#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijn h PRO 11 N 0.00 0.79 -3.95 0.00 0.11 -1.89 -3.40 132.00 123.65 1ijn h PRO 11 Ca 0.00 -0.14 -0.49 0.00 0.11 0.00 0.00 66.00 65.48 1ijn h PRO 11 Cb 0.00 -0.13 -0.38 0.00 0.11 0.00 0.00 31.00 30.60 1ijn h PRO 11 CO 0.00 0.69 -0.78 -1.17 -0.21 0.00 0.00 178.00 176.52 1ijn s LEU 12 N -9.37 0.93 0.06 2.35 2.96 -1.26 0.25 118.68 114.61 1ijn s LEU 12 Ca -0.09 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1ijn s LEU 12 Cb 0.16 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 46.17 1ijn s LEU 12 CO 0.79 -0.17 -0.15 -0.32 -1.32 0.00 0.00 176.35 175.19 1ijn s MET 13 N 1.83 0.89 -0.07 1.98 -2.45 -0.09 -4.52 119.30 116.88 1ijn s MET 13 Ca 0.05 -0.89 0.04 0.00 -1.25 0.00 0.00 55.69 53.64 1ijn s MET 13 Cb -0.13 -0.92 0.00 0.00 1.25 0.00 0.00 34.83 35.04 1ijn s MET 13 CO -0.07 0.21 -0.18 0.08 1.05 0.00 0.00 175.02 176.11 1ijn s VAL 14 N -1.08 1.58 -0.06 10.11 1.01 -1.13 -0.56 120.40 130.26 1ijn s VAL 14 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ijn s VAL 14 Cb -0.09 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1ijn s VAL 14 CO 0.02 0.45 -0.11 -0.75 0.00 0.00 0.00 175.10 174.71 1ijn s LYS 15 N 0.28 1.52 -0.06 2.72 2.20 -0.27 -0.97 119.74 125.16 1ijn s LYS 15 Ca -0.11 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1ijn s LYS 15 Cb -0.15 -1.29 0.02 0.00 -1.51 0.00 0.00 37.83 34.90 1ijn s LYS 15 CO 0.05 0.03 -0.08 0.08 -0.36 0.00 0.00 175.35 175.06 1ijn s VAL 16 N 0.63 0.85 0.16 4.02 1.01 -0.12 -0.55 120.40 126.40 1ijn s VAL 16 Ca -0.13 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1ijn s VAL 16 Cb -0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1ijn s VAL 16 CO 0.03 0.30 -0.07 -0.76 0.00 0.00 0.00 175.10 174.60 1ijn s LEU 17 N 0.90 3.09 -0.29 3.92 1.43 0.05 -0.93 118.68 126.85 1ijn s LEU 17 Ca -0.11 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1ijn s LEU 17 Cb -0.15 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1ijn s LEU 17 CO 0.01 0.11 0.08 -0.62 0.23 0.00 0.00 176.35 176.16 1ijn s ASP 18 N -2.74 5.12 0.09 2.29 -1.08 0.40 -0.90 116.67 119.85 1ijn s ASP 18 Ca 0.25 -0.69 0.26 0.00 -0.52 0.00 0.00 52.55 51.85 1ijn s ASP 18 Cb -0.09 -1.88 1.01 0.00 -1.46 0.00 0.00 42.92 40.50 1ijn s ASP 18 CO 0.16 -0.18 1.82 0.00 0.52 0.00 0.00 175.17 177.49 1ijn n ALA 19 N 4.87 2.22 0.01 3.66 0.00 -0.11 -1.50 120.51 129.66 1ijn n ALA 19 Ca -0.15 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 1ijn n ALA 19 Cb 0.48 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 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 0.92 0.00 0.00 2.07 -1.95 -3.39 116.25 113.90 1ijn h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1ijn h VAL 20 Cb 0.56 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1ijn h VAL 20 CO 0.00 0.75 -0.86 0.03 0.02 0.00 0.00 177.57 177.51 1ijn h ARG 21 N -0.19 0.00 -4.86 1.57 3.08 -1.94 -3.48 114.38 108.55 1ijn h ARG 21 Ca -0.34 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.44 1ijn h ARG 21 Cb 1.85 0.00 0.13 0.00 0.08 0.00 0.00 29.97 32.04 1ijn h ARG 21 CO 0.07 0.00 -0.60 0.41 -1.07 0.00 0.00 179.97 178.78 1ijn n GLY 22 N 1.25 -0.19 3.56 0.04 0.00 -0.56 -5.02 105.19 104.27 1ijn n GLY 22 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.99 -0.11 0.65 1.61 1.04 -1.14 -5.02 113.70 106.74 1ijn s SER 23 Ca 0.05 -0.83 -0.18 0.00 0.48 0.00 0.00 55.95 55.47 1ijn s SER 23 Cb -0.02 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1ijn s SER 23 CO 0.57 -1.11 1.26 -2.84 0.98 0.00 0.00 173.24 172.10 1ijn s PRO 24 N -3.98 2.56 -0.46 4.02 0.02 -1.26 -0.45 135.00 135.45 1ijn s PRO 24 Ca 0.19 1.95 -0.21 0.00 0.02 0.00 0.00 61.00 62.95 1ijn s PRO 24 Cb -0.01 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.68 1ijn s PRO 24 CO 0.06 -1.56 0.68 0.00 -0.33 0.00 0.00 177.00 175.85 1ijn s ALA 25 N -1.56 3.33 0.08 -1.55 0.00 -0.10 -4.52 121.76 117.44 1ijn s ALA 25 Ca 0.80 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1ijn s ALA 25 Cb -0.34 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 1ijn s ALA 25 CO 0.39 -1.89 0.34 0.42 0.00 0.00 0.00 175.76 175.02 1ijn s ILE 26 N 2.92 5.21 -1.20 0.00 1.01 -1.26 -4.32 121.20 123.56 1ijn s ILE 26 Ca 0.22 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1ijn s ILE 26 Cb -0.15 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1ijn s ILE 26 CO 0.18 0.22 0.00 0.59 0.00 0.00 0.00 174.94 175.93 1ijn n ASN 27 N 0.65 -4.29 -4.67 3.58 3.02 -0.47 -4.95 115.26 108.13 1ijn n ASN 27 Ca -0.07 -0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.06 1ijn n ASN 27 Cb 0.52 -3.45 -0.03 0.00 -0.61 0.00 0.00 39.78 36.21 1ijn n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ijn s VAL 28 N -2.69 4.83 0.23 2.41 1.01 -1.26 -4.73 120.40 120.19 1ijn s VAL 28 Ca 0.00 1.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 1ijn s VAL 28 Cb 0.00 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 1ijn s VAL 28 CO 0.00 -0.01 1.06 0.00 0.00 0.00 0.00 175.10 176.15 1ijn s ALA 29 N 2.31 3.38 -0.04 5.51 0.00 -1.26 -1.06 121.76 130.60 1ijn s ALA 29 Ca 0.41 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1ijn s ALA 29 Cb -0.17 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1ijn s ALA 29 CO 0.12 -0.09 -0.05 0.08 0.00 0.00 0.00 175.76 175.82 1ijn s VAL 30 N -0.82 0.58 -0.07 0.00 1.01 0.15 -0.93 120.40 120.31 1ijn s VAL 30 Ca 0.45 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.32 1ijn s VAL 30 Cb -0.30 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1ijn s VAL 30 CO 0.37 0.23 -0.24 -1.00 0.00 0.00 0.00 175.10 174.46 1ijn s HIS 31 N 0.81 2.43 -0.08 5.22 3.76 -0.34 -1.33 115.29 125.77 1ijn s HIS 31 Ca -0.11 -0.82 0.02 0.00 -0.15 0.00 0.00 55.06 53.99 1ijn s HIS 31 Cb -0.14 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 1ijn s HIS 31 CO 0.01 -0.28 -0.11 0.08 -0.85 0.00 0.00 174.74 173.59 1ijn s VAL 32 N 0.02 3.35 0.12 -0.90 1.01 0.17 -0.51 120.40 123.66 1ijn s VAL 32 Ca -0.09 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1ijn s VAL 32 Cb -0.15 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1ijn s VAL 32 CO 0.05 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.21 1ijn s PHE 33 N -0.51 1.48 -0.04 5.22 0.40 0.25 -0.57 117.98 124.22 1ijn s PHE 33 Ca 0.07 -0.51 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 1ijn s PHE 33 Cb -0.12 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 1ijn s PHE 33 CO 0.02 0.17 -0.20 0.50 0.70 0.00 0.00 175.22 176.40 1ijn s ARG 34 N -2.45 2.01 0.04 0.44 3.52 0.06 -0.39 118.95 122.18 1ijn s ARG 34 Ca 0.08 -0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 54.65 1ijn s ARG 34 Cb -0.06 -1.76 -0.06 0.00 -1.56 0.00 0.00 34.95 31.51 1ijn s ARG 34 CO 0.04 0.32 1.31 0.21 -0.81 0.00 0.00 175.30 176.37 1ijn s LYS 35 N -0.12 4.35 0.73 5.12 2.20 -0.18 -0.74 119.74 131.11 1ijn s LYS 35 Ca -0.02 1.89 -0.07 0.00 -0.36 0.00 0.00 55.97 57.42 1ijn s LYS 35 Cb -0.12 -3.41 0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1ijn s LYS 35 CO 0.02 -0.42 1.04 0.00 -0.36 0.00 0.00 175.35 175.64 1ijn s ALA 36 N 1.60 3.14 0.54 3.13 0.00 -0.31 -4.70 121.76 125.16 1ijn s ALA 36 Ca 0.61 -1.10 0.22 0.00 0.00 0.00 0.00 51.96 51.70 1ijn s ALA 36 Cb -0.31 -2.52 1.40 0.00 0.00 0.00 0.00 23.12 21.69 1ijn s ALA 36 CO 0.28 -1.45 2.09 0.00 0.00 0.00 0.00 175.76 176.67 1ijn h ALA 37 N -0.70 2.14 -0.46 0.00 0.00 -1.95 -0.44 119.26 117.85 1ijn h ALA 37 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ijn h ALA 37 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ijn h ALA 37 CO 0.54 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 1ijn n ASP 38 N -4.34 3.07 -0.45 0.00 5.68 -1.26 -4.95 116.55 114.30 1ijn n ASP 38 Ca 0.03 -2.18 -0.06 0.00 -0.50 0.00 0.00 54.79 52.08 1ijn n ASP 38 Cb 0.32 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 39.86 1ijn n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ijn n ASP 39 N 0.79 -3.75 -4.80 -1.12 9.92 -0.17 -5.05 116.55 112.37 1ijn n ASP 39 Ca 0.17 0.15 -0.22 0.00 -0.53 0.00 0.00 54.79 54.36 1ijn n ASP 39 Cb 0.55 -1.77 -0.05 0.00 -0.64 0.00 0.00 41.12 39.21 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 -2.21 3.58 -0.45 -3.53 -4.23 -1.26 -4.87 115.64 102.68 1ijn s THR 40 Ca 0.00 -1.49 -0.24 0.00 -1.18 0.00 0.00 61.69 58.78 1ijn s THR 40 Cb 0.00 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.71 1ijn s THR 40 CO 0.00 -0.22 0.85 0.26 -0.54 0.00 0.00 174.62 174.97 1ijn s TRP 41 N -2.30 2.97 -0.14 3.99 0.52 -1.26 -1.16 118.94 121.56 1ijn s TRP 41 Ca 0.38 0.31 -0.16 0.00 0.02 0.00 0.00 56.10 56.65 1ijn s TRP 41 Cb -0.05 -3.78 -0.04 0.00 -1.15 0.00 0.00 33.47 28.44 1ijn s TRP 41 CO 0.25 -1.02 0.39 -2.00 0.02 0.00 0.00 176.95 174.59 1ijn s GLU 42 N 3.49 4.29 0.25 4.98 2.12 0.09 -4.87 118.70 129.04 1ijn s GLU 42 Ca 0.33 0.28 -0.31 0.00 0.36 0.00 0.00 54.97 55.63 1ijn s GLU 42 Cb -0.11 -3.43 -0.13 0.00 0.26 0.00 0.00 34.13 30.72 1ijn s GLU 42 CO 0.24 0.21 1.51 -2.30 -0.54 0.00 0.00 175.26 174.38 1ijn n PRO 43 N 3.59 2.33 -0.03 4.30 -0.02 -1.26 -0.76 135.00 143.15 1ijn n PRO 43 Ca -0.09 0.83 -0.07 0.00 -2.02 0.00 0.00 63.50 62.15 1ijn n PRO 43 Cb 0.52 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 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 2.30 0.00 -3.65 6.00 7.35 0.27 -4.79 117.46 124.94 1ijn n PHE 44 Ca 0.11 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.73 1ijn n PHE 44 Cb 0.33 -0.24 -0.02 0.00 0.35 0.00 0.00 39.48 39.91 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 -2.13 -1.57 0.14 3.13 0.00 -0.99 -5.01 121.76 115.34 1ijn s ALA 45 Ca -0.09 0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 1ijn s ALA 45 Cb 0.04 0.70 0.06 0.00 0.00 0.00 0.00 23.12 23.92 1ijn s ALA 45 CO 0.12 -0.90 0.55 -1.54 0.00 0.00 0.00 175.76 173.98 1ijn s SER 46 N -2.79 -0.48 0.01 0.00 1.04 -1.26 0.43 113.70 110.65 1ijn s SER 46 Ca 0.08 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 1ijn s SER 46 Cb -0.02 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1ijn s SER 46 CO -0.02 -0.92 0.18 0.61 0.98 0.00 0.00 173.24 174.07 1ijn n GLY 47 N -0.26 0.82 3.05 7.32 0.00 -0.44 -4.97 105.19 110.70 1ijn n GLY 47 Ca -0.17 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1ijn n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ijn s LYS 48 N -2.00 0.51 0.47 1.61 -2.85 -1.26 -0.68 119.74 115.54 1ijn s LYS 48 Ca 0.04 -0.70 -0.22 0.00 -1.00 0.00 0.00 55.97 54.09 1ijn s LYS 48 Cb -0.00 -0.28 -0.07 0.00 -2.06 0.00 0.00 37.83 35.42 1ijn s LYS 48 CO 0.00 0.05 1.17 0.95 0.10 0.00 0.00 175.35 177.62 1ijn s THR 49 N -1.27 3.08 0.26 3.79 -4.23 -0.22 -4.76 115.64 112.28 1ijn s THR 49 Ca -0.09 0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 1ijn s THR 49 Cb -0.09 -3.39 0.06 0.00 1.34 0.00 0.00 72.50 70.41 1ijn s THR 49 CO 0.00 -0.03 0.32 -1.54 -0.54 0.00 0.00 174.62 172.83 1ijn n SER 50 N -0.60 -0.28 0.17 3.99 3.41 -0.03 -1.37 113.62 118.90 1ijn n SER 50 Ca 0.08 -1.01 0.13 0.00 -0.26 0.00 0.00 58.87 57.81 1ijn n SER 50 Cb 0.48 -0.25 0.57 0.00 -0.26 0.00 0.00 64.21 64.75 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 -0.23 4.33 4.39 -1.93 -1.31 114.58 119.82 1ijn h GLU 51 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1ijn h GLU 51 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1ijn h GLU 51 CO 0.07 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.79 1ijn n SER 52 N -2.40 2.66 -0.12 1.42 3.41 -1.26 -4.79 113.62 112.54 1ijn n SER 52 Ca 0.01 -1.87 -0.02 0.00 -0.26 0.00 0.00 58.87 56.74 1ijn n SER 52 Cb 0.20 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.34 0.50 3.74 5.00 0.00 -0.49 -4.80 105.19 110.47 1ijn n GLY 53 Ca 0.17 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.07 2.75 -0.29 1.61 2.02 -1.26 -0.95 118.70 121.51 1ijn s GLU 54 Ca 0.00 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 1ijn s GLU 54 Cb 0.00 -2.63 0.09 0.00 0.10 0.00 0.00 34.13 31.69 1ijn s GLU 54 CO 0.00 0.54 0.08 -1.17 0.02 0.00 0.00 175.26 174.73 1ijn s LEU 55 N -2.51 2.13 0.00 1.80 2.96 -0.14 -0.86 118.68 122.06 1ijn s LEU 55 Ca 0.28 -1.51 0.07 0.00 -0.22 0.00 0.00 54.13 52.75 1ijn s LEU 55 Cb -0.11 -0.85 0.07 0.00 0.50 0.00 0.00 46.19 45.79 1ijn s LEU 55 CO 0.21 -0.39 0.56 1.41 -1.32 0.00 0.00 176.35 176.82 1ijn n HIS 56 N 4.86 -1.62 -1.49 5.38 8.25 -1.26 -2.82 115.22 126.51 1ijn n HIS 56 Ca -0.03 -1.97 -0.14 0.00 -0.26 0.00 0.00 57.72 55.31 1ijn n HIS 56 Cb 0.43 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 1ijn n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ijn n GLY 57 N -1.14 1.26 0.21 -1.41 0.00 -1.26 -4.91 105.19 97.94 1ijn n GLY 57 Ca 0.07 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 0.71 0.00 0.99 3.38 -1.85 -3.48 115.31 115.05 1ijn h LEU 58 Ca -0.29 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 1ijn h LEU 58 Cb 0.93 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1ijn h LEU 58 CO 0.41 1.17 0.28 1.07 0.09 0.00 0.00 178.44 181.47 1ijn n THR 59 N -3.93 0.00 -4.49 0.22 5.66 -1.26 -4.79 114.28 105.68 1ijn n THR 59 Ca -0.05 -0.89 -0.24 0.00 -3.05 0.00 0.00 64.05 59.82 1ijn n THR 59 Cb 0.67 0.91 -0.10 0.00 -1.55 0.00 0.00 70.33 70.25 1ijn n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ijn s THR 60 N -2.15 2.00 0.22 1.09 -4.23 -1.26 -4.68 115.64 106.63 1ijn s THR 60 Ca 0.15 -2.18 -0.08 0.00 -1.18 0.00 0.00 61.69 58.40 1ijn s THR 60 Cb -0.04 -2.55 0.18 0.00 1.34 0.00 0.00 72.50 71.43 1ijn s THR 60 CO 0.11 -0.25 1.86 -0.08 -0.54 0.00 0.00 174.62 175.72 1ijn h GLU 61 N 2.14 0.95 -0.51 3.99 4.81 -2.00 -1.06 114.58 122.90 1ijn h GLU 61 Ca -0.41 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1ijn h GLU 61 Cb 1.24 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1ijn h GLU 61 CO 0.69 0.63 0.29 0.93 -0.73 0.00 0.00 179.01 180.81 1ijn h GLU 62 N 0.98 0.71 0.00 1.92 5.08 -2.03 -3.12 114.58 118.12 1ijn h GLU 62 Ca 0.32 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1ijn h GLU 62 Cb 0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1ijn h GLU 62 CO -0.12 0.55 -0.46 0.93 -1.00 0.00 0.00 179.01 178.91 1ijn h GLU 63 N 0.68 0.00 -4.30 2.33 5.08 -1.92 -3.38 114.58 113.08 1ijn h GLU 63 Ca 0.18 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.82 1ijn h GLU 63 Cb 0.04 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.19 1ijn h GLU 63 CO -0.03 0.46 2.43 0.34 -1.00 0.00 0.00 179.01 181.21 1ijn n PHE 64 N -3.22 3.75 -2.19 4.33 7.35 -0.42 -4.96 117.46 122.10 1ijn n PHE 64 Ca 0.02 -2.95 -0.27 0.00 -0.76 0.00 0.00 57.45 53.49 1ijn n PHE 64 Cb 0.71 -2.36 0.14 0.00 0.35 0.00 0.00 39.48 38.33 1ijn n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1ijn s VAL 65 N 2.39 2.08 0.43 -2.13 -7.23 -1.26 -4.92 120.40 109.77 1ijn s VAL 65 Ca 0.46 -0.24 -0.24 0.00 -1.81 0.00 0.00 61.98 60.15 1ijn s VAL 65 Cb 0.09 -2.84 -0.10 0.00 0.56 0.00 0.00 36.38 34.08 1ijn s VAL 65 CO -0.02 0.00 1.03 -0.62 -0.31 0.00 0.00 175.10 175.18 1ijn n GLU 66 N -3.32 1.37 0.00 4.82 1.02 -1.26 -4.81 120.64 118.45 1ijn n GLU 66 Ca 0.14 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1ijn n GLU 66 Cb 0.60 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 1.16 -0.75 3.62 0.62 0.00 -1.12 -5.01 105.19 103.72 1ijn n GLY 67 Ca 0.09 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.00 5.24 0.11 -0.61 1.01 -1.26 -1.20 121.20 122.49 1ijn s ILE 68 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.87 1ijn s ILE 68 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1ijn s ILE 68 CO 0.00 0.33 -0.16 -0.31 0.00 0.00 0.00 174.94 174.80 1ijn s TYR 69 N 1.24 2.60 -0.14 3.97 1.51 0.59 -1.01 117.35 126.12 1ijn s TYR 69 Ca 0.07 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1ijn s TYR 69 Cb -0.14 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1ijn s TYR 69 CO 0.06 0.40 -0.15 0.21 -1.11 0.00 0.00 175.55 174.96 1ijn s LYS 70 N -2.14 2.33 -0.35 -0.62 2.20 0.48 -1.07 119.74 120.57 1ijn s LYS 70 Ca 0.19 -0.58 -0.10 0.00 -0.36 0.00 0.00 55.97 55.13 1ijn s LYS 70 Cb -0.11 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.13 1ijn s LYS 70 CO 0.11 -0.20 0.17 0.08 -0.36 0.00 0.00 175.35 175.14 1ijn s VAL 71 N 1.38 4.41 -0.27 4.02 1.01 0.49 -0.58 120.40 130.86 1ijn s VAL 71 Ca 0.03 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1ijn s VAL 71 Cb -0.13 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1ijn s VAL 71 CO -0.09 -0.12 0.13 -1.61 0.00 0.00 0.00 175.10 173.41 1ijn s GLU 72 N 1.54 3.71 -0.28 2.72 2.02 0.33 -0.45 118.70 128.30 1ijn s GLU 72 Ca 0.02 -0.46 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 1ijn s GLU 72 Cb -0.18 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 1ijn s GLU 72 CO 0.06 -0.23 0.14 0.42 0.02 0.00 0.00 175.26 175.67 1ijn s ILE 73 N 1.67 4.73 -1.37 -1.63 1.01 0.94 -1.20 121.20 125.36 1ijn s ILE 73 Ca 0.06 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.41 1ijn s ILE 73 Cb -0.16 -3.30 0.08 0.00 0.01 0.00 0.00 42.46 39.09 1ijn s ILE 73 CO 0.07 0.21 1.97 0.47 0.00 0.00 0.00 174.94 177.66 1ijn n ASP 74 N 4.99 4.46 -0.04 3.58 8.00 -0.11 -0.85 116.55 136.58 1ijn n ASP 74 Ca -0.15 -2.91 -0.05 0.00 0.71 0.00 0.00 54.79 52.39 1ijn n ASP 74 Cb 0.51 -1.66 0.15 0.00 -0.02 0.00 0.00 41.12 40.10 1ijn n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1ijn h THR 75 N 4.51 1.26 0.14 -3.53 1.35 -1.87 -2.35 112.91 112.43 1ijn h THR 75 Ca 0.49 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1ijn h THR 75 Cb 0.73 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1ijn h THR 75 CO 1.67 0.41 -0.07 0.50 -0.25 0.00 0.00 175.52 177.79 1ijn h LYS 76 N 0.57 -0.18 -0.23 4.72 3.64 -1.64 0.36 116.57 123.80 1ijn h LYS 76 Ca 0.09 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1ijn h LYS 76 Cb 0.66 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1ijn h LYS 76 CO 0.05 -0.11 0.16 0.77 -2.27 0.00 0.00 179.45 178.04 1ijn h SER 77 N -0.19 0.19 0.24 4.20 0.02 -1.80 0.56 113.55 116.76 1ijn h SER 77 Ca -0.02 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1ijn h SER 77 Cb 0.15 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ijn h SER 77 CO 0.03 0.13 -0.11 0.22 -1.14 0.00 0.00 176.83 175.96 1ijn h TYR 78 N 0.22 -0.29 -0.53 3.45 3.20 -0.83 -1.42 116.97 120.77 1ijn h TYR 78 Ca 0.10 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1ijn h TYR 78 Cb 0.11 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1ijn h TYR 78 CO -0.00 0.08 0.07 -1.49 -1.64 0.00 0.00 178.16 175.18 1ijn h TRP 79 N -0.76 0.88 -0.80 -3.82 4.06 -0.79 -2.88 115.95 111.84 1ijn h TRP 79 Ca -0.03 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 60.77 1ijn h TRP 79 Cb 0.50 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.38 1ijn h TRP 79 CO 0.05 0.77 0.35 0.87 -3.56 0.00 0.00 178.44 176.92 1ijn h LYS 80 N 0.80 1.18 0.00 0.49 1.57 -0.89 0.76 116.57 120.48 1ijn h LYS 80 Ca 0.17 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ijn h LYS 80 Cb 0.38 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ijn h LYS 80 CO 0.01 0.94 -0.10 0.00 -0.57 0.00 0.00 179.45 179.73 1ijn h ALA 81 N 1.18 1.17 -0.07 3.86 0.00 -1.05 -0.63 119.26 123.72 1ijn h ALA 81 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ijn h ALA 81 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ijn h ALA 81 CO -0.03 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1ijn n LEU 82 N -3.45 1.97 -0.32 0.00 4.77 -0.72 -4.94 117.00 114.31 1ijn n LEU 82 Ca -0.01 -0.70 -0.04 0.00 -0.03 0.00 0.00 56.01 55.22 1ijn n LEU 82 Cb 0.25 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1ijn n LEU 82 CO 0.29 0.35 -0.04 0.61 -1.33 0.00 0.00 177.39 177.27 1ijn n GLY 83 N 1.23 0.66 3.84 -0.72 0.00 -0.24 -5.04 105.19 104.91 1ijn n GLY 83 Ca 0.17 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.15 4.88 -0.60 -0.61 -1.09 0.18 -4.99 121.20 116.82 1ijn s ILE 84 Ca 0.00 -0.62 -0.15 0.00 -2.23 0.00 0.00 60.65 57.65 1ijn s ILE 84 Cb 0.00 -3.37 0.15 0.00 -1.58 0.00 0.00 42.46 37.66 1ijn s ILE 84 CO 0.00 0.13 0.55 -0.44 -1.23 0.00 0.00 174.94 173.95 1ijn s SER 85 N -2.46 6.28 0.41 3.58 0.01 -1.26 -3.60 113.70 116.66 1ijn s SER 85 Ca 0.32 -2.01 0.01 0.00 1.31 0.00 0.00 55.95 55.58 1ijn s SER 85 Cb -0.12 -2.20 0.05 0.00 0.21 0.00 0.00 66.02 63.96 1ijn s SER 85 CO 0.24 -0.78 0.36 -0.81 0.41 0.00 0.00 173.24 172.66 1ijn n PRO 86 N 4.93 0.53 -0.09 12.44 -0.04 -1.26 -4.99 135.00 146.52 1ijn n PRO 86 Ca -0.07 -1.11 -0.19 0.00 -0.04 0.00 0.00 63.50 62.09 1ijn n PRO 86 Cb 0.42 -0.20 -0.06 0.00 -0.04 0.00 0.00 33.50 33.62 1ijn n PRO 86 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ijn n PHE 87 N -1.78 0.00 -2.62 0.54 7.35 -0.95 -5.02 117.46 114.98 1ijn n PHE 87 Ca 0.06 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.37 1ijn n PHE 87 Cb 0.23 -0.63 -0.05 0.00 0.35 0.00 0.00 39.48 39.38 1ijn n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1ijn s HIS 88 N -2.36 3.54 0.12 -5.13 3.76 -1.26 -4.96 115.29 109.01 1ijn s HIS 88 Ca -0.25 1.73 -0.13 0.00 -0.15 0.00 0.00 55.06 56.25 1ijn s HIS 88 Cb 0.09 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 1ijn s HIS 88 CO 0.32 -0.26 1.49 0.93 -0.85 0.00 0.00 174.74 176.37 1ijn h GLU 89 N 3.18 0.81 -2.35 1.40 4.39 -1.97 -3.31 114.58 116.73 1ijn h GLU 89 Ca -0.47 -0.37 0.18 0.00 0.34 0.00 0.00 59.36 59.04 1ijn h GLU 89 Cb 1.21 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.77 1ijn h GLU 89 CO 0.65 1.00 0.54 -3.38 -1.16 0.00 0.00 179.01 176.65 1ijn s HIS 90 N -4.57 -0.05 -0.23 4.33 -3.43 -1.26 -3.10 115.29 106.98 1ijn s HIS 90 Ca -0.12 -0.28 -0.06 0.00 -0.80 0.00 0.00 55.06 53.80 1ijn s HIS 90 Cb 0.10 0.66 -0.03 0.00 -1.43 0.00 0.00 32.58 31.88 1ijn s HIS 90 CO 0.84 -0.83 0.04 0.00 -2.00 0.00 0.00 174.74 172.78 1ijn s ALA 91 N -2.84 3.11 -0.20 -1.38 0.00 -0.03 -4.89 121.76 115.54 1ijn s ALA 91 Ca 0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1ijn s ALA 91 Cb -0.01 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1ijn s ALA 91 CO 0.03 -0.34 -0.03 -2.00 0.00 0.00 0.00 175.76 173.42 1ijn s GLU 92 N 1.33 3.50 -0.24 0.00 2.12 -1.26 -0.04 118.70 124.12 1ijn s GLU 92 Ca 0.05 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.82 1ijn s GLU 92 Cb -0.15 -2.99 0.05 0.00 0.26 0.00 0.00 34.13 31.31 1ijn s GLU 92 CO 0.02 -0.02 -0.12 0.08 -0.54 0.00 0.00 175.26 174.68 1ijn s VAL 93 N 1.05 2.21 -0.13 3.70 1.01 0.41 -4.96 120.40 123.69 1ijn s VAL 93 Ca 0.01 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.58 1ijn s VAL 93 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1ijn s VAL 93 CO 0.01 0.12 -0.17 -0.69 0.00 0.00 0.00 175.10 174.36 1ijn s VAL 94 N 1.16 2.64 0.03 2.92 1.01 -1.26 -0.38 120.40 126.52 1ijn s VAL 94 Ca -0.05 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 1ijn s VAL 94 Cb -0.18 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1ijn s VAL 94 CO -0.07 0.53 0.51 0.72 0.00 0.00 0.00 175.10 176.79 1ijn s PHE 95 N 0.49 -0.42 0.10 5.22 -0.71 -0.23 -4.99 117.98 117.45 1ijn s PHE 95 Ca -0.12 0.52 -0.27 0.00 -1.04 0.00 0.00 56.93 56.02 1ijn s PHE 95 Cb -0.16 0.31 -0.06 0.00 -1.21 0.00 0.00 43.02 41.90 1ijn s PHE 95 CO 0.05 -0.61 0.85 0.99 -1.34 0.00 0.00 175.22 175.16 1ijn s THR 96 N -2.17 4.54 0.08 -4.49 2.01 -1.26 -0.30 115.64 114.05 1ijn s THR 96 Ca -0.07 1.84 0.07 0.00 0.31 0.00 0.00 61.69 63.84 1ijn s THR 96 Cb -0.01 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 1ijn s THR 96 CO 0.00 0.38 -0.18 0.00 -0.69 0.00 0.00 174.62 174.14 1ijn s ALA 97 N -0.30 1.53 -1.79 7.40 0.00 -0.34 -4.85 121.76 123.41 1ijn s ALA 97 Ca 0.41 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1ijn s ALA 97 Cb -0.22 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1ijn s ALA 97 CO 0.27 0.29 0.00 0.09 0.00 0.00 0.00 175.76 176.40 1ijn n ASN 98 N 1.33 -5.06 0.00 0.00 3.02 -1.26 -2.78 115.26 110.51 1ijn n ASN 98 Ca -0.20 0.42 0.14 0.00 -0.03 0.00 0.00 54.58 54.91 1ijn n ASN 98 Cb 0.54 -4.05 0.77 0.00 -0.61 0.00 0.00 39.78 36.43 1ijn n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ijn n ASP 99 N -0.75 0.00 -1.52 6.41 5.75 -1.26 -2.25 116.55 122.93 1ijn n ASP 99 Ca -0.17 -0.39 -0.05 0.00 -0.01 0.00 0.00 54.79 54.17 1ijn n ASP 99 Cb 0.56 -0.19 0.10 0.00 -1.03 0.00 0.00 41.12 40.55 1ijn n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ijn n SER 100 N -1.19 2.63 0.00 -1.12 7.64 -1.26 -5.09 113.62 115.23 1ijn n SER 100 Ca 0.16 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.75 1ijn n SER 100 Cb 0.19 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.66 -0.12 3.76 0.23 0.00 -0.95 -4.98 105.19 102.47 1ijn n GLY 101 Ca 0.23 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.41 4.34 0.16 1.61 0.02 -1.26 -4.23 135.00 134.24 1ijn s PRO 102 Ca 0.00 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1ijn s PRO 102 Cb 0.00 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 1ijn s PRO 102 CO 0.00 -0.24 0.03 1.03 -0.33 0.00 0.00 177.00 177.50 1ijn s ARG 103 N -1.38 1.05 -0.17 5.54 1.81 -1.26 -4.59 118.95 119.94 1ijn s ARG 103 Ca 0.51 -1.51 -0.04 0.00 -1.72 0.00 0.00 55.73 52.98 1ijn s ARG 103 Cb -0.40 -0.02 -0.02 0.00 -0.45 0.00 0.00 34.95 34.06 1ijn s ARG 103 CO 0.50 -0.21 -0.04 1.03 -0.68 0.00 0.00 175.30 175.90 1ijn s ARG 104 N -3.99 3.58 -0.11 3.54 0.52 -0.13 -4.87 118.95 117.50 1ijn s ARG 104 Ca 0.25 -0.56 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1ijn s ARG 104 Cb 0.07 -2.93 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 1ijn s ARG 104 CO 0.04 0.12 -0.18 0.71 0.02 0.00 0.00 175.30 176.01 1ijn s TYR 105 N 0.66 2.69 -0.15 -0.53 1.51 0.14 -1.52 117.35 120.15 1ijn s TYR 105 Ca -0.02 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.25 1ijn s TYR 105 Cb -0.14 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1ijn s TYR 105 CO 0.02 -0.27 -0.11 0.99 -1.11 0.00 0.00 175.55 175.08 1ijn s THR 106 N 0.25 3.16 -0.33 -0.71 2.01 0.29 -0.91 115.64 119.40 1ijn s THR 106 Ca -0.12 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.17 1ijn s THR 106 Cb -0.16 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 69.99 1ijn s THR 106 CO 0.07 0.50 0.17 -0.63 -0.69 0.00 0.00 174.62 174.04 1ijn s ILE 107 N 0.64 4.60 -0.10 1.82 -1.09 0.27 -1.23 121.20 126.10 1ijn s ILE 107 Ca -0.06 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 57.76 1ijn s ILE 107 Cb -0.15 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1ijn s ILE 107 CO 0.03 -0.04 0.04 0.00 -1.23 0.00 0.00 174.94 173.73 1ijn s ALA 108 N 1.59 3.42 0.00 9.38 0.00 -0.36 -1.11 121.76 134.69 1ijn s ALA 108 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1ijn s ALA 108 Cb -0.18 -1.61 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 1ijn s ALA 108 CO 0.06 0.57 -0.02 0.00 0.00 0.00 0.00 175.76 176.37 1ijn s ALA 109 N -0.84 0.15 -0.13 0.00 0.00 0.29 -1.00 121.76 120.22 1ijn s ALA 109 Ca 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1ijn s ALA 109 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1ijn s ALA 109 CO 0.03 0.00 -0.21 -1.17 0.00 0.00 0.00 175.76 174.41 1ijn s LEU 110 N -0.30 2.18 -0.09 0.00 2.96 -0.28 -0.77 118.68 122.38 1ijn s LEU 110 Ca -0.02 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1ijn s LEU 110 Cb -0.02 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 1ijn s LEU 110 CO -0.00 0.11 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.23 1ijn s LEU 111 N 0.67 2.65 0.14 -0.68 1.43 -0.08 -1.55 118.68 121.26 1ijn s LEU 111 Ca -0.10 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1ijn s LEU 111 Cb -0.16 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1ijn s LEU 111 CO 0.02 0.25 -0.10 -0.44 0.23 0.00 0.00 176.35 176.30 1ijn s SER 112 N -0.17 1.77 0.44 2.29 0.01 -0.08 -0.93 113.70 117.04 1ijn s SER 112 Ca -0.01 -0.99 0.18 0.00 1.31 0.00 0.00 55.95 56.45 1ijn s SER 112 Cb -0.13 -0.01 1.12 0.00 0.21 0.00 0.00 66.02 67.21 1ijn s SER 112 CO 0.03 -0.32 1.91 -0.65 0.41 0.00 0.00 173.24 174.63 1ijn h PRO 113 N 2.88 0.33 -0.02 12.44 0.11 -1.99 -2.94 132.00 142.81 1ijn h PRO 113 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ijn h PRO 113 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ijn h PRO 113 CO 0.62 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 1ijn s SER 115 N -2.48 -0.60 0.05 0.00 0.15 -1.11 -5.00 113.70 104.71 1ijn s SER 115 Ca 0.27 0.73 -0.09 0.00 0.70 0.00 0.00 55.95 57.56 1ijn s SER 115 Cb 0.23 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 1ijn s SER 115 CO 0.03 -0.50 0.18 -0.72 1.20 0.00 0.00 173.24 173.43 1ijn s TYR 116 N -0.95 0.10 0.03 3.44 -0.85 -1.26 -0.90 117.35 116.96 1ijn s TYR 116 Ca -0.07 -0.36 0.05 0.00 -0.52 0.00 0.00 57.07 56.17 1ijn s TYR 116 Cb -0.01 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 1ijn s TYR 116 CO 0.07 -0.44 -0.16 -1.54 -1.52 0.00 0.00 175.55 171.96 1ijn s SER 117 N -2.22 1.84 0.02 -0.18 1.04 -0.60 -4.98 113.70 108.63 1ijn s SER 117 Ca -0.03 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1ijn s SER 117 Cb -0.00 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 1ijn s SER 117 CO -0.05 0.08 -0.08 0.28 0.98 0.00 0.00 173.24 174.44 1ijn s THR 118 N -0.78 0.60 0.02 2.02 -1.32 -1.26 -1.13 115.64 113.78 1ijn s THR 118 Ca 0.03 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1ijn s THR 118 Cb -0.08 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 70.31 1ijn s THR 118 CO 0.01 -0.13 -0.03 0.28 -2.21 0.00 0.00 174.62 172.55 1ijn s THR 119 N -0.83 0.10 -0.09 5.08 -1.32 -0.17 -5.00 115.64 113.41 1ijn s THR 119 Ca -0.04 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 1ijn s THR 119 Cb -0.07 -0.22 -0.03 0.00 -1.51 0.00 0.00 72.50 70.67 1ijn s THR 119 CO 0.00 -0.42 -0.08 0.00 -2.21 0.00 0.00 174.62 171.91 1ijn s ALA 120 N -1.24 2.89 -0.18 11.08 0.00 -1.26 -1.22 121.76 131.82 1ijn s ALA 120 Ca -0.14 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1ijn s ALA 120 Cb -0.08 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.79 1ijn s ALA 120 CO -0.01 0.45 -0.16 0.08 0.00 0.00 0.00 175.76 176.12 1ijn s VAL 121 N -0.40 2.43 -0.14 0.00 1.01 -0.37 -4.99 120.40 117.94 1ijn s VAL 121 Ca 0.06 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ijn s VAL 121 Cb -0.12 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1ijn s VAL 121 CO 0.02 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.73 1ijn s VAL 122 N 1.22 1.99 0.09 2.92 1.01 -1.26 -0.54 120.40 125.83 1ijn s VAL 122 Ca 0.03 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1ijn s VAL 122 Cb -0.14 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1ijn s VAL 122 CO -0.08 0.54 -0.13 0.42 0.00 0.00 0.00 175.10 175.85 1ijn s THR 123 N 0.86 1.12 -0.24 3.92 -4.23 -0.57 -4.97 115.64 111.52 1ijn s THR 123 Ca -0.06 -1.52 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 1ijn s THR 123 Cb -0.15 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 1ijn s THR 123 CO -0.02 -0.38 0.39 0.21 -0.54 0.00 0.00 174.62 174.28 1ijn s ASN 124 N -2.15 6.34 0.00 3.99 3.84 -1.26 -0.96 114.94 124.75 1ijn s ASN 124 Ca 0.03 0.40 0.02 0.00 0.21 0.00 0.00 52.86 53.52 1ijn s ASN 124 Cb -0.06 -2.22 0.12 0.00 -0.55 0.00 0.00 41.25 38.53 1ijn s ASN 124 CO 0.02 -0.15 0.61 -0.81 -2.79 0.00 0.00 177.10 173.98