#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3u s GLN 3 N 0.00 3.51 0.07 1.45 -0.21 -0.32 -4.84 119.66 119.32 1i3u s GLN 3 Ca 0.00 -0.42 0.08 0.00 0.02 0.00 0.00 55.36 55.03 1i3u s GLN 3 Cb 0.00 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 1i3u s GLN 3 CO 0.00 0.43 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.92 1i3u s LEU 4 N -0.11 2.69 -0.07 2.90 1.43 -1.26 -0.75 118.68 123.52 1i3u s LEU 4 Ca 0.04 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1i3u s LEU 4 Cb -0.13 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1i3u s LEU 4 CO 0.02 0.22 0.13 -1.58 0.23 0.00 0.00 176.35 175.37 1i3u s GLN 5 N -1.75 0.00 0.30 1.70 2.00 -0.41 -4.08 119.66 117.41 1i3u s GLN 5 Ca 0.16 0.49 -0.13 0.00 -2.00 0.00 0.00 55.36 53.89 1i3u s GLN 5 Cb -0.11 -0.33 -0.08 0.00 0.80 0.00 0.00 33.01 33.29 1i3u s GLN 5 CO 0.08 -0.30 0.67 -1.21 -0.50 0.00 0.00 175.29 174.03 1i3u s GLU 6 N 2.17 3.91 0.19 1.67 8.01 -1.26 -1.10 118.70 132.29 1i3u s GLU 6 Ca 0.03 0.50 -0.14 0.00 0.01 0.00 0.00 54.97 55.38 1i3u s GLU 6 Cb -0.12 -2.50 0.01 0.00 -4.31 0.00 0.00 34.13 27.20 1i3u s GLU 6 CO -0.05 0.20 0.43 -1.54 0.01 0.00 0.00 175.26 174.31 1i3u s SER 7 N -2.40 -0.12 0.00 -0.19 1.04 0.19 -4.84 113.70 107.39 1i3u s SER 7 Ca 0.51 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1i3u s SER 7 Cb -0.11 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1i3u s SER 7 CO 0.20 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1i3u n GLY 8 N -0.30 0.67 0.00 7.32 0.00 -1.26 -0.94 105.19 110.67 1i3u n GLY 8 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1i3u n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3u n GLY 9 N -2.04 -0.29 0.00 -0.02 0.00 -1.26 -4.63 105.19 96.95 1i3u n GLY 9 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1i3u n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3u n GLY 10 N 5.00 -0.03 3.72 -0.02 0.00 0.11 -4.99 105.19 108.97 1i3u n GLY 10 Ca 0.00 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 1i3u n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3u s LEU 11 N 0.00 4.37 0.02 0.99 1.43 -1.26 -2.24 118.68 121.99 1i3u s LEU 11 Ca 0.00 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1i3u s LEU 11 Cb 0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1i3u s LEU 11 CO 0.00 -0.81 -0.04 0.54 0.23 0.00 0.00 176.35 176.28 1i3u s VAL 12 N 1.00 0.18 -0.05 -1.59 0.11 0.23 -4.93 120.40 115.36 1i3u s VAL 12 Ca 0.69 -0.88 -0.18 0.00 -2.93 0.00 0.00 61.98 58.67 1i3u s VAL 12 Cb -0.43 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 1i3u s VAL 12 CO 0.33 -0.44 0.51 -1.10 -3.33 0.00 0.00 175.10 171.06 1i3u s GLN 13 N -1.38 4.24 0.42 1.54 -0.21 -1.26 -3.91 119.66 119.10 1i3u s GLN 13 Ca -0.14 0.56 -0.24 0.00 0.02 0.00 0.00 55.36 55.56 1i3u s GLN 13 Cb -0.09 -3.35 -0.11 0.00 1.00 0.00 0.00 33.01 30.46 1i3u s GLN 13 CO -0.01 0.36 0.94 0.00 -2.12 0.00 0.00 175.29 174.47 1i3u n ALA 14 N 2.88 -0.07 0.00 6.09 0.00 -1.26 -1.67 120.51 126.47 1i3u n ALA 14 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1i3u n ALA 14 Cb 0.51 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1i3u n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3u n GLY 15 N 1.28 2.96 3.93 0.00 0.00 0.21 -4.93 105.19 108.63 1i3u n GLY 15 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1i3u n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3u s ASP 16 N 0.18 5.18 0.23 1.61 1.01 -0.67 -4.07 116.67 120.14 1i3u s ASP 16 Ca 0.00 0.46 0.07 0.00 0.71 0.00 0.00 52.55 53.79 1i3u s ASP 16 Cb 0.00 -1.28 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 1i3u s ASP 16 CO 0.00 -1.32 0.16 -0.94 0.21 0.00 0.00 175.17 173.28 1i3u s SER 17 N -4.42 5.41 -0.02 0.27 1.04 -1.26 -1.65 113.70 113.06 1i3u s SER 17 Ca 0.57 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 1i3u s SER 17 Cb -0.11 -1.35 0.01 0.00 0.10 0.00 0.00 66.02 64.68 1i3u s SER 17 CO 0.44 -0.00 0.05 -0.22 0.98 0.00 0.00 173.24 174.48 1i3u s LEU 18 N -3.59 1.54 -0.31 2.42 2.96 0.86 -4.99 118.68 117.57 1i3u s LEU 18 Ca 0.32 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 1i3u s LEU 18 Cb -0.08 0.12 0.01 0.00 0.50 0.00 0.00 46.19 46.73 1i3u s LEU 18 CO 0.24 -0.06 0.11 -0.75 -1.32 0.00 0.00 176.35 174.57 1i3u s LYS 19 N 0.40 3.07 0.06 1.98 2.20 -1.26 -0.14 119.74 126.05 1i3u s LYS 19 Ca -0.03 -0.88 -0.07 0.00 -0.36 0.00 0.00 55.97 54.63 1i3u s LYS 19 Cb -0.04 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1i3u s LYS 19 CO -0.01 -0.49 0.33 -0.51 -0.36 0.00 0.00 175.35 174.31 1i3u s LEU 20 N 1.52 4.34 0.05 5.43 1.43 -0.30 -4.57 118.68 126.58 1i3u s LEU 20 Ca 0.03 0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1i3u s LEU 20 Cb -0.18 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1i3u s LEU 20 CO 0.04 0.18 -0.20 -0.44 0.23 0.00 0.00 176.35 176.16 1i3u s SER 21 N -1.91 2.44 -0.24 2.29 0.01 -0.12 -0.82 113.70 115.35 1i3u s SER 21 Ca 0.32 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1i3u s SER 21 Cb -0.13 -0.19 0.06 0.00 0.21 0.00 0.00 66.02 65.97 1i3u s SER 21 CO 0.19 0.14 -0.03 0.00 0.41 0.00 0.00 173.24 173.95 1i3u s GLU 23 N 1.44 3.62 0.09 0.00 2.12 -0.26 -1.68 118.70 124.03 1i3u s GLU 23 Ca -0.03 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.04 1i3u s GLU 23 Cb -0.19 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1i3u s GLU 23 CO -0.08 0.53 0.23 0.00 -0.54 0.00 0.00 175.26 175.41 1i3u s ALA 24 N -0.35 3.98 0.03 6.30 0.00 -0.33 -1.29 121.76 130.10 1i3u s ALA 24 Ca 0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1i3u s ALA 24 Cb -0.12 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1i3u s ALA 24 CO 0.02 0.72 -0.00 -1.12 0.00 0.00 0.00 175.76 175.37 1i3u s SER 25 N -2.79 0.27 0.00 0.00 0.01 0.07 -4.88 113.70 106.39 1i3u s SER 25 Ca 0.35 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1i3u s SER 25 Cb -0.12 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1i3u s SER 25 CO 0.28 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1i3u n GLY 26 N 1.16 3.10 3.81 3.44 0.00 -1.26 -1.18 105.19 114.28 1i3u n GLY 26 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 1i3u n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i3u s ASP 27 N -0.84 -0.22 0.01 1.61 2.15 -1.26 -4.92 116.67 113.20 1i3u s ASP 27 Ca 0.00 -0.52 -0.30 0.00 0.43 0.00 0.00 52.55 52.16 1i3u s ASP 27 Cb 0.00 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.21 1i3u s ASP 27 CO 0.00 -1.15 1.03 -0.44 -0.17 0.00 0.00 175.17 174.44 1i3u s SER 28 N -2.93 7.30 0.57 -0.34 0.01 -1.26 -4.91 113.70 112.14 1i3u s SER 28 Ca 0.12 1.73 0.37 0.00 1.31 0.00 0.00 55.95 59.47 1i3u s SER 28 Cb -0.04 -2.57 1.74 0.00 0.21 0.00 0.00 66.02 65.36 1i3u s SER 28 CO 0.05 -0.31 2.10 -0.29 0.41 0.00 0.00 173.24 175.20 1i3u h ILE 29 N 4.75 0.00 0.00 1.44 6.09 -1.88 -2.31 117.51 125.61 1i3u h ILE 29 Ca -0.41 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1i3u h ILE 29 Cb 1.22 1.25 0.00 0.00 0.47 0.00 0.00 36.82 39.76 1i3u h ILE 29 CO 0.77 0.00 0.00 1.23 -3.07 0.00 0.00 178.15 177.08 1i3u h GLY 30 N 1.22 0.00 0.56 8.18 0.00 -1.91 -2.33 103.07 108.79 1i3u h GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i3u h GLY 30 CO 0.00 0.00 -0.15 2.41 0.00 0.00 0.00 176.54 178.80 1i3u n THR 31 N -2.84 0.00 -4.89 4.70 -1.04 -0.87 -4.78 114.28 104.57 1i3u n THR 31 Ca -0.00 -0.10 -0.28 0.00 -2.04 0.00 0.00 64.05 61.63 1i3u n THR 31 Cb 0.21 0.12 -0.15 0.00 -1.82 0.00 0.00 70.33 68.69 1i3u n THR 31 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1i3u s TYR 32 N -2.43 2.00 0.17 -1.42 2.02 -0.88 -4.74 117.35 112.07 1i3u s TYR 32 Ca 0.28 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.30 1i3u s TYR 32 Cb 0.20 -1.23 -0.07 0.00 -0.40 0.00 0.00 41.96 40.45 1i3u s TYR 32 CO 0.48 0.05 1.05 0.08 -1.57 0.00 0.00 175.55 175.64 1i3u s VAL 33 N -0.69 4.03 -0.09 0.71 1.01 0.18 -4.49 120.40 121.05 1i3u s VAL 33 Ca 0.09 1.76 0.02 0.00 0.00 0.00 0.00 61.98 63.85 1i3u s VAL 33 Cb -0.09 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1i3u s VAL 33 CO 0.01 0.31 -0.14 -0.63 0.00 0.00 0.00 175.10 174.65 1i3u s ILE 34 N -0.28 3.03 0.25 2.22 1.09 -0.74 -2.44 121.20 124.32 1i3u s ILE 34 Ca 0.48 -0.70 0.10 0.00 -1.10 0.00 0.00 60.65 59.43 1i3u s ILE 34 Cb -0.28 -2.23 -0.05 0.00 -1.06 0.00 0.00 42.46 38.84 1i3u s ILE 34 CO 0.34 0.56 -0.18 -0.83 -0.10 0.00 0.00 174.94 174.72 1i3u s GLY 35 N -0.14 1.71 -0.03 6.18 0.00 -0.49 -0.90 107.32 113.65 1i3u s GLY 35 Ca -0.01 -1.79 0.07 0.00 0.00 0.00 0.00 44.72 42.98 1i3u s GLY 35 CO 0.03 -1.89 -0.24 -0.98 0.00 0.00 0.00 173.10 170.03 1i3u s TRP 36 N -2.68 2.17 0.14 1.90 0.52 -0.38 -1.13 118.94 119.48 1i3u s TRP 36 Ca 0.27 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.91 1i3u s TRP 36 Cb -0.03 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.83 1i3u s TRP 36 CO 0.12 -0.09 0.01 -0.06 0.02 0.00 0.00 176.95 176.95 1i3u s PHE 37 N -0.42 0.98 -0.00 -1.98 0.40 0.62 -0.61 117.98 116.96 1i3u s PHE 37 Ca 0.05 -1.09 -0.04 0.00 -0.60 0.00 0.00 56.93 55.25 1i3u s PHE 37 Cb -0.10 -0.57 -0.00 0.00 0.51 0.00 0.00 43.02 42.86 1i3u s PHE 37 CO 0.00 -0.33 0.08 -0.98 0.70 0.00 0.00 175.22 174.70 1i3u s ARG 38 N -3.95 0.33 -0.05 0.44 1.70 -0.78 -0.02 118.95 116.61 1i3u s ARG 38 Ca 0.21 -0.29 -0.00 0.00 -0.47 0.00 0.00 55.73 55.17 1i3u s ARG 38 Cb 0.07 0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1i3u s ARG 38 CO 0.01 -0.07 -0.00 -1.14 -1.08 0.00 0.00 175.30 173.02 1i3u s GLN 39 N -0.97 0.53 0.37 3.89 0.74 0.04 -0.88 119.66 123.38 1i3u s GLN 39 Ca -0.11 0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.25 1i3u s GLN 39 Cb -0.06 -0.77 -0.07 0.00 1.10 0.00 0.00 33.01 33.20 1i3u s GLN 39 CO 0.00 -0.21 0.76 0.00 -0.55 0.00 0.00 175.29 175.29 1i3u s ALA 40 N 1.49 3.34 -0.01 1.58 0.00 -1.26 -1.97 121.76 124.92 1i3u s ALA 40 Ca -0.03 -0.11 -0.38 0.00 0.00 0.00 0.00 51.96 51.45 1i3u s ALA 40 Cb -0.13 -2.73 -0.16 0.00 0.00 0.00 0.00 23.12 20.09 1i3u s ALA 40 CO -0.03 0.12 1.44 -2.30 0.00 0.00 0.00 175.76 174.99 1i3u n PRO 41 N -0.94 1.14 0.00 0.00 -0.02 -1.26 -0.78 135.00 133.13 1i3u n PRO 41 Ca 0.03 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1i3u n PRO 41 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1i3u n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i3u n GLY 42 N 2.93 2.60 4.02 -1.23 0.00 -1.26 -5.00 105.19 107.26 1i3u n GLY 42 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1i3u n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3u s LYS 43 N 0.00 2.11 0.53 1.61 -2.85 0.04 -5.11 119.74 116.07 1i3u s LYS 43 Ca 0.00 -1.49 -0.05 0.00 -1.00 0.00 0.00 55.97 53.44 1i3u s LYS 43 Cb 0.00 -2.55 -0.01 0.00 -2.06 0.00 0.00 37.83 33.21 1i3u s LYS 43 CO 0.00 -1.04 0.83 -1.83 0.10 0.00 0.00 175.35 173.41 1i3u s GLU 44 N -4.81 3.14 -0.05 1.78 -1.05 -1.26 -4.64 118.70 111.81 1i3u s GLU 44 Ca 0.63 -0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 55.13 1i3u s GLU 44 Cb -0.06 -2.35 -0.04 0.00 -0.44 0.00 0.00 34.13 31.25 1i3u s GLU 44 CO 0.41 -0.47 1.24 1.03 0.95 0.00 0.00 175.26 178.42 1i3u s ARG 45 N -4.84 4.33 -0.13 -4.83 0.52 -1.26 -4.52 118.95 108.22 1i3u s ARG 45 Ca 0.51 1.73 -0.04 0.00 -0.52 0.00 0.00 55.73 57.41 1i3u s ARG 45 Cb -0.10 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 1i3u s ARG 45 CO 0.44 -0.49 0.02 0.42 0.02 0.00 0.00 175.30 175.71 1i3u s ILE 46 N 2.35 4.44 0.30 1.52 1.01 -0.06 -4.72 121.20 126.04 1i3u s ILE 46 Ca 0.57 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 1i3u s ILE 46 Cb -0.26 -2.93 -0.11 0.00 0.01 0.00 0.00 42.46 39.18 1i3u s ILE 46 CO 0.22 0.54 1.52 -0.47 0.00 0.00 0.00 174.94 176.76 1i3u s TYR 47 N -0.28 2.81 -0.02 3.97 6.14 -1.26 -1.87 117.35 126.83 1i3u s TYR 47 Ca 0.07 0.94 -0.03 0.00 0.64 0.00 0.00 57.07 58.69 1i3u s TYR 47 Cb -0.12 -3.98 -0.02 0.00 0.42 0.00 0.00 41.96 38.26 1i3u s TYR 47 CO 0.02 -3.16 -0.08 1.28 0.64 0.00 0.00 175.55 174.25 1i3u n LEU 48 N 1.84 0.75 -3.80 6.97 4.32 0.22 -4.70 117.00 122.59 1i3u n LEU 48 Ca 0.06 0.11 -0.08 0.00 -0.02 0.00 0.00 56.01 56.08 1i3u n LEU 48 Cb 0.39 -0.27 -0.02 0.00 -1.62 0.00 0.00 43.42 41.89 1i3u n LEU 48 CO 0.63 -0.17 0.42 0.00 -1.22 0.00 0.00 177.39 177.04 1i3u s ALA 49 N -2.14 -1.16 -0.01 -1.18 0.00 -1.14 -0.48 121.76 115.65 1i3u s ALA 49 Ca -0.07 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1i3u s ALA 49 Cb 0.02 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1i3u s ALA 49 CO 0.10 -0.96 -0.03 0.99 0.00 0.00 0.00 175.76 175.85 1i3u s THR 50 N -3.90 0.26 -0.12 0.00 2.01 0.24 -1.25 115.64 112.88 1i3u s THR 50 Ca 0.10 -0.12 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 1i3u s THR 50 Cb -0.04 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1i3u s THR 50 CO 0.04 0.09 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.45 1i3u s ILE 51 N 0.07 1.13 0.86 1.82 2.07 -0.08 -1.34 121.20 125.73 1i3u s ILE 51 Ca -0.00 -0.36 -0.12 0.00 -1.41 0.00 0.00 60.65 58.76 1i3u s ILE 51 Cb -0.03 -1.13 0.11 0.00 0.13 0.00 0.00 42.46 41.54 1i3u s ILE 51 CO -0.00 0.39 1.12 -0.83 -1.91 0.00 0.00 174.94 173.71 1i3u s GLY 52 N 1.66 1.60 0.17 1.50 0.00 0.67 -1.80 107.32 111.12 1i3u s GLY 52 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 1i3u s GLY 52 CO -0.09 0.09 1.42 3.21 0.00 0.00 0.00 173.10 177.74 1i3u h ARG 53 N -1.30 0.40 -5.79 2.90 3.08 -1.86 -3.41 114.38 108.40 1i3u h ARG 53 Ca -0.49 -0.34 -0.59 0.00 0.07 0.00 0.00 59.98 58.63 1i3u h ARG 53 Cb 1.31 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.36 1i3u h ARG 53 CO 0.61 0.98 -0.40 -0.80 -1.07 0.00 0.00 179.97 179.29 1i3u s ASN 54 N -6.98 4.50 0.52 7.04 0.01 -1.26 -4.99 114.94 113.78 1i3u s ASN 54 Ca -0.06 -1.25 -0.06 0.00 -0.71 0.00 0.00 52.86 50.78 1i3u s ASN 54 Cb 0.10 0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.88 1i3u s ASN 54 CO 0.84 -0.88 0.83 -0.76 -1.51 0.00 0.00 177.10 175.62 1i3u s LEU 55 N -4.10 3.51 0.00 0.60 1.02 -1.26 -1.37 118.68 117.08 1i3u s LEU 55 Ca 0.31 0.92 0.00 0.00 0.02 0.00 0.00 54.13 55.38 1i3u s LEU 55 Cb 0.00 -3.85 0.00 0.00 0.02 0.00 0.00 46.19 42.36 1i3u s LEU 55 CO 0.18 -0.71 0.39 1.33 0.02 0.00 0.00 176.35 177.56 1i3u n VAL 56 N -2.37 0.01 -3.37 -1.59 0.24 -0.61 -4.70 118.33 105.94 1i3u n VAL 56 Ca 0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1i3u n VAL 56 Cb 0.56 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.15 1i3u n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i3u n GLY 57 N -0.00 1.34 0.24 7.63 0.00 -1.24 -5.00 105.19 108.16 1i3u n GLY 57 Ca 0.00 -0.91 0.09 0.00 0.00 0.00 0.00 46.02 45.20 1i3u n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i3u h PRO 58 N 0.00 0.00 0.00 1.61 0.13 -2.03 -3.38 132.00 128.33 1i3u h PRO 58 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1i3u h PRO 58 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1i3u h PRO 58 CO 0.00 0.17 -0.84 0.43 -0.23 0.00 0.00 178.00 177.53 1i3u n SER 59 N -3.99 3.53 -4.76 1.44 7.64 -1.26 -5.08 113.62 111.13 1i3u n SER 59 Ca -0.02 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.46 1i3u n SER 59 Cb 0.25 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 1i3u n SER 59 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1i3u s ASP 60 N -3.61 7.38 0.59 6.43 -0.00 -1.26 -5.00 116.67 121.19 1i3u s ASP 60 Ca 0.00 2.09 -0.03 0.00 -0.00 0.00 0.00 52.55 54.61 1i3u s ASP 60 Cb 0.00 -2.61 0.03 0.00 -0.00 0.00 0.00 42.92 40.33 1i3u s ASP 60 CO 0.00 -0.05 0.86 -0.36 -0.00 0.00 0.00 175.17 175.62 1i3u s PHE 61 N -1.25 3.06 0.32 4.23 0.40 -1.26 -1.57 117.98 121.91 1i3u s PHE 61 Ca 0.45 0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 56.85 1i3u s PHE 61 Cb -0.28 -2.80 -0.10 0.00 0.51 0.00 0.00 43.02 40.35 1i3u s PHE 61 CO 0.35 -0.92 1.30 -0.47 0.70 0.00 0.00 175.22 176.18 1i3u s TYR 62 N -2.93 3.09 0.04 0.36 5.04 -0.47 -4.59 117.35 117.88 1i3u s TYR 62 Ca 0.55 1.40 -0.07 0.00 -2.44 0.00 0.00 57.07 56.52 1i3u s TYR 62 Cb -0.10 -3.66 -0.01 0.00 0.35 0.00 0.00 41.96 38.54 1i3u s TYR 62 CO 0.42 -1.82 0.12 0.95 -1.34 0.00 0.00 175.55 173.89 1i3u s THR 63 N -1.02 0.13 -0.09 4.34 -4.23 -1.26 -0.24 115.64 113.27 1i3u s THR 63 Ca 0.50 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.77 1i3u s THR 63 Cb -0.39 -0.92 0.04 0.00 1.34 0.00 0.00 72.50 72.57 1i3u s THR 63 CO 0.51 -0.58 0.45 -0.60 -0.54 0.00 0.00 174.62 173.86 1i3u s ARG 64 N -2.65 0.70 0.05 3.99 3.52 -0.45 -4.97 118.95 119.15 1i3u s ARG 64 Ca -0.05 0.25 0.03 0.00 -0.13 0.00 0.00 55.73 55.84 1i3u s ARG 64 Cb -0.01 0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1i3u s ARG 64 CO -0.05 -0.17 -0.10 0.71 -0.81 0.00 0.00 175.30 174.88 1i3u s TYR 65 N -0.66 0.88 0.61 5.12 2.02 -1.26 -0.59 117.35 123.46 1i3u s TYR 65 Ca -0.08 -0.47 -0.16 0.00 -0.37 0.00 0.00 57.07 55.99 1i3u s TYR 65 Cb -0.03 -0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 1i3u s TYR 65 CO 0.04 -0.03 1.07 0.00 -1.57 0.00 0.00 175.55 175.07 1i3u s ALA 66 N -1.31 2.67 0.50 3.71 0.00 0.36 -4.78 121.76 122.91 1i3u s ALA 66 Ca -0.07 0.46 0.15 0.00 0.00 0.00 0.00 51.96 52.51 1i3u s ALA 66 Cb -0.10 -3.26 1.19 0.00 0.00 0.00 0.00 23.12 20.95 1i3u s ALA 66 CO 0.01 -0.92 2.10 -0.44 0.00 0.00 0.00 175.76 176.51 1i3u h ASP 67 N 0.40 0.01 -0.34 0.00 3.32 -1.94 -0.56 116.42 117.31 1i3u h ASP 67 Ca -0.47 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.65 1i3u h ASP 67 Cb 1.23 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1i3u h ASP 67 CO 0.56 0.06 0.24 0.77 -1.72 0.00 0.00 179.24 179.15 1i3u h SER 68 N 0.02 0.12 0.00 6.45 4.64 -1.95 -3.22 113.55 119.61 1i3u h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i3u h SER 68 Cb 0.09 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1i3u h SER 68 CO 0.01 0.07 0.00 1.33 -0.87 0.00 0.00 176.83 177.37 1i3u n VAL 69 N -4.46 0.00 -1.67 0.95 0.24 -0.92 -4.97 118.33 107.49 1i3u n VAL 69 Ca 0.05 -0.36 -0.51 0.00 -2.04 0.00 0.00 64.34 61.48 1i3u n VAL 69 Cb 0.32 1.20 -0.05 0.00 -1.47 0.00 0.00 33.84 33.84 1i3u n VAL 69 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1i3u n LYS 70 N -0.21 1.74 0.00 7.34 4.81 -0.26 0.35 118.16 131.92 1i3u n LYS 70 Ca 0.00 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1i3u n LYS 70 Cb 0.05 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1i3u n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i3u n GLY 71 N 3.82 2.02 0.04 3.14 0.00 -1.26 -4.81 105.19 108.13 1i3u n GLY 71 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 1i3u n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i3u n ARG 72 N -2.00 2.36 -4.42 1.61 0.63 0.15 -5.00 116.66 109.99 1i3u n ARG 72 Ca 0.00 -0.01 -0.30 0.00 -0.92 0.00 0.00 57.85 56.61 1i3u n ARG 72 Cb 0.00 -1.21 -0.11 0.00 0.45 0.00 0.00 32.46 31.59 1i3u n ARG 72 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1i3u s PHE 73 N -2.25 2.66 -0.07 -0.14 0.40 -0.44 -1.90 117.98 116.24 1i3u s PHE 73 Ca -0.04 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1i3u s PHE 73 Cb 0.03 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 42.13 1i3u s PHE 73 CO 0.34 0.35 -0.01 0.00 0.70 0.00 0.00 175.22 176.60 1i3u s ALA 74 N -1.07 0.72 -0.03 5.36 0.00 -0.13 -4.82 121.76 121.79 1i3u s ALA 74 Ca 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 1i3u s ALA 74 Cb -0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1i3u s ALA 74 CO 0.09 -0.37 0.24 0.54 0.00 0.00 0.00 175.76 176.26 1i3u s VAL 75 N 1.75 5.35 0.06 0.00 0.11 -1.26 -0.16 120.40 126.24 1i3u s VAL 75 Ca 0.02 0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1i3u s VAL 75 Cb -0.13 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1i3u s VAL 75 CO -0.04 0.46 0.03 -0.94 -3.33 0.00 0.00 175.10 171.27 1i3u s SER 76 N -1.45 0.38 -0.05 3.54 1.04 -0.02 -4.99 113.70 112.15 1i3u s SER 76 Ca 0.23 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.83 1i3u s SER 76 Cb -0.13 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 1i3u s SER 76 CO 0.12 -0.61 -0.18 -0.60 0.98 0.00 0.00 173.24 172.96 1i3u s ARG 77 N -3.72 1.93 -0.52 4.02 3.52 -1.26 -0.55 118.95 122.36 1i3u s ARG 77 Ca 0.05 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 55.06 1i3u s ARG 77 Cb 0.06 -1.64 0.17 0.00 -1.56 0.00 0.00 34.95 31.98 1i3u s ARG 77 CO -0.10 0.23 0.39 0.34 -0.81 0.00 0.00 175.30 175.35 1i3u s ASP 78 N 0.10 2.94 0.33 -2.12 3.68 0.97 -4.98 116.67 117.59 1i3u s ASP 78 Ca -0.06 -3.31 0.01 0.00 2.13 0.00 0.00 52.55 51.32 1i3u s ASP 78 Cb -0.13 -0.94 0.57 0.00 -1.45 0.00 0.00 42.92 40.97 1i3u s ASP 78 CO 0.03 -0.15 1.98 0.78 0.13 0.00 0.00 175.17 177.94 1i3u h ASN 79 N 5.67 0.82 -0.42 -0.34 2.35 -1.95 -1.00 115.58 120.70 1i3u h ASN 79 Ca 0.19 -0.02 0.11 0.00 -0.55 0.00 0.00 56.30 56.03 1i3u h ASN 79 Cb 0.85 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1i3u h ASN 79 CO 0.51 0.58 0.30 0.00 -1.65 0.00 0.00 177.43 177.16 1i3u h ALA 80 N 1.55 2.28 -0.49 -0.83 0.00 -1.93 0.29 119.26 120.12 1i3u h ALA 80 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1i3u h ALA 80 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i3u h ALA 80 CO -0.07 -0.39 0.00 1.63 0.00 0.00 0.00 179.25 180.42 1i3u n LYS 81 N -4.44 3.13 -3.59 0.00 5.02 -0.82 -4.95 118.16 112.52 1i3u n LYS 81 Ca 0.07 -2.54 -0.27 0.00 -2.02 0.00 0.00 58.31 53.55 1i3u n LYS 81 Cb 0.44 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1i3u n LYS 81 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1i3u n ASN 82 N 0.74 -4.13 -4.11 4.39 5.15 0.10 -4.84 115.26 112.55 1i3u n ASN 82 Ca 0.20 -0.56 -0.15 0.00 -0.60 0.00 0.00 54.58 53.47 1i3u n ASN 82 Cb 0.68 -3.37 -0.11 0.00 -0.53 0.00 0.00 39.78 36.44 1i3u n ASN 82 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1i3u s THR 83 N -3.09 0.76 -0.05 -0.44 2.01 -0.44 -1.19 115.64 113.21 1i3u s THR 83 Ca 0.51 -1.26 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1i3u s THR 83 Cb -0.26 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.35 1i3u s THR 83 CO 0.63 -0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.34 1i3u s VAL 84 N -1.61 1.19 0.28 3.82 1.01 -0.68 -0.02 120.40 124.38 1i3u s VAL 84 Ca -0.05 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1i3u s VAL 84 Cb -0.08 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1i3u s VAL 84 CO 0.01 0.36 -0.05 0.20 0.00 0.00 0.00 175.10 175.61 1i3u s ASN 85 N 0.26 4.29 -0.21 3.32 0.01 0.29 -0.96 114.94 121.94 1i3u s ASN 85 Ca -0.07 -0.76 -0.03 0.00 -0.71 0.00 0.00 52.86 51.29 1i3u s ASN 85 Cb -0.12 -0.69 0.07 0.00 0.41 0.00 0.00 41.25 40.92 1i3u s ASN 85 CO 0.02 -0.01 0.07 -0.22 -1.51 0.00 0.00 177.10 175.45 1i3u s LEU 86 N -3.64 1.01 -0.36 0.60 2.96 0.00 -0.84 118.68 118.42 1i3u s LEU 86 Ca 0.31 -0.92 -0.24 0.00 -0.22 0.00 0.00 54.13 53.07 1i3u s LEU 86 Cb -0.06 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.14 1i3u s LEU 86 CO 0.19 -0.35 0.80 -1.58 -1.32 0.00 0.00 176.35 174.09 1i3u s GLN 87 N 1.93 3.78 -0.24 1.98 2.00 0.78 -1.15 119.66 128.74 1i3u s GLN 87 Ca 0.02 0.37 -0.08 0.00 -2.00 0.00 0.00 55.36 53.68 1i3u s GLN 87 Cb -0.17 -3.80 -0.03 0.00 0.80 0.00 0.00 33.01 29.81 1i3u s GLN 87 CO -0.14 -0.85 0.08 -1.64 -0.50 0.00 0.00 175.29 172.25 1i3u s MET 88 N 3.13 3.76 0.27 1.67 -1.94 0.81 -0.95 119.30 126.04 1i3u s MET 88 Ca 0.32 -0.43 0.08 0.00 -1.71 0.00 0.00 55.69 53.96 1i3u s MET 88 Cb -0.13 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.33 1i3u s MET 88 CO 0.17 -0.09 0.11 -0.80 -0.01 0.00 0.00 175.02 174.40 1i3u s ASN 89 N 1.36 5.05 -1.32 3.03 0.01 -0.80 -0.10 114.94 122.18 1i3u s ASN 89 Ca 0.05 -0.46 -0.20 0.00 -0.71 0.00 0.00 52.86 51.55 1i3u s ASN 89 Cb -0.15 -1.11 0.02 0.00 0.41 0.00 0.00 41.25 40.42 1i3u s ASN 89 CO 0.04 -0.05 0.47 -1.20 -1.51 0.00 0.00 177.10 174.86 1i3u n SER 90 N -1.06 -2.43 -4.76 -1.22 7.64 -1.23 -4.87 113.62 105.68 1i3u n SER 90 Ca -0.07 -1.23 -0.36 0.00 1.01 0.00 0.00 58.87 58.22 1i3u n SER 90 Cb 0.59 -1.99 0.02 0.00 -1.01 0.00 0.00 64.21 61.82 1i3u n SER 90 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i3u s LEU 91 N -7.28 3.75 0.08 -3.43 1.43 -0.66 -4.63 118.68 107.94 1i3u s LEU 91 Ca 0.30 2.34 -0.07 0.00 -1.03 0.00 0.00 54.13 55.68 1i3u s LEU 91 Cb -0.16 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 1i3u s LEU 91 CO 0.96 -1.39 0.14 -1.59 0.23 0.00 0.00 176.35 174.70 1i3u s LYS 92 N -3.20 0.80 0.63 1.70 -2.85 -1.26 0.63 119.74 116.19 1i3u s LYS 92 Ca 0.74 -1.04 0.19 0.00 -1.00 0.00 0.00 55.97 54.86 1i3u s LYS 92 Cb -0.29 0.31 0.76 0.00 -2.06 0.00 0.00 37.83 36.55 1i3u s LYS 92 CO 0.32 -0.24 1.32 -1.00 0.10 0.00 0.00 175.35 175.86 1i3u h PRO 93 N 2.84 0.00 0.00 1.78 0.13 -1.97 1.04 132.00 135.82 1i3u h PRO 93 Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1i3u h PRO 93 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1i3u h PRO 93 CO 0.58 0.00 -0.22 0.93 -0.23 0.00 0.00 178.00 179.06 1i3u h GLU 94 N 0.00 0.00 -0.00 0.86 3.07 -1.99 -2.92 114.58 113.60 1i3u h GLU 94 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1i3u h GLU 94 Cb 2.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.23 1i3u h GLU 94 CO -0.00 0.22 -0.06 -0.25 -1.40 0.00 0.00 179.01 177.51 1i3u n ASP 95 N -3.37 0.14 -4.68 1.42 8.00 0.36 -4.86 116.55 113.56 1i3u n ASP 95 Ca 0.00 -0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.04 1i3u n ASP 95 Cb 0.43 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1i3u n ASP 95 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i3u s THR 96 N -2.72 2.74 0.00 -3.53 2.01 -1.10 -4.89 115.64 108.14 1i3u s THR 96 Ca 0.23 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1i3u s THR 96 Cb 0.20 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1i3u s THR 96 CO 0.51 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.43 1i3u n ALA 97 N 6.37 0.00 -2.67 7.40 0.00 -0.32 -4.80 120.51 126.49 1i3u n ALA 97 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 1i3u n ALA 97 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 1i3u n ALA 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1i3u s VAL 98 N -2.00 4.96 -0.06 0.00 -7.23 -0.83 -1.34 120.40 113.90 1i3u s VAL 98 Ca 0.00 1.43 -0.09 0.00 -1.81 0.00 0.00 61.98 61.51 1i3u s VAL 98 Cb 0.00 -4.05 -0.05 0.00 0.56 0.00 0.00 36.38 32.85 1i3u s VAL 98 CO 0.00 0.10 0.24 -0.31 -0.31 0.00 0.00 175.10 174.82 1i3u s TYR 99 N 1.82 3.64 0.13 2.82 1.51 0.90 -0.78 117.35 127.38 1i3u s TYR 99 Ca 0.34 0.68 0.05 0.00 -1.01 0.00 0.00 57.07 57.14 1i3u s TYR 99 Cb -0.16 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1i3u s TYR 99 CO 0.13 0.69 -0.13 0.71 -1.11 0.00 0.00 175.55 175.84 1i3u s TYR 100 N -1.09 1.35 0.06 2.71 1.51 0.97 -0.89 117.35 121.97 1i3u s TYR 100 Ca 0.20 -0.60 0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1i3u s TYR 100 Cb -0.14 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1i3u s TYR 100 CO 0.09 0.13 -0.22 0.00 -1.11 0.00 0.00 175.55 174.44 1i3u s ALA 102 N -0.89 1.28 0.03 0.00 0.00 -0.28 -1.98 121.76 119.92 1i3u s ALA 102 Ca 0.08 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.31 1i3u s ALA 102 Cb -0.09 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.27 1i3u s ALA 102 CO 0.03 -0.55 -0.00 0.00 0.00 0.00 0.00 175.76 175.23 1i3u s ALA 103 N -4.05 0.15 0.29 0.00 0.00 -0.22 -1.40 121.76 116.53 1i3u s ALA 103 Ca 0.38 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 1i3u s ALA 103 Cb 0.07 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.43 1i3u s ALA 103 CO 0.12 -0.23 0.83 -1.59 0.00 0.00 0.00 175.76 174.89 1i3u s LYS 104 N -2.13 1.81 0.00 0.00 -2.85 -1.02 -1.01 119.74 114.54 1i3u s LYS 104 Ca -0.10 -1.10 0.03 0.00 -1.00 0.00 0.00 55.97 53.80 1i3u s LYS 104 Cb -0.05 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1i3u s LYS 104 CO -0.03 -0.84 0.27 0.25 0.10 0.00 0.00 175.35 175.10 1i3u n THR 105 N -0.53 0.00 -1.74 3.79 -2.24 -1.26 0.48 114.28 112.78 1i3u n THR 105 Ca -0.06 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 60.94 1i3u n THR 105 Cb 0.60 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.88 1i3u n THR 105 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1i3u s THR 106 N -0.89 3.99 -0.30 4.28 -4.23 -1.26 -4.83 115.64 112.39 1i3u s THR 106 Ca 0.02 0.74 0.11 0.00 -1.18 0.00 0.00 61.69 61.37 1i3u s THR 106 Cb 0.02 -3.41 0.67 0.00 1.34 0.00 0.00 72.50 71.12 1i3u s THR 106 CO 0.08 -0.75 1.70 0.35 -0.54 0.00 0.00 174.62 175.46 1i3u n THR 107 N -2.74 2.79 -3.97 3.99 -2.24 -1.26 -4.86 114.28 105.99 1i3u n THR 107 Ca 0.08 -1.89 -0.09 0.00 -2.27 0.00 0.00 64.05 59.88 1i3u n THR 107 Cb 0.53 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 1i3u n THR 107 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1i3u s TRP 108 N -3.03 0.37 -1.40 4.78 1.48 -1.26 -4.97 118.94 114.90 1i3u s TRP 108 Ca 0.51 -0.72 0.00 0.00 -1.06 0.00 0.00 56.10 54.84 1i3u s TRP 108 Cb 0.42 0.10 0.00 0.00 -1.16 0.00 0.00 33.47 32.83 1i3u s TRP 108 CO 0.10 -0.88 0.00 0.41 -4.06 0.00 0.00 176.95 172.52 1i3u n GLY 109 N -0.32 1.36 0.37 3.67 0.00 -1.26 -4.93 105.19 104.07 1i3u n GLY 109 Ca -0.04 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1i3u n GLY 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i3u h GLY 110 N 0.00 0.75 1.28 -0.02 0.00 -1.95 -2.77 103.07 100.36 1i3u h GLY 110 Ca -0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1i3u h GLY 110 CO 0.40 0.09 0.40 3.43 0.00 0.00 0.00 176.54 180.85 1i3u h ASN 111 N 0.47 0.84 -3.23 0.19 4.21 -1.99 -3.41 115.58 112.67 1i3u h ASN 111 Ca 0.35 -0.06 -0.59 0.00 1.21 0.00 0.00 56.30 57.22 1i3u h ASN 111 Cb 0.71 -0.21 -0.07 0.00 -1.12 0.00 0.00 38.32 37.62 1i3u h ASN 111 CO -0.12 0.67 0.65 -0.62 -1.29 0.00 0.00 177.43 176.72 1i3u s ASP 112 N -6.42 6.93 0.56 5.81 -1.08 -1.05 -4.32 116.67 117.10 1i3u s ASP 112 Ca -0.11 1.13 0.28 0.00 -0.52 0.00 0.00 52.55 53.32 1i3u s ASP 112 Cb 0.17 -2.49 1.65 0.00 -1.46 0.00 0.00 42.92 40.79 1i3u s ASP 112 CO 0.79 -0.65 2.19 1.55 0.52 0.00 0.00 175.17 179.57 1i3u h PRO 113 N 7.71 0.00 0.00 4.34 0.13 -1.85 -1.76 132.00 140.58 1i3u h PRO 113 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1i3u h PRO 113 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1i3u h PRO 113 CO 0.94 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.84 1i3u n ASN 114 N -3.85 0.44 0.00 1.44 5.03 -1.26 -2.07 115.26 114.99 1i3u n ASN 114 Ca -0.03 0.63 0.13 0.00 0.87 0.00 0.00 54.58 56.18 1i3u n ASN 114 Cb 0.13 -0.72 0.37 0.00 -1.02 0.00 0.00 39.78 38.55 1i3u n ASN 114 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1i3u n ASN 115 N -2.01 0.34 -4.80 6.41 3.02 -0.66 -4.86 115.26 112.70 1i3u n ASN 115 Ca 0.02 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 1i3u n ASN 115 Cb 0.16 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 1i3u n ASN 115 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1i3u s TRP 116 N -3.00 3.75 -0.08 3.10 0.52 -0.88 -4.92 118.94 117.43 1i3u s TRP 116 Ca 0.12 1.19 -0.16 0.00 0.02 0.00 0.00 56.10 57.27 1i3u s TRP 116 Cb 0.18 -2.50 -0.12 0.00 -1.15 0.00 0.00 33.47 29.88 1i3u s TRP 116 CO 0.64 0.51 0.59 -0.91 0.02 0.00 0.00 176.95 177.80 1i3u h ASN 117 N 4.98 -0.14 -3.97 2.95 -0.26 -1.40 -3.48 115.58 114.27 1i3u h ASN 117 Ca -0.48 -0.33 -0.68 0.00 -0.56 0.00 0.00 56.30 54.25 1i3u h ASN 117 Cb 1.21 0.04 -0.22 0.00 -1.06 0.00 0.00 38.32 38.28 1i3u h ASN 117 CO 0.65 0.47 -0.87 -0.31 -1.06 0.00 0.00 177.43 176.31 1i3u s TYR 118 N -2.69 2.27 0.07 1.19 1.51 -0.96 -4.97 117.35 113.78 1i3u s TYR 118 Ca -0.10 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1i3u s TYR 118 Cb -0.00 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1i3u s TYR 118 CO 0.36 0.31 -0.11 -1.58 -1.11 0.00 0.00 175.55 173.41 1i3u s TRP 119 N -1.04 1.05 0.75 2.71 0.52 -1.26 -1.05 118.94 120.62 1i3u s TRP 119 Ca 0.13 -0.53 -0.08 0.00 0.02 0.00 0.00 56.10 55.64 1i3u s TRP 119 Cb -0.10 -0.59 0.08 0.00 -1.15 0.00 0.00 33.47 31.71 1i3u s TRP 119 CO 0.05 0.01 1.07 0.20 0.02 0.00 0.00 176.95 178.31 1i3u s GLY 120 N -1.95 1.69 0.45 0.98 0.00 -0.84 -4.47 107.32 103.18 1i3u s GLY 120 Ca -0.01 -0.97 0.24 0.00 0.00 0.00 0.00 44.72 43.99 1i3u s GLY 120 CO 0.01 -0.50 1.85 1.46 0.00 0.00 0.00 173.10 175.93 1i3u h GLN 121 N -0.78 0.00 0.00 2.90 1.08 -1.92 -3.45 115.11 112.93 1i3u h GLN 121 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1i3u h GLN 121 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1i3u h GLN 121 CO 0.57 0.21 0.00 0.41 -0.95 0.00 0.00 178.83 179.08 1i3u n GLY 122 N 0.07 2.41 2.86 3.46 0.00 -1.26 -5.04 105.19 107.69 1i3u n GLY 122 Ca -0.00 -1.87 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 1i3u n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3u s THR 123 N -2.72 0.43 0.21 2.61 2.01 -0.07 -4.82 115.64 113.29 1i3u s THR 123 Ca 0.00 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1i3u s THR 123 Cb 0.00 -0.48 -0.08 0.00 0.01 0.00 0.00 72.50 71.94 1i3u s THR 123 CO 0.00 0.21 1.05 -1.58 -0.69 0.00 0.00 174.62 173.61 1i3u s GLN 124 N 1.03 4.68 -0.15 4.92 2.00 -1.26 -0.07 119.66 130.79 1i3u s GLN 124 Ca -0.09 1.67 -0.00 0.00 -2.00 0.00 0.00 55.36 54.93 1i3u s GLN 124 Cb -0.14 -3.26 0.04 0.00 0.80 0.00 0.00 33.01 30.44 1i3u s GLN 124 CO -0.01 0.23 -0.07 0.08 -0.50 0.00 0.00 175.29 175.02 1i3u s VAL 125 N -0.69 1.15 -0.10 1.34 1.01 -0.45 0.04 120.40 122.70 1i3u s VAL 125 Ca 0.46 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1i3u s VAL 125 Cb -0.29 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 1i3u s VAL 125 CO 0.36 0.20 -0.24 -0.89 0.00 0.00 0.00 175.10 174.53 1i3u s THR 126 N 1.63 2.04 0.00 3.92 2.01 -0.95 -1.17 115.64 123.11 1i3u s THR 126 Ca 0.02 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1i3u s THR 126 Cb -0.15 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.60 1i3u s THR 126 CO -0.08 0.56 0.29 0.55 -0.69 0.00 0.00 174.62 175.25