pw3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pw3 n GLY 101 N 1.14 -0.50 3.09 -0.02 0.00 -1.26 -5.02 105.19 102.62 1pw3 n GLY 101 Ca 0.15 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1pw3 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pw3 s THR 102 N -2.41 1.69 -0.21 2.61 2.01 0.10 -4.33 115.64 115.10 1pw3 s THR 102 Ca 0.00 -0.76 -0.23 0.00 0.31 0.00 0.00 61.69 61.02 1pw3 s THR 102 Cb 0.00 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1pw3 s THR 102 CO 0.00 0.48 0.73 -0.60 -0.69 0.00 0.00 174.62 174.53 1pw3 s ARG 103 N 0.97 4.20 -0.23 4.92 3.52 0.55 -0.59 118.95 132.28 1pw3 s ARG 103 Ca -0.06 0.78 -0.15 0.00 -0.13 0.00 0.00 55.73 56.17 1pw3 s ARG 103 Cb -0.15 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1pw3 s ARG 103 CO -0.02 -0.37 0.37 -1.17 -0.81 0.00 0.00 175.30 173.30 1pw3 s LEU 104 N 2.33 4.10 -0.21 -0.88 2.96 0.38 -1.36 118.68 126.00 1pw3 s LEU 104 Ca 0.32 0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.53 1pw3 s LEU 104 Cb -0.16 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1pw3 s LEU 104 CO 0.10 -0.11 0.10 -0.89 -1.32 0.00 0.00 176.35 174.22 1pw3 s THR 105 N 1.61 4.94 -0.36 3.68 2.01 -0.29 -2.95 115.64 124.28 1pw3 s THR 105 Ca 0.16 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.04 1pw3 s THR 105 Cb -0.15 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 1pw3 s THR 105 CO 0.08 0.40 0.34 -0.69 -0.69 0.00 0.00 174.62 174.07 1pw3 s VAL 106 N 0.78 5.19 0.35 3.82 1.01 -1.26 -1.96 120.40 128.33 1pw3 s VAL 106 Ca 0.05 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 1pw3 s VAL 106 Cb -0.13 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1pw3 s VAL 106 CO 0.02 -0.13 1.28 -0.76 0.00 0.00 0.00 175.10 175.51 1pw3 s LEU 107 N 1.95 4.38 0.00 3.92 1.43 0.24 -4.96 118.68 125.65 1pw3 s LEU 107 Ca 0.10 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1pw3 s LEU 107 Cb -0.17 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1pw3 s LEU 107 CO 0.12 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.73