#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 4.71 0.40 -3.66 0.00 -0.04 -1.26 -4.74 135.00 130.40 3ng5 n PRO 11 Ca -0.10 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.12 3ng5 n PRO 11 Cb 0.51 -1.64 -0.17 0.00 -0.04 0.00 0.00 33.50 32.16 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 -4.31 0.48 0.04 1.53 2.96 -1.26 -0.06 118.68 118.06 3ng5 s LEU 12 Ca 0.02 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3ng5 s LEU 12 Cb 0.13 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.50 3ng5 s LEU 12 CO 0.81 -0.31 -0.17 -0.04 -1.32 0.00 0.00 176.35 175.32 3ng5 s MET 13 N 2.08 1.12 -0.08 1.98 -1.94 -0.22 -4.46 119.30 117.79 3ng5 s MET 13 Ca 0.02 -0.82 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 3ng5 s MET 13 Cb -0.15 -1.17 0.00 0.00 2.01 0.00 0.00 34.83 35.52 3ng5 s MET 13 CO -0.07 0.30 -0.18 0.08 -0.01 0.00 0.00 175.02 175.13 3ng5 s VAL 14 N -0.80 1.58 -0.13 -6.03 1.01 -0.80 -0.78 120.40 114.45 3ng5 s VAL 14 Ca 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3ng5 s VAL 14 Cb -0.08 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3ng5 s VAL 14 CO 0.01 0.45 -0.20 -0.75 0.00 0.00 0.00 175.10 174.62 3ng5 s LYS 15 N 0.41 2.78 -0.09 2.72 2.47 0.33 -0.30 119.74 128.05 3ng5 s LYS 15 Ca -0.14 -0.76 0.04 0.00 -1.56 0.00 0.00 55.97 53.54 3ng5 s LYS 15 Cb -0.16 -2.28 -0.01 0.00 -1.46 0.00 0.00 37.83 33.93 3ng5 s LYS 15 CO 0.06 -0.04 -0.22 0.08 0.16 0.00 0.00 175.35 175.39 3ng5 s VAL 16 N 0.89 2.26 0.11 4.02 1.01 0.16 -0.52 120.40 128.33 3ng5 s VAL 16 Ca -0.06 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.05 3ng5 s VAL 16 Cb -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3ng5 s VAL 16 CO -0.02 0.56 -0.23 -0.76 0.00 0.00 0.00 175.10 174.64 3ng5 s LEU 17 N 0.19 2.44 -0.29 3.92 1.43 0.33 -1.20 118.68 125.50 3ng5 s LEU 17 Ca -0.13 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 52.24 3ng5 s LEU 17 Cb -0.16 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 3ng5 s LEU 17 CO 0.07 0.20 0.12 -0.62 0.23 0.00 0.00 176.35 176.35 3ng5 s ASP 18 N -1.91 5.38 0.01 2.29 -1.08 -0.09 -0.67 116.67 120.60 3ng5 s ASP 18 Ca 0.15 -0.46 0.27 0.00 -0.52 0.00 0.00 52.55 51.99 3ng5 s ASP 18 Cb -0.10 -1.96 0.91 0.00 -1.46 0.00 0.00 42.92 40.31 3ng5 s ASP 18 CO 0.07 -0.15 1.71 0.00 0.52 0.00 0.00 175.17 177.31 3ng5 n ALA 19 N 4.95 2.82 0.01 3.66 0.00 0.07 -0.90 120.51 131.11 3ng5 n ALA 19 Ca -0.15 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 3ng5 n ALA 19 Cb 0.50 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 3ng5 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ng5 h VAL 20 N 0.00 1.03 0.00 0.00 2.07 -1.94 -3.38 116.25 114.03 3ng5 h VAL 20 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 3ng5 h VAL 20 Cb 0.52 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3ng5 h VAL 20 CO 0.00 0.71 -1.48 0.54 0.02 0.00 0.00 177.57 177.36 3ng5 n ARG 21 N -3.92 0.44 -2.88 1.57 1.74 -1.23 -5.01 116.66 107.36 3ng5 n ARG 21 Ca -0.25 -0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 56.63 3ng5 n ARG 21 Cb 0.90 -1.56 0.06 0.00 -1.02 0.00 0.00 32.46 30.84 3ng5 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ng5 n GLY 22 N 1.33 -0.43 3.50 -0.13 0.00 -0.08 -5.05 105.19 104.33 3ng5 n GLY 22 Ca -0.01 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.56 -0.21 0.71 1.61 1.04 -1.11 -5.00 113.70 107.19 3ng5 s SER 23 Ca 0.21 -0.54 -0.16 0.00 0.48 0.00 0.00 55.95 55.93 3ng5 s SER 23 Cb -0.03 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3ng5 s SER 23 CO 0.54 -1.03 1.24 -2.84 0.98 0.00 0.00 173.24 172.12 3ng5 s PRO 24 N -3.89 2.19 -0.45 4.02 0.02 -1.26 -0.91 135.00 134.72 3ng5 s PRO 24 Ca 0.10 1.87 -0.20 0.00 0.02 0.00 0.00 61.00 62.80 3ng5 s PRO 24 Cb -0.00 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.72 3ng5 s PRO 24 CO -0.02 -1.82 0.61 0.00 -0.33 0.00 0.00 177.00 175.44 3ng5 s ALA 25 N -1.80 3.36 0.10 -1.55 0.00 -0.34 -4.59 121.76 116.95 3ng5 s ALA 25 Ca 0.77 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 3ng5 s ALA 25 Cb -0.32 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 3ng5 s ALA 25 CO 0.44 -1.81 0.45 0.42 0.00 0.00 0.00 175.76 175.27 3ng5 s ILE 26 N 2.69 5.01 -1.19 0.00 1.01 -1.26 -4.30 121.20 123.15 3ng5 s ILE 26 Ca 0.20 0.60 -0.02 0.00 0.00 0.00 0.00 60.65 61.42 3ng5 s ILE 26 Cb -0.15 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3ng5 s ILE 26 CO 0.17 0.29 0.33 0.59 0.00 0.00 0.00 174.94 176.31 3ng5 n ASN 27 N 0.91 -4.84 -4.67 3.58 4.13 -0.62 -4.93 115.26 108.83 3ng5 n ASN 27 Ca -0.07 -0.16 -0.40 0.00 1.68 0.00 0.00 54.58 55.63 3ng5 n ASN 27 Cb 0.52 -3.77 -0.06 0.00 -1.54 0.00 0.00 39.78 34.93 3ng5 n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ng5 s VAL 28 N -2.94 5.05 0.29 2.41 1.01 -1.26 -4.73 120.40 120.24 3ng5 s VAL 28 Ca 0.16 1.14 -0.28 0.00 0.00 0.00 0.00 61.98 63.01 3ng5 s VAL 28 Cb -0.07 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 3ng5 s VAL 28 CO 0.20 0.14 0.96 0.00 0.00 0.00 0.00 175.10 176.40 3ng5 s ALA 29 N 1.72 3.26 0.03 5.51 0.00 -1.26 -1.24 121.76 129.78 3ng5 s ALA 29 Ca 0.28 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 3ng5 s ALA 29 Cb -0.16 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 3ng5 s ALA 29 CO 0.11 0.14 0.13 0.00 0.00 0.00 0.00 175.76 176.14 3ng5 s MET 30 N -1.73 0.58 -0.03 0.00 0.23 -0.03 -0.93 119.30 117.40 3ng5 s MET 30 Ca 0.47 -0.63 0.04 0.00 -1.03 0.00 0.00 55.69 54.53 3ng5 s MET 30 Cb -0.22 0.24 -0.00 0.00 -1.53 0.00 0.00 34.83 33.31 3ng5 s MET 30 CO 0.28 -0.15 -0.14 -1.01 -2.03 0.00 0.00 175.02 171.98 3ng5 s HIS 31 N -2.27 1.33 -0.08 3.16 3.76 0.14 -2.01 115.29 119.31 3ng5 s HIS 31 Ca -0.08 -0.34 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 3ng5 s HIS 31 Cb -0.03 -0.90 -0.02 0.00 1.11 0.00 0.00 32.58 32.74 3ng5 s HIS 31 CO -0.03 -0.11 -0.17 0.08 -0.85 0.00 0.00 174.74 173.67 3ng5 s VAL 32 N 0.00 2.78 0.17 -0.90 1.01 0.16 -0.29 120.40 123.33 3ng5 s VAL 32 Ca -0.01 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3ng5 s VAL 32 Cb -0.09 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3ng5 s VAL 32 CO 0.01 0.56 -0.12 -0.36 0.00 0.00 0.00 175.10 175.18 3ng5 s PHE 33 N -0.14 1.48 0.01 5.22 0.40 0.67 -0.70 117.98 124.93 3ng5 s PHE 33 Ca -0.02 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 55.72 3ng5 s PHE 33 Cb -0.14 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 3ng5 s PHE 33 CO 0.04 0.21 -0.19 0.50 0.70 0.00 0.00 175.22 176.48 3ng5 s ARG 34 N -3.59 1.43 -0.02 0.44 3.52 0.05 -1.18 118.95 119.60 3ng5 s ARG 34 Ca 0.18 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 3ng5 s ARG 34 Cb 0.00 -1.45 -0.05 0.00 -1.56 0.00 0.00 34.95 31.89 3ng5 s ARG 34 CO 0.04 0.38 1.38 0.21 -0.81 0.00 0.00 175.30 176.50 3ng5 s LYS 35 N -0.81 4.28 0.72 5.12 2.20 0.05 -0.64 119.74 130.66 3ng5 s LYS 35 Ca 0.07 1.93 -0.07 0.00 -0.36 0.00 0.00 55.97 57.54 3ng5 s LYS 35 Cb -0.08 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.71 3ng5 s LYS 35 CO 0.00 -0.58 1.04 0.00 -0.36 0.00 0.00 175.35 175.45 3ng5 s ALA 36 N 2.50 3.11 0.43 3.13 0.00 0.22 -4.76 121.76 126.38 3ng5 s ALA 36 Ca 0.63 -0.95 0.14 0.00 0.00 0.00 0.00 51.96 51.77 3ng5 s ALA 36 Cb -0.30 -2.61 1.01 0.00 0.00 0.00 0.00 23.12 21.22 3ng5 s ALA 36 CO 0.25 -1.38 1.96 0.00 0.00 0.00 0.00 175.76 176.60 3ng5 h ALA 37 N -0.67 2.02 -0.55 0.00 0.00 -1.95 -0.23 119.26 117.88 3ng5 h ALA 37 Ca -0.44 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 3ng5 h ALA 37 Cb 1.31 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 3ng5 h ALA 37 CO 0.59 -0.17 0.42 -0.40 0.00 0.00 0.00 179.25 179.68 3ng5 n ASP 38 N -4.47 4.87 -0.78 0.00 5.75 -1.26 -4.87 116.55 115.80 3ng5 n ASP 38 Ca 0.11 -3.01 -0.05 0.00 -0.01 0.00 0.00 54.79 51.83 3ng5 n ASP 38 Cb 0.40 -0.85 -0.02 0.00 -1.03 0.00 0.00 41.12 39.62 3ng5 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ng5 n ASP 39 N -0.14 -2.02 -4.97 -1.12 9.92 -0.10 -4.91 116.55 113.21 3ng5 n ASP 39 Ca 0.34 0.12 -0.21 0.00 -0.53 0.00 0.00 54.79 54.50 3ng5 n ASP 39 Cb 0.89 -1.87 -0.00 0.00 -0.64 0.00 0.00 41.12 39.50 3ng5 n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ng5 s THR 40 N -1.17 4.28 -0.15 -3.53 -4.23 -1.26 -4.83 115.64 104.75 3ng5 s THR 40 Ca 0.00 -0.75 -0.22 0.00 -1.18 0.00 0.00 61.69 59.55 3ng5 s THR 40 Cb 0.00 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 3ng5 s THR 40 CO 0.00 -0.29 0.66 0.26 -0.54 0.00 0.00 174.62 174.71 3ng5 s TRP 41 N -2.32 3.44 -0.20 3.99 0.52 -1.26 -0.61 118.94 122.51 3ng5 s TRP 41 Ca 0.45 1.05 -0.07 0.00 0.02 0.00 0.00 56.10 57.54 3ng5 s TRP 41 Cb -0.10 -2.80 -0.04 0.00 -1.15 0.00 0.00 33.47 29.38 3ng5 s TRP 41 CO 0.34 -0.08 0.06 -1.21 0.02 0.00 0.00 176.95 176.07 3ng5 s GLU 42 N 1.54 3.88 0.31 4.98 0.41 0.19 -4.93 118.70 125.08 3ng5 s GLU 42 Ca 0.32 -0.39 -0.29 0.00 -0.41 0.00 0.00 54.97 54.20 3ng5 s GLU 42 Cb -0.16 -3.22 -0.13 0.00 -1.78 0.00 0.00 34.13 28.85 3ng5 s GLU 42 CO 0.12 0.17 1.34 -2.30 -0.49 0.00 0.00 175.26 174.10 3ng5 n PRO 43 N 3.85 2.14 0.06 0.39 -0.02 -1.26 -0.77 135.00 139.38 3ng5 n PRO 43 Ca -0.16 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ng5 n PRO 43 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.83 -0.61 -3.86 6.00 7.35 0.13 -4.80 117.46 122.50 3ng5 n PHE 44 Ca 0.07 0.11 -0.09 0.00 -0.76 0.00 0.00 57.45 56.77 3ng5 n PHE 44 Cb 0.35 0.19 -0.04 0.00 0.35 0.00 0.00 39.48 40.33 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 -2.00 -0.69 0.23 3.13 0.00 -0.63 -5.00 121.76 116.81 3ng5 s ALA 45 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 3ng5 s ALA 45 Cb 0.00 0.93 0.01 0.00 0.00 0.00 0.00 23.12 24.06 3ng5 s ALA 45 CO 0.00 -0.85 0.54 -1.54 0.00 0.00 0.00 175.76 173.91 3ng5 s SER 46 N -2.94 -0.19 0.00 0.00 1.04 -1.26 0.37 113.70 110.72 3ng5 s SER 46 Ca 0.14 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3ng5 s SER 46 Cb -0.02 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3ng5 s SER 46 CO 0.03 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3ng5 n GLY 47 N -0.38 -1.72 3.16 7.32 0.00 -0.85 -4.98 105.19 107.74 3ng5 n GLY 47 Ca -0.05 -1.10 -0.20 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 -1.58 0.92 0.47 1.61 1.02 -1.26 -0.85 119.74 120.06 3ng5 s LYS 48 Ca 0.00 -0.85 -0.23 0.00 0.02 0.00 0.00 55.97 54.91 3ng5 s LYS 48 Cb 0.00 -0.94 -0.07 0.00 -0.52 0.00 0.00 37.83 36.30 3ng5 s LYS 48 CO 0.00 0.22 1.21 0.95 -0.92 0.00 0.00 175.35 176.81 3ng5 s THR 49 N -1.01 2.90 0.86 2.17 -4.23 -0.37 -4.78 115.64 111.17 3ng5 s THR 49 Ca 0.01 0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 61.06 3ng5 s THR 49 Cb -0.09 -3.35 0.21 0.00 1.34 0.00 0.00 72.50 70.61 3ng5 s THR 49 CO 0.02 -0.00 0.90 -1.54 -0.54 0.00 0.00 174.62 173.45 3ng5 n SER 50 N -0.54 -1.10 0.23 3.99 3.41 0.87 -1.58 113.62 118.90 3ng5 n SER 50 Ca 0.08 -1.14 0.16 0.00 -0.26 0.00 0.00 58.87 57.70 3ng5 n SER 50 Cb 0.47 -0.76 0.78 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.53 4.33 4.39 -1.94 0.12 114.58 120.95 3ng5 h GLU 51 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3ng5 h GLU 51 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3ng5 h GLU 51 CO 0.21 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.93 3ng5 n SER 52 N -2.61 3.15 -0.49 1.42 3.41 -1.26 -4.81 113.62 112.43 3ng5 n SER 52 Ca -0.01 -1.98 -0.06 0.00 -0.26 0.00 0.00 58.87 56.56 3ng5 n SER 52 Cb 0.11 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.44 0.87 3.51 5.00 0.00 0.03 -4.80 105.19 111.24 3ng5 n GLY 53 Ca 0.20 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.48 1.86 -0.10 1.61 2.02 -1.26 -0.66 118.70 119.69 3ng5 s GLU 54 Ca 0.00 -1.32 -0.01 0.00 0.02 0.00 0.00 54.97 53.66 3ng5 s GLU 54 Cb 0.00 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.19 3ng5 s GLU 54 CO 0.00 0.43 -0.05 -1.17 0.02 0.00 0.00 175.26 174.50 3ng5 s LEU 55 N -2.64 1.01 0.45 1.80 2.96 0.59 -0.09 118.68 122.75 3ng5 s LEU 55 Ca 0.22 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3ng5 s LEU 55 Cb -0.09 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.84 3ng5 s LEU 55 CO 0.13 -0.15 0.04 -1.00 -1.32 0.00 0.00 176.35 174.05 3ng5 s HIS 56 N 1.80 2.30 -0.07 5.38 3.76 -1.26 -1.91 115.29 125.28 3ng5 s HIS 56 Ca 0.05 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 3ng5 s HIS 56 Cb -0.13 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.81 3ng5 s HIS 56 CO -0.07 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.55 3ng5 n GLY 57 N -1.12 0.47 0.31 -2.22 0.00 -1.26 -4.90 105.19 96.47 3ng5 n GLY 57 Ca -0.09 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 0.99 -8.15 0.99 3.38 -1.87 -3.46 115.31 107.19 3ng5 h LEU 58 Ca -0.01 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3ng5 h LEU 58 Cb 0.07 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.46 3ng5 h LEU 58 CO 0.02 0.92 -0.13 0.28 0.09 0.00 0.00 178.44 179.62 3ng5 s THR 59 N -5.45 0.01 0.17 0.22 -1.32 -1.26 -4.78 115.64 103.23 3ng5 s THR 59 Ca -0.12 -1.33 0.05 0.00 -1.21 0.00 0.00 61.69 59.08 3ng5 s THR 59 Cb 0.14 -2.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.02 3ng5 s THR 59 CO 0.83 -0.06 0.15 0.42 -2.21 0.00 0.00 174.62 173.75 3ng5 s THR 60 N -3.99 4.52 0.57 5.08 -4.23 -1.26 -4.61 115.64 111.72 3ng5 s THR 60 Ca 0.20 -1.10 0.28 0.00 -1.18 0.00 0.00 61.69 59.89 3ng5 s THR 60 Cb -0.00 -3.33 0.39 0.00 1.34 0.00 0.00 72.50 70.91 3ng5 s THR 60 CO 0.06 -0.14 1.96 -0.33 -0.54 0.00 0.00 174.62 175.63 3ng5 h GLU 61 N 2.28 0.00 0.11 3.99 5.08 -1.93 -1.48 114.58 122.63 3ng5 h GLU 61 Ca -0.48 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.60 3ng5 h GLU 61 Cb 1.20 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.47 3ng5 h GLU 61 CO 0.63 0.00 -1.21 1.49 -1.00 0.00 0.00 179.01 178.92 3ng5 h GLU 62 N 0.00 0.46 0.00 2.33 4.81 -1.98 -3.29 114.58 116.92 3ng5 h GLU 62 Ca 0.22 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3ng5 h GLU 62 Cb 1.06 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3ng5 h GLU 62 CO -0.00 1.28 -0.35 0.93 -0.73 0.00 0.00 179.01 180.13 3ng5 h GLU 63 N 0.19 0.00 -4.49 1.92 4.39 -1.77 -3.41 114.58 111.41 3ng5 h GLU 63 Ca -0.16 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 58.81 3ng5 h GLU 63 Cb 1.89 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 30.38 3ng5 h GLU 63 CO 0.22 0.00 1.64 0.34 -1.16 0.00 0.00 179.01 180.04 3ng5 n PHE 64 N -2.35 4.39 -2.70 4.33 7.35 -0.63 -4.95 117.46 122.90 3ng5 n PHE 64 Ca 0.04 -3.17 -0.25 0.00 -0.76 0.00 0.00 57.45 53.31 3ng5 n PHE 64 Cb 0.46 -2.17 0.02 0.00 0.35 0.00 0.00 39.48 38.14 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 1.48 4.01 0.12 -2.13 -7.23 -1.26 -4.96 120.40 110.43 3ng5 s VAL 65 Ca 0.43 -0.19 -0.35 0.00 -1.81 0.00 0.00 61.98 60.06 3ng5 s VAL 65 Cb 0.01 -3.53 -0.16 0.00 0.56 0.00 0.00 36.38 33.26 3ng5 s VAL 65 CO 0.01 -0.47 1.30 -0.62 -0.31 0.00 0.00 175.10 175.01 3ng5 n GLU 66 N -2.31 1.22 -3.78 4.82 1.02 -1.26 -4.85 120.64 115.50 3ng5 n GLU 66 Ca 0.02 0.44 0.01 0.00 -0.02 0.00 0.00 57.16 57.61 3ng5 n GLU 66 Cb 0.57 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 3ng5 n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ng5 s GLY 67 N 0.36 -0.25 -0.21 0.62 0.00 -1.08 -5.00 107.32 101.77 3ng5 s GLY 67 Ca 0.81 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 45.71 3ng5 s GLY 67 CO 0.48 2.11 0.29 -0.42 0.00 0.00 0.00 173.10 175.56 3ng5 s ILE 68 N -2.33 5.28 0.15 0.90 1.01 -1.26 -0.05 121.20 124.89 3ng5 s ILE 68 Ca 0.20 0.49 0.11 0.00 0.00 0.00 0.00 60.65 61.45 3ng5 s ILE 68 Cb 0.02 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3ng5 s ILE 68 CO -0.01 0.31 -0.25 -0.31 0.00 0.00 0.00 174.94 174.68 3ng5 s TYR 69 N 1.05 2.32 -0.06 3.97 1.51 0.90 -0.77 117.35 126.27 3ng5 s TYR 69 Ca 0.14 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3ng5 s TYR 69 Cb -0.14 -1.21 0.01 0.00 -0.11 0.00 0.00 41.96 40.51 3ng5 s TYR 69 CO 0.06 0.41 -0.12 0.21 -1.11 0.00 0.00 175.55 174.99 3ng5 s LYS 70 N -2.31 1.66 -0.27 -0.62 2.20 -0.32 -1.03 119.74 119.04 3ng5 s LYS 70 Ca 0.17 -0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 55.32 3ng5 s LYS 70 Cb -0.09 -1.38 0.01 0.00 -1.51 0.00 0.00 37.83 34.86 3ng5 s LYS 70 CO 0.08 0.04 0.03 0.08 -0.36 0.00 0.00 175.35 175.22 3ng5 s VAL 71 N 0.60 3.57 -0.22 4.02 1.01 0.26 -0.24 120.40 129.41 3ng5 s VAL 71 Ca -0.13 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 3ng5 s VAL 71 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3ng5 s VAL 71 CO 0.03 0.14 0.07 -1.61 0.00 0.00 0.00 175.10 173.73 3ng5 s GLU 72 N 1.44 3.79 -0.17 2.72 2.02 0.60 -0.45 118.70 128.65 3ng5 s GLU 72 Ca 0.02 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 3ng5 s GLU 72 Cb -0.17 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 3ng5 s GLU 72 CO -0.00 0.01 -0.12 0.42 0.02 0.00 0.00 175.26 175.59 3ng5 s ILE 73 N 1.09 2.96 -1.35 -1.63 1.01 0.15 -0.68 121.20 122.75 3ng5 s ILE 73 Ca 0.04 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 3ng5 s ILE 73 Cb -0.14 -2.28 0.09 0.00 0.01 0.00 0.00 42.46 40.14 3ng5 s ILE 73 CO 0.03 0.49 1.95 -0.67 0.00 0.00 0.00 174.94 176.74 3ng5 n ASP 74 N 4.15 4.55 0.09 3.58 2.03 -0.11 -1.23 116.55 129.61 3ng5 n ASP 74 Ca -0.19 -2.93 -0.00 0.00 0.52 0.00 0.00 54.79 52.19 3ng5 n ASP 74 Cb 0.52 -1.63 0.29 0.00 -0.72 0.00 0.00 41.12 39.57 3ng5 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3ng5 h THR 75 N 4.39 1.24 -0.42 5.18 1.35 -1.86 -3.19 112.91 119.61 3ng5 h THR 75 Ca 0.47 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 3ng5 h THR 75 Cb 0.72 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 3ng5 h THR 75 CO 1.66 0.35 0.21 0.50 -0.25 0.00 0.00 175.52 177.99 3ng5 h LYS 76 N 0.26 0.59 -0.16 4.72 3.64 -1.72 -2.38 116.57 121.52 3ng5 h LYS 76 Ca 0.04 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3ng5 h LYS 76 Cb 0.59 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3ng5 h LYS 76 CO 0.04 0.49 -0.17 0.77 -2.27 0.00 0.00 179.45 178.32 3ng5 h SER 77 N 0.54 0.26 -0.31 4.20 0.02 -1.84 -1.18 113.55 115.23 3ng5 h SER 77 Ca 0.15 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3ng5 h SER 77 Cb 0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3ng5 h SER 77 CO -0.02 0.45 0.12 0.22 -1.14 0.00 0.00 176.83 176.46 3ng5 h TYR 78 N 0.25 0.48 -0.18 3.45 3.20 -1.48 -1.96 116.97 120.74 3ng5 h TYR 78 Ca 0.05 -0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.69 3ng5 h TYR 78 Cb 0.45 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3ng5 h TYR 78 CO 0.01 0.46 -0.66 -1.49 -1.64 0.00 0.00 178.16 174.84 3ng5 h TRP 79 N 0.36 0.88 -0.74 -3.82 4.06 -1.13 -3.03 115.95 112.51 3ng5 h TRP 79 Ca 0.10 -0.35 -0.03 0.00 2.06 0.00 0.00 58.89 60.67 3ng5 h TRP 79 Cb 0.19 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 3ng5 h TRP 79 CO -0.00 1.14 0.34 0.87 -3.56 0.00 0.00 178.44 177.23 3ng5 h LYS 80 N 0.49 1.07 -0.03 0.49 1.57 -1.20 -0.61 116.57 118.34 3ng5 h LYS 80 Ca -0.02 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3ng5 h LYS 80 Cb 1.25 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3ng5 h LYS 80 CO 0.13 0.83 0.02 0.00 -0.57 0.00 0.00 179.45 179.87 3ng5 h ALA 81 N 1.32 1.99 -0.13 3.86 0.00 -1.29 -1.27 119.26 123.75 3ng5 h ALA 81 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ng5 h ALA 81 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ng5 h ALA 81 CO -0.03 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.46 3ng5 n LEU 82 N -4.48 1.93 0.00 0.00 4.77 -0.40 -4.92 117.00 113.90 3ng5 n LEU 82 Ca -0.02 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 3ng5 n LEU 82 Cb 0.12 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3ng5 n LEU 82 CO 0.34 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3ng5 n GLY 83 N 1.21 0.38 3.36 -0.72 0.00 -0.48 -5.05 105.19 103.89 3ng5 n GLY 83 Ca 0.17 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 2.66 -0.42 -0.61 1.01 -0.37 -5.00 121.20 116.47 3ng5 s ILE 84 Ca 0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.59 3ng5 s ILE 84 Cb 0.00 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.44 3ng5 s ILE 84 CO 0.00 0.56 0.72 -0.55 0.00 0.00 0.00 174.94 175.67 3ng5 s SER 85 N -0.11 6.42 0.66 3.58 0.15 -1.26 -3.28 113.70 119.86 3ng5 s SER 85 Ca -0.03 -0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 3ng5 s SER 85 Cb -0.14 -2.36 0.09 0.00 -1.71 0.00 0.00 66.02 61.90 3ng5 s SER 85 CO 0.04 -0.79 0.92 -2.16 1.20 0.00 0.00 173.24 172.45 3ng5 s PRO 86 N 3.04 2.00 -0.18 5.44 0.04 -1.26 -4.97 135.00 139.11 3ng5 s PRO 86 Ca 0.27 -0.95 -0.21 0.00 0.04 0.00 0.00 61.00 60.15 3ng5 s PRO 86 Cb -0.13 -2.37 -0.21 0.00 0.04 0.00 0.00 34.50 31.82 3ng5 s PRO 86 CO 0.19 -1.19 0.33 0.35 0.04 0.00 0.00 177.00 176.72 3ng5 h PHE 87 N -0.33 0.09 -3.76 0.56 3.57 -1.50 -3.48 116.94 112.09 3ng5 h PHE 87 Ca -0.39 -0.06 -0.49 0.00 3.53 0.00 0.00 57.97 60.56 3ng5 h PHE 87 Cb 1.28 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 3ng5 h PHE 87 CO 0.03 1.47 0.23 -1.01 -2.23 0.00 0.00 178.31 176.80 3ng5 s HIS 88 N -2.38 3.63 0.17 0.41 3.76 -1.26 -4.97 115.29 114.65 3ng5 s HIS 88 Ca -0.26 1.58 -0.07 0.00 -0.15 0.00 0.00 55.06 56.15 3ng5 s HIS 88 Cb 0.05 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 31.01 3ng5 s HIS 88 CO 0.64 0.23 1.50 0.93 -0.85 0.00 0.00 174.74 177.19 3ng5 h GLU 89 N 3.13 0.78 -2.17 1.40 4.39 -1.97 -3.36 114.58 116.77 3ng5 h GLU 89 Ca -0.47 -0.43 0.25 0.00 0.34 0.00 0.00 59.36 59.04 3ng5 h GLU 89 Cb 1.19 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3ng5 h GLU 89 CO 0.65 1.06 0.71 -3.38 -1.16 0.00 0.00 179.01 176.89 3ng5 s HIS 90 N -4.25 0.01 -0.11 4.33 -3.43 -1.26 -3.42 115.29 107.16 3ng5 s HIS 90 Ca -0.09 -0.26 0.01 0.00 -0.80 0.00 0.00 55.06 53.92 3ng5 s HIS 90 Cb 0.11 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.87 3ng5 s HIS 90 CO 0.86 -0.59 -0.16 0.00 -2.00 0.00 0.00 174.74 172.85 3ng5 s ALA 91 N -2.32 2.52 -0.10 -1.38 0.00 -0.37 -4.88 121.76 115.23 3ng5 s ALA 91 Ca 0.21 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3ng5 s ALA 91 Cb -0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 3ng5 s ALA 91 CO 0.01 0.29 -0.12 -1.21 0.00 0.00 0.00 175.76 174.74 3ng5 s GLU 92 N 0.24 3.01 -0.19 0.00 2.02 -1.26 -0.67 118.70 121.85 3ng5 s GLU 92 Ca -0.10 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.25 3ng5 s GLU 92 Cb -0.16 -2.56 0.03 0.00 0.10 0.00 0.00 34.13 31.54 3ng5 s GLU 92 CO 0.06 0.43 -0.15 0.08 0.02 0.00 0.00 175.26 175.69 3ng5 s VAL 93 N -0.19 1.91 -0.11 2.63 1.01 0.41 -4.97 120.40 121.09 3ng5 s VAL 93 Ca 0.01 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.98 3ng5 s VAL 93 Cb -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.40 3ng5 s VAL 93 CO 0.03 0.34 -0.23 -0.69 0.00 0.00 0.00 175.10 174.55 3ng5 s VAL 94 N 1.31 2.13 0.01 2.92 1.01 -1.26 -0.57 120.40 125.94 3ng5 s VAL 94 Ca 0.01 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 3ng5 s VAL 94 Cb -0.15 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.47 3ng5 s VAL 94 CO -0.10 0.55 0.62 0.72 0.00 0.00 0.00 175.10 176.89 3ng5 s PHE 95 N 0.45 -0.57 -0.08 5.22 -0.71 -0.20 -4.99 117.98 117.09 3ng5 s PHE 95 Ca -0.16 0.83 -0.24 0.00 -1.04 0.00 0.00 56.93 56.32 3ng5 s PHE 95 Cb -0.17 0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 42.02 3ng5 s PHE 95 CO 0.06 -0.65 0.75 0.99 -1.34 0.00 0.00 175.22 175.03 3ng5 s THR 96 N -1.88 5.00 -0.02 -4.49 2.01 -1.26 -0.07 115.64 114.93 3ng5 s THR 96 Ca -0.08 1.52 0.02 0.00 0.31 0.00 0.00 61.69 63.47 3ng5 s THR 96 Cb -0.01 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3ng5 s THR 96 CO 0.03 0.20 -0.06 0.00 -0.69 0.00 0.00 174.62 174.10 3ng5 s ALA 97 N 1.11 3.03 -1.88 7.40 0.00 0.92 -4.74 121.76 127.60 3ng5 s ALA 97 Ca 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3ng5 s ALA 97 Cb -0.18 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3ng5 s ALA 97 CO 0.18 0.60 0.00 0.09 0.00 0.00 0.00 175.76 176.63 3ng5 n ASN 98 N 1.74 -5.16 0.28 0.00 3.02 -1.26 -2.64 115.26 111.25 3ng5 n ASN 98 Ca -0.16 0.42 0.17 0.00 -0.03 0.00 0.00 54.58 54.98 3ng5 n ASN 98 Cb 0.53 -4.23 0.81 0.00 -0.61 0.00 0.00 39.78 36.28 3ng5 n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3ng5 h ASP 99 N 0.00 0.00 -0.30 6.41 2.03 -1.92 -2.30 116.42 120.33 3ng5 h ASP 99 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 3ng5 h ASP 99 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 3ng5 h ASP 99 CO 0.53 0.06 0.00 -1.20 -1.03 0.00 0.00 179.24 177.60 3ng5 n SER 100 N -3.30 3.85 0.00 4.15 7.64 -1.26 -5.07 113.62 119.63 3ng5 n SER 100 Ca -0.01 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.05 3ng5 n SER 100 Cb 0.24 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.21 1.09 3.74 0.23 0.00 -0.87 -5.05 105.19 104.11 3ng5 n GLY 101 Ca 0.20 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.17 4.49 0.17 1.61 0.05 -1.26 -4.29 135.00 134.60 3ng5 s PRO 102 Ca 0.00 1.89 0.04 0.00 0.05 0.00 0.00 61.00 62.98 3ng5 s PRO 102 Cb 0.00 -3.23 -0.05 0.00 0.05 0.00 0.00 34.50 31.28 3ng5 s PRO 102 CO 0.00 -0.08 -0.07 1.03 0.05 0.00 0.00 177.00 177.93 3ng5 s ARG 103 N -0.38 1.12 -0.16 4.56 1.81 -1.26 -4.89 118.95 119.75 3ng5 s ARG 103 Ca 0.52 -1.50 -0.08 0.00 -1.72 0.00 0.00 55.73 52.96 3ng5 s ARG 103 Cb -0.33 -0.59 -0.04 0.00 -0.45 0.00 0.00 34.95 33.54 3ng5 s ARG 103 CO 0.38 0.02 0.11 1.03 -0.68 0.00 0.00 175.30 176.16 3ng5 s ARG 104 N -3.78 3.75 -0.12 3.54 0.52 -0.18 -4.83 118.95 117.85 3ng5 s ARG 104 Ca 0.19 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 3ng5 s ARG 104 Cb 0.03 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 3ng5 s ARG 104 CO 0.02 0.51 -0.16 0.71 0.02 0.00 0.00 175.30 176.40 3ng5 s TYR 105 N -0.26 2.74 -0.23 -0.53 1.51 0.92 -1.43 117.35 120.07 3ng5 s TYR 105 Ca 0.10 -0.76 -0.00 0.00 -1.01 0.00 0.00 57.07 55.39 3ng5 s TYR 105 Cb -0.12 -1.81 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 3ng5 s TYR 105 CO 0.01 -0.27 -0.11 0.99 -1.11 0.00 0.00 175.55 175.06 3ng5 s THR 106 N 0.35 2.54 -0.26 -0.71 2.01 -0.37 -1.05 115.64 118.15 3ng5 s THR 106 Ca -0.13 -1.06 -0.11 0.00 0.31 0.00 0.00 61.69 60.70 3ng5 s THR 106 Cb -0.16 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 3ng5 s THR 106 CO 0.07 0.28 0.19 -0.63 -0.69 0.00 0.00 174.62 173.84 3ng5 s ILE 107 N 1.29 5.32 -0.09 1.82 1.01 0.04 -1.35 121.20 129.24 3ng5 s ILE 107 Ca 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.85 3ng5 s ILE 107 Cb -0.16 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3ng5 s ILE 107 CO -0.07 0.28 -0.06 0.00 0.00 0.00 0.00 174.94 175.09 3ng5 s ALA 108 N 1.50 2.99 -0.09 9.38 0.00 -0.35 -0.51 121.76 134.68 3ng5 s ALA 108 Ca 0.08 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3ng5 s ALA 108 Cb -0.15 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.65 3ng5 s ALA 108 CO 0.08 0.47 -0.19 0.00 0.00 0.00 0.00 175.76 176.13 3ng5 s ALA 109 N -0.47 1.79 -0.25 0.00 0.00 0.33 -1.18 121.76 121.99 3ng5 s ALA 109 Ca 0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 3ng5 s ALA 109 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3ng5 s ALA 109 CO 0.02 0.17 -0.00 -1.17 0.00 0.00 0.00 175.76 174.78 3ng5 s LEU 110 N 0.55 3.26 -0.14 0.00 2.96 0.01 -0.51 118.68 124.80 3ng5 s LEU 110 Ca -0.16 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.17 3ng5 s LEU 110 Cb -0.17 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3ng5 s LEU 110 CO 0.06 -0.09 0.03 -0.76 -1.32 0.00 0.00 176.35 174.27 3ng5 s LEU 111 N 1.47 3.67 0.20 -0.68 1.43 0.15 -1.49 118.68 123.44 3ng5 s LEU 111 Ca 0.04 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 3ng5 s LEU 111 Cb -0.16 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3ng5 s LEU 111 CO -0.01 0.25 -0.08 -0.44 0.23 0.00 0.00 176.35 176.30 3ng5 s SER 112 N -0.12 2.16 0.48 2.29 0.01 0.11 -0.75 113.70 117.88 3ng5 s SER 112 Ca 0.05 -1.09 0.13 0.00 1.31 0.00 0.00 55.95 56.36 3ng5 s SER 112 Cb -0.12 -0.06 1.13 0.00 0.21 0.00 0.00 66.02 67.17 3ng5 s SER 112 CO 0.02 -0.33 2.12 -0.65 0.41 0.00 0.00 173.24 174.80 3ng5 h PRO 113 N 2.57 0.19 -0.01 12.44 0.11 -1.99 -2.89 132.00 142.42 3ng5 h PRO 113 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3ng5 h PRO 113 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ng5 h PRO 113 CO 0.64 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 179.21 3ng5 n TYR 114 N -4.52 0.03 -3.59 0.65 4.02 -1.26 -1.18 117.16 111.31 3ng5 n TYR 114 Ca -0.01 -0.95 -0.14 0.00 -0.01 0.00 0.00 57.90 56.79 3ng5 n TYR 114 Cb 0.09 -0.15 -0.06 0.00 -0.02 0.00 0.00 39.34 39.20 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 -2.69 -0.63 0.04 7.72 0.15 -1.09 -4.96 113.70 112.24 3ng5 s SER 115 Ca 0.29 1.01 -0.07 0.00 0.70 0.00 0.00 55.95 57.89 3ng5 s SER 115 Cb 0.26 0.95 -0.01 0.00 -1.71 0.00 0.00 66.02 65.52 3ng5 s SER 115 CO 0.03 -0.36 0.13 -0.72 1.20 0.00 0.00 173.24 173.53 3ng5 s TYR 116 N -0.30 0.15 0.10 3.44 -0.85 -1.26 -0.71 117.35 117.92 3ng5 s TYR 116 Ca -0.03 -0.43 0.08 0.00 -0.52 0.00 0.00 57.07 56.17 3ng5 s TYR 116 Cb -0.03 -0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 3ng5 s TYR 116 CO 0.03 -0.39 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.92 3ng5 s SER 117 N -2.14 2.44 0.00 -0.18 1.04 -0.55 -4.98 113.70 109.32 3ng5 s SER 117 Ca -0.05 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.73 3ng5 s SER 117 Cb -0.01 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 3ng5 s SER 117 CO -0.05 0.04 -0.09 0.28 0.98 0.00 0.00 173.24 174.41 3ng5 s THR 118 N -1.20 0.67 0.03 2.02 -1.32 -1.26 -0.81 115.64 113.76 3ng5 s THR 118 Ca 0.06 -0.45 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 3ng5 s THR 118 Cb -0.10 -0.58 -0.02 0.00 -1.51 0.00 0.00 72.50 70.29 3ng5 s THR 118 CO 0.04 0.13 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.65 3ng5 s THR 119 N -0.32 0.25 -0.07 5.08 2.01 -0.32 -4.99 115.64 117.27 3ng5 s THR 119 Ca 0.02 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.15 3ng5 s THR 119 Cb -0.04 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 3ng5 s THR 119 CO -0.00 -0.43 -0.21 0.00 -0.69 0.00 0.00 174.62 173.29 3ng5 s ALA 120 N -1.35 2.35 -0.21 7.40 0.00 -1.26 -1.22 121.76 127.47 3ng5 s ALA 120 Ca -0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 3ng5 s ALA 120 Cb -0.09 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3ng5 s ALA 120 CO -0.00 0.41 -0.09 0.08 0.00 0.00 0.00 175.76 176.16 3ng5 s VAL 121 N -0.16 3.01 -0.17 0.00 1.01 -0.46 -4.99 120.40 118.65 3ng5 s VAL 121 Ca -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3ng5 s VAL 121 Cb -0.14 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.91 3ng5 s VAL 121 CO 0.04 0.45 -0.19 -0.69 0.00 0.00 0.00 175.10 174.71 3ng5 s VAL 122 N 1.43 1.95 0.24 2.92 1.01 -1.26 -1.24 120.40 125.45 3ng5 s VAL 122 Ca 0.06 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3ng5 s VAL 122 Cb -0.14 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3ng5 s VAL 122 CO -0.06 0.52 -0.05 0.42 0.00 0.00 0.00 175.10 175.93 3ng5 s THR 123 N 1.26 1.40 -2.20 3.92 -4.23 -0.52 -4.96 115.64 110.32 3ng5 s THR 123 Ca 0.03 -2.10 0.18 0.00 -1.18 0.00 0.00 61.69 58.62 3ng5 s THR 123 Cb -0.13 -2.30 0.14 0.00 1.34 0.00 0.00 72.50 71.54 3ng5 s THR 123 CO -0.11 -0.39 1.06 -3.20 -0.54 0.00 0.00 174.62 171.44