#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 0.06 0.24 1.20 -0.12 -1.26 -4.75 117.98 113.35 1pw3 s PHE 2 Ca 0.00 -0.45 0.11 0.00 -0.05 0.00 0.00 56.93 56.54 1pw3 s PHE 2 Cb 0.00 0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 1pw3 s PHE 2 CO 0.00 -1.06 -0.21 -1.64 -0.05 0.00 0.00 175.22 172.26 1pw3 s MET 3 N -3.95 1.58 -0.17 1.99 -1.94 -1.26 -4.96 119.30 110.59 1pw3 s MET 3 Ca 0.15 -1.65 0.01 0.00 -1.71 0.00 0.00 55.69 52.49 1pw3 s MET 3 Cb -0.03 -1.73 0.02 0.00 2.01 0.00 0.00 34.83 35.11 1pw3 s MET 3 CO 0.06 0.34 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.70 1pw3 s LEU 4 N -3.16 2.06 -0.18 -0.03 1.43 -1.26 -1.02 118.68 116.52 1pw3 s LEU 4 Ca 0.25 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1pw3 s LEU 4 Cb -0.06 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1pw3 s LEU 4 CO 0.12 0.01 0.00 0.20 0.23 0.00 0.00 176.35 176.91 1pw3 s ASN 5 N 1.23 5.05 0.18 2.29 0.01 0.05 -3.54 114.94 120.21 1pw3 s ASN 5 Ca 0.03 -0.09 0.10 0.00 -0.71 0.00 0.00 52.86 52.19 1pw3 s ASN 5 Cb -0.13 -1.85 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 1pw3 s ASN 5 CO -0.11 0.14 -0.21 -1.10 -1.51 0.00 0.00 177.10 174.31 1pw3 s GLN 6 N 0.56 1.40 0.51 -0.60 -0.21 -1.26 -1.04 119.66 119.02 1pw3 s GLN 6 Ca -0.01 -1.48 -0.23 0.00 0.02 0.00 0.00 55.36 53.66 1pw3 s GLN 6 Cb -0.14 -1.58 -0.06 0.00 1.00 0.00 0.00 33.01 32.23 1pw3 s GLN 6 CO 0.02 0.33 1.39 -1.25 -2.12 0.00 0.00 175.29 173.66 1pw3 s PRO 7 N -2.77 3.35 0.14 2.91 0.04 -1.26 -4.82 135.00 132.59 1pw3 s PRO 7 Ca 0.19 2.32 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 1pw3 s PRO 7 Cb -0.07 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1pw3 s PRO 7 CO 0.08 -1.05 1.77 0.45 0.04 0.00 0.00 177.00 178.29 1pw3 h HIS 8 N 1.80 0.51 -3.13 0.56 3.86 -1.97 -3.36 115.15 113.42 1pw3 h HIS 8 Ca -0.51 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.63 1pw3 h HIS 8 Cb 1.29 -0.17 -0.15 0.00 1.06 0.00 0.00 27.41 29.43 1pw3 h HIS 8 CO 0.47 0.37 -0.09 -1.54 0.86 0.00 0.00 177.93 178.01 1pw3 s SER 9 N -5.63 -0.27 0.04 2.45 1.04 -1.26 -1.73 113.70 108.33 1pw3 s SER 9 Ca -0.13 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 1pw3 s SER 9 Cb 0.10 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1pw3 s SER 9 CO 0.73 -0.72 -0.00 0.68 0.98 0.00 0.00 173.24 174.90 1pw3 s VAL 11 N -2.88 0.17 0.01 5.02 -7.23 -0.05 -4.92 120.40 110.52 1pw3 s VAL 11 Ca -0.03 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 1pw3 s VAL 11 Cb 0.00 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1pw3 s VAL 11 CO -0.05 -0.77 0.08 -0.94 -0.31 0.00 0.00 175.10 173.11 1pw3 s SER 12 N -2.33 0.10 0.21 4.85 1.04 -1.26 -0.70 113.70 115.62 1pw3 s SER 12 Ca -0.02 -0.30 -0.21 0.00 0.48 0.00 0.00 55.95 55.90 1pw3 s SER 12 Cb 0.01 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.34 1pw3 s SER 12 CO -0.06 -0.34 0.63 -0.70 0.98 0.00 0.00 173.24 173.74 1pw3 s GLU 13 N -1.39 1.50 0.36 4.02 2.56 -0.71 -4.97 118.70 120.06 1pw3 s GLU 13 Ca -0.15 -0.76 -0.01 0.00 0.00 0.00 0.00 54.97 54.04 1pw3 s GLU 13 Cb -0.08 0.58 -0.04 0.00 2.00 0.00 0.00 34.13 36.59 1pw3 s GLU 13 CO 0.01 -0.67 0.58 -1.54 -0.56 0.00 0.00 175.26 173.09 1pw3 s SER 14 N -2.84 6.32 0.44 -1.70 1.04 -1.26 0.54 113.70 116.24 1pw3 s SER 14 Ca 0.07 0.57 -0.24 0.00 0.48 0.00 0.00 55.95 56.83 1pw3 s SER 14 Cb -0.03 -2.09 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 1pw3 s SER 14 CO -0.03 -0.32 1.18 -0.81 0.98 0.00 0.00 173.24 174.24 1pw3 n PRO 15 N -1.69 1.67 0.00 4.02 -0.04 -1.26 -2.62 135.00 135.09 1pw3 n PRO 15 Ca -0.03 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1pw3 n PRO 15 Cb 0.56 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 0.95 3.29 3.95 0.55 0.00 0.78 -4.86 105.19 109.85 1pw3 n GLY 16 Ca 0.08 0.00 -0.26 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 -0.58 1.54 -0.12 1.61 -0.14 -1.08 -3.81 119.74 117.16 1pw3 s LYS 17 Ca 0.00 -0.64 -0.03 0.00 -1.36 0.00 0.00 55.97 53.94 1pw3 s LYS 17 Cb 0.00 -2.14 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 1pw3 s LYS 17 CO 0.00 -1.66 -0.01 0.99 -0.76 0.00 0.00 175.35 173.91 1pw3 s THR 18 N -3.39 4.18 0.01 2.17 2.01 -1.26 -1.41 115.64 117.95 1pw3 s THR 18 Ca 0.67 -0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.46 1pw3 s THR 18 Cb -0.07 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 1pw3 s THR 18 CO 0.47 0.55 -0.23 0.54 -0.69 0.00 0.00 174.62 175.25 1pw3 s VAL 19 N -0.26 1.83 -0.06 3.82 0.11 -0.34 -5.00 120.40 120.50 1pw3 s VAL 19 Ca 0.05 -1.11 0.05 0.00 -2.93 0.00 0.00 61.98 58.05 1pw3 s VAL 19 Cb -0.12 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.17 1pw3 s VAL 19 CO 0.02 0.41 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.09 1pw3 s THR 20 N -0.65 1.83 -0.18 5.04 2.01 -1.26 -0.95 115.64 121.48 1pw3 s THR 20 Ca 0.09 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1pw3 s THR 20 Cb -0.09 -1.56 0.02 0.00 0.01 0.00 0.00 72.50 70.88 1pw3 s THR 20 CO 0.00 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.62 1pw3 s ILE 21 N -0.00 2.07 0.40 1.82 1.01 -0.06 -4.99 121.20 121.44 1pw3 s ILE 21 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1pw3 s ILE 21 Cb -0.14 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1pw3 s ILE 21 CO 0.04 0.53 0.61 -0.94 0.00 0.00 0.00 174.94 175.18 1pw3 s SER 22 N 1.29 6.11 -0.25 3.58 1.04 -1.26 -0.68 113.70 123.53 1pw3 s SER 22 Ca 0.05 0.42 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 1pw3 s SER 22 Cb -0.13 -1.85 0.13 0.00 0.10 0.00 0.00 66.02 64.27 1pw3 s SER 22 CO -0.13 -0.47 0.34 0.00 0.98 0.00 0.00 173.24 173.95 1pw3 s THR 24 N 2.46 4.95 -0.17 0.00 2.01 -0.21 -0.09 115.64 124.60 1pw3 s THR 24 Ca 0.10 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1pw3 s THR 24 Cb -0.15 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1pw3 s THR 24 CO -0.22 0.48 0.60 -0.60 -0.69 0.00 0.00 174.62 174.20 1pw3 s ARG 25 N 0.13 4.26 0.28 4.92 3.52 -0.76 -0.77 118.95 130.52 1pw3 s ARG 25 Ca 0.06 0.61 0.11 0.00 -0.13 0.00 0.00 55.73 56.38 1pw3 s ARG 25 Cb -0.12 -3.53 0.37 0.00 -1.56 0.00 0.00 34.95 30.10 1pw3 s ARG 25 CO 0.00 -0.12 1.61 0.66 -0.81 0.00 0.00 175.30 176.64 1pw3 h SER 26 N 7.25 0.00 -4.49 -2.12 4.64 -1.41 -3.46 113.55 113.97 1pw3 h SER 26 Ca -0.35 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.88 1pw3 h SER 26 Cb 1.16 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.03 1pw3 h SER 26 CO 0.76 0.61 -0.12 -0.94 -0.87 0.00 0.00 176.83 176.27 1pw3 s SER 27 N -6.80 -0.44 0.12 4.97 1.04 -1.26 -4.95 113.70 106.38 1pw3 s SER 27 Ca -0.01 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1pw3 s SER 27 Cb 0.12 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1pw3 s SER 27 CO 0.76 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.24 1pw3 n GLY 27 N 1.92 -2.32 3.76 7.32 0.00 -1.26 -4.76 105.19 109.85 1pw3 n GLY 27 Ca -0.17 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1pw3 n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pw3 s ASN 27 N -5.28 7.35 0.44 1.61 0.02 -1.26 -4.95 114.94 112.87 1pw3 s ASN 27 Ca 0.00 1.61 0.17 0.00 -1.02 0.00 0.00 52.86 53.62 1pw3 s ASN 27 Cb 0.00 -2.50 1.10 0.00 0.02 0.00 0.00 41.25 39.87 1pw3 s ASN 27 CO 0.00 0.10 1.91 -0.29 0.02 0.00 0.00 177.10 178.84 1pw3 h ILE 28 N 3.71 0.75 0.00 0.60 6.09 -1.91 -0.71 117.51 126.04 1pw3 h ILE 28 Ca -0.45 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1pw3 h ILE 28 Cb 1.21 0.35 0.00 0.00 0.47 0.00 0.00 36.82 38.84 1pw3 h ILE 28 CO 0.69 0.07 0.00 0.47 -3.07 0.00 0.00 178.15 176.30 1pw3 n ASP 29 N -4.47 0.00 0.23 2.19 9.92 -1.26 -3.46 116.55 119.70 1pw3 n ASP 29 Ca 0.15 -0.39 0.13 0.00 -0.53 0.00 0.00 54.79 54.15 1pw3 n ASP 29 Cb 0.60 -0.16 0.32 0.00 -0.64 0.00 0.00 41.12 41.24 1pw3 n ASP 29 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1pw3 h SER 30 N 0.00 0.00 -4.70 -2.24 4.64 -1.52 -3.45 113.55 106.28 1pw3 h SER 30 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1pw3 h SER 30 Cb 0.12 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.00 1pw3 h SER 30 CO 0.00 0.05 -0.38 0.20 -0.87 0.00 0.00 176.83 175.83 1pw3 s ASN 31 N -6.08 -0.14 0.56 4.97 -0.87 -1.22 -5.11 114.94 107.05 1pw3 s ASN 31 Ca 0.05 0.10 -0.20 0.00 -1.57 0.00 0.00 52.86 51.23 1pw3 s ASN 31 Cb 0.07 0.33 -0.04 0.00 -0.02 0.00 0.00 41.25 41.59 1pw3 s ASN 31 CO 0.64 -0.33 1.25 -0.31 -2.57 0.00 0.00 177.10 175.78 1pw3 s TYR 32 N -0.99 2.40 -0.07 2.20 2.02 -1.26 -4.88 117.35 116.77 1pw3 s TYR 32 Ca -0.11 1.47 -0.00 0.00 -0.37 0.00 0.00 57.07 58.07 1pw3 s TYR 32 Cb -0.05 -3.58 -0.03 0.00 -0.40 0.00 0.00 41.96 37.89 1pw3 s TYR 32 CO 0.02 -2.38 -0.04 0.08 -1.57 0.00 0.00 175.55 171.67 1pw3 s VAL 33 N -1.48 3.97 0.04 0.71 1.01 -1.26 -4.27 120.40 119.12 1pw3 s VAL 33 Ca 0.74 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.40 1pw3 s VAL 33 Cb -0.34 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1pw3 s VAL 33 CO 0.38 0.59 -0.20 -1.58 0.00 0.00 0.00 175.10 174.30 1pw3 s GLN 34 N -0.87 1.35 -0.04 2.72 0.74 0.60 -0.71 119.66 123.44 1pw3 s GLN 34 Ca 0.13 -0.90 0.06 0.00 0.05 0.00 0.00 55.36 54.71 1pw3 s GLN 34 Cb -0.11 -1.43 -0.01 0.00 1.10 0.00 0.00 33.01 32.55 1pw3 s GLN 34 CO 0.02 0.37 -0.24 -1.58 -0.55 0.00 0.00 175.29 173.31 1pw3 s TRP 35 N -0.78 2.23 0.02 1.67 0.52 0.57 -0.69 118.94 122.48 1pw3 s TRP 35 Ca 0.07 -0.56 0.08 0.00 0.02 0.00 0.00 56.10 55.71 1pw3 s TRP 35 Cb -0.09 -1.45 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 1pw3 s TRP 35 CO 0.01 -0.14 -0.25 0.71 0.02 0.00 0.00 176.95 177.31 1pw3 s TYR 36 N -0.31 2.22 -0.14 -1.98 2.02 0.17 -0.61 117.35 118.72 1pw3 s TYR 36 Ca 0.02 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1pw3 s TYR 36 Cb -0.12 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1pw3 s TYR 36 CO 0.02 0.07 -0.01 -1.14 -1.57 0.00 0.00 175.55 172.91 1pw3 s GLN 37 N -1.02 3.54 -0.05 -0.62 0.74 0.52 -1.49 119.66 121.27 1pw3 s GLN 37 Ca 0.10 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.06 1pw3 s GLN 37 Cb -0.10 -2.93 0.02 0.00 1.10 0.00 0.00 33.01 31.10 1pw3 s GLN 37 CO 0.01 0.37 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.95 1pw3 s GLN 38 N 0.03 0.81 0.25 1.67 0.74 0.57 -1.10 119.66 122.63 1pw3 s GLN 38 Ca 0.02 -0.06 0.02 0.00 0.05 0.00 0.00 55.36 55.39 1pw3 s GLN 38 Cb -0.13 -0.91 -0.03 0.00 1.10 0.00 0.00 33.01 33.03 1pw3 s GLN 38 CO 0.02 -0.15 0.41 1.03 -0.55 0.00 0.00 175.29 176.05 1pw3 s ARG 39 N 1.23 3.47 0.11 1.67 0.52 -1.26 -1.76 118.95 122.93 1pw3 s ARG 39 Ca -0.06 -0.52 -0.35 0.00 -0.52 0.00 0.00 55.73 54.27 1pw3 s ARG 39 Cb -0.14 -2.82 -0.15 0.00 0.52 0.00 0.00 34.95 32.36 1pw3 s ARG 39 CO -0.02 0.36 1.51 -2.30 0.02 0.00 0.00 175.30 174.87 1pw3 n PRO 40 N -1.23 1.75 -1.08 3.54 -0.02 -1.26 -2.19 135.00 134.51 1pw3 n PRO 40 Ca -0.07 0.63 -0.03 0.00 -2.02 0.00 0.00 63.50 62.02 1pw3 n PRO 40 Cb 0.56 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1pw3 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pw3 n GLY 41 N 3.15 0.58 3.31 -1.23 0.00 -1.26 -5.00 105.19 104.74 1pw3 n GLY 41 Ca 0.18 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 1pw3 n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pw3 s SER 42 N -2.39 2.46 0.57 1.61 0.15 -0.93 -5.14 113.70 110.03 1pw3 s SER 42 Ca 0.00 -0.92 -0.20 0.00 0.70 0.00 0.00 55.95 55.54 1pw3 s SER 42 Cb 0.00 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1pw3 s SER 42 CO 0.00 -0.12 1.21 0.00 1.20 0.00 0.00 173.24 175.53 1pw3 s ALA 43 N -2.46 2.63 0.19 5.45 0.00 -1.26 -4.61 121.76 121.70 1pw3 s ALA 43 Ca 0.17 1.02 -0.32 0.00 0.00 0.00 0.00 51.96 52.83 1pw3 s ALA 43 Cb -0.03 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 1pw3 s ALA 43 CO 0.06 -1.10 1.74 -2.30 0.00 0.00 0.00 175.76 174.15 1pw3 n PRO 44 N -1.39 2.76 -4.36 0.00 -0.02 -1.26 -4.68 135.00 126.04 1pw3 n PRO 44 Ca 0.12 1.00 -0.34 0.00 -2.02 0.00 0.00 63.50 62.26 1pw3 n PRO 44 Cb 0.49 -2.85 -0.12 0.00 -0.02 0.00 0.00 33.50 31.00 1pw3 n PRO 44 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pw3 s ILE 45 N 1.39 3.97 0.01 4.25 1.09 -0.25 -4.93 121.20 126.73 1pw3 s ILE 45 Ca 0.76 -0.33 -0.30 0.00 -1.10 0.00 0.00 60.65 59.68 1pw3 s ILE 45 Cb -0.51 -2.74 -0.06 0.00 -1.06 0.00 0.00 42.46 38.09 1pw3 s ILE 45 CO 0.33 0.49 1.47 -0.89 -0.10 0.00 0.00 174.94 176.24 1pw3 s THR 46 N 0.37 3.56 -0.03 2.92 2.01 -1.26 -0.36 115.64 122.85 1pw3 s THR 46 Ca -0.03 0.95 0.11 0.00 0.31 0.00 0.00 61.69 63.03 1pw3 s THR 46 Cb -0.14 -3.61 -0.17 0.00 0.01 0.00 0.00 72.50 68.59 1pw3 s THR 46 CO 0.03 -0.01 0.21 1.33 -0.69 0.00 0.00 174.62 175.49 1pw3 n VAL 47 N 4.72 0.14 -3.77 3.82 0.24 0.22 -4.76 118.33 118.95 1pw3 n VAL 47 Ca 0.14 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1pw3 n VAL 47 Cb 0.43 0.05 -0.14 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.71 -0.03 0.20 1.34 -1.09 -1.05 -4.28 121.20 113.57 1pw3 s ILE 48 Ca -0.04 0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 1pw3 s ILE 48 Cb 0.07 -0.24 -0.05 0.00 -1.58 0.00 0.00 42.46 40.66 1pw3 s ILE 48 CO 0.48 0.05 -0.03 -0.72 -1.23 0.00 0.00 174.94 173.49 1pw3 s TYR 49 N 0.85 1.41 -1.40 3.97 -0.85 0.13 -0.32 117.35 121.15 1pw3 s TYR 49 Ca -0.06 -0.89 -0.04 0.00 -0.52 0.00 0.00 57.07 55.56 1pw3 s TYR 49 Cb -0.08 -0.79 0.00 0.00 0.38 0.00 0.00 41.96 41.47 1pw3 s TYR 49 CO -0.04 -0.03 0.38 0.39 -1.52 0.00 0.00 175.55 174.73 1pw3 n GLU 50 N -0.32 -2.44 0.00 -3.49 1.02 -1.20 -1.07 120.64 113.13 1pw3 n GLU 50 Ca -0.07 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1pw3 n GLU 50 Cb 0.63 -4.18 0.00 0.00 -0.02 0.00 0.00 31.44 27.87 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 -2.89 0.00 0.00 1.62 8.00 0.11 -4.05 116.55 119.34 1pw3 n ASP 51 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.22 1pw3 n ASP 51 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 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 1.90 0.00 -4.71 -2.24 0.23 -1.16 -3.48 115.26 105.81 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 4.35 -0.14 -3.83 -1.52 -0.24 -4.58 119.66 113.70 1pw3 s GLN 53 Ca 0.00 0.62 -0.20 0.00 -1.95 0.00 0.00 55.36 53.83 1pw3 s GLN 53 Cb 0.00 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.29 1pw3 s GLN 53 CO 0.00 0.05 0.56 1.03 -0.25 0.00 0.00 175.29 176.68 1pw3 s ARG 54 N 0.94 4.30 1.05 2.91 0.52 -1.26 -0.69 118.95 126.72 1pw3 s ARG 54 Ca 0.30 0.57 -0.13 0.00 -0.52 0.00 0.00 55.73 55.95 1pw3 s ARG 54 Cb -0.16 -3.49 0.22 0.00 0.52 0.00 0.00 34.95 32.03 1pw3 s ARG 54 CO 0.13 -0.01 1.07 -1.25 0.02 0.00 0.00 175.30 175.26 1pw3 s PRO 55 N 1.15 0.02 0.36 3.54 0.04 -1.26 -4.94 135.00 133.90 1pw3 s PRO 55 Ca 0.28 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 1pw3 s PRO 55 Cb -0.16 -1.68 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 1pw3 s PRO 55 CO 0.12 -3.03 1.50 -1.13 0.04 0.00 0.00 177.00 174.50 1pw3 n SER 56 N -4.40 3.75 0.00 6.66 3.41 -1.26 -2.76 113.62 119.02 1pw3 n SER 56 Ca 0.05 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1pw3 n SER 56 Cb 0.56 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 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 0.82 0.82 3.63 5.00 0.00 -1.26 -5.04 105.19 109.16 1pw3 n GLY 57 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.20 5.17 0.60 1.61 1.01 -1.11 -5.07 120.40 119.40 1pw3 s VAL 58 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1pw3 s VAL 58 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1pw3 s VAL 58 CO 0.00 0.35 1.21 -2.65 0.00 0.00 0.00 175.10 174.01 1pw3 n PRO 59 N 4.34 1.23 0.16 2.72 -0.02 -1.26 -4.88 135.00 137.28 1pw3 n PRO 59 Ca -0.15 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 1pw3 n PRO 59 Cb 0.52 -2.42 0.58 0.00 -0.02 0.00 0.00 33.50 32.15 1pw3 n PRO 59 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1pw3 h ASP 60 N 0.81 0.00 0.67 2.55 3.32 -1.99 -2.49 116.42 119.29 1pw3 h ASP 60 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1pw3 h ASP 60 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1pw3 h ASP 60 CO 0.54 0.00 0.00 -2.11 -1.72 0.00 0.00 179.24 175.95 1pw3 n ARG 61 N -2.29 0.09 -3.22 3.56 1.85 -1.26 -4.62 116.66 110.76 1pw3 n ARG 61 Ca -0.00 0.30 -0.39 0.00 -1.00 0.00 0.00 57.85 56.76 1pw3 n ARG 61 Cb 0.10 -1.67 -0.06 0.00 -1.05 0.00 0.00 32.46 29.78 1pw3 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1pw3 s PHE 62 N -3.14 3.42 -0.02 2.89 0.40 -0.94 -1.49 117.98 119.10 1pw3 s PHE 62 Ca 0.06 0.86 0.01 0.00 -0.60 0.00 0.00 56.93 57.26 1pw3 s PHE 62 Cb 0.10 -2.68 0.02 0.00 0.51 0.00 0.00 43.02 40.97 1pw3 s PHE 62 CO 0.35 -0.05 -0.02 0.00 0.70 0.00 0.00 175.22 176.20 1pw3 s ALA 63 N 1.42 0.38 0.05 5.36 0.00 -0.20 -4.94 121.76 123.83 1pw3 s ALA 63 Ca 0.26 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1pw3 s ALA 63 Cb -0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1pw3 s ALA 63 CO 0.10 -0.00 0.06 0.20 0.00 0.00 0.00 175.76 176.12 1pw3 s GLY 64 N 0.61 1.99 0.15 0.00 0.00 -1.26 -0.01 107.32 108.80 1pw3 s GLY 64 Ca -0.07 -0.97 -0.09 0.00 0.00 0.00 0.00 44.72 43.59 1pw3 s GLY 64 CO -0.01 -0.91 0.26 -1.35 0.00 0.00 0.00 173.10 171.09 1pw3 s SER 65 N -2.10 0.06 -0.06 1.64 1.04 -0.49 -4.44 113.70 109.35 1pw3 s SER 65 Ca 0.26 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.90 1pw3 s SER 65 Cb -0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1pw3 s SER 65 CO 0.18 -0.86 -0.17 -0.63 0.98 0.00 0.00 173.24 172.74 1pw3 s ILE 66 N -3.95 1.45 -0.35 -1.02 -1.09 -1.26 -1.36 121.20 113.62 1pw3 s ILE 66 Ca 0.15 -0.70 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 1pw3 s ILE 66 Cb 0.04 -1.26 0.10 0.00 -1.58 0.00 0.00 42.46 39.76 1pw3 s ILE 66 CO -0.02 0.42 0.08 -0.62 -1.23 0.00 0.00 174.94 173.57 1pw3 s ASP 66 N 0.22 4.56 0.38 3.58 3.68 0.17 -4.99 116.67 124.28 1pw3 s ASP 66 Ca -0.08 -2.14 0.07 0.00 2.13 0.00 0.00 52.55 52.52 1pw3 s ASP 66 Cb -0.13 -1.47 0.77 0.00 -1.45 0.00 0.00 42.92 40.64 1pw3 s ASP 66 CO 0.03 -0.37 1.98 0.77 0.13 0.00 0.00 175.17 177.71 1pw3 h SER 66 N 7.59 0.44 0.44 -0.34 4.64 -1.95 -1.33 113.55 123.03 1pw3 h SER 66 Ca -0.06 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1pw3 h SER 66 Cb 1.01 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1pw3 h SER 66 CO 0.52 0.41 0.00 -1.54 -0.87 0.00 0.00 176.83 175.36 1pw3 n SER 67 N -4.39 0.03 0.00 4.97 3.41 -1.26 -1.53 113.62 114.85 1pw3 n SER 67 Ca 0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1pw3 n SER 67 Cb 0.15 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1pw3 n SER 67 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pw3 n SER 68 N -1.53 1.06 -3.99 4.04 3.41 -0.99 -5.02 113.62 110.60 1pw3 n SER 68 Ca 0.03 -1.43 -0.30 0.00 -0.26 0.00 0.00 58.87 56.91 1pw3 n SER 68 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.21 -2.80 -4.27 4.04 5.15 -0.58 -4.82 115.26 111.75 1pw3 n ASN 69 Ca 0.00 -0.91 -0.15 0.00 -0.60 0.00 0.00 54.58 52.92 1pw3 n ASN 69 Cb 0.26 -3.38 -0.10 0.00 -0.53 0.00 0.00 39.78 36.03 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 1.48 0.21 1.20 1.04 -0.62 -1.84 113.70 111.48 1pw3 s SER 70 Ca 0.44 -1.17 0.11 0.00 0.48 0.00 0.00 55.95 55.81 1pw3 s SER 70 Cb -0.23 0.07 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 1pw3 s SER 70 CO 0.87 -0.53 -0.22 0.00 0.98 0.00 0.00 173.24 174.35 1pw3 s ALA 71 N -3.54 2.47 0.01 5.32 0.00 0.87 -0.65 121.76 126.23 1pw3 s ALA 71 Ca 0.25 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.54 1pw3 s ALA 71 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1pw3 s ALA 71 CO 0.05 0.34 -0.03 -1.12 0.00 0.00 0.00 175.76 175.01 1pw3 s SER 72 N -2.90 0.27 -0.20 0.00 0.01 -0.46 -0.03 113.70 110.38 1pw3 s SER 72 Ca 0.22 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.20 1pw3 s SER 72 Cb -0.06 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1pw3 s SER 72 CO 0.10 -0.10 0.00 -0.22 0.41 0.00 0.00 173.24 173.43 1pw3 s LEU 73 N -0.64 3.27 -0.18 2.44 2.96 0.15 -1.39 118.68 125.28 1pw3 s LEU 73 Ca -0.06 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1pw3 s LEU 73 Cb -0.04 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1pw3 s LEU 73 CO -0.00 0.06 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.05 1pw3 s THR 74 N 1.05 2.60 -0.27 3.68 2.01 0.98 -0.89 115.64 124.81 1pw3 s THR 74 Ca 0.02 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 1pw3 s THR 74 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.25 1pw3 s THR 74 CO 0.02 0.50 0.02 -0.63 -0.69 0.00 0.00 174.62 173.84 1pw3 s ILE 75 N 1.21 3.60 0.31 1.82 1.01 -0.12 -1.03 121.20 128.01 1pw3 s ILE 75 Ca 0.02 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1pw3 s ILE 75 Cb -0.14 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1pw3 s ILE 75 CO -0.07 0.17 0.45 -0.94 0.00 0.00 0.00 174.94 174.56 1pw3 s SER 76 N 1.45 6.10 -1.42 3.58 1.04 -0.55 -1.20 113.70 122.70 1pw3 s SER 76 Ca 0.02 -0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 1pw3 s SER 76 Cb -0.17 -1.51 0.02 0.00 0.10 0.00 0.00 66.02 64.46 1pw3 s SER 76 CO -0.00 -0.33 0.51 0.61 0.98 0.00 0.00 173.24 175.02 1pw3 n GLY 77 N -1.61 -0.26 3.57 7.32 0.00 -1.11 -4.77 105.19 108.34 1pw3 n GLY 77 Ca -0.03 0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.39 1.44 -4.37 0.99 7.94 -0.50 -4.45 117.00 113.66 1pw3 n LEU 78 Ca -0.27 1.15 -0.22 0.00 -1.11 0.00 0.00 56.01 55.56 1pw3 n LEU 78 Cb 0.67 -1.21 -0.11 0.00 0.53 0.00 0.00 43.42 43.29 1pw3 n LEU 78 CO 0.75 -1.39 -0.48 -0.54 -1.11 0.00 0.00 177.39 174.62 1pw3 s LYS 79 N -0.56 1.39 0.29 1.96 1.02 -1.26 -0.16 119.74 122.42 1pw3 s LYS 79 Ca 0.71 -1.52 0.04 0.00 0.02 0.00 0.00 55.97 55.23 1pw3 s LYS 79 Cb -0.84 -1.45 0.67 0.00 -0.52 0.00 0.00 37.83 35.70 1pw3 s LYS 79 CO 0.53 0.29 1.79 1.15 -0.92 0.00 0.00 175.35 178.19 1pw3 h THR 80 N 2.97 0.77 0.00 2.17 2.02 -1.95 -0.35 112.91 118.55 1pw3 h THR 80 Ca -0.42 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1pw3 h THR 80 Cb 1.22 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1pw3 h THR 80 CO 0.54 0.15 0.00 1.05 0.37 0.00 0.00 175.52 177.63 1pw3 h GLU 81 N 0.83 0.00 0.00 6.66 4.11 -2.00 -2.09 114.58 122.08 1pw3 h GLU 81 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1pw3 h GLU 81 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1pw3 h GLU 81 CO -0.35 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.48 1pw3 n ASP 82 N -2.92 0.67 -4.63 3.06 8.00 -0.14 -4.73 116.55 115.87 1pw3 n ASP 82 Ca -0.02 0.63 -0.43 0.00 0.71 0.00 0.00 54.79 55.69 1pw3 n ASP 82 Cb 0.13 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 1pw3 n ASP 82 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1pw3 n GLU 83 N -2.20 2.39 -3.92 -1.24 2.13 -0.79 -4.85 120.64 112.16 1pw3 n GLU 83 Ca 0.03 0.78 0.02 0.00 0.66 0.00 0.00 57.16 58.65 1pw3 n GLU 83 Cb 0.29 -3.13 0.01 0.00 0.27 0.00 0.00 31.44 28.88 1pw3 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pw3 s ALA 84 N 6.48 -2.34 0.01 4.31 0.00 -1.13 -4.99 121.76 124.10 1pw3 s ALA 84 Ca 0.95 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 1pw3 s ALA 84 Cb -0.39 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1pw3 s ALA 84 CO 0.39 -1.13 0.31 -0.51 0.00 0.00 0.00 175.76 174.82 1pw3 s ASP 85 N -3.64 6.56 -0.04 0.00 1.01 -0.72 -1.07 116.67 118.77 1pw3 s ASP 85 Ca 0.26 0.66 0.04 0.00 0.71 0.00 0.00 52.55 54.22 1pw3 s ASP 85 Cb 0.00 -2.13 -0.00 0.00 1.01 0.00 0.00 42.92 41.80 1pw3 s ASP 85 CO -0.01 0.25 -0.16 -0.31 0.21 0.00 0.00 175.17 175.16 1pw3 s TYR 86 N -1.28 1.58 -0.05 4.23 1.51 0.18 -0.32 117.35 123.21 1pw3 s TYR 86 Ca 0.27 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1pw3 s TYR 86 Cb -0.14 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1pw3 s TYR 86 CO 0.15 -0.15 -0.15 0.71 -1.11 0.00 0.00 175.55 174.99 1pw3 s TYR 87 N 0.07 1.60 0.32 2.71 2.02 -0.55 -0.55 117.35 122.97 1pw3 s TYR 87 Ca -0.04 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 1pw3 s TYR 87 Cb -0.11 -1.11 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 1pw3 s TYR 87 CO 0.02 -0.20 0.52 0.00 -1.57 0.00 0.00 175.55 174.32 1pw3 s GLN 89 N -4.15 0.65 0.00 0.00 -0.44 0.13 -0.56 119.66 115.29 1pw3 s GLN 89 Ca 0.40 0.65 0.00 0.00 -2.50 0.00 0.00 55.36 53.91 1pw3 s GLN 89 Cb -0.10 0.31 0.00 0.00 -1.64 0.00 0.00 33.01 31.58 1pw3 s GLN 89 CO 0.35 -0.10 0.00 0.45 0.50 0.00 0.00 175.29 176.49 1pw3 n SER 90 N 2.59 0.00 -4.19 6.67 2.88 -0.58 -0.29 113.62 120.69 1pw3 n SER 90 Ca -0.14 -0.43 -0.19 0.00 -1.33 0.00 0.00 58.87 56.77 1pw3 n SER 90 Cb 0.56 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 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 -2.49 1.32 -0.35 0.66 2.02 -1.26 -1.02 117.35 116.23 1pw3 s TYR 91 Ca 0.00 -0.45 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1pw3 s TYR 91 Cb 0.00 -0.74 0.12 0.00 -0.40 0.00 0.00 41.96 40.94 1pw3 s TYR 91 CO 0.00 0.08 1.10 -0.40 -1.57 0.00 0.00 175.55 174.77 1pw3 n ASP 92 N 1.25 2.37 -2.98 2.29 5.75 -0.68 -4.82 116.55 119.73 1pw3 n ASP 92 Ca -0.21 -2.03 -0.11 0.00 -0.01 0.00 0.00 54.79 52.44 1pw3 n ASP 92 Cb 0.54 -0.10 0.05 0.00 -1.03 0.00 0.00 41.12 40.58 1pw3 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pw3 n ALA 93 N -0.13 -2.24 0.00 2.12 0.00 -1.26 -4.70 120.51 114.29 1pw3 n ALA 93 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1pw3 n ALA 93 Cb 0.33 -4.42 0.00 0.00 0.00 0.00 0.00 19.45 15.36 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 -2.76 0.00 -3.57 0.00 3.00 -1.26 -5.12 116.66 106.96 1pw3 n ARG 94 Ca -0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.65 1pw3 n ARG 94 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.98 1pw3 n ARG 94 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1pw3 s ASN 95 N 0.00 -0.63 0.18 6.15 3.84 -1.26 -5.15 114.94 118.08 1pw3 s ASN 95 Ca 0.00 0.90 -0.28 0.00 0.21 0.00 0.00 52.86 53.69 1pw3 s ASN 95 Cb 0.00 0.80 -0.08 0.00 -0.55 0.00 0.00 41.25 41.42 1pw3 s ASN 95 CO 0.00 -0.43 0.86 -0.69 -2.79 0.00 0.00 177.10 174.05 1pw3 s VAL 96 N -0.60 4.28 -0.11 -5.21 1.01 -1.26 -1.69 120.40 116.82 1pw3 s VAL 96 Ca -0.05 1.89 0.02 0.00 0.00 0.00 0.00 61.98 63.84 1pw3 s VAL 96 Cb -0.02 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1pw3 s VAL 96 CO 0.05 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.77 1pw3 s VAL 97 N -0.98 2.73 -0.09 2.92 1.01 -0.19 -4.96 120.40 120.84 1pw3 s VAL 97 Ca 0.39 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1pw3 s VAL 97 Cb -0.24 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1pw3 s VAL 97 CO 0.29 0.54 -0.03 -0.36 0.00 0.00 0.00 175.10 175.54 1pw3 s PHE 98 N 0.22 3.05 0.98 5.22 0.40 -1.26 -1.53 117.98 125.05 1pw3 s PHE 98 Ca -0.11 0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.17 1pw3 s PHE 98 Cb -0.16 -1.78 0.18 0.00 0.51 0.00 0.00 43.02 41.77 1pw3 s PHE 98 CO 0.06 0.35 1.09 0.20 0.70 0.00 0.00 175.22 177.61 1pw3 s GLY 99 N -0.69 1.61 0.07 4.36 0.00 0.28 -4.49 107.32 108.47 1pw3 s GLY 99 Ca 0.11 0.09 0.25 0.00 0.00 0.00 0.00 44.72 45.16 1pw3 s GLY 99 CO 0.02 0.62 1.78 0.61 0.00 0.00 0.00 173.10 176.14 1pw3 n GLY 100 N -0.24 -1.43 0.00 0.20 0.00 -1.23 -4.78 105.19 97.71 1pw3 n GLY 100 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.03 0.14 2.89 -0.02 0.00 -1.26 -5.04 105.19 102.93 1pw3 n GLY 101 Ca 0.06 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.89 0.73 -0.23 2.61 2.01 0.29 -4.46 115.64 113.70 1pw3 s THR 102 Ca 0.00 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 1pw3 s THR 102 Cb 0.00 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.76 1pw3 s THR 102 CO 0.00 0.29 0.93 -0.60 -0.69 0.00 0.00 174.62 174.55 1pw3 s ARG 103 N 1.28 4.23 -0.27 4.92 3.52 -0.70 -0.65 118.95 131.28 1pw3 s ARG 103 Ca -0.05 1.16 -0.12 0.00 -0.13 0.00 0.00 55.73 56.59 1pw3 s ARG 103 Cb -0.14 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 1pw3 s ARG 103 CO -0.02 -0.55 0.23 -1.17 -0.81 0.00 0.00 175.30 172.98 1pw3 s LEU 104 N 2.94 4.03 -0.19 -0.88 2.96 -0.23 -0.87 118.68 126.44 1pw3 s LEU 104 Ca 0.40 0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 54.29 1pw3 s LEU 104 Cb -0.15 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1pw3 s LEU 104 CO 0.07 -0.08 0.11 -0.89 -1.32 0.00 0.00 176.35 174.25 1pw3 s THR 105 N 1.79 5.23 -0.31 3.68 2.01 0.13 -2.84 115.64 125.33 1pw3 s THR 105 Ca 0.09 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.08 1pw3 s THR 105 Cb -0.16 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1pw3 s THR 105 CO 0.10 0.46 0.27 -0.69 -0.69 0.00 0.00 174.62 174.07 1pw3 s VAL 106 N 0.27 5.25 0.83 3.82 1.01 -1.26 -1.74 120.40 128.58 1pw3 s VAL 106 Ca 0.07 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 1pw3 s VAL 106 Cb -0.11 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.68 1pw3 s VAL 106 CO -0.01 0.08 1.09 -0.76 0.00 0.00 0.00 175.10 175.50 1pw3 s LEU 107 N 1.86 2.57 0.00 3.92 2.01 0.19 -4.96 118.68 124.27 1pw3 s LEU 107 Ca 0.09 1.53 0.00 0.00 0.01 0.00 0.00 54.13 55.76 1pw3 s LEU 107 Cb -0.16 -4.09 0.00 0.00 0.01 0.00 0.00 46.19 41.95 1pw3 s LEU 107 CO 0.11 -2.27 0.00 0.61 1.01 0.00 0.00 176.35 175.81