#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng5 n PRO 11 N 5.51 0.69 -3.41 0.00 -0.04 -1.26 -4.76 135.00 131.73 3ng5 n PRO 11 Ca -0.05 -0.43 -0.10 0.00 -0.04 0.00 0.00 63.50 62.88 3ng5 n PRO 11 Cb 0.50 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 3ng5 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ng5 s LEU 12 N -2.61 -0.57 0.09 1.53 2.96 -1.25 -0.38 118.68 118.45 3ng5 s LEU 12 Ca 0.21 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 3ng5 s LEU 12 Cb 0.19 1.06 -0.04 0.00 0.50 0.00 0.00 46.19 47.89 3ng5 s LEU 12 CO 0.57 -0.29 -0.07 0.00 -1.32 0.00 0.00 176.35 175.23 3ng5 s MET 13 N 2.53 0.81 -0.02 1.98 0.23 -0.45 -4.37 119.30 120.00 3ng5 s MET 13 Ca 0.10 -1.24 0.04 0.00 -1.03 0.00 0.00 55.69 53.56 3ng5 s MET 13 Cb -0.15 -0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 32.86 3ng5 s MET 13 CO -0.15 0.01 -0.13 0.08 -2.03 0.00 0.00 175.02 172.80 3ng5 s VAL 14 N -3.15 1.05 -0.10 5.16 1.01 -0.94 -0.57 120.40 122.86 3ng5 s VAL 14 Ca 0.08 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3ng5 s VAL 14 Cb 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.51 3ng5 s VAL 14 CO -0.03 0.30 -0.22 -0.75 0.00 0.00 0.00 175.10 174.41 3ng5 s LYS 15 N -0.16 2.79 -0.08 2.72 2.36 -0.12 -0.98 119.74 126.27 3ng5 s LYS 15 Ca 0.02 -0.79 0.02 0.00 -2.55 0.00 0.00 55.97 52.68 3ng5 s LYS 15 Cb -0.07 -2.15 0.01 0.00 -1.05 0.00 0.00 37.83 34.58 3ng5 s LYS 15 CO 0.00 0.13 -0.15 0.08 1.55 0.00 0.00 175.35 176.96 3ng5 s VAL 16 N 0.46 1.36 0.12 4.02 1.01 0.38 -1.07 120.40 126.68 3ng5 s VAL 16 Ca -0.17 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.30 3ng5 s VAL 16 Cb -0.17 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3ng5 s VAL 16 CO 0.07 0.41 -0.14 -0.76 0.00 0.00 0.00 175.10 174.67 3ng5 s LEU 17 N 0.71 2.85 -0.34 3.92 1.43 -0.37 -1.26 118.68 125.62 3ng5 s LEU 17 Ca -0.13 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 3ng5 s LEU 17 Cb -0.16 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.41 3ng5 s LEU 17 CO 0.03 0.17 0.17 -0.62 0.23 0.00 0.00 176.35 176.34 3ng5 s ASP 18 N -2.24 5.62 0.32 2.29 -1.08 0.13 -1.09 116.67 120.63 3ng5 s ASP 18 Ca 0.20 -0.75 0.26 0.00 -0.52 0.00 0.00 52.55 51.74 3ng5 s ASP 18 Cb -0.11 -2.01 0.83 0.00 -1.46 0.00 0.00 42.92 40.18 3ng5 s ASP 18 CO 0.12 -0.28 1.76 0.00 0.52 0.00 0.00 175.17 177.28 3ng5 h ALA 19 N 8.38 1.00 0.12 3.66 0.00 -1.42 -0.33 119.26 130.67 3ng5 h ALA 19 Ca -0.29 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 3ng5 h ALA 19 Cb 1.13 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.94 3ng5 h ALA 19 CO 0.64 0.00 -0.97 0.28 0.00 0.00 0.00 179.25 179.20 3ng5 h VAL 20 N 0.00 1.40 0.00 0.00 2.07 -1.94 -3.38 116.25 114.40 3ng5 h VAL 20 Ca 0.00 -2.43 -0.12 0.00 0.82 0.00 0.00 66.70 64.97 3ng5 h VAL 20 Cb 0.67 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 3ng5 h VAL 20 CO 0.00 0.71 -1.68 -1.14 0.02 0.00 0.00 177.57 175.48 3ng5 n ARG 21 N -4.00 0.64 -2.41 1.57 3.00 -1.22 -4.99 116.66 109.24 3ng5 n ARG 21 Ca -0.13 0.04 -0.04 0.00 -0.00 0.00 0.00 57.85 57.71 3ng5 n ARG 21 Cb 0.87 -1.68 0.02 0.00 0.00 0.00 0.00 32.46 31.67 3ng5 n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ng5 n GLY 22 N 1.38 0.31 3.48 5.14 0.00 -0.16 -5.05 105.19 110.30 3ng5 n GLY 22 Ca -0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 3ng5 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ng5 s SER 23 N -3.28 -0.21 0.60 1.61 1.04 -1.08 -5.01 113.70 107.37 3ng5 s SER 23 Ca 0.02 -0.53 -0.20 0.00 0.48 0.00 0.00 55.95 55.72 3ng5 s SER 23 Cb -0.01 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 3ng5 s SER 23 CO 0.17 -1.01 1.33 -2.16 0.98 0.00 0.00 173.24 172.54 3ng5 s PRO 24 N -3.88 2.83 -0.41 4.02 0.04 -1.26 0.20 135.00 136.54 3ng5 s PRO 24 Ca 0.10 2.15 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 3ng5 s PRO 24 Cb -0.00 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.52 3ng5 s PRO 24 CO -0.03 -1.41 0.72 0.00 0.04 0.00 0.00 177.00 176.33 3ng5 s ALA 25 N -1.35 3.36 0.01 8.56 0.00 -0.39 -4.56 121.76 127.39 3ng5 s ALA 25 Ca 0.77 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 3ng5 s ALA 25 Cb -0.39 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 3ng5 s ALA 25 CO 0.44 -1.70 0.34 0.42 0.00 0.00 0.00 175.76 175.26 3ng5 s ILE 26 N 3.04 5.17 -1.49 0.00 -1.09 -1.26 -4.19 121.20 121.38 3ng5 s ILE 26 Ca 0.27 0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 59.13 3ng5 s ILE 26 Cb -0.13 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 3ng5 s ILE 26 CO 0.19 0.44 0.75 0.59 -1.23 0.00 0.00 174.94 175.69 3ng5 n ASN 27 N 1.39 -6.16 -4.64 3.58 3.02 -0.49 -4.95 115.26 107.00 3ng5 n ASN 27 Ca -0.12 -0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 53.66 3ng5 n ASN 27 Cb 0.53 -4.92 -0.04 0.00 -0.61 0.00 0.00 39.78 34.73 3ng5 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ng5 s VAL 28 N -3.21 4.82 0.40 2.41 1.01 -1.26 -4.77 120.40 119.80 3ng5 s VAL 28 Ca 0.37 1.59 -0.24 0.00 0.00 0.00 0.00 61.98 63.70 3ng5 s VAL 28 Cb -0.16 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 3ng5 s VAL 28 CO 0.46 -0.09 1.08 0.00 0.00 0.00 0.00 175.10 176.55 3ng5 s ALA 29 N 2.89 3.09 0.02 5.51 0.00 -1.26 -1.25 121.76 130.75 3ng5 s ALA 29 Ca 0.36 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3ng5 s ALA 29 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3ng5 s ALA 29 CO 0.07 -0.31 -0.04 -1.64 0.00 0.00 0.00 175.76 173.85 3ng5 s MET 30 N -2.47 0.31 -0.05 0.00 -1.94 0.82 -1.28 119.30 114.70 3ng5 s MET 30 Ca 0.58 -0.51 0.03 0.00 -1.71 0.00 0.00 55.69 54.08 3ng5 s MET 30 Cb -0.24 -0.02 0.01 0.00 2.01 0.00 0.00 34.83 36.59 3ng5 s MET 30 CO 0.30 -0.01 -0.12 -1.01 -0.01 0.00 0.00 175.02 174.17 3ng5 s HIS 31 N -1.12 1.36 -0.10 -0.03 3.76 -0.26 -2.26 115.29 116.65 3ng5 s HIS 31 Ca -0.11 -0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 54.35 3ng5 s HIS 31 Cb -0.08 -0.97 -0.03 0.00 1.11 0.00 0.00 32.58 32.61 3ng5 s HIS 31 CO -0.01 -0.20 -0.00 0.08 -0.85 0.00 0.00 174.74 173.77 3ng5 s VAL 32 N 0.38 4.28 0.22 -0.90 1.01 0.89 -0.23 120.40 126.06 3ng5 s VAL 32 Ca -0.09 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.74 3ng5 s VAL 32 Cb -0.13 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 3ng5 s VAL 32 CO 0.02 0.59 -0.19 -0.36 0.00 0.00 0.00 175.10 175.16 3ng5 s PHE 33 N -0.70 2.06 -0.03 5.22 0.40 0.29 -0.23 117.98 124.99 3ng5 s PHE 33 Ca 0.11 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 3ng5 s PHE 33 Cb -0.12 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 3ng5 s PHE 33 CO 0.02 0.52 -0.16 0.50 0.70 0.00 0.00 175.22 176.79 3ng5 s ARG 34 N -3.24 1.60 0.01 0.44 3.52 -0.39 -0.97 118.95 119.93 3ng5 s ARG 34 Ca 0.24 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 3ng5 s ARG 34 Cb -0.05 -1.44 -0.05 0.00 -1.56 0.00 0.00 34.95 31.85 3ng5 s ARG 34 CO 0.10 0.27 1.24 0.21 -0.81 0.00 0.00 175.30 176.32 3ng5 s LYS 35 N -0.07 4.37 0.78 5.12 2.20 -0.03 -1.02 119.74 131.08 3ng5 s LYS 35 Ca -0.01 1.78 -0.09 0.00 -0.36 0.00 0.00 55.97 57.29 3ng5 s LYS 35 Cb -0.10 -3.46 0.09 0.00 -1.51 0.00 0.00 37.83 32.85 3ng5 s LYS 35 CO 0.01 -0.39 1.11 0.00 -0.36 0.00 0.00 175.35 175.73 3ng5 s ALA 36 N 1.72 2.88 0.54 3.13 0.00 0.94 -4.71 121.76 126.26 3ng5 s ALA 36 Ca 0.59 -0.92 0.23 0.00 0.00 0.00 0.00 51.96 51.86 3ng5 s ALA 36 Cb -0.28 -2.71 1.40 0.00 0.00 0.00 0.00 23.12 21.53 3ng5 s ALA 36 CO 0.26 -1.60 2.06 0.00 0.00 0.00 0.00 175.76 176.48 3ng5 h ALA 37 N -0.90 2.24 -0.14 0.00 0.00 -1.95 -1.26 119.26 117.24 3ng5 h ALA 37 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ng5 h ALA 37 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ng5 h ALA 37 CO 0.58 -0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.03 3ng5 n ASP 38 N -4.32 1.17 0.00 0.00 5.75 -1.26 -4.89 116.55 112.99 3ng5 n ASP 38 Ca 0.05 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 3ng5 n ASP 38 Cb 0.41 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3ng5 n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3ng5 n ASP 39 N 0.02 -0.32 -4.94 -1.12 4.64 -0.48 -5.03 116.55 109.32 3ng5 n ASP 39 Ca 0.14 0.00 -0.25 0.00 -1.38 0.00 0.00 54.79 53.30 3ng5 n ASP 39 Cb 0.24 -0.05 -0.01 0.00 -1.04 0.00 0.00 41.12 40.25 3ng5 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 3ng5 s THR 40 N -3.49 5.10 -0.47 5.18 -4.23 -1.26 -4.78 115.64 111.68 3ng5 s THR 40 Ca 0.00 -0.37 -0.24 0.00 -1.18 0.00 0.00 61.69 59.90 3ng5 s THR 40 Cb 0.00 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 70.03 3ng5 s THR 40 CO 0.00 -0.52 0.87 0.26 -0.54 0.00 0.00 174.62 174.69 3ng5 s TRP 41 N -2.27 2.93 -0.11 3.99 0.52 -1.26 -0.04 118.94 122.69 3ng5 s TRP 41 Ca 0.41 0.21 -0.16 0.00 0.02 0.00 0.00 56.10 56.58 3ng5 s TRP 41 Cb -0.10 -3.87 -0.05 0.00 -1.15 0.00 0.00 33.47 28.31 3ng5 s TRP 41 CO 0.35 -1.10 0.41 -1.83 0.02 0.00 0.00 176.95 174.80 3ng5 s GLU 42 N 3.60 4.23 0.29 4.98 -1.05 -0.19 -4.88 118.70 125.69 3ng5 s GLU 42 Ca 0.33 0.33 -0.29 0.00 -0.15 0.00 0.00 54.97 55.19 3ng5 s GLU 42 Cb -0.11 -3.39 -0.13 0.00 -0.44 0.00 0.00 34.13 30.05 3ng5 s GLU 42 CO 0.23 0.28 1.29 -2.30 0.95 0.00 0.00 175.26 175.71 3ng5 n PRO 43 N 3.29 1.96 0.00 -4.83 -0.02 -1.26 -1.26 135.00 132.88 3ng5 n PRO 43 Ca -0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ng5 n PRO 43 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3ng5 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ng5 n PHE 44 N 0.88 0.00 -3.58 6.00 7.35 0.68 -4.78 117.46 124.02 3ng5 n PHE 44 Ca 0.08 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.70 3ng5 n PHE 44 Cb 0.34 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.15 3ng5 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ng5 s ALA 45 N -1.83 -1.81 0.29 3.13 0.00 -1.03 -4.99 121.76 115.53 3ng5 s ALA 45 Ca 0.00 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 3ng5 s ALA 45 Cb 0.00 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3ng5 s ALA 45 CO 0.00 -0.79 0.61 -1.54 0.00 0.00 0.00 175.76 174.04 3ng5 s SER 46 N -2.60 -0.01 0.00 0.00 1.04 -1.26 -0.07 113.70 110.79 3ng5 s SER 46 Ca 0.07 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3ng5 s SER 46 Cb -0.01 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3ng5 s SER 46 CO -0.06 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.45 3ng5 n GLY 47 N -0.45 -1.76 3.22 7.32 0.00 -0.96 -4.97 105.19 107.59 3ng5 n GLY 47 Ca -0.03 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 3ng5 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ng5 s LYS 48 N -1.73 0.96 0.52 1.61 1.02 -1.26 -0.12 119.74 120.74 3ng5 s LYS 48 Ca 0.00 -1.06 -0.21 0.00 0.02 0.00 0.00 55.97 54.71 3ng5 s LYS 48 Cb 0.00 -1.06 -0.06 0.00 -0.52 0.00 0.00 37.83 36.20 3ng5 s LYS 48 CO 0.00 0.24 1.23 0.95 -0.92 0.00 0.00 175.35 176.85 3ng5 s THR 49 N -1.31 2.67 0.16 2.17 -4.23 -0.38 -4.73 115.64 109.99 3ng5 s THR 49 Ca 0.02 0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.98 3ng5 s THR 49 Cb -0.10 -3.23 0.04 0.00 1.34 0.00 0.00 72.50 70.55 3ng5 s THR 49 CO 0.03 -0.03 0.22 -1.54 -0.54 0.00 0.00 174.62 172.76 3ng5 n SER 50 N -0.96 0.03 0.33 3.99 3.41 -0.51 -1.39 113.62 118.52 3ng5 n SER 50 Ca 0.10 -1.09 0.20 0.00 -0.26 0.00 0.00 58.87 57.83 3ng5 n SER 50 Cb 0.48 -0.17 1.12 0.00 -0.26 0.00 0.00 64.21 65.38 3ng5 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ng5 h GLU 51 N 0.00 0.00 -0.52 4.33 4.39 -1.93 -0.05 114.58 120.80 3ng5 h GLU 51 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3ng5 h GLU 51 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3ng5 h GLU 51 CO 0.05 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.77 3ng5 n SER 52 N -3.30 3.00 -0.82 1.42 3.41 -1.26 -4.80 113.62 111.27 3ng5 n SER 52 Ca -0.03 -1.98 -0.11 0.00 -0.26 0.00 0.00 58.87 56.50 3ng5 n SER 52 Cb 0.08 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 3ng5 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ng5 n GLY 53 N 1.40 1.19 3.54 5.00 0.00 -0.03 -4.83 105.19 111.46 3ng5 n GLY 53 Ca 0.19 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 3ng5 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ng5 s GLU 54 N -2.83 1.96 -0.11 1.61 2.02 -1.26 -0.47 118.70 119.61 3ng5 s GLU 54 Ca 0.00 -1.17 -0.01 0.00 0.02 0.00 0.00 54.97 53.81 3ng5 s GLU 54 Cb 0.00 -2.17 0.03 0.00 0.10 0.00 0.00 34.13 32.08 3ng5 s GLU 54 CO 0.00 0.47 -0.06 -1.17 0.02 0.00 0.00 175.26 174.52 3ng5 s LEU 55 N -2.40 1.16 0.32 1.80 2.96 -0.16 -1.42 118.68 120.95 3ng5 s LEU 55 Ca 0.21 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 3ng5 s LEU 55 Cb -0.10 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.73 3ng5 s LEU 55 CO 0.13 -0.14 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.94 3ng5 s HIS 56 N 1.73 2.25 -0.55 5.38 3.76 -1.26 -2.22 115.29 124.38 3ng5 s HIS 56 Ca 0.04 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 3ng5 s HIS 56 Cb -0.13 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.28 3ng5 s HIS 56 CO -0.08 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.71 3ng5 n GLY 57 N -0.72 0.16 0.16 -2.22 0.00 -1.26 -4.93 105.19 96.38 3ng5 n GLY 57 Ca -0.05 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 3ng5 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ng5 h LEU 58 N 0.00 0.27 0.00 0.99 3.38 -1.88 -3.47 115.31 114.59 3ng5 h LEU 58 Ca -0.15 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 3ng5 h LEU 58 Cb 1.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3ng5 h LEU 58 CO 0.18 0.86 0.12 1.07 0.09 0.00 0.00 178.44 180.77 3ng5 n THR 59 N -3.82 0.00 -4.48 0.22 5.66 -1.26 -4.80 114.28 105.81 3ng5 n THR 59 Ca -0.03 -1.17 -0.25 0.00 -3.05 0.00 0.00 64.05 59.56 3ng5 n THR 59 Cb 0.67 0.95 -0.10 0.00 -1.55 0.00 0.00 70.33 70.30 3ng5 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ng5 s THR 60 N -2.38 2.47 0.37 1.09 -4.23 -1.26 -4.63 115.64 107.07 3ng5 s THR 60 Ca 0.19 -2.31 0.05 0.00 -1.18 0.00 0.00 61.69 58.44 3ng5 s THR 60 Cb -0.03 -2.45 0.28 0.00 1.34 0.00 0.00 72.50 71.63 3ng5 s THR 60 CO 0.14 -0.33 2.01 -0.08 -0.54 0.00 0.00 174.62 175.81 3ng5 h GLU 61 N 2.16 0.71 0.01 3.99 4.57 -1.94 -2.21 114.58 121.86 3ng5 h GLU 61 Ca -0.41 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 57.51 3ng5 h GLU 61 Cb 1.26 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3ng5 h GLU 61 CO 0.63 0.47 -0.94 1.49 -1.18 0.00 0.00 179.01 179.48 3ng5 h GLU 62 N 0.73 0.36 0.00 1.92 4.81 -1.95 -3.30 114.58 117.15 3ng5 h GLU 62 Ca 0.24 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3ng5 h GLU 62 Cb 0.06 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3ng5 h GLU 62 CO -0.06 1.08 -0.35 1.49 -0.73 0.00 0.00 179.01 180.43 3ng5 h GLU 63 N 0.20 0.00 -3.95 1.92 4.81 -1.88 -3.40 114.58 112.28 3ng5 h GLU 63 Ca -0.07 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.41 3ng5 h GLU 63 Cb 1.58 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.80 3ng5 h GLU 63 CO 0.16 0.14 1.82 0.34 -0.73 0.00 0.00 179.01 180.74 3ng5 n PHE 64 N -3.06 3.64 -2.02 0.92 7.35 -0.87 -4.95 117.46 118.48 3ng5 n PHE 64 Ca 0.02 -2.98 -0.28 0.00 -0.76 0.00 0.00 57.45 53.45 3ng5 n PHE 64 Cb 0.60 -2.04 0.13 0.00 0.35 0.00 0.00 39.48 38.52 3ng5 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3ng5 s VAL 65 N 0.86 2.05 0.33 -2.13 -7.23 -1.26 -4.96 120.40 108.07 3ng5 s VAL 65 Ca 0.41 -0.09 -0.28 0.00 -1.81 0.00 0.00 61.98 60.20 3ng5 s VAL 65 Cb 0.06 -2.96 -0.12 0.00 0.56 0.00 0.00 36.38 33.91 3ng5 s VAL 65 CO 0.00 0.00 1.26 1.21 -0.31 0.00 0.00 175.10 177.26 3ng5 n GLU 66 N -3.43 2.04 0.00 4.82 0.00 -1.26 -4.83 120.64 117.98 3ng5 n GLU 66 Ca 0.12 0.71 0.00 0.00 0.00 0.00 0.00 57.16 58.00 3ng5 n GLU 66 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.77 3ng5 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ng5 n GLY 67 N 0.83 -0.41 3.59 8.31 0.00 -1.03 -4.99 105.19 111.48 3ng5 n GLY 67 Ca 0.05 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 3ng5 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ng5 s ILE 68 N -2.00 4.83 0.20 -0.61 1.01 -1.26 -0.35 121.20 123.02 3ng5 s ILE 68 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.75 3ng5 s ILE 68 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3ng5 s ILE 68 CO 0.00 0.39 -0.24 -0.31 0.00 0.00 0.00 174.94 174.79 3ng5 s TYR 69 N 0.91 2.29 -0.06 3.97 1.51 0.45 -0.86 117.35 125.57 3ng5 s TYR 69 Ca 0.05 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3ng5 s TYR 69 Cb -0.14 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.61 3ng5 s TYR 69 CO 0.03 0.51 -0.05 0.21 -1.11 0.00 0.00 175.55 175.15 3ng5 s LYS 70 N -2.73 0.94 -0.24 -0.62 2.20 -0.14 -1.25 119.74 117.89 3ng5 s LYS 70 Ca 0.21 -0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.65 3ng5 s LYS 70 Cb -0.08 -1.00 -0.03 0.00 -1.51 0.00 0.00 37.83 35.22 3ng5 s LYS 70 CO 0.10 -0.14 0.06 0.08 -0.36 0.00 0.00 175.35 175.10 3ng5 s VAL 71 N 1.19 4.33 -0.24 4.02 1.01 0.40 -0.55 120.40 130.55 3ng5 s VAL 71 Ca -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3ng5 s VAL 71 Cb -0.14 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.25 3ng5 s VAL 71 CO -0.02 0.36 -0.05 -0.70 0.00 0.00 0.00 175.10 174.69 3ng5 s GLU 72 N 1.44 2.97 -0.29 2.72 2.12 0.68 -0.57 118.70 127.77 3ng5 s GLU 72 Ca 0.05 -0.89 -0.11 0.00 0.36 0.00 0.00 54.97 54.39 3ng5 s GLU 72 Cb -0.15 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 3ng5 s GLU 72 CO 0.03 -0.35 0.19 0.42 -0.54 0.00 0.00 175.26 175.01 3ng5 s ILE 73 N 1.37 5.21 -1.35 -3.70 1.01 0.14 -1.10 121.20 122.78 3ng5 s ILE 73 Ca 0.02 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 3ng5 s ILE 73 Cb -0.16 -3.51 0.05 0.00 0.01 0.00 0.00 42.46 38.85 3ng5 s ILE 73 CO -0.04 0.22 1.94 -0.67 0.00 0.00 0.00 174.94 176.38 3ng5 n ASP 74 N 5.05 4.42 0.14 3.58 4.64 -0.40 -1.43 116.55 132.56 3ng5 n ASP 74 Ca -0.14 -2.88 0.00 0.00 -1.38 0.00 0.00 54.79 50.39 3ng5 n ASP 74 Cb 0.52 -1.70 0.27 0.00 -1.04 0.00 0.00 41.12 39.16 3ng5 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 3ng5 h THR 75 N 4.97 1.32 -0.17 5.18 1.35 -1.86 -2.81 112.91 120.89 3ng5 h THR 75 Ca 0.49 -1.56 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 3ng5 h THR 75 Cb 0.78 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3ng5 h THR 75 CO 1.63 0.45 0.02 0.50 -0.25 0.00 0.00 175.52 177.87 3ng5 h LYS 76 N 0.06 0.28 -0.90 4.72 3.64 -1.71 -1.54 116.57 121.13 3ng5 h LYS 76 Ca 0.00 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3ng5 h LYS 76 Cb 0.82 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 3ng5 h LYS 76 CO 0.06 0.47 0.59 0.77 -2.27 0.00 0.00 179.45 179.07 3ng5 h SER 77 N 0.06 1.00 -0.09 4.20 0.02 -1.83 -0.27 113.55 116.64 3ng5 h SER 77 Ca 0.05 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3ng5 h SER 77 Cb 0.32 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3ng5 h SER 77 CO 0.00 0.70 -0.05 0.22 -1.14 0.00 0.00 176.83 176.56 3ng5 h TYR 78 N 1.17 -0.13 -0.24 3.45 3.20 -1.21 -1.51 116.97 121.71 3ng5 h TYR 78 Ca 0.34 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 62.05 3ng5 h TYR 78 Cb -0.06 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3ng5 h TYR 78 CO -0.00 -0.09 -0.53 -1.49 -1.64 0.00 0.00 178.16 174.41 3ng5 h TRP 79 N -0.05 1.00 -0.98 -3.82 4.06 -0.97 -3.12 115.95 112.07 3ng5 h TRP 79 Ca 0.06 -0.37 0.05 0.00 2.06 0.00 0.00 58.89 60.68 3ng5 h TRP 79 Cb 0.13 -0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 28.05 3ng5 h TRP 79 CO -0.17 1.18 0.63 0.87 -3.56 0.00 0.00 178.44 177.40 3ng5 h LYS 80 N 0.53 1.17 -0.00 0.49 1.79 -0.76 -0.30 116.57 119.49 3ng5 h LYS 80 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3ng5 h LYS 80 Cb 1.15 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3ng5 h LYS 80 CO 0.12 0.77 0.00 0.00 -1.08 0.00 0.00 179.45 179.26 3ng5 h ALA 81 N 1.42 1.30 -0.28 3.86 0.00 -1.21 0.21 119.26 124.55 3ng5 h ALA 81 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3ng5 h ALA 81 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ng5 h ALA 81 CO -0.14 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.38 3ng5 n LEU 82 N -3.51 3.06 0.00 0.00 4.77 -0.26 -4.93 117.00 116.12 3ng5 n LEU 82 Ca -0.03 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 3ng5 n LEU 82 Cb 0.08 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3ng5 n LEU 82 CO 0.24 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3ng5 n GLY 83 N 1.42 0.72 3.74 -0.72 0.00 0.06 -5.05 105.19 105.36 3ng5 n GLY 83 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3ng5 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ng5 s ILE 84 N -2.46 4.78 -0.47 -0.61 1.01 -0.38 -4.96 121.20 118.11 3ng5 s ILE 84 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 3ng5 s ILE 84 Cb 0.00 -3.06 0.10 0.00 0.01 0.00 0.00 42.46 39.51 3ng5 s ILE 84 CO 0.00 0.58 0.37 -0.44 0.00 0.00 0.00 174.94 175.45 3ng5 s SER 85 N -0.70 5.91 0.72 3.58 0.01 -1.26 -2.53 113.70 119.43 3ng5 s SER 85 Ca 0.12 -1.62 0.01 0.00 1.31 0.00 0.00 55.95 55.77 3ng5 s SER 85 Cb -0.12 -2.10 0.14 0.00 0.21 0.00 0.00 66.02 64.15 3ng5 s SER 85 CO 0.02 -0.68 0.99 -2.16 0.41 0.00 0.00 173.24 171.83 3ng5 s PRO 86 N 1.51 1.64 -0.11 12.44 0.04 -1.26 -5.01 135.00 144.24 3ng5 s PRO 86 Ca 0.04 -1.31 -0.27 0.00 0.04 0.00 0.00 61.00 59.49 3ng5 s PRO 86 Cb -0.26 -2.38 -0.26 0.00 0.04 0.00 0.00 34.50 31.64 3ng5 s PRO 86 CO 0.03 -1.46 0.83 0.35 0.04 0.00 0.00 177.00 176.79 3ng5 h PHE 87 N -0.48 0.10 -3.55 0.56 3.57 -1.51 -3.48 116.94 112.16 3ng5 h PHE 87 Ca -0.33 -0.07 -0.51 0.00 3.53 0.00 0.00 57.97 60.58 3ng5 h PHE 87 Cb 1.27 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 3ng5 h PHE 87 CO -0.17 1.02 -0.01 -1.01 -2.23 0.00 0.00 178.31 175.91 3ng5 s HIS 88 N -2.41 3.42 0.11 0.41 3.76 -1.26 -4.99 115.29 114.34 3ng5 s HIS 88 Ca -0.18 0.99 -0.11 0.00 -0.15 0.00 0.00 55.06 55.60 3ng5 s HIS 88 Cb -0.02 -2.36 -0.12 0.00 1.11 0.00 0.00 32.58 31.19 3ng5 s HIS 88 CO 0.72 0.14 1.34 0.93 -0.85 0.00 0.00 174.74 177.01 3ng5 h GLU 89 N 2.13 0.79 -2.51 1.40 4.39 -1.97 -3.37 114.58 115.44 3ng5 h GLU 89 Ca -0.47 -0.61 0.15 0.00 0.34 0.00 0.00 59.36 58.77 3ng5 h GLU 89 Cb 1.18 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.90 3ng5 h GLU 89 CO 0.67 1.22 0.53 -3.38 -1.16 0.00 0.00 179.01 176.89 3ng5 s HIS 90 N -3.84 0.02 -0.11 4.33 -3.43 -1.26 -3.12 115.29 107.88 3ng5 s HIS 90 Ca -0.10 -0.41 0.01 0.00 -0.80 0.00 0.00 55.06 53.75 3ng5 s HIS 90 Cb 0.09 0.70 -0.02 0.00 -1.43 0.00 0.00 32.58 31.92 3ng5 s HIS 90 CO 0.90 -0.95 -0.12 0.00 -2.00 0.00 0.00 174.74 172.56 3ng5 s ALA 91 N -2.52 2.68 -0.08 -1.38 0.00 -0.51 -4.88 121.76 115.07 3ng5 s ALA 91 Ca 0.18 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3ng5 s ALA 91 Cb -0.02 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.93 3ng5 s ALA 91 CO 0.05 0.35 -0.18 -1.21 0.00 0.00 0.00 175.76 174.77 3ng5 s GLU 92 N -0.01 2.39 -0.22 0.00 2.02 -1.26 0.23 118.70 121.85 3ng5 s GLU 92 Ca -0.03 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3ng5 s GLU 92 Cb -0.14 -1.86 0.03 0.00 0.10 0.00 0.00 34.13 32.26 3ng5 s GLU 92 CO 0.04 0.11 -0.13 0.08 0.02 0.00 0.00 175.26 175.37 3ng5 s VAL 93 N 0.50 2.39 -0.14 2.63 1.01 0.26 -4.96 120.40 122.09 3ng5 s VAL 93 Ca -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.71 3ng5 s VAL 93 Cb -0.17 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3ng5 s VAL 93 CO 0.06 0.30 -0.15 -0.69 0.00 0.00 0.00 175.10 174.62 3ng5 s VAL 94 N 1.27 2.75 0.10 2.92 1.01 -1.26 -0.45 120.40 126.73 3ng5 s VAL 94 Ca 0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 3ng5 s VAL 94 Cb -0.16 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.12 3ng5 s VAL 94 CO -0.08 0.52 0.47 0.72 0.00 0.00 0.00 175.10 176.73 3ng5 s PHE 95 N 0.61 -0.34 0.04 5.22 -0.71 -0.38 -4.98 117.98 117.45 3ng5 s PHE 95 Ca -0.09 0.19 -0.21 0.00 -1.04 0.00 0.00 56.93 55.79 3ng5 s PHE 95 Cb -0.16 0.33 -0.06 0.00 -1.21 0.00 0.00 43.02 41.92 3ng5 s PHE 95 CO 0.03 -0.69 0.60 0.99 -1.34 0.00 0.00 175.22 174.81 3ng5 s THR 96 N -3.21 4.79 0.01 -4.49 2.01 -1.26 -0.41 115.64 113.08 3ng5 s THR 96 Ca -0.01 1.28 0.08 0.00 0.31 0.00 0.00 61.69 63.35 3ng5 s THR 96 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 3ng5 s THR 96 CO -0.08 0.48 -0.23 0.00 -0.69 0.00 0.00 174.62 174.10 3ng5 s ALA 97 N -0.66 2.34 -1.59 7.40 0.00 0.53 -4.79 121.76 124.99 3ng5 s ALA 97 Ca 0.31 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3ng5 s ALA 97 Cb -0.19 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.31 3ng5 s ALA 97 CO 0.19 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.58 3ng5 n ASN 98 N 2.04 -4.81 0.19 0.00 5.03 -1.26 -2.47 115.26 113.97 3ng5 n ASN 98 Ca -0.16 0.34 0.06 0.00 0.87 0.00 0.00 54.58 55.69 3ng5 n ASN 98 Cb 0.52 -3.68 0.31 0.00 -1.02 0.00 0.00 39.78 35.90 3ng5 n ASN 98 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 3ng5 h ASP 99 N 0.00 0.00 -0.58 6.41 -0.00 -1.92 -2.79 116.42 117.54 3ng5 h ASP 99 Ca -0.32 0.00 -0.24 0.00 -0.00 0.00 0.00 57.03 56.47 3ng5 h ASP 99 Cb 1.02 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 40.20 3ng5 h ASP 99 CO 0.45 0.36 0.19 -1.20 -0.00 0.00 0.00 179.24 179.04 3ng5 n SER 100 N -3.44 3.53 0.00 4.15 7.64 -1.26 -5.05 113.62 119.20 3ng5 n SER 100 Ca 0.00 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.39 3ng5 n SER 100 Cb 0.53 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3ng5 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ng5 n GLY 101 N -0.82 1.58 3.75 0.23 0.00 -1.05 -5.02 105.19 103.86 3ng5 n GLY 101 Ca 0.40 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 3ng5 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ng5 s PRO 102 N -2.00 4.32 0.18 1.61 0.04 -1.26 -4.25 135.00 133.63 3ng5 s PRO 102 Ca 0.00 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.29 3ng5 s PRO 102 Cb 0.00 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 3ng5 s PRO 102 CO 0.00 -0.31 0.01 1.03 0.04 0.00 0.00 177.00 177.77 3ng5 s ARG 103 N -0.91 1.12 -0.17 4.56 1.81 -1.26 -4.46 118.95 119.63 3ng5 s ARG 103 Ca 0.55 -1.54 -0.08 0.00 -1.72 0.00 0.00 55.73 52.94 3ng5 s ARG 103 Cb -0.40 -0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 33.80 3ng5 s ARG 103 CO 0.47 -0.14 0.10 1.03 -0.68 0.00 0.00 175.30 176.07 3ng5 s ARG 104 N -3.92 3.85 -0.13 3.54 1.81 -0.12 -4.88 118.95 119.10 3ng5 s ARG 104 Ca 0.25 -0.26 0.02 0.00 -1.72 0.00 0.00 55.73 54.02 3ng5 s ARG 104 Cb 0.06 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.32 3ng5 s ARG 104 CO 0.04 0.43 -0.20 0.71 -0.68 0.00 0.00 175.30 175.60 3ng5 s TYR 105 N -0.05 2.68 -0.18 -0.53 2.02 0.49 -1.49 117.35 120.28 3ng5 s TYR 105 Ca 0.08 -1.18 -0.01 0.00 -0.37 0.00 0.00 57.07 55.60 3ng5 s TYR 105 Cb -0.12 -1.81 -0.00 0.00 -0.40 0.00 0.00 41.96 39.63 3ng5 s TYR 105 CO 0.00 -0.52 -0.12 0.99 -1.57 0.00 0.00 175.55 174.33 3ng5 s THR 106 N 0.69 2.82 -0.29 -0.71 2.01 -0.19 -1.34 115.64 118.62 3ng5 s THR 106 Ca -0.10 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.11 3ng5 s THR 106 Cb -0.16 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 3ng5 s THR 106 CO 0.01 0.49 0.16 -0.63 -0.69 0.00 0.00 174.62 173.96 3ng5 s ILE 107 N 1.10 4.86 -0.13 1.82 -1.09 0.26 -1.26 121.20 126.76 3ng5 s ILE 107 Ca 0.00 -0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 3ng5 s ILE 107 Cb -0.14 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3ng5 s ILE 107 CO -0.03 0.19 -0.01 0.00 -1.23 0.00 0.00 174.94 173.86 3ng5 s ALA 108 N 1.68 3.16 -0.04 9.38 0.00 -0.06 -0.95 121.76 134.94 3ng5 s ALA 108 Ca 0.06 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.27 3ng5 s ALA 108 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 3ng5 s ALA 108 CO 0.08 0.34 -0.18 0.00 0.00 0.00 0.00 175.76 176.00 3ng5 s ALA 109 N -0.08 1.58 -0.17 0.00 0.00 -0.23 -0.90 121.76 121.96 3ng5 s ALA 109 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3ng5 s ALA 109 Cb -0.13 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3ng5 s ALA 109 CO 0.02 0.32 -0.17 -1.17 0.00 0.00 0.00 175.76 174.76 3ng5 s LEU 110 N -0.11 2.34 -0.12 0.00 2.96 -0.26 -1.23 118.68 122.25 3ng5 s LEU 110 Ca -0.01 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3ng5 s LEU 110 Cb -0.10 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3ng5 s LEU 110 CO 0.01 0.04 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.24 3ng5 s LEU 111 N 1.05 3.00 0.21 -0.68 1.43 -0.25 -1.64 118.68 121.81 3ng5 s LEU 111 Ca -0.01 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3ng5 s LEU 111 Cb -0.14 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3ng5 s LEU 111 CO -0.05 0.21 -0.05 -0.44 0.23 0.00 0.00 176.35 176.25 3ng5 s SER 112 N 0.10 2.00 0.43 2.29 0.01 0.41 -1.16 113.70 117.77 3ng5 s SER 112 Ca -0.03 -1.15 0.10 0.00 1.31 0.00 0.00 55.95 56.17 3ng5 s SER 112 Cb -0.14 -0.03 0.92 0.00 0.21 0.00 0.00 66.02 66.98 3ng5 s SER 112 CO 0.04 -0.42 2.04 -0.65 0.41 0.00 0.00 173.24 174.65 3ng5 h PRO 113 N 2.53 0.34 -0.13 12.44 0.11 -1.99 -2.99 132.00 142.31 3ng5 h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ng5 h PRO 113 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ng5 h PRO 113 CO 0.64 0.29 0.00 0.66 -0.21 0.00 0.00 178.00 179.38 3ng5 n TYR 114 N -4.43 0.43 -3.60 0.65 4.02 -1.26 -1.20 117.16 111.77 3ng5 n TYR 114 Ca 0.01 -0.88 -0.13 0.00 -0.01 0.00 0.00 57.90 56.89 3ng5 n TYR 114 Cb 0.13 -0.20 -0.06 0.00 -0.02 0.00 0.00 39.34 39.18 3ng5 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3ng5 s SER 115 N -2.21 -0.58 0.09 7.72 0.15 -1.13 -4.97 113.70 112.78 3ng5 s SER 115 Ca 0.33 0.96 -0.11 0.00 0.70 0.00 0.00 55.95 57.83 3ng5 s SER 115 Cb 0.27 0.91 0.01 0.00 -1.71 0.00 0.00 66.02 65.50 3ng5 s SER 115 CO 0.06 -0.31 0.24 -0.72 1.20 0.00 0.00 173.24 173.71 3ng5 s TYR 116 N -0.25 0.05 0.08 3.44 -0.85 -1.26 -0.44 117.35 118.12 3ng5 s TYR 116 Ca -0.02 -0.43 0.05 0.00 -0.52 0.00 0.00 57.07 56.15 3ng5 s TYR 116 Cb -0.03 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.30 3ng5 s TYR 116 CO 0.01 -0.57 -0.13 -1.54 -1.52 0.00 0.00 175.55 171.80 3ng5 s SER 117 N -2.75 1.60 -0.00 -0.18 1.04 -0.65 -4.98 113.70 107.78 3ng5 s SER 117 Ca 0.03 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.79 3ng5 s SER 117 Cb 0.04 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3ng5 s SER 117 CO -0.10 -0.14 -0.02 0.28 0.98 0.00 0.00 173.24 174.24 3ng5 s THR 118 N -1.65 0.17 0.03 2.02 -1.32 -1.26 -1.11 115.64 112.52 3ng5 s THR 118 Ca 0.00 -0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 3ng5 s THR 118 Cb -0.08 -0.16 -0.02 0.00 -1.51 0.00 0.00 72.50 70.73 3ng5 s THR 118 CO 0.02 0.05 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.50 3ng5 s THR 119 N 0.02 0.71 -0.05 5.08 2.01 -0.08 -4.99 115.64 118.34 3ng5 s THR 119 Ca 0.00 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.17 3ng5 s THR 119 Cb -0.02 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 3ng5 s THR 119 CO -0.00 -0.14 -0.16 0.00 -0.69 0.00 0.00 174.62 173.63 3ng5 s ALA 120 N -0.92 2.58 -0.22 7.40 0.00 -1.26 -0.88 121.76 128.46 3ng5 s ALA 120 Ca -0.03 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 3ng5 s ALA 120 Cb -0.07 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.12 3ng5 s ALA 120 CO 0.01 0.52 -0.09 0.08 0.00 0.00 0.00 175.76 176.28 3ng5 s VAL 121 N -0.59 2.89 -0.14 0.00 1.01 -0.39 -4.98 120.40 118.21 3ng5 s VAL 121 Ca 0.08 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3ng5 s VAL 121 Cb -0.11 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3ng5 s VAL 121 CO 0.01 0.38 -0.20 -0.69 0.00 0.00 0.00 175.10 174.60 3ng5 s VAL 122 N 1.38 1.91 0.13 2.92 1.01 -1.26 -1.02 120.40 125.47 3ng5 s VAL 122 Ca 0.04 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3ng5 s VAL 122 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3ng5 s VAL 122 CO -0.06 0.52 -0.17 0.42 0.00 0.00 0.00 175.10 175.81 3ng5 s THR 123 N 0.91 1.60 -0.32 3.92 -4.23 -0.55 -4.97 115.64 112.00 3ng5 s THR 123 Ca -0.06 -1.73 -0.18 0.00 -1.18 0.00 0.00 61.69 58.55 3ng5 s THR 123 Cb -0.15 -1.63 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 3ng5 s THR 123 CO -0.03 -0.28 0.50 0.21 -0.54 0.00 0.00 174.62 174.47 3ng5 s ASN 124 N -2.37 6.34 0.00 3.99 3.84 -1.26 -0.94 114.94 124.53 3ng5 s ASN 124 Ca 0.10 0.14 0.00 0.00 0.21 0.00 0.00 52.86 53.31 3ng5 s ASN 124 Cb -0.07 -2.26 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 3ng5 s ASN 124 CO 0.05 -0.40 0.01 -2.65 -2.79 0.00 0.00 177.10 171.31