#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijn n PRO 11 N 0.00 0.04 -4.33 0.00 -0.04 -1.26 -4.64 135.00 124.77 1ijn n PRO 11 Ca 0.00 0.18 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 1ijn n PRO 11 Cb 0.00 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.73 1ijn n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ijn s LEU 12 N -3.28 1.51 0.02 1.53 2.96 -1.26 0.15 118.68 120.30 1ijn s LEU 12 Ca 0.09 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1ijn s LEU 12 Cb 0.13 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 1ijn s LEU 12 CO 0.39 -0.02 0.01 -0.32 -1.32 0.00 0.00 176.35 175.09 1ijn s MET 13 N 1.06 0.38 -0.06 1.98 1.75 -0.29 -4.44 119.30 119.69 1ijn s MET 13 Ca -0.07 -0.60 0.03 0.00 -1.25 0.00 0.00 55.69 53.80 1ijn s MET 13 Cb -0.15 0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.67 1ijn s MET 13 CO -0.01 -0.07 -0.15 0.08 -0.65 0.00 0.00 175.02 174.21 1ijn s VAL 14 N -1.62 1.33 -0.07 10.11 1.01 -1.22 -0.74 120.40 129.21 1ijn s VAL 14 Ca -0.14 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1ijn s VAL 14 Cb -0.08 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1ijn s VAL 14 CO -0.01 0.39 -0.15 -0.75 0.00 0.00 0.00 175.10 174.59 1ijn s LYS 15 N 0.34 1.88 -0.06 2.72 2.20 -0.34 -1.62 119.74 124.86 1ijn s LYS 15 Ca -0.10 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 1ijn s LYS 15 Cb -0.14 -1.54 0.01 0.00 -1.51 0.00 0.00 37.83 34.66 1ijn s LYS 15 CO 0.03 0.09 -0.12 0.08 -0.36 0.00 0.00 175.35 175.07 1ijn s VAL 16 N 0.50 1.09 0.16 4.02 1.01 0.40 -0.76 120.40 126.81 1ijn s VAL 16 Ca -0.13 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.50 1ijn s VAL 16 Cb -0.15 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1ijn s VAL 16 CO 0.04 0.34 -0.24 -0.76 0.00 0.00 0.00 175.10 174.48 1ijn s LEU 17 N 0.63 2.37 -0.31 3.92 1.43 -0.28 -1.17 118.68 125.27 1ijn s LEU 17 Ca -0.13 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.11 1ijn s LEU 17 Cb -0.15 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 44.97 1ijn s LEU 17 CO 0.03 0.12 0.07 -0.62 0.23 0.00 0.00 176.35 176.19 1ijn s ASP 18 N -2.35 5.13 0.22 2.29 -1.08 0.71 -0.89 116.67 120.70 1ijn s ASP 18 Ca 0.16 -0.96 0.25 0.00 -0.52 0.00 0.00 52.55 51.47 1ijn s ASP 18 Cb -0.09 -1.85 0.90 0.00 -1.46 0.00 0.00 42.92 40.43 1ijn s ASP 18 CO 0.07 -0.26 1.75 0.00 0.52 0.00 0.00 175.17 177.25 1ijn n ALA 19 N 4.81 1.98 -0.08 3.66 0.00 -0.05 -0.79 120.51 130.04 1ijn n ALA 19 Ca -0.14 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1ijn n ALA 19 Cb 0.46 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 1ijn n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ijn h VAL 20 N 0.00 1.05 0.00 0.00 2.07 -1.94 -3.38 116.25 114.04 1ijn h VAL 20 Ca 0.00 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1ijn h VAL 20 Cb 0.55 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1ijn h VAL 20 CO 0.00 0.36 -0.39 0.03 0.02 0.00 0.00 177.57 177.59 1ijn h ARG 21 N -1.00 0.00 -4.59 1.57 3.08 -1.94 -3.48 114.38 108.02 1ijn h ARG 21 Ca -0.11 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.75 1ijn h ARG 21 Cb 0.89 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.07 1ijn h ARG 21 CO -0.07 0.00 -0.56 0.41 -1.07 0.00 0.00 179.97 178.68 1ijn n GLY 22 N 1.30 -0.35 3.81 0.04 0.00 0.03 -5.03 105.19 104.98 1ijn n GLY 22 Ca 0.04 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 1ijn n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijn s SER 23 N -3.50 -0.11 0.72 1.61 1.04 -1.08 -5.01 113.70 107.37 1ijn s SER 23 Ca 0.20 -0.60 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 1ijn s SER 23 Cb -0.03 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.70 1ijn s SER 23 CO 0.50 -1.08 1.18 -2.84 0.98 0.00 0.00 173.24 171.98 1ijn s PRO 24 N -2.90 2.22 -0.41 4.02 0.02 -1.26 -0.21 135.00 136.47 1ijn s PRO 24 Ca 0.15 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.67 1ijn s PRO 24 Cb -0.03 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.66 1ijn s PRO 24 CO 0.05 -1.76 0.46 0.00 -0.33 0.00 0.00 177.00 175.42 1ijn s ALA 25 N -2.09 3.42 -0.08 -1.55 0.00 -0.32 -4.50 121.76 116.65 1ijn s ALA 25 Ca 0.72 -1.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1ijn s ALA 25 Cb -0.27 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ijn s ALA 25 CO 0.45 -1.56 0.14 0.42 0.00 0.00 0.00 175.76 175.22 1ijn s ILE 26 N 2.23 5.38 -1.11 0.00 1.01 -1.26 -4.37 121.20 123.08 1ijn s ILE 26 Ca 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 1ijn s ILE 26 Cb -0.17 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1ijn s ILE 26 CO 0.14 0.53 0.38 -3.20 0.00 0.00 0.00 174.94 172.79 1ijn n ASN 27 N 1.67 -4.72 -4.70 3.58 4.05 -0.58 -4.95 115.26 109.60 1ijn n ASN 27 Ca -0.17 -0.18 -0.38 0.00 0.45 0.00 0.00 54.58 54.30 1ijn n ASN 27 Cb 0.54 -3.62 -0.06 0.00 1.23 0.00 0.00 39.78 37.87 1ijn n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ijn s VAL 28 N -2.96 5.16 0.24 3.44 1.01 -1.26 -4.78 120.40 121.25 1ijn s VAL 28 Ca 0.19 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.83 1ijn s VAL 28 Cb -0.08 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1ijn s VAL 28 CO 0.23 0.28 1.12 0.00 0.00 0.00 0.00 175.10 176.73 1ijn s ALA 29 N 0.94 3.40 -0.04 5.51 0.00 -1.26 -1.55 121.76 128.77 1ijn s ALA 29 Ca 0.26 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1ijn s ALA 29 Cb -0.15 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1ijn s ALA 29 CO 0.10 -0.22 -0.05 0.08 0.00 0.00 0.00 175.76 175.67 1ijn s VAL 30 N -0.71 0.58 -0.10 0.00 1.01 -0.04 -1.06 120.40 120.07 1ijn s VAL 30 Ca 0.47 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1ijn s VAL 30 Cb -0.31 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1ijn s VAL 30 CO 0.39 0.22 -0.20 -1.00 0.00 0.00 0.00 175.10 174.51 1ijn s HIS 31 N 0.70 2.26 -0.09 5.22 3.76 0.10 -1.54 115.29 125.70 1ijn s HIS 31 Ca -0.10 -0.99 -0.02 0.00 -0.15 0.00 0.00 55.06 53.81 1ijn s HIS 31 Cb -0.13 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 1ijn s HIS 31 CO 0.00 -0.44 0.00 0.08 -0.85 0.00 0.00 174.74 173.54 1ijn s VAL 32 N 0.62 4.33 0.07 -0.90 1.01 0.18 -0.10 120.40 125.60 1ijn s VAL 32 Ca -0.13 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1ijn s VAL 32 Cb -0.17 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1ijn s VAL 32 CO 0.04 0.60 -0.13 -0.36 0.00 0.00 0.00 175.10 175.25 1ijn s PHE 33 N -0.83 1.13 -0.05 5.22 0.40 0.05 -0.93 117.98 122.97 1ijn s PHE 33 Ca 0.13 -0.48 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1ijn s PHE 33 Cb -0.11 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 1ijn s PHE 33 CO 0.02 0.03 -0.19 0.50 0.70 0.00 0.00 175.22 176.29 1ijn s ARG 34 N -1.83 2.43 -0.08 0.44 3.52 0.36 -0.62 118.95 123.18 1ijn s ARG 34 Ca -0.02 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 1ijn s ARG 34 Cb -0.09 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 1ijn s ARG 34 CO 0.02 0.56 1.30 0.21 -0.81 0.00 0.00 175.30 176.58 1ijn s LYS 35 N -0.59 4.28 0.69 5.12 2.20 0.21 -0.74 119.74 130.92 1ijn s LYS 35 Ca 0.09 1.78 -0.05 0.00 -0.36 0.00 0.00 55.97 57.42 1ijn s LYS 35 Cb -0.11 -3.66 0.06 0.00 -1.51 0.00 0.00 37.83 32.61 1ijn s LYS 35 CO 0.01 -0.59 0.98 0.00 -0.36 0.00 0.00 175.35 175.39 1ijn s ALA 36 N 2.81 3.27 0.37 3.13 0.00 -0.20 -4.77 121.76 126.37 1ijn s ALA 36 Ca 0.59 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.62 1ijn s ALA 36 Cb -0.26 -2.50 0.86 0.00 0.00 0.00 0.00 23.12 21.22 1ijn s ALA 36 CO 0.21 -1.25 1.89 0.00 0.00 0.00 0.00 175.76 176.61 1ijn h ALA 37 N -0.52 1.88 -0.14 0.00 0.00 -1.95 -0.45 119.26 118.07 1ijn h ALA 37 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ijn h ALA 37 Cb 1.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ijn h ALA 37 CO 0.58 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 1ijn n ASP 38 N -4.54 0.79 -0.22 0.00 5.75 -1.26 -4.89 116.55 112.18 1ijn n ASP 38 Ca 0.16 -1.96 -0.03 0.00 -0.01 0.00 0.00 54.79 52.95 1ijn n ASP 38 Cb 0.46 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.44 1ijn n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ijn n ASP 39 N -0.08 -3.82 -4.96 -1.12 9.92 -0.18 -5.04 116.55 111.28 1ijn n ASP 39 Ca 0.06 0.07 -0.22 0.00 -0.53 0.00 0.00 54.79 54.16 1ijn n ASP 39 Cb 0.13 -1.57 0.01 0.00 -0.64 0.00 0.00 41.12 39.05 1ijn n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1ijn s THR 40 N -1.95 4.06 -0.39 -3.53 -4.23 -1.26 -4.84 115.64 103.49 1ijn s THR 40 Ca 0.00 -0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 59.79 1ijn s THR 40 Cb 0.00 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.36 1ijn s THR 40 CO 0.00 -0.32 0.43 0.26 -0.54 0.00 0.00 174.62 174.45 1ijn s TRP 41 N -2.50 3.18 -0.22 3.99 0.52 -1.26 -1.03 118.94 121.62 1ijn s TRP 41 Ca 0.48 -0.21 -0.20 0.00 0.02 0.00 0.00 56.10 56.19 1ijn s TRP 41 Cb -0.10 -2.85 -0.03 0.00 -1.15 0.00 0.00 33.47 29.34 1ijn s TRP 41 CO 0.37 -0.62 0.60 -2.00 0.02 0.00 0.00 176.95 175.32 1ijn s GLU 42 N 2.16 4.17 0.22 4.98 2.12 0.08 -4.87 118.70 127.56 1ijn s GLU 42 Ca 0.13 0.53 -0.32 0.00 0.36 0.00 0.00 54.97 55.67 1ijn s GLU 42 Cb -0.17 -3.60 -0.14 0.00 0.26 0.00 0.00 34.13 30.49 1ijn s GLU 42 CO 0.13 -0.27 1.34 -2.30 -0.54 0.00 0.00 175.26 173.62 1ijn n PRO 43 N 5.19 1.77 0.00 4.30 -0.02 -1.26 -0.48 135.00 144.49 1ijn n PRO 43 Ca -0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1ijn n PRO 43 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1ijn n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ijn n PHE 44 N 1.82 0.00 -3.50 6.00 7.35 -0.10 -4.77 117.46 124.26 1ijn n PHE 44 Ca 0.13 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.73 1ijn n PHE 44 Cb 0.29 0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.13 1ijn n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ijn s ALA 45 N -1.97 -1.81 0.13 3.13 0.00 -0.92 -5.01 121.76 115.32 1ijn s ALA 45 Ca 0.00 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 52.71 1ijn s ALA 45 Cb 0.00 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.62 1ijn s ALA 45 CO 0.00 -0.69 0.72 -1.54 0.00 0.00 0.00 175.76 174.25 1ijn s SER 46 N -2.47 -0.45 -0.02 0.00 1.04 -1.26 0.49 113.70 111.02 1ijn s SER 46 Ca 0.05 -0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.29 1ijn s SER 46 Cb -0.01 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1ijn s SER 46 CO -0.09 -0.92 0.34 0.61 0.98 0.00 0.00 173.24 174.16 1ijn n GLY 47 N -0.36 0.36 3.31 7.32 0.00 -0.59 -5.02 105.19 110.21 1ijn n GLY 47 Ca -0.12 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 1ijn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ijn s LYS 48 N -2.00 2.45 0.61 1.61 1.02 -1.26 -0.86 119.74 121.30 1ijn s LYS 48 Ca 0.08 -0.88 -0.18 0.00 0.02 0.00 0.00 55.97 55.01 1ijn s LYS 48 Cb -0.00 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 1ijn s LYS 48 CO -0.01 0.46 1.19 0.95 -0.92 0.00 0.00 175.35 177.02 1ijn s THR 49 N -0.34 2.70 0.51 2.17 -4.23 -0.59 -4.82 115.64 111.04 1ijn s THR 49 Ca 0.02 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 1ijn s THR 49 Cb -0.12 -3.11 0.11 0.00 1.34 0.00 0.00 72.50 70.72 1ijn s THR 49 CO 0.02 -0.12 0.70 -1.54 -0.54 0.00 0.00 174.62 173.15 1ijn n SER 50 N -1.78 0.35 0.28 3.99 3.41 -0.02 -1.53 113.62 118.33 1ijn n SER 50 Ca 0.13 -1.43 0.19 0.00 -0.26 0.00 0.00 58.87 57.49 1ijn n SER 50 Cb 0.50 -0.51 1.00 0.00 -0.26 0.00 0.00 64.21 64.94 1ijn n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ijn h GLU 51 N 0.00 0.00 -0.18 4.33 5.08 -1.94 0.82 114.58 122.70 1ijn h GLU 51 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1ijn h GLU 51 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ijn h GLU 51 CO 0.19 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.07 1ijn n SER 52 N -2.81 3.08 -0.05 1.42 3.41 -1.26 -4.81 113.62 112.60 1ijn n SER 52 Ca -0.02 -1.97 -0.01 0.00 -0.26 0.00 0.00 58.87 56.61 1ijn n SER 52 Cb 0.08 -0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1ijn n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ijn n GLY 53 N 1.40 0.48 3.71 5.00 0.00 0.28 -4.80 105.19 111.26 1ijn n GLY 53 Ca 0.16 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1ijn n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ijn s GLU 54 N -0.85 2.60 -0.33 1.61 2.02 -1.26 -0.45 118.70 122.03 1ijn s GLU 54 Ca 0.00 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1ijn s GLU 54 Cb 0.00 -2.52 0.10 0.00 0.10 0.00 0.00 34.13 31.81 1ijn s GLU 54 CO 0.00 0.51 0.10 -1.17 0.02 0.00 0.00 175.26 174.71 1ijn s LEU 55 N -2.66 2.91 0.51 1.80 2.96 -0.64 -0.84 118.68 122.73 1ijn s LEU 55 Ca 0.27 -1.85 0.04 0.00 -0.22 0.00 0.00 54.13 52.38 1ijn s LEU 55 Cb -0.11 -1.07 0.03 0.00 0.50 0.00 0.00 46.19 45.54 1ijn s LEU 55 CO 0.20 -0.39 0.70 -1.00 -1.32 0.00 0.00 176.35 174.53 1ijn s HIS 56 N 1.33 2.70 -1.76 5.38 3.76 -1.26 -3.46 115.29 121.98 1ijn s HIS 56 Ca 0.11 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1ijn s HIS 56 Cb -0.18 -2.59 0.00 0.00 1.11 0.00 0.00 32.58 30.92 1ijn s HIS 56 CO -0.19 -0.75 0.00 0.41 -0.85 0.00 0.00 174.74 173.37 1ijn n GLY 57 N -2.16 -0.26 0.30 -2.22 0.00 -1.26 -4.91 105.19 94.68 1ijn n GLY 57 Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1ijn n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ijn h LEU 58 N 0.00 1.01 -8.12 0.99 3.38 -1.81 -3.48 115.31 107.28 1ijn h LEU 58 Ca -0.47 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.12 1ijn h LEU 58 Cb 1.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1ijn h LEU 58 CO 0.57 1.08 0.18 0.28 0.09 0.00 0.00 178.44 180.63 1ijn s THR 59 N -4.98 0.00 0.33 0.22 -1.32 -1.26 -4.79 115.64 103.84 1ijn s THR 59 Ca -0.11 -1.13 0.06 0.00 -1.21 0.00 0.00 61.69 59.30 1ijn s THR 59 Cb 0.14 -2.90 -0.07 0.00 -1.51 0.00 0.00 72.50 68.16 1ijn s THR 59 CO 0.85 0.00 -0.01 0.42 -2.21 0.00 0.00 174.62 173.67 1ijn s THR 60 N -2.33 1.64 0.22 5.08 -4.23 -1.26 -4.51 115.64 110.25 1ijn s THR 60 Ca 0.19 -2.06 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1ijn s THR 60 Cb -0.04 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.27 1ijn s THR 60 CO 0.14 -0.13 1.84 -0.33 -0.54 0.00 0.00 174.62 175.60 1ijn h GLU 61 N 2.09 0.83 -0.83 3.99 5.08 -1.97 -1.28 114.58 122.48 1ijn h GLU 61 Ca -0.41 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1ijn h GLU 61 Cb 1.24 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1ijn h GLU 61 CO 0.71 0.55 0.47 1.49 -1.00 0.00 0.00 179.01 181.24 1ijn h GLU 62 N 0.86 1.14 0.00 2.33 4.81 -2.05 -3.06 114.58 118.61 1ijn h GLU 62 Ca 0.32 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1ijn h GLU 62 Cb 0.13 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ijn h GLU 62 CO -0.15 0.82 -0.91 0.93 -0.73 0.00 0.00 179.01 178.96 1ijn h GLU 63 N 1.15 0.00 -4.73 1.92 5.08 -1.83 -3.41 114.58 112.76 1ijn h GLU 63 Ca 0.30 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.92 1ijn h GLU 63 Cb -0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 1ijn h GLU 63 CO -0.05 0.36 1.26 0.12 -1.00 0.00 0.00 179.01 179.70 1ijn s PHE 64 N -2.98 3.49 0.53 4.33 5.36 -0.53 -4.97 117.98 123.20 1ijn s PHE 64 Ca 0.01 -2.08 -0.03 0.00 -0.96 0.00 0.00 56.93 53.87 1ijn s PHE 64 Cb 0.08 -4.29 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 1ijn s PHE 64 CO 0.78 -1.39 0.80 0.14 -1.46 0.00 0.00 175.22 174.09 1ijn s VAL 65 N 1.58 3.86 0.44 3.12 -7.23 -1.26 -4.92 120.40 115.99 1ijn s VAL 65 Ca 0.41 -0.18 -0.24 0.00 -1.81 0.00 0.00 61.98 60.16 1ijn s VAL 65 Cb -0.03 -3.48 -0.10 0.00 0.56 0.00 0.00 36.38 33.33 1ijn s VAL 65 CO -0.01 -0.43 1.06 -0.62 -0.31 0.00 0.00 175.10 174.79 1ijn n GLU 66 N -2.37 1.43 -3.18 4.82 1.02 -1.26 -4.90 120.64 116.21 1ijn n GLU 66 Ca 0.03 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1ijn n GLU 66 Cb 0.57 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1ijn n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ijn n GLY 67 N 1.11 -1.35 3.70 0.62 0.00 -1.09 -4.97 105.19 103.21 1ijn n GLY 67 Ca 0.09 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 1ijn n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ijn s ILE 68 N -2.43 5.36 0.16 -0.61 1.01 -1.26 -0.24 121.20 123.18 1ijn s ILE 68 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 60.65 60.93 1ijn s ILE 68 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1ijn s ILE 68 CO 0.00 0.40 -0.24 -0.31 0.00 0.00 0.00 174.94 174.79 1ijn s TYR 69 N 0.66 2.18 -0.10 3.97 1.51 -0.24 -0.62 117.35 124.72 1ijn s TYR 69 Ca 0.08 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1ijn s TYR 69 Cb -0.12 -1.13 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 1ijn s TYR 69 CO 0.01 0.39 -0.17 0.21 -1.11 0.00 0.00 175.55 174.87 1ijn s LYS 70 N -2.37 2.41 -0.30 -0.62 2.20 0.21 -1.75 119.74 119.52 1ijn s LYS 70 Ca 0.16 -0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 55.07 1ijn s LYS 70 Cb -0.09 -1.97 0.02 0.00 -1.51 0.00 0.00 37.83 34.28 1ijn s LYS 70 CO 0.07 0.00 0.07 0.08 -0.36 0.00 0.00 175.35 175.22 1ijn s VAL 71 N 0.79 3.78 -0.25 4.02 1.01 0.73 -0.77 120.40 129.72 1ijn s VAL 71 Ca -0.10 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1ijn s VAL 71 Cb -0.16 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1ijn s VAL 71 CO 0.01 0.01 0.10 -0.70 0.00 0.00 0.00 175.10 174.52 1ijn s GLU 72 N 1.45 3.76 -0.22 2.72 2.12 0.86 -0.30 118.70 129.08 1ijn s GLU 72 Ca 0.01 -0.43 -0.05 0.00 0.36 0.00 0.00 54.97 54.86 1ijn s GLU 72 Cb -0.18 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1ijn s GLU 72 CO 0.02 -0.13 0.01 0.42 -0.54 0.00 0.00 175.26 175.04 1ijn s ILE 73 N 1.50 3.93 -1.27 -3.70 1.01 0.44 -0.72 121.20 122.39 1ijn s ILE 73 Ca 0.06 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.22 1ijn s ILE 73 Cb -0.15 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1ijn s ILE 73 CO 0.05 0.40 2.01 -0.67 0.00 0.00 0.00 174.94 176.73 1ijn n ASP 74 N 4.58 3.85 0.06 3.58 -0.08 -0.23 -1.33 116.55 126.98 1ijn n ASP 74 Ca -0.17 -2.82 -0.05 0.00 -1.51 0.00 0.00 54.79 50.24 1ijn n ASP 74 Cb 0.51 -1.60 0.14 0.00 2.34 0.00 0.00 41.12 42.52 1ijn n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1ijn h THR 75 N 4.72 1.33 -0.21 5.18 1.35 -1.87 -3.19 112.91 120.23 1ijn h THR 75 Ca 0.48 -1.71 0.02 0.00 -0.55 0.00 0.00 66.41 64.65 1ijn h THR 75 Cb 0.74 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 1ijn h THR 75 CO 1.72 0.52 0.06 0.50 -0.25 0.00 0.00 175.52 178.07 1ijn h LYS 76 N 0.28 0.15 -0.33 4.72 3.64 -1.74 -1.41 116.57 121.88 1ijn h LYS 76 Ca 0.01 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1ijn h LYS 76 Cb 0.96 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1ijn h LYS 76 CO 0.08 0.10 0.02 0.77 -2.27 0.00 0.00 179.45 178.15 1ijn h SER 77 N 0.15 0.46 0.27 4.20 0.02 -1.88 -1.88 113.55 114.90 1ijn h SER 77 Ca 0.09 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1ijn h SER 77 Cb 0.07 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1ijn h SER 77 CO -0.10 0.52 -0.13 0.22 -1.14 0.00 0.00 176.83 176.20 1ijn h TYR 78 N 0.48 -0.34 -0.61 3.45 3.20 -1.39 -2.03 116.97 119.73 1ijn h TYR 78 Ca 0.11 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1ijn h TYR 78 Cb 0.29 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1ijn h TYR 78 CO 0.01 -0.14 0.25 -1.49 -1.64 0.00 0.00 178.16 175.16 1ijn h TRP 79 N -0.47 0.93 -0.67 -3.82 4.06 -1.15 -2.80 115.95 112.03 1ijn h TRP 79 Ca -0.04 -0.07 0.04 0.00 2.06 0.00 0.00 58.89 60.89 1ijn h TRP 79 Cb 0.36 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 1ijn h TRP 79 CO -0.03 0.74 0.44 0.87 -3.56 0.00 0.00 178.44 176.90 1ijn h LYS 80 N 0.86 0.75 0.00 0.49 1.57 -1.23 -0.35 116.57 118.65 1ijn h LYS 80 Ca 0.21 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ijn h LYS 80 Cb 0.19 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ijn h LYS 80 CO -0.02 0.49 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 1ijn h ALA 81 N 1.62 1.00 -0.28 3.86 0.00 -1.09 -1.66 119.26 122.70 1ijn h ALA 81 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ijn h ALA 81 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ijn h ALA 81 CO -0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1ijn n LEU 82 N -2.81 2.93 -0.30 0.00 4.77 -0.25 -4.95 117.00 116.39 1ijn n LEU 82 Ca 0.01 -1.22 -0.04 0.00 -0.03 0.00 0.00 56.01 54.74 1ijn n LEU 82 Cb 0.30 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1ijn n LEU 82 CO 0.25 0.61 -0.04 0.61 -1.33 0.00 0.00 177.39 177.50 1ijn n GLY 83 N 1.39 0.56 3.34 -0.72 0.00 -0.62 -5.04 105.19 104.09 1ijn n GLY 83 Ca 0.18 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1ijn n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ijn s ILE 84 N -2.14 2.47 -0.39 -0.61 1.01 -0.56 -5.00 121.20 115.98 1ijn s ILE 84 Ca 0.00 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 1ijn s ILE 84 Cb 0.00 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.54 1ijn s ILE 84 CO 0.00 0.57 0.70 -0.55 0.00 0.00 0.00 174.94 175.66 1ijn s SER 85 N -0.23 6.44 0.47 3.58 0.15 -1.26 -2.97 113.70 119.88 1ijn s SER 85 Ca -0.01 0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.77 1ijn s SER 85 Cb -0.13 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1ijn s SER 85 CO 0.03 -0.71 0.65 -2.16 1.20 0.00 0.00 173.24 172.25 1ijn s PRO 86 N 2.92 2.72 -0.16 5.44 0.04 -1.26 -4.97 135.00 139.73 1ijn s PRO 86 Ca 0.27 -1.04 -0.26 0.00 0.04 0.00 0.00 61.00 60.00 1ijn s PRO 86 Cb -0.14 -2.65 -0.23 0.00 0.04 0.00 0.00 34.50 31.53 1ijn s PRO 86 CO 0.17 -0.45 0.57 0.35 0.04 0.00 0.00 177.00 177.69 1ijn h PHE 87 N 0.41 0.00 -3.78 0.56 3.57 -1.53 -3.48 116.94 112.69 1ijn h PHE 87 Ca -0.41 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.61 1ijn h PHE 87 Cb 1.29 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1ijn h PHE 87 CO 0.39 1.10 0.21 -1.01 -2.23 0.00 0.00 178.31 176.77 1ijn s HIS 88 N -2.24 3.51 0.25 0.41 3.76 -1.26 -4.97 115.29 114.75 1ijn s HIS 88 Ca -0.21 1.48 0.03 0.00 -0.15 0.00 0.00 55.06 56.20 1ijn s HIS 88 Cb -0.00 -2.71 0.30 0.00 1.11 0.00 0.00 32.58 31.27 1ijn s HIS 88 CO 0.64 0.15 1.61 0.93 -0.85 0.00 0.00 174.74 177.22 1ijn h GLU 89 N 2.74 0.36 -2.15 1.40 4.39 -1.98 -3.37 114.58 115.97 1ijn h GLU 89 Ca -0.48 -0.20 0.26 0.00 0.34 0.00 0.00 59.36 59.28 1ijn h GLU 89 Cb 1.18 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.78 1ijn h GLU 89 CO 0.64 0.77 0.72 -3.38 -1.16 0.00 0.00 179.01 176.60 1ijn s HIS 90 N -4.05 0.01 -0.16 4.33 -3.43 -1.26 -4.02 115.29 106.70 1ijn s HIS 90 Ca -0.05 -0.25 -0.01 0.00 -0.80 0.00 0.00 55.06 53.95 1ijn s HIS 90 Cb 0.12 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.88 1ijn s HIS 90 CO 0.80 -0.57 -0.11 0.00 -2.00 0.00 0.00 174.74 172.85 1ijn s ALA 91 N -2.31 2.63 -0.17 -1.38 0.00 -0.44 -4.89 121.76 115.20 1ijn s ALA 91 Ca 0.21 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 1ijn s ALA 91 Cb -0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 1ijn s ALA 91 CO 0.01 -0.04 -0.11 -1.21 0.00 0.00 0.00 175.76 174.41 1ijn s GLU 92 N 0.83 3.32 -0.22 0.00 2.02 -1.26 -0.42 118.70 122.96 1ijn s GLU 92 Ca -0.04 -0.69 -0.03 0.00 0.02 0.00 0.00 54.97 54.23 1ijn s GLU 92 Cb -0.15 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.34 1ijn s GLU 92 CO 0.01 0.01 -0.07 0.08 0.02 0.00 0.00 175.26 175.31 1ijn s VAL 93 N 0.88 3.12 -0.12 2.63 1.01 0.59 -4.95 120.40 123.56 1ijn s VAL 93 Ca -0.03 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1ijn s VAL 93 Cb -0.15 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1ijn s VAL 93 CO -0.00 0.40 -0.19 -0.69 0.00 0.00 0.00 175.10 174.62 1ijn s VAL 94 N 1.43 1.82 0.18 2.92 1.01 -1.26 -0.19 120.40 126.31 1ijn s VAL 94 Ca 0.05 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1ijn s VAL 94 Cb -0.14 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1ijn s VAL 94 CO -0.05 0.50 0.45 0.72 0.00 0.00 0.00 175.10 176.72 1ijn s PHE 95 N 0.80 0.03 -0.20 5.22 -0.71 -0.72 -5.00 117.98 117.40 1ijn s PHE 95 Ca -0.09 -0.38 -0.09 0.00 -1.04 0.00 0.00 56.93 55.33 1ijn s PHE 95 Cb -0.16 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 1ijn s PHE 95 CO 0.00 -0.85 0.11 0.99 -1.34 0.00 0.00 175.22 174.13 1ijn s THR 96 N -3.90 5.19 -0.12 -4.49 2.01 -1.26 -1.08 115.64 111.99 1ijn s THR 96 Ca 0.11 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 62.00 1ijn s THR 96 Cb 0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1ijn s THR 96 CO -0.02 0.44 0.67 0.00 -0.69 0.00 0.00 174.62 175.01 1ijn s ALA 97 N 0.44 3.43 -0.10 7.40 0.00 0.67 -4.96 121.76 128.63 1ijn s ALA 97 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ijn s ALA 97 Cb -0.12 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.07 1ijn s ALA 97 CO -0.01 -0.28 -0.07 1.21 0.00 0.00 0.00 175.76 176.61 1ijn s ASN 98 N 0.93 2.04 0.16 0.00 2.47 -1.26 -2.65 114.94 116.62 1ijn s ASN 98 Ca 0.34 -0.27 -0.30 0.00 0.42 0.00 0.00 52.86 53.04 1ijn s ASN 98 Cb -0.17 -0.78 -0.08 0.00 -1.45 0.00 0.00 41.25 38.77 1ijn s ASN 98 CO 0.14 -0.11 1.32 -1.81 -3.72 0.00 0.00 177.10 172.92 1ijn s ASP 99 N 1.61 6.90 -0.20 -4.21 1.01 -1.26 -4.81 116.67 115.71 1ijn s ASP 99 Ca 0.03 2.33 0.02 0.00 0.71 0.00 0.00 52.55 55.64 1ijn s ASP 99 Cb -0.13 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.28 1ijn s ASP 99 CO -0.06 -0.55 0.91 -1.20 0.21 0.00 0.00 175.17 174.47 1ijn n SER 100 N 3.15 -0.78 0.00 0.27 7.64 -1.26 -5.13 113.62 117.51 1ijn n SER 100 Ca 0.08 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.47 1ijn n SER 100 Cb 0.43 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1ijn n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ijn n GLY 101 N -0.43 2.98 3.75 0.23 0.00 -1.26 -5.06 105.19 105.41 1ijn n GLY 101 Ca -0.16 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1ijn n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ijn s PRO 102 N -2.59 4.16 -0.04 1.61 0.02 -1.26 -5.00 135.00 131.90 1ijn s PRO 102 Ca 0.00 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.39 1ijn s PRO 102 Cb 0.00 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.50 1ijn s PRO 102 CO 0.00 -0.56 0.29 1.03 -0.33 0.00 0.00 177.00 177.43 1ijn s ARG 103 N -0.65 0.56 -0.08 5.54 0.52 -1.26 -4.21 118.95 119.37 1ijn s ARG 103 Ca 0.61 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.78 1ijn s ARG 103 Cb -0.46 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.28 1ijn s ARG 103 CO 0.48 -0.14 -0.09 1.03 0.02 0.00 0.00 175.30 176.61 1ijn s ARG 104 N -0.93 1.41 -0.21 3.54 0.52 0.29 -4.79 118.95 118.78 1ijn s ARG 104 Ca -0.10 -0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 54.75 1ijn s ARG 104 Cb -0.05 -1.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 1ijn s ARG 104 CO 0.03 -0.11 0.10 0.71 0.02 0.00 0.00 175.30 176.05 1ijn s TYR 105 N 1.12 3.25 -0.19 -0.53 1.51 0.39 -1.83 117.35 121.06 1ijn s TYR 105 Ca -0.07 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1ijn s TYR 105 Cb -0.14 -2.17 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 1ijn s TYR 105 CO -0.01 0.05 -0.13 0.99 -1.11 0.00 0.00 175.55 175.34 1ijn s THR 106 N 0.79 2.72 -0.42 -0.71 2.01 -0.24 -1.13 115.64 118.66 1ijn s THR 106 Ca 0.05 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 1ijn s THR 106 Cb -0.13 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.23 1ijn s THR 106 CO 0.02 0.49 0.31 -0.63 -0.69 0.00 0.00 174.62 174.12 1ijn s ILE 107 N 1.21 5.13 -0.11 1.82 -1.09 0.08 -0.95 121.20 127.30 1ijn s ILE 107 Ca 0.02 -0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 57.55 1ijn s ILE 107 Cb -0.14 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1ijn s ILE 107 CO -0.06 -0.38 0.16 0.00 -1.23 0.00 0.00 174.94 173.43 1ijn s ALA 108 N 1.65 3.87 -0.00 9.38 0.00 -0.61 -1.20 121.76 134.85 1ijn s ALA 108 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1ijn s ALA 108 Cb -0.21 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 1ijn s ALA 108 CO 0.08 0.61 -0.04 0.00 0.00 0.00 0.00 175.76 176.41 1ijn s ALA 109 N -1.03 0.35 -0.19 0.00 0.00 0.06 -1.60 121.76 119.35 1ijn s ALA 109 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1ijn s ALA 109 Cb -0.12 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1ijn s ALA 109 CO 0.05 0.07 -0.17 -1.17 0.00 0.00 0.00 175.76 174.54 1ijn s LEU 110 N -0.21 2.31 -0.11 0.00 2.96 0.11 -1.13 118.68 122.60 1ijn s LEU 110 Ca 0.01 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1ijn s LEU 110 Cb -0.02 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1ijn s LEU 110 CO -0.00 -0.01 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.24 1ijn s LEU 111 N 1.31 3.41 0.14 -0.68 1.43 -0.07 -1.58 118.68 122.64 1ijn s LEU 111 Ca 0.04 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 1ijn s LEU 111 Cb -0.13 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1ijn s LEU 111 CO -0.11 0.29 -0.10 -0.44 0.23 0.00 0.00 176.35 176.21 1ijn s SER 112 N -0.36 1.78 0.36 2.29 0.01 0.03 -0.87 113.70 116.93 1ijn s SER 112 Ca 0.07 -0.98 0.11 0.00 1.31 0.00 0.00 55.95 56.46 1ijn s SER 112 Cb -0.12 -0.01 0.89 0.00 0.21 0.00 0.00 66.02 66.98 1ijn s SER 112 CO 0.02 -0.31 1.83 -0.65 0.41 0.00 0.00 173.24 174.54 1ijn h PRO 113 N 2.90 0.59 -0.02 12.44 0.11 -1.99 -2.89 132.00 143.14 1ijn h PRO 113 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ijn h PRO 113 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ijn h PRO 113 CO 0.62 0.39 0.00 0.00 -0.21 0.00 0.00 178.00 178.80 1ijn s SER 115 N -2.62 -0.61 0.04 0.00 0.15 -1.09 -4.96 113.70 104.61 1ijn s SER 115 Ca 0.30 0.57 -0.13 0.00 0.70 0.00 0.00 55.95 57.38 1ijn s SER 115 Cb 0.26 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 65.11 1ijn s SER 115 CO 0.03 -0.64 0.29 -0.72 1.20 0.00 0.00 173.24 173.41 1ijn s TYR 116 N -1.60 -0.09 0.08 3.44 -0.85 -1.26 -0.79 117.35 116.28 1ijn s TYR 116 Ca -0.08 -0.04 0.06 0.00 -0.52 0.00 0.00 57.07 56.49 1ijn s TYR 116 Cb -0.00 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 1ijn s TYR 116 CO 0.05 -0.49 -0.15 -1.54 -1.52 0.00 0.00 175.55 171.91 1ijn s SER 117 N -2.01 1.81 -0.02 -0.18 1.04 -0.61 -4.98 113.70 108.75 1ijn s SER 117 Ca -0.06 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 1ijn s SER 117 Cb -0.01 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1ijn s SER 117 CO -0.03 -0.08 0.07 0.28 0.98 0.00 0.00 173.24 174.46 1ijn s THR 118 N -1.47 0.02 0.04 2.02 -1.32 -1.26 -0.72 115.64 112.95 1ijn s THR 118 Ca 0.01 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.34 1ijn s THR 118 Cb -0.09 -0.17 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1ijn s THR 118 CO 0.03 -0.10 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.37 1ijn s THR 119 N -0.27 0.53 -0.22 5.08 2.01 -0.63 -5.00 115.64 117.14 1ijn s THR 119 Ca -0.03 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 60.83 1ijn s THR 119 Cb -0.02 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1ijn s THR 119 CO 0.00 -0.37 0.11 0.00 -0.69 0.00 0.00 174.62 173.68 1ijn s ALA 120 N -1.34 3.49 -0.33 7.40 0.00 -1.26 -1.57 121.76 128.15 1ijn s ALA 120 Ca -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1ijn s ALA 120 Cb -0.10 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 20.95 1ijn s ALA 120 CO 0.00 -0.06 0.05 0.08 0.00 0.00 0.00 175.76 175.84 1ijn s VAL 121 N 0.80 3.08 -0.25 0.00 1.01 -0.12 -4.98 120.40 119.94 1ijn s VAL 121 Ca 0.06 -1.55 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 1ijn s VAL 121 Cb -0.13 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1ijn s VAL 121 CO 0.02 -0.26 -0.03 -0.69 0.00 0.00 0.00 175.10 174.14 1ijn s VAL 122 N 1.22 3.15 0.21 2.92 1.01 -1.26 -1.07 120.40 126.57 1ijn s VAL 122 Ca -0.01 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1ijn s VAL 122 Cb -0.20 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1ijn s VAL 122 CO -0.02 0.21 -0.15 0.42 0.00 0.00 0.00 175.10 175.56 1ijn s THR 123 N 1.38 1.80 -2.73 3.92 -4.23 -0.76 -4.92 115.64 110.11 1ijn s THR 123 Ca 0.01 -2.21 0.26 0.00 -1.18 0.00 0.00 61.69 58.57 1ijn s THR 123 Cb -0.16 -2.05 0.39 0.00 1.34 0.00 0.00 72.50 72.01 1ijn s THR 123 CO -0.03 -0.57 1.52 -3.20 -0.54 0.00 0.00 174.62 171.81