#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3c n PRO 8 N 0.00 1.16 -2.41 0.54 -0.02 -1.26 -4.93 135.00 128.08 1i3c n PRO 8 Ca 0.00 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 1i3c n PRO 8 Cb 0.00 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 1i3c n PRO 8 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1i3c s LYS 9 N -2.38 4.53 -0.22 -0.52 -0.14 -0.71 -4.74 119.74 115.56 1i3c s LYS 9 Ca 0.69 1.84 -0.13 0.00 -1.36 0.00 0.00 55.97 57.00 1i3c s LYS 9 Cb -0.48 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.39 1i3c s LYS 9 CO 0.52 -0.01 0.29 0.08 -0.76 0.00 0.00 175.35 175.47 1i3c s VAL 10 N -0.28 5.27 -0.15 3.17 1.01 -1.26 -0.48 120.40 127.68 1i3c s VAL 10 Ca 0.51 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1i3c s VAL 10 Cb -0.32 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1i3c s VAL 10 CO 0.37 0.29 -0.16 -0.63 0.00 0.00 0.00 175.10 174.98 1i3c s ILE 11 N 1.22 2.67 -0.22 2.22 1.01 0.33 0.08 121.20 128.49 1i3c s ILE 11 Ca 0.14 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1i3c s ILE 11 Cb -0.14 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1i3c s ILE 11 CO 0.06 0.52 0.05 -0.22 0.00 0.00 0.00 174.94 175.35 1i3c s LEU 12 N 0.69 3.43 -0.19 2.97 2.96 -0.49 -0.51 118.68 127.54 1i3c s LEU 12 Ca -0.08 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1i3c s LEU 12 Cb -0.16 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1i3c s LEU 12 CO 0.02 0.03 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.79 1i3c s LEU 13 N 1.24 2.89 -0.43 -0.68 2.96 0.25 -0.30 118.68 124.61 1i3c s LEU 13 Ca 0.04 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 1i3c s LEU 13 Cb -0.15 -1.71 0.11 0.00 0.50 0.00 0.00 46.19 44.95 1i3c s LEU 13 CO 0.03 0.06 0.25 -0.69 -1.32 0.00 0.00 176.35 174.67 1i3c s VAL 14 N 1.01 3.64 -0.18 1.68 1.01 -0.02 -0.90 120.40 126.64 1i3c s VAL 14 Ca -0.00 -1.92 -0.11 0.00 0.00 0.00 0.00 61.98 59.95 1i3c s VAL 14 Cb -0.15 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 32.85 1i3c s VAL 14 CO -0.00 -0.70 0.45 -0.70 0.00 0.00 0.00 175.10 174.14 1i3c s GLU 15 N 1.23 0.44 0.04 2.72 2.56 -0.51 -2.37 118.70 122.82 1i3c s GLU 15 Ca 0.07 0.82 0.23 0.00 0.00 0.00 0.00 54.97 56.08 1i3c s GLU 15 Cb -0.24 0.03 -0.01 0.00 2.00 0.00 0.00 34.13 35.91 1i3c s GLU 15 CO -0.03 -0.15 0.97 -0.40 -0.56 0.00 0.00 175.26 175.10 1i3c n ASP 16 N 4.09 0.60 -4.65 -1.70 5.75 -1.26 -4.21 116.55 115.17 1i3c n ASP 16 Ca -0.22 -0.29 -0.43 0.00 -0.01 0.00 0.00 54.79 53.85 1i3c n ASP 16 Cb 0.56 0.92 -0.02 0.00 -1.03 0.00 0.00 41.12 41.54 1i3c n ASP 16 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1i3c s SER 17 N -3.85 6.98 0.11 -1.12 0.15 -1.26 -4.92 113.70 109.79 1i3c s SER 17 Ca 0.03 1.30 -0.19 0.00 0.70 0.00 0.00 55.95 57.79 1i3c s SER 17 Cb 0.15 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.85 1i3c s SER 17 CO 0.82 -0.79 1.73 0.11 1.20 0.00 0.00 173.24 176.30 1i3c h LYS 18 N 7.95 0.30 -0.61 5.44 1.79 -1.99 -0.65 116.57 128.81 1i3c h LYS 18 Ca -0.21 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.28 1i3c h LYS 18 Cb 1.07 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.60 1i3c h LYS 18 CO 1.00 0.26 0.32 0.00 -1.08 0.00 0.00 179.45 179.95 1i3c h ALA 19 N 1.02 0.80 -0.29 3.86 0.00 -1.99 0.77 119.26 123.43 1i3c h ALA 19 Ca 0.08 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1i3c h ALA 19 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1i3c h ALA 19 CO -0.01 -0.03 -0.53 -0.44 0.00 0.00 0.00 179.25 178.24 1i3c h ASP 20 N 0.59 0.95 -0.32 0.00 3.32 -1.92 -2.41 116.42 116.63 1i3c h ASP 20 Ca 0.28 -0.50 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 1i3c h ASP 20 Cb 0.20 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1i3c h ASP 20 CO -0.19 1.29 -0.40 0.77 -1.72 0.00 0.00 179.24 179.00 1i3c h SER 21 N 0.66 0.94 0.06 6.45 4.64 -0.84 -2.10 113.55 123.37 1i3c h SER 21 Ca 0.02 -0.43 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1i3c h SER 21 Cb 1.13 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1i3c h SER 21 CO 0.12 1.21 -0.13 0.03 -0.87 0.00 0.00 176.83 177.19 1i3c h ARG 22 N 0.72 0.15 -0.20 4.77 3.08 -0.85 -0.46 114.38 121.59 1i3c h ARG 22 Ca 0.06 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1i3c h ARG 22 Cb 0.98 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1i3c h ARG 22 CO 0.09 0.29 -0.07 1.25 -1.07 0.00 0.00 179.97 180.46 1i3c h LEU 23 N 0.15 0.41 -0.70 3.04 6.46 -1.14 -1.52 115.31 122.01 1i3c h LEU 23 Ca 0.03 -0.39 -0.00 0.00 -0.12 0.00 0.00 57.88 57.40 1i3c h LEU 23 Cb 0.33 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1i3c h LEU 23 CO 0.02 0.71 0.44 0.58 -0.62 0.00 0.00 178.44 179.56 1i3c h VAL 24 N 0.10 1.19 -0.60 1.05 2.07 -0.83 -1.29 116.25 117.95 1i3c h VAL 24 Ca 0.05 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1i3c h VAL 24 Cb 0.55 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1i3c h VAL 24 CO 0.02 0.20 0.37 1.56 0.02 0.00 0.00 177.57 179.74 1i3c h GLN 25 N 0.95 0.70 -0.39 1.57 4.20 -0.97 -1.38 115.11 119.79 1i3c h GLN 25 Ca 0.25 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1i3c h GLN 25 Cb -0.06 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1i3c h GLN 25 CO -0.05 0.46 0.23 1.49 -0.67 0.00 0.00 178.83 180.30 1i3c h GLU 26 N 0.72 0.52 0.02 1.46 4.57 -0.66 0.29 114.58 121.52 1i3c h GLU 26 Ca 0.24 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1i3c h GLU 26 Cb 0.02 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1i3c h GLU 26 CO -0.10 0.39 -0.01 0.28 -1.18 0.00 0.00 179.01 178.39 1i3c h VAL 27 N 0.51 0.99 0.00 0.32 2.07 -0.94 -2.36 116.25 116.84 1i3c h VAL 27 Ca 0.14 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1i3c h VAL 27 Cb 0.00 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1i3c h VAL 27 CO -0.03 0.01 -0.01 -0.07 0.02 0.00 0.00 177.57 177.50 1i3c h LEU 28 N -0.05 0.00 -0.88 2.57 3.38 -1.04 -3.09 115.31 116.20 1i3c h LEU 28 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1i3c h LEU 28 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1i3c h LEU 28 CO 0.00 0.01 0.57 0.50 0.09 0.00 0.00 178.44 179.61 1i3c h LYS 29 N 0.00 1.09 -0.45 1.13 3.64 0.15 -2.11 116.57 120.02 1i3c h LYS 29 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1i3c h LYS 29 Cb 0.40 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1i3c h LYS 29 CO 0.00 0.72 0.00 0.25 -2.27 0.00 0.00 179.45 178.15 1i3c n THR 30 N -4.52 0.59 -1.82 1.00 -2.24 -1.17 -4.95 114.28 101.17 1i3c n THR 30 Ca 0.11 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 1i3c n THR 30 Cb 0.07 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1i3c n THR 30 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i3c s SER 31 N -1.20 6.28 0.17 3.42 0.15 -0.80 -4.90 113.70 116.82 1i3c s SER 31 Ca 0.36 3.00 0.25 0.00 0.70 0.00 0.00 55.95 60.26 1i3c s SER 31 Cb 0.19 -2.66 0.52 0.00 -1.71 0.00 0.00 66.02 62.36 1i3c s SER 31 CO 0.26 -0.91 1.51 0.71 1.20 0.00 0.00 173.24 176.01 1i3c h THR 32 N 2.84 0.00 -3.39 6.45 1.35 -1.92 -3.44 112.91 114.79 1i3c h THR 32 Ca -0.51 -0.52 -0.59 0.00 -0.55 0.00 0.00 66.41 64.24 1i3c h THR 32 Cb 1.24 1.29 -0.09 0.00 -1.73 0.00 0.00 68.15 68.86 1i3c h THR 32 CO 0.64 0.00 0.19 -0.51 -0.25 0.00 0.00 175.52 175.58 1i3c s ILE 33 N -3.15 4.98 0.05 6.82 -1.16 -1.26 -5.01 121.20 122.48 1i3c s ILE 33 Ca 0.08 1.28 -0.30 0.00 -0.51 0.00 0.00 60.65 61.20 1i3c s ILE 33 Cb 0.12 -3.99 -0.09 0.00 0.61 0.00 0.00 42.46 39.12 1i3c s ILE 33 CO 0.67 0.08 1.86 -1.81 -2.81 0.00 0.00 174.94 172.93 1i3c s ASP 34 N 1.22 6.49 0.24 4.50 -0.00 -1.26 -4.95 116.67 122.91 1i3c s ASP 34 Ca 0.31 2.61 -0.10 0.00 -0.00 0.00 0.00 52.55 55.37 1i3c s ASP 34 Cb -0.16 -2.54 -0.01 0.00 -0.00 0.00 0.00 42.92 40.21 1i3c s ASP 34 CO 0.10 -1.01 0.40 -1.38 -0.00 0.00 0.00 175.17 173.29 1i3c s HIS 35 N 3.84 0.55 -0.16 4.23 -3.43 -1.26 -1.74 115.29 117.32 1i3c s HIS 35 Ca 0.83 -0.88 -0.00 0.00 -0.80 0.00 0.00 55.06 54.21 1i3c s HIS 35 Cb -0.42 0.02 0.03 0.00 -1.43 0.00 0.00 32.58 30.79 1i3c s HIS 35 CO 0.38 -0.92 -0.08 -1.21 -2.00 0.00 0.00 174.74 170.91 1i3c s GLU 36 N -4.03 1.71 -0.26 -0.38 0.41 0.37 -4.87 118.70 111.65 1i3c s GLU 36 Ca 0.26 -0.52 -0.13 0.00 -0.41 0.00 0.00 54.97 54.18 1i3c s GLU 36 Cb 0.01 -2.00 -0.05 0.00 -1.78 0.00 0.00 34.13 30.32 1i3c s GLU 36 CO 0.10 -0.36 0.26 -1.17 -0.49 0.00 0.00 175.26 173.60 1i3c s LEU 37 N 1.58 4.06 -0.17 1.80 2.96 -1.26 -0.52 118.68 127.14 1i3c s LEU 37 Ca 0.02 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1i3c s LEU 37 Cb -0.14 -2.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 1i3c s LEU 37 CO -0.08 -0.07 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.16 1i3c s ILE 38 N 1.64 3.22 -0.15 6.68 1.01 0.33 -4.98 121.20 128.95 1i3c s ILE 38 Ca 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1i3c s ILE 38 Cb -0.15 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1i3c s ILE 38 CO 0.09 0.49 -0.12 -0.63 0.00 0.00 0.00 174.94 174.77 1i3c s ILE 39 N 0.79 3.06 -0.00 2.92 1.01 -1.26 -0.59 121.20 127.13 1i3c s ILE 39 Ca -0.03 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.05 1i3c s ILE 39 Cb -0.15 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1i3c s ILE 39 CO 0.01 0.50 -0.25 -0.76 0.00 0.00 0.00 174.94 174.45 1i3c s LEU 40 N 0.67 2.16 0.00 2.97 1.43 -0.08 -4.99 118.68 120.84 1i3c s LEU 40 Ca -0.06 -0.48 0.24 0.00 -1.03 0.00 0.00 54.13 52.80 1i3c s LEU 40 Cb -0.15 -1.35 0.30 0.00 0.03 0.00 0.00 46.19 45.01 1i3c s LEU 40 CO 0.02 0.30 1.27 0.54 0.23 0.00 0.00 176.35 178.72 1i3c n ARG 41 N 2.20 0.74 -3.91 1.70 5.12 -1.26 -1.43 116.66 119.82 1i3c n ARG 41 Ca -0.16 -0.54 -0.09 0.00 -1.93 0.00 0.00 57.85 55.13 1i3c n ARG 41 Cb 0.51 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 30.26 1i3c n ARG 41 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1i3c s ASP 42 N -2.63 0.06 0.44 0.55 -4.77 -1.26 -4.00 116.67 105.05 1i3c s ASP 42 Ca 0.18 -0.77 0.19 0.00 -3.30 0.00 0.00 52.55 48.85 1i3c s ASP 42 Cb 0.18 0.40 1.03 0.00 -1.09 0.00 0.00 42.92 43.45 1i3c s ASP 42 CO 0.62 -0.83 1.93 1.23 0.70 0.00 0.00 175.17 178.82 1i3c h GLY 43 N 2.61 0.00 1.16 2.12 0.00 -1.60 -2.17 103.07 105.19 1i3c h GLY 43 Ca -0.33 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.78 1i3c h GLY 43 CO 0.51 0.00 -0.77 1.41 0.00 0.00 0.00 176.54 177.69 1i3c h LEU 44 N 0.00 0.94 -0.61 3.11 3.38 -1.84 -3.10 115.31 117.19 1i3c h LEU 44 Ca -0.00 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.25 1i3c h LEU 44 Cb 0.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1i3c h LEU 44 CO 0.03 1.42 0.03 0.00 0.09 0.00 0.00 178.44 180.01 1i3c h ALA 45 N 0.54 0.81 0.00 1.53 0.00 -1.93 -2.04 119.26 118.18 1i3c h ALA 45 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1i3c h ALA 45 Cb 1.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1i3c h ALA 45 CO 0.16 0.63 0.00 0.00 0.00 0.00 0.00 179.25 180.04 1i3c n ALA 46 N -2.47 1.00 0.00 0.00 0.00 -0.83 -1.12 120.51 117.09 1i3c n ALA 46 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1i3c n ALA 46 Cb 0.33 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1i3c n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i3c n ALA 48 N 0.35 0.00 0.01 0.00 0.00 -0.77 -1.36 120.51 118.74 1i3c n ALA 48 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1i3c n ALA 48 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1i3c n ALA 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1i3c h PHE 49 N 0.00 0.03 -0.43 0.00 3.57 -1.38 -0.96 116.94 117.76 1i3c h PHE 49 Ca 0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1i3c h PHE 49 Cb 0.00 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1i3c h PHE 49 CO 0.00 0.26 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.19 1i3c h LEU 50 N -0.21 0.74 -0.12 0.59 3.38 -1.47 -2.20 115.31 116.03 1i3c h LEU 50 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1i3c h LEU 50 Cb 0.24 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1i3c h LEU 50 CO 0.00 0.85 -0.06 0.00 0.09 0.00 0.00 178.44 179.32 1i3c n GLN 51 N -4.18 0.57 -3.77 1.13 6.02 -1.21 -4.93 117.38 111.01 1i3c n GLN 51 Ca 0.02 -0.12 -0.25 0.00 -0.01 0.00 0.00 57.00 56.64 1i3c n GLN 51 Cb 0.34 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.12 1i3c n GLN 51 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1i3c n GLN 52 N -1.11 -3.38 -3.36 -1.09 6.02 -0.51 -4.95 117.38 108.99 1i3c n GLN 52 Ca 0.14 0.51 -0.38 0.00 -0.01 0.00 0.00 57.00 57.27 1i3c n GLN 52 Cb 0.26 -4.73 -0.06 0.00 1.02 0.00 0.00 30.24 26.73 1i3c n GLN 52 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1i3c s GLN 53 N -6.12 4.08 2.73 -1.09 -1.52 -0.48 -3.60 119.66 113.66 1i3c s GLN 53 Ca 0.13 0.59 0.00 0.00 -1.95 0.00 0.00 55.36 54.13 1i3c s GLN 53 Cb -0.04 -3.18 0.00 0.00 -0.22 0.00 0.00 33.01 29.57 1i3c s GLN 53 CO 0.85 0.63 0.00 0.41 -0.25 0.00 0.00 175.29 176.92 1i3c n GLY 54 N 1.58 2.76 0.10 3.09 0.00 -1.26 -0.61 105.19 110.84 1i3c n GLY 54 Ca -0.10 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1i3c n GLY 54 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i3c n GLU 55 N 12.29 0.10 -0.25 1.61 4.71 -1.26 -1.38 120.64 136.46 1i3c n GLU 55 Ca 0.00 0.53 0.10 0.00 -0.01 0.00 0.00 57.16 57.79 1i3c n GLU 55 Cb 0.00 -1.78 0.26 0.00 -1.01 0.00 0.00 31.44 28.92 1i3c n GLU 55 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1i3c n TYR 56 N -1.97 0.65 0.01 -0.32 4.02 0.22 -4.48 117.16 115.27 1i3c n TYR 56 Ca -0.00 -0.32 0.22 0.00 -0.01 0.00 0.00 57.90 57.78 1i3c n TYR 56 Cb 0.07 0.00 0.72 0.00 -0.02 0.00 0.00 39.34 40.11 1i3c n TYR 56 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1i3c h GLU 57 N 3.53 0.00 -0.69 -0.72 5.08 -1.28 0.25 114.58 120.75 1i3c h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i3c h GLU 57 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1i3c h GLU 57 CO 0.00 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.30 1i3c n ASN 58 N -4.14 3.87 -4.77 1.42 5.15 -1.26 -4.95 115.26 110.58 1i3c n ASN 58 Ca 0.10 -2.08 -0.41 0.00 -0.60 0.00 0.00 54.58 51.60 1i3c n ASN 58 Cb 0.66 -0.48 -0.01 0.00 -0.53 0.00 0.00 39.78 39.41 1i3c n ASN 58 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1i3c s SER 59 N -0.98 6.60 0.45 1.20 0.01 0.08 -4.98 113.70 116.08 1i3c s SER 59 Ca 0.47 2.83 -0.22 0.00 1.31 0.00 0.00 55.95 60.34 1i3c s SER 59 Cb 0.26 -2.66 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 1i3c s SER 59 CO 0.30 -0.67 1.07 -2.16 0.41 0.00 0.00 173.24 172.19 1i3c s PRO 60 N -1.85 3.91 -0.08 12.44 0.04 -1.26 -5.00 135.00 143.20 1i3c s PRO 60 Ca 0.51 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1i3c s PRO 60 Cb -0.42 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 1i3c s PRO 60 CO 0.56 -0.36 1.03 0.50 0.04 0.00 0.00 177.00 178.77 1i3c s ARG 61 N -2.83 4.43 0.44 4.56 3.52 -1.26 -4.99 118.95 122.82 1i3c s ARG 61 Ca 0.63 1.43 -0.23 0.00 -0.13 0.00 0.00 55.73 57.43 1i3c s ARG 61 Cb -0.21 -3.53 -0.08 0.00 -1.56 0.00 0.00 34.95 29.56 1i3c s ARG 61 CO 0.26 -0.29 1.07 -2.14 -0.81 0.00 0.00 175.30 173.40 1i3c s PRO 62 N 1.88 3.95 0.17 5.12 0.02 -1.26 -4.73 135.00 140.14 1i3c s PRO 62 Ca 0.50 1.53 0.23 0.00 0.02 0.00 0.00 61.00 63.28 1i3c s PRO 62 Cb -0.19 -2.37 0.04 0.00 0.02 0.00 0.00 34.50 31.99 1i3c s PRO 62 CO 0.20 -0.34 1.06 0.09 -0.33 0.00 0.00 177.00 177.68 1i3c n ASN 63 N -0.45 0.77 -3.70 2.53 4.13 0.11 -4.91 115.26 113.74 1i3c n ASN 63 Ca 0.07 0.24 -0.14 0.00 1.68 0.00 0.00 54.58 56.43 1i3c n ASN 63 Cb 0.50 0.50 -0.09 0.00 -1.54 0.00 0.00 39.78 39.15 1i3c n ASN 63 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1i3c s LEU 64 N -5.04 0.20 -0.10 3.41 2.96 -1.06 -4.32 118.68 114.74 1i3c s LEU 64 Ca 0.00 0.82 0.03 0.00 -0.22 0.00 0.00 54.13 54.76 1i3c s LEU 64 Cb 0.11 1.66 0.01 0.00 0.50 0.00 0.00 46.19 48.47 1i3c s LEU 64 CO 0.79 -0.24 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.77 1i3c s ILE 65 N -0.09 1.60 -0.22 6.68 1.01 -0.66 -1.39 121.20 128.11 1i3c s ILE 65 Ca -0.03 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 1i3c s ILE 65 Cb -0.03 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1i3c s ILE 65 CO 0.02 0.46 0.03 -0.76 0.00 0.00 0.00 174.94 174.69 1i3c s LEU 66 N 0.69 3.33 -0.05 2.97 1.02 0.59 -0.20 118.68 127.04 1i3c s LEU 66 Ca -0.13 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 53.83 1i3c s LEU 66 Cb -0.16 -1.87 0.02 0.00 0.02 0.00 0.00 46.19 44.20 1i3c s LEU 66 CO 0.03 0.02 -0.08 -0.22 0.02 0.00 0.00 176.35 176.12 1i3c s LEU 67 N 1.30 1.52 -0.14 1.79 2.96 0.15 -0.84 118.68 125.41 1i3c s LEU 67 Ca 0.04 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.62 1i3c s LEU 67 Cb -0.15 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.92 1i3c s LEU 67 CO 0.02 -0.00 0.34 -0.62 -1.32 0.00 0.00 176.35 174.76 1i3c s ASP 68 N 0.69 6.51 0.49 3.68 -1.08 -1.00 -0.95 116.67 125.01 1i3c s ASP 68 Ca -0.11 0.60 0.24 0.00 -0.52 0.00 0.00 52.55 52.76 1i3c s ASP 68 Cb -0.14 -2.21 1.25 0.00 -1.46 0.00 0.00 42.92 40.36 1i3c s ASP 68 CO 0.01 0.09 1.99 -0.07 0.52 0.00 0.00 175.17 177.72 1i3c h LEU 69 N 6.55 0.00 -8.27 -1.34 3.38 -1.86 -3.40 115.31 110.38 1i3c h LEU 69 Ca -0.42 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 56.83 1i3c h LEU 69 Cb 1.17 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.71 1i3c h LEU 69 CO 0.75 0.17 -0.10 0.20 0.09 0.00 0.00 178.44 179.55 1i3c s ASN 70 N -6.30 6.19 0.08 -0.43 0.01 -1.26 -0.44 114.94 112.78 1i3c s ASN 70 Ca -0.02 -1.29 0.01 0.00 -0.71 0.00 0.00 52.86 50.85 1i3c s ASN 70 Cb 0.13 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1i3c s ASN 70 CO 0.62 -0.85 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.54 1i3c s LEU 71 N 2.16 2.46 0.72 0.60 1.43 -1.26 -4.81 118.68 119.98 1i3c s LEU 71 Ca 0.09 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1i3c s LEU 71 Cb -0.23 -0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.00 1i3c s LEU 71 CO 0.08 -0.46 1.10 -2.84 0.23 0.00 0.00 176.35 174.46 1i3c s PRO 72 N -3.46 2.72 0.00 1.29 0.02 -1.26 -4.27 135.00 130.03 1i3c s PRO 72 Ca 0.07 0.50 0.00 0.00 0.02 0.00 0.00 61.00 61.58 1i3c s PRO 72 Cb 0.03 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1i3c s PRO 72 CO -0.05 -1.14 0.00 1.63 -0.33 0.00 0.00 177.00 177.10 1i3c n LYS 73 N -3.09 0.00 -3.66 5.54 4.76 -1.26 -2.54 118.16 117.91 1i3c n LYS 73 Ca 0.07 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.44 1i3c n LYS 73 Cb 0.57 -0.39 -0.08 0.00 -1.84 0.00 0.00 35.03 33.29 1i3c n LYS 73 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1i3c s LYS 74 N 0.00 0.46 0.08 1.97 2.20 -1.26 -4.78 119.74 118.41 1i3c s LYS 74 Ca 0.00 1.14 -0.36 0.00 -0.36 0.00 0.00 55.97 56.38 1i3c s LYS 74 Cb 0.00 0.39 -0.16 0.00 -1.51 0.00 0.00 37.83 36.55 1i3c s LYS 74 CO 0.00 -0.20 1.41 -3.47 -0.36 0.00 0.00 175.35 172.72 1i3c n ASP 75 N 5.04 1.96 0.32 1.43 -0.08 -1.26 -3.86 116.55 120.09 1i3c n ASP 75 Ca -0.14 1.11 0.21 0.00 -1.51 0.00 0.00 54.79 54.46 1i3c n ASP 75 Cb 0.52 -1.23 1.05 0.00 2.34 0.00 0.00 41.12 43.79 1i3c n ASP 75 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1i3c h GLY 76 N 4.99 0.00 1.84 0.27 0.00 -0.96 0.15 103.07 109.37 1i3c h GLY 76 Ca -0.47 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1i3c h GLY 76 CO 0.81 0.00 -0.46 3.21 0.00 0.00 0.00 176.54 180.10 1i3c h ARG 77 N 0.00 0.17 0.01 4.80 3.08 -1.86 -0.43 114.38 120.15 1i3c h ARG 77 Ca 0.00 -0.09 -0.26 0.00 0.07 0.00 0.00 59.98 59.71 1i3c h ARG 77 Cb 0.15 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.22 1i3c h ARG 77 CO 0.00 0.60 -1.03 0.93 -1.07 0.00 0.00 179.97 179.40 1i3c h GLU 78 N 0.14 0.58 -0.26 0.04 5.08 -1.34 -2.47 114.58 116.35 1i3c h GLU 78 Ca 0.01 -0.65 0.01 0.00 -1.00 0.00 0.00 59.36 57.73 1i3c h GLU 78 Cb 0.87 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1i3c h GLU 78 CO 0.07 1.25 0.15 0.28 -1.00 0.00 0.00 179.01 179.76 1i3c h VAL 79 N 0.32 1.02 0.12 3.13 2.07 -1.13 0.09 116.25 121.88 1i3c h VAL 79 Ca -0.12 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1i3c h VAL 79 Cb 1.68 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1i3c h VAL 79 CO 0.19 0.06 -0.17 0.25 0.02 0.00 0.00 177.57 177.92 1i3c h LEU 80 N 0.31 -0.46 -0.29 2.57 5.85 -1.09 -0.19 115.31 122.01 1i3c h LEU 80 Ca 0.10 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1i3c h LEU 80 Cb 0.00 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1i3c h LEU 80 CO -0.05 -0.24 0.07 0.00 -0.34 0.00 0.00 178.44 177.87 1i3c h ALA 81 N 0.49 0.31 -0.16 1.25 0.00 -1.20 -1.09 119.26 118.87 1i3c h ALA 81 Ca 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1i3c h ALA 81 Cb 0.34 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1i3c h ALA 81 CO -0.08 -0.34 -0.23 0.93 0.00 0.00 0.00 179.25 179.53 1i3c h GLU 82 N 0.18 0.28 -0.09 0.00 5.08 -0.82 -2.11 114.58 117.12 1i3c h GLU 82 Ca 0.13 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1i3c h GLU 82 Cb 0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1i3c h GLU 82 CO -0.16 0.51 -0.08 0.82 -1.00 0.00 0.00 179.01 179.09 1i3c h ILE 83 N 0.26 1.36 0.00 3.13 2.04 -0.67 -3.01 117.51 120.62 1i3c h ILE 83 Ca 0.04 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1i3c h ILE 83 Cb 0.56 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1i3c h ILE 83 CO 0.04 0.34 0.00 0.29 0.00 0.00 0.00 178.15 178.82 1i3c n LYS 84 N -4.68 0.05 0.00 2.37 4.76 -0.44 -2.62 118.16 117.59 1i3c n LYS 84 Ca -0.07 0.24 0.08 0.00 -2.87 0.00 0.00 58.31 55.69 1i3c n LYS 84 Cb 0.31 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 1i3c n LYS 84 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1i3c n GLN 85 N -1.68 1.55 -3.01 1.97 6.02 -0.81 -4.67 117.38 116.76 1i3c n GLN 85 Ca 0.04 -0.60 -0.43 0.00 -0.01 0.00 0.00 57.00 56.00 1i3c n GLN 85 Cb 0.22 -1.31 -0.06 0.00 1.02 0.00 0.00 30.24 30.11 1i3c n GLN 85 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1i3c s ASN 86 N -2.19 6.44 0.58 1.08 3.84 -1.10 -4.95 114.94 118.63 1i3c s ASN 86 Ca 0.12 0.03 0.29 0.00 0.21 0.00 0.00 52.86 53.51 1i3c s ASN 86 Cb 0.14 -2.37 1.45 0.00 -0.55 0.00 0.00 41.25 39.91 1i3c s ASN 86 CO 0.52 -0.79 1.86 1.55 -2.79 0.00 0.00 177.10 177.44 1i3c h PRO 87 N 8.74 0.00 0.00 0.43 0.13 -1.90 0.29 132.00 139.69 1i3c h PRO 87 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1i3c h PRO 87 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i3c h PRO 87 CO 0.92 0.00 -0.44 -0.25 -0.23 0.00 0.00 178.00 178.00 1i3c n ASP 88 N -3.79 0.54 0.00 1.44 8.00 -1.26 -4.39 116.55 117.09 1i3c n ASP 88 Ca 0.11 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1i3c n ASP 88 Cb 0.78 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1i3c n ASP 88 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1i3c n LEU 89 N -1.82 0.00 0.32 0.64 4.77 0.42 -4.79 117.00 116.54 1i3c n LEU 89 Ca 0.05 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.18 1i3c n LEU 89 Cb 0.39 0.00 0.84 0.00 -2.33 0.00 0.00 43.42 42.32 1i3c n LEU 89 CO 0.34 0.00 1.10 0.07 -1.33 0.00 0.00 177.39 177.57 1i3c h LYS 90 N 0.00 0.00 0.00 3.23 2.10 -0.33 -1.13 116.57 120.44 1i3c h LYS 90 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1i3c h LYS 90 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1i3c h LYS 90 CO 0.00 0.00 -0.35 -0.09 -2.00 0.00 0.00 179.45 177.01 1i3c h ARG 91 N 0.00 0.00 -6.36 0.07 2.43 -1.84 -3.45 114.38 105.22 1i3c h ARG 91 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 1i3c h ARG 91 Cb 0.54 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1i3c h ARG 91 CO 0.00 0.35 0.80 0.42 -1.51 0.00 0.00 179.97 180.02 1i3c s ILE 92 N -3.27 3.85 0.22 1.20 1.01 -0.43 -4.86 121.20 118.91 1i3c s ILE 92 Ca 0.03 1.22 -0.31 0.00 0.00 0.00 0.00 60.65 61.59 1i3c s ILE 92 Cb 0.08 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 1i3c s ILE 92 CO 0.70 -0.00 1.57 -2.84 0.00 0.00 0.00 174.94 174.36 1i3c s PRO 93 N 2.32 4.19 -0.18 2.79 0.02 -1.26 -4.90 135.00 137.99 1i3c s PRO 93 Ca 0.62 2.43 -0.00 0.00 0.02 0.00 0.00 61.00 64.06 1i3c s PRO 93 Cb -0.30 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1i3c s PRO 93 CO 0.25 -0.59 -0.14 0.08 -0.33 0.00 0.00 177.00 176.27 1i3c s VAL 94 N 0.65 2.64 -0.33 3.83 1.01 -1.26 -1.66 120.40 125.28 1i3c s VAL 94 Ca 0.67 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1i3c s VAL 94 Cb -0.45 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 33.82 1i3c s VAL 94 CO 0.38 0.50 0.12 -0.69 0.00 0.00 0.00 175.10 175.41 1i3c s VAL 95 N 1.08 4.03 0.05 2.92 1.01 0.72 -1.94 120.40 128.27 1i3c s VAL 95 Ca -0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1i3c s VAL 95 Cb -0.14 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1i3c s VAL 95 CO -0.04 -0.10 0.88 -0.69 0.00 0.00 0.00 175.10 175.15 1i3c s VAL 96 N 1.47 4.71 -0.27 2.92 1.01 -0.58 -0.68 120.40 128.98 1i3c s VAL 96 Ca 0.01 1.87 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 1i3c s VAL 96 Cb -0.19 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.05 1i3c s VAL 96 CO 0.04 0.29 0.08 -0.22 0.00 0.00 0.00 175.10 175.29 1i3c s LEU 97 N 0.28 1.68 0.17 3.92 2.96 -0.12 -0.31 118.68 127.26 1i3c s LEU 97 Ca 0.44 -1.34 -0.05 0.00 -0.22 0.00 0.00 54.13 52.97 1i3c s LEU 97 Cb -0.21 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1i3c s LEU 97 CO 0.26 -0.38 0.19 0.28 -1.32 0.00 0.00 176.35 175.38 1i3c s THR 98 N 1.76 0.05 0.10 3.68 -1.32 -0.21 -3.93 115.64 115.77 1i3c s THR 98 Ca 0.06 -1.72 0.07 0.00 -1.21 0.00 0.00 61.69 58.89 1i3c s THR 98 Cb -0.17 -2.12 -0.22 0.00 -1.51 0.00 0.00 72.50 68.49 1i3c s THR 98 CO -0.22 -0.25 1.22 0.74 -2.21 0.00 0.00 174.62 173.91 1i3c h THR 99 N 2.64 1.64 -3.48 5.08 2.02 -1.89 0.39 112.91 119.31 1i3c h THR 99 Ca -0.33 -3.35 -0.55 0.00 0.77 0.00 0.00 66.41 62.95 1i3c h THR 99 Cb 1.23 2.82 0.10 0.00 -1.74 0.00 0.00 68.15 70.56 1i3c h THR 99 CO 0.52 0.94 0.69 -1.20 0.37 0.00 0.00 175.52 176.83 1i3c n SER 100 N -3.34 3.35 0.00 4.18 7.64 -1.26 -4.79 113.62 119.41 1i3c n SER 100 Ca -0.02 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1i3c n SER 100 Cb 0.95 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1i3c n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i3c n HIS 101 N 0.83 0.00 -1.76 1.43 1.44 -1.26 -4.77 115.22 111.13 1i3c n HIS 101 Ca 0.05 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.36 1i3c n HIS 101 Cb 0.37 0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.51 1i3c n HIS 101 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1i3c n ASN 102 N 0.00 3.21 -0.34 4.39 0.23 -1.26 -4.81 115.26 116.68 1i3c n ASN 102 Ca 0.00 1.10 0.10 0.00 -0.53 0.00 0.00 54.58 55.25 1i3c n ASN 102 Cb 0.22 -1.60 0.30 0.00 -2.08 0.00 0.00 39.78 36.62 1i3c n ASN 102 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1i3c h GLU 103 N 2.17 0.83 -0.80 -3.83 4.81 -1.99 -1.85 114.58 113.91 1i3c h GLU 103 Ca -0.51 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 1i3c h GLU 103 Cb 1.27 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1i3c h GLU 103 CO 0.60 0.55 0.45 -0.44 -0.73 0.00 0.00 179.01 179.44 1i3c h ASP 104 N 0.85 0.99 -0.48 1.04 3.45 -2.00 -1.04 116.42 119.24 1i3c h ASP 104 Ca 0.51 -0.09 -0.12 0.00 0.43 0.00 0.00 57.03 57.77 1i3c h ASP 104 Cb 0.68 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 1i3c h ASP 104 CO -0.29 0.79 -0.16 0.44 -1.57 0.00 0.00 179.24 178.45 1i3c h ASP 105 N 1.11 0.97 0.18 6.45 3.32 -1.72 -1.88 116.42 124.86 1i3c h ASP 105 Ca 0.28 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1i3c h ASP 105 Cb 0.01 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1i3c h ASP 105 CO -0.05 1.13 -0.09 0.58 -1.72 0.00 0.00 179.24 179.09 1i3c h VAL 106 N 0.81 0.86 -0.04 -1.35 2.07 -1.07 -1.26 116.25 116.27 1i3c h VAL 106 Ca 0.12 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1i3c h VAL 106 Cb 0.73 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1i3c h VAL 106 CO 0.06 0.05 -0.01 0.40 0.02 0.00 0.00 177.57 178.09 1i3c h ILE 107 N -0.35 0.97 -0.94 4.57 2.04 -1.20 -1.81 117.51 120.78 1i3c h ILE 107 Ca -0.03 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.91 1i3c h ILE 107 Cb 0.27 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1i3c h ILE 107 CO 0.04 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.80 1i3c h ALA 108 N 1.04 1.51 -0.48 1.87 0.00 -1.30 0.61 119.26 122.50 1i3c h ALA 108 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1i3c h ALA 108 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1i3c h ALA 108 CO -0.04 0.33 0.06 0.77 0.00 0.00 0.00 179.25 180.38 1i3c h SER 109 N 1.04 0.78 0.59 0.00 0.02 -0.79 -0.79 113.55 114.40 1i3c h SER 109 Ca 0.41 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1i3c h SER 109 Cb 0.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1i3c h SER 109 CO -0.17 0.86 -0.49 1.88 -1.14 0.00 0.00 176.83 177.77 1i3c h TYR 110 N 0.68 0.00 -0.31 3.45 -1.99 -0.70 -2.13 116.97 115.97 1i3c h TYR 110 Ca 0.14 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.80 1i3c h TYR 110 Cb 0.42 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 1i3c h TYR 110 CO 0.03 0.49 -0.13 0.93 -0.00 0.00 0.00 178.16 179.48 1i3c h GLU 111 N 0.00 0.53 0.00 4.88 4.39 -0.39 -0.88 114.58 123.11 1i3c h GLU 111 Ca -0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1i3c h GLU 111 Cb 0.91 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1i3c h GLU 111 CO 0.06 0.65 0.00 1.28 -1.16 0.00 0.00 179.01 179.84 1i3c n LEU 112 N -4.19 0.00 -0.64 1.33 4.77 -0.35 -4.89 117.00 113.03 1i3c n LEU 112 Ca 0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 1i3c n LEU 112 Cb 0.33 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1i3c n LEU 112 CO 0.41 0.00 -0.07 1.41 -1.33 0.00 0.00 177.39 177.80 1i3c n HIS 113 N -0.68 -0.23 -1.93 -1.77 8.25 -0.33 -4.76 115.22 113.76 1i3c n HIS 113 Ca 0.09 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.15 1i3c n HIS 113 Cb 0.04 -1.76 0.00 0.00 1.12 0.00 0.00 29.99 29.39 1i3c n HIS 113 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1i3c s VAL 114 N -2.28 2.35 0.15 1.59 0.11 -0.84 -4.90 120.40 116.57 1i3c s VAL 114 Ca 0.00 0.31 -0.10 0.00 -2.93 0.00 0.00 61.98 59.26 1i3c s VAL 114 Cb 0.00 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.65 1i3c s VAL 114 CO 0.00 0.05 1.52 0.78 -3.33 0.00 0.00 175.10 174.12 1i3c h ASN 115 N 2.58 1.02 -5.00 3.54 4.21 -1.74 -3.44 115.58 116.74 1i3c h ASN 115 Ca -0.50 -0.42 -0.06 0.00 1.21 0.00 0.00 56.30 56.52 1i3c h ASN 115 Cb 1.25 -0.28 -0.18 0.00 -1.12 0.00 0.00 38.32 37.99 1i3c h ASN 115 CO 0.62 1.23 0.11 0.00 -1.29 0.00 0.00 177.43 178.10 1i3c s TYR 117 N -1.81 2.75 -0.05 0.00 5.04 -1.26 -1.53 117.35 120.49 1i3c s TYR 117 Ca -0.08 -1.18 0.05 0.00 -2.44 0.00 0.00 57.07 53.41 1i3c s TYR 117 Cb -0.01 -1.87 -0.00 0.00 0.35 0.00 0.00 41.96 40.42 1i3c s TYR 117 CO 0.04 -0.55 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.00 1i3c s LEU 118 N 0.87 1.95 -0.31 6.97 1.02 0.58 -4.97 118.68 124.79 1i3c s LEU 118 Ca -0.05 -0.40 -0.13 0.00 0.02 0.00 0.00 54.13 53.58 1i3c s LEU 118 Cb -0.15 -1.08 -0.03 0.00 0.02 0.00 0.00 46.19 44.95 1i3c s LEU 118 CO -0.02 0.17 0.26 -0.89 0.02 0.00 0.00 176.35 175.89 1i3c s THR 119 N 0.01 5.26 0.17 5.49 2.01 -1.26 -1.05 115.64 126.27 1i3c s THR 119 Ca -0.04 0.08 -0.33 0.00 0.31 0.00 0.00 61.69 61.70 1i3c s THR 119 Cb -0.12 -3.65 -0.15 0.00 0.01 0.00 0.00 72.50 68.58 1i3c s THR 119 CO 0.03 0.10 1.33 0.29 -0.69 0.00 0.00 174.62 175.68 1i3c n LYS 120 N 5.16 1.53 -1.49 4.92 5.02 0.14 -4.89 118.16 128.54 1i3c n LYS 120 Ca -0.12 0.55 -0.36 0.00 -2.02 0.00 0.00 58.31 56.36 1i3c n LYS 120 Cb 0.51 -2.16 0.09 0.00 -0.02 0.00 0.00 35.03 33.45 1i3c n LYS 120 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1i3c n SER 121 N 2.39 1.65 0.28 4.39 7.64 -1.26 -4.86 113.62 123.85 1i3c n SER 121 Ca 0.15 0.74 0.16 0.00 1.01 0.00 0.00 58.87 60.93 1i3c n SER 121 Cb 0.26 -1.54 0.74 0.00 -1.01 0.00 0.00 64.21 62.66 1i3c n SER 121 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1i3c h ARG 122 N -0.01 0.00 -6.52 1.43 3.08 -1.97 -3.43 114.38 106.96 1i3c h ARG 122 Ca -0.49 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 58.89 1i3c h ARG 122 Cb 1.33 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.10 1i3c h ARG 122 CO 0.50 0.06 -0.87 -0.80 -1.07 0.00 0.00 179.97 177.79 1i3c s ASN 123 N -5.77 2.94 0.40 7.04 0.01 -1.26 -5.03 114.94 113.27 1i3c s ASN 123 Ca -0.00 -0.53 0.07 0.00 -0.71 0.00 0.00 52.86 51.68 1i3c s ASN 123 Cb 0.10 -0.28 0.81 0.00 0.41 0.00 0.00 41.25 42.29 1i3c s ASN 123 CO 0.55 0.25 2.02 -0.07 -1.51 0.00 0.00 177.10 178.34 1i3c h LEU 124 N 5.04 0.46 -0.76 0.60 3.38 -1.99 -1.03 115.31 121.02 1i3c h LEU 124 Ca -0.44 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.58 1i3c h LEU 124 Cb 1.14 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1i3c h LEU 124 CO 0.45 0.38 0.41 0.50 0.09 0.00 0.00 178.44 180.27 1i3c h LYS 125 N 0.52 0.68 0.04 1.13 3.64 -1.97 0.12 116.57 120.74 1i3c h LYS 125 Ca 0.13 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.25 1i3c h LYS 125 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1i3c h LYS 125 CO -0.02 0.45 -1.02 -0.44 -2.27 0.00 0.00 179.45 176.16 1i3c h ASP 126 N 0.71 0.20 -0.33 4.20 3.32 -1.75 -3.17 116.42 119.60 1i3c h ASP 126 Ca 0.36 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1i3c h ASP 126 Cb 0.33 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1i3c h ASP 126 CO -0.24 1.09 0.04 0.25 -1.72 0.00 0.00 179.24 178.66 1i3c h LEU 127 N 0.06 0.62 -0.30 1.55 5.85 -0.39 -2.32 115.31 120.38 1i3c h LEU 127 Ca -0.06 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1i3c h LEU 127 Cb 1.72 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 1i3c h LEU 127 CO 0.15 0.66 0.12 0.15 -0.34 0.00 0.00 178.44 179.18 1i3c h PHE 128 N 0.63 0.22 0.00 1.25 3.57 -0.76 0.31 116.94 122.16 1i3c h PHE 128 Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1i3c h PHE 128 Cb 0.33 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1i3c h PHE 128 CO 0.01 0.11 0.00 1.63 -2.23 0.00 0.00 178.31 177.84 1i3c n LYS 129 N -5.00 0.38 0.00 1.11 5.02 -0.87 -1.47 118.16 117.32 1i3c n LYS 129 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1i3c n LYS 129 Cb 0.09 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1i3c n LYS 129 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1i3c n VAL 131 N 0.97 0.00 -0.11 -0.18 0.31 0.10 -1.33 118.33 118.09 1i3c n VAL 131 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1i3c n VAL 131 Cb 0.19 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.28 1i3c n VAL 131 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1i3c h GLN 132 N 0.00 0.79 -0.46 5.55 4.20 -1.50 -1.00 115.11 122.70 1i3c h GLN 132 Ca 0.00 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.41 1i3c h GLN 132 Cb 0.00 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1i3c h GLN 132 CO 0.00 0.80 -0.07 0.78 -0.67 0.00 0.00 178.83 179.67 1i3c h GLY 133 N 0.97 0.87 0.91 3.46 0.00 -1.48 -0.85 103.07 106.96 1i3c h GLY 133 Ca 0.15 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1i3c h GLY 133 CO 0.02 0.59 0.08 -2.22 0.00 0.00 0.00 176.54 175.01 1i3c h ILE 134 N 0.74 1.22 0.06 2.60 2.04 -1.70 -1.62 117.51 120.86 1i3c h ILE 134 Ca 0.13 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1i3c h ILE 134 Cb 0.55 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1i3c h ILE 134 CO 0.03 0.26 -0.03 -0.08 0.00 0.00 0.00 178.15 178.33 1i3c h GLU 135 N 0.41 -0.08 -0.85 2.37 4.22 -0.95 -0.99 114.58 118.71 1i3c h GLU 135 Ca 0.11 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.52 1i3c h GLU 135 Cb 0.31 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1i3c h GLU 135 CO 0.00 0.02 0.41 0.66 -2.18 0.00 0.00 179.01 177.92 1i3c h SER 136 N -0.17 1.12 0.08 1.04 4.64 -1.13 -0.56 113.55 118.57 1i3c h SER 136 Ca -0.01 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1i3c h SER 136 Cb 0.14 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1i3c h SER 136 CO 0.01 0.95 -0.04 0.15 -0.87 0.00 0.00 176.83 177.03 1i3c h PHE 137 N 1.22 -0.10 0.00 4.77 3.57 -1.22 -2.38 116.94 122.79 1i3c h PHE 137 Ca 0.29 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 1i3c h PHE 137 Cb 0.12 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1i3c h PHE 137 CO 0.02 0.39 -0.57 -1.49 -2.23 0.00 0.00 178.31 174.43 1i3c h TRP 138 N -0.93 0.00 0.00 0.41 4.06 -1.26 0.43 115.95 118.67 1i3c h TRP 138 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1i3c h TRP 138 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.70 1i3c h TRP 138 CO 0.12 0.57 -1.35 1.28 -3.56 0.00 0.00 178.44 175.49 1i3c n LEU 139 N -3.41 0.52 0.00 -4.49 4.77 -0.22 -4.41 117.00 109.75 1i3c n LEU 139 Ca 0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1i3c n LEU 139 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1i3c n LEU 139 CO 0.41 0.13 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.61 1i3c n GLU 140 N -1.78 2.54 -0.13 3.23 1.02 -1.08 -4.90 120.64 119.54 1i3c n GLU 140 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 1i3c n GLU 140 Cb 0.40 -0.86 -0.11 0.00 -0.02 0.00 0.00 31.44 30.84 1i3c n GLU 140 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1i3c n THR 141 N -1.44 1.52 -2.40 2.62 -1.04 -0.87 -5.00 114.28 107.66 1i3c n THR 141 Ca 0.00 -0.49 -0.35 0.00 -2.04 0.00 0.00 64.05 61.17 1i3c n THR 141 Cb 0.26 -1.62 -0.02 0.00 -1.82 0.00 0.00 70.33 67.13 1i3c n THR 141 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i3c s VAL 142 N -2.51 3.45 -0.48 12.58 1.01 0.09 -5.01 120.40 129.53 1i3c s VAL 142 Ca -0.36 0.94 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 1i3c s VAL 142 Cb 0.11 -3.40 0.08 0.00 0.00 0.00 0.00 36.38 33.17 1i3c s VAL 142 CO 0.57 -0.16 0.42 -0.89 0.00 0.00 0.00 175.10 175.04 1i3c s THR 143 N -1.82 5.21 0.47 3.92 2.01 -1.26 -4.87 115.64 119.30 1i3c s THR 143 Ca 0.68 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.42 1i3c s THR 143 Cb -0.21 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.04 1i3c s THR 143 CO 0.25 -0.63 0.98 -0.76 -0.69 0.00 0.00 174.62 173.77 1i3c s LEU 144 N 1.71 3.81 0.49 4.42 1.43 -1.26 -5.05 118.68 124.23 1i3c s LEU 144 Ca 0.05 1.69 -0.20 0.00 -1.03 0.00 0.00 54.13 54.63 1i3c s LEU 144 Cb -0.25 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.36 1i3c s LEU 144 CO 0.07 -0.52 1.04 -2.16 0.23 0.00 0.00 176.35 175.00 1i3c s PRO 145 N -3.51 3.77 0.00 1.29 0.04 -1.26 -5.21 135.00 130.11 1i3c s PRO 145 Ca 0.62 1.36 0.31 0.00 0.04 0.00 0.00 61.00 63.32 1i3c s PRO 145 Cb -0.11 -2.09 1.61 0.00 0.04 0.00 0.00 34.50 33.95 1i3c s PRO 145 CO 0.21 -0.46 2.06 0.00 0.04 0.00 0.00 177.00 178.85