#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4c s ARG 2 N 0.00 3.87 -0.30 3.17 0.52 -1.26 -1.63 118.95 123.32 3i4c s ARG 2 Ca 0.00 0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 56.03 3i4c s ARG 2 Cb 0.00 -2.12 0.15 0.00 0.52 0.00 0.00 34.95 33.50 3i4c s ARG 2 CO 0.00 -0.34 0.92 0.00 0.02 0.00 0.00 175.30 175.90 3i4c s ALA 3 N -2.64 -2.46 -0.23 2.13 0.00 -0.63 -3.23 121.76 114.71 3i4c s ALA 3 Ca 0.59 2.15 -0.19 0.00 0.00 0.00 0.00 51.96 54.51 3i4c s ALA 3 Cb -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 3i4c s ALA 3 CO 0.33 -0.77 0.58 0.08 0.00 0.00 0.00 175.76 175.98 3i4c s VAL 4 N 2.19 5.04 0.24 0.00 1.01 -0.59 0.07 120.40 128.37 3i4c s VAL 4 Ca -0.05 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.03 3i4c s VAL 4 Cb -0.06 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3i4c s VAL 4 CO -0.17 0.10 -0.03 -0.13 0.00 0.00 0.00 175.10 174.87 3i4c s ARG 5 N 2.07 1.40 -0.40 2.72 0.52 0.32 -3.66 118.95 121.92 3i4c s ARG 5 Ca 0.25 -1.70 -0.18 0.00 -0.52 0.00 0.00 55.73 53.58 3i4c s ARG 5 Cb -0.16 -0.80 0.01 0.00 0.52 0.00 0.00 34.95 34.53 3i4c s ARG 5 CO 0.09 -0.05 0.49 -1.17 0.02 0.00 0.00 175.30 174.69 3i4c s LEU 6 N -3.35 4.63 0.19 2.53 2.96 -0.63 0.12 118.68 125.13 3i4c s LEU 6 Ca 0.28 -0.42 0.11 0.00 -0.22 0.00 0.00 54.13 53.88 3i4c s LEU 6 Cb 0.05 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3i4c s LEU 6 CO 0.09 -0.58 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.58 3i4c s LEU 13 N 2.34 2.58 0.01 -0.68 1.43 -1.26 -3.14 118.68 119.97 3i4c s LEU 13 Ca 0.16 -0.78 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 3i4c s LEU 13 Cb -0.16 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 3i4c s LEU 13 CO 0.15 0.12 -0.23 -0.55 0.23 0.00 0.00 176.35 176.06 3i4c s SER 14 N -2.68 2.78 -0.18 2.29 0.15 0.32 -4.96 113.70 111.42 3i4c s SER 14 Ca 0.22 -0.49 -0.20 0.00 0.70 0.00 0.00 55.95 56.18 3i4c s SER 14 Cb -0.08 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 3i4c s SER 14 CO 0.11 0.25 0.58 -0.22 1.20 0.00 0.00 173.24 175.15 3i4c s LEU 15 N -0.89 4.17 0.39 3.45 2.96 -1.26 0.12 118.68 127.62 3i4c s LEU 15 Ca 0.09 0.80 0.05 0.00 -0.22 0.00 0.00 54.13 54.85 3i4c s LEU 15 Cb -0.09 -2.81 -0.06 0.00 0.50 0.00 0.00 46.19 43.72 3i4c s LEU 15 CO 0.01 -0.20 0.04 -1.10 -1.32 0.00 0.00 176.35 173.78 3i4c s GLN 16 N 1.59 1.86 -0.62 1.98 -0.21 0.11 -4.95 119.66 119.42 3i4c s GLN 16 Ca 0.27 -2.07 0.05 0.00 0.02 0.00 0.00 55.36 53.63 3i4c s GLN 16 Cb -0.16 -1.23 0.17 0.00 1.00 0.00 0.00 33.01 32.79 3i4c s GLN 16 CO 0.11 -0.17 0.44 -2.00 -2.12 0.00 0.00 175.29 171.55 3i4c s GLU 17 N -3.80 2.04 0.49 2.91 2.56 -1.26 -1.61 118.70 120.04 3i4c s GLU 17 Ca 0.32 -2.99 0.04 0.00 0.00 0.00 0.00 54.97 52.34 3i4c s GLU 17 Cb 0.08 -2.91 0.02 0.00 2.00 0.00 0.00 34.13 33.32 3i4c s GLU 17 CO 0.15 -1.30 0.69 0.96 -0.56 0.00 0.00 175.26 175.20 3i4c s ILE 18 N -1.00 2.81 0.65 -3.70 -4.36 -0.65 -4.71 121.20 110.24 3i4c s ILE 18 Ca 0.26 -0.81 -0.10 0.00 -0.26 0.00 0.00 60.65 59.74 3i4c s ILE 18 Cb -0.04 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 3i4c s ILE 18 CO -0.16 0.00 1.03 -0.83 0.24 0.00 0.00 174.94 175.22 3i4c s GLY 19 N -4.39 1.63 -0.33 6.27 0.00 -1.26 0.11 107.32 109.33 3i4c s GLY 19 Ca 0.56 -0.31 -0.20 0.00 0.00 0.00 0.00 44.72 44.77 3i4c s GLY 19 CO 0.36 0.00 0.62 0.14 0.00 0.00 0.00 173.10 174.22 3i4c s VAL 20 N -3.22 4.93 0.71 1.40 1.01 -1.26 -4.74 120.40 119.23 3i4c s VAL 20 Ca 0.56 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 3i4c s VAL 20 Cb -0.11 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 3i4c s VAL 20 CO 0.51 -0.23 0.93 -2.65 0.00 0.00 0.00 175.10 173.66 3i4c n PRO 21 N 5.94 0.53 -3.79 2.72 -0.02 -1.26 -4.99 135.00 134.13 3i4c n PRO 21 Ca -0.02 0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 61.33 3i4c n PRO 21 Cb 0.49 -2.18 -0.13 0.00 -0.02 0.00 0.00 33.50 31.66 3i4c n PRO 21 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i4c s LYS 22 N -3.22 3.43 0.17 -0.52 2.20 -1.26 -5.01 119.74 115.54 3i4c s LYS 22 Ca 0.73 -0.62 -0.31 0.00 -0.36 0.00 0.00 55.97 55.41 3i4c s LYS 22 Cb -0.35 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 3i4c s LYS 22 CO 0.50 -0.27 1.51 -1.25 -0.36 0.00 0.00 175.35 175.49 3i4c s PRO 23 N 1.55 4.25 0.01 4.03 0.04 -1.26 -5.02 135.00 138.60 3i4c s PRO 23 Ca 0.05 2.30 0.03 0.00 0.04 0.00 0.00 61.00 63.42 3i4c s PRO 23 Cb -0.15 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3i4c s PRO 23 CO 0.02 -0.53 -0.10 -1.59 0.04 0.00 0.00 177.00 174.83 3i4c s LYS 24 N 0.80 0.76 7.80 4.56 -2.85 -1.26 -4.28 119.74 125.27 3i4c s LYS 24 Ca 0.67 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 55.12 3i4c s LYS 24 Cb -0.42 -0.72 0.00 0.00 -2.06 0.00 0.00 37.83 34.63 3i4c s LYS 24 CO 0.34 0.18 0.00 0.41 0.10 0.00 0.00 175.35 176.38 3i4c n GLY 25 N 2.36 3.14 0.12 0.59 0.00 -1.26 -2.35 105.19 107.79 3i4c n GLY 25 Ca -0.16 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.82 3i4c n GLY 25 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4c n PRO 26 N 13.10 0.62 -1.33 1.61 -0.04 -1.26 -0.16 135.00 147.55 3i4c n PRO 26 Ca 0.00 -0.24 -0.33 0.00 -0.04 0.00 0.00 63.50 62.89 3i4c n PRO 26 Cb 0.00 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.06 3i4c n PRO 26 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i4c s GLN 27 N -2.54 2.07 -0.02 0.54 -0.21 -0.99 -1.56 119.66 116.95 3i4c s GLN 27 Ca 0.26 1.56 0.00 0.00 0.02 0.00 0.00 55.36 57.20 3i4c s GLN 27 Cb 0.20 -1.85 0.02 0.00 1.00 0.00 0.00 33.01 32.38 3i4c s GLN 27 CO 0.50 -1.85 0.00 0.08 -2.12 0.00 0.00 175.29 171.91 3i4c s VAL 28 N -2.32 0.11 -0.24 1.09 1.01 -0.64 -0.96 120.40 118.45 3i4c s VAL 28 Ca 0.69 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 3i4c s VAL 28 Cb -0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 3i4c s VAL 28 CO 0.49 0.11 0.25 -0.22 0.00 0.00 0.00 175.10 175.72 3i4c s LEU 29 N 0.82 4.10 -0.09 3.92 2.96 0.11 -0.53 118.68 129.98 3i4c s LEU 29 Ca -0.08 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3i4c s LEU 29 Cb -0.11 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 3i4c s LEU 29 CO -0.02 -0.01 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.27 3i4c s ILE 30 N 1.33 3.37 -0.59 6.68 1.01 0.39 -0.31 121.20 133.07 3i4c s ILE 30 Ca 0.11 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 3i4c s ILE 30 Cb -0.14 -2.38 0.07 0.00 0.01 0.00 0.00 42.46 40.01 3i4c s ILE 30 CO 0.07 0.57 0.85 -0.75 0.00 0.00 0.00 174.94 175.67 3i4c s LYS 31 N -0.38 3.15 0.00 2.79 2.20 0.11 -1.00 119.74 126.61 3i4c s LYS 31 Ca 0.05 -0.81 -0.33 0.00 -0.36 0.00 0.00 55.97 54.52 3i4c s LYS 31 Cb -0.12 -4.17 -0.12 0.00 -1.51 0.00 0.00 37.83 31.91 3i4c s LYS 31 CO 0.02 -1.58 1.83 0.28 -0.36 0.00 0.00 175.35 175.54 3i4c n VAL 32 N 5.85 0.46 0.11 4.02 0.31 -0.62 -1.95 118.33 126.51 3i4c n VAL 32 Ca -0.04 -0.08 0.04 0.00 -0.01 0.00 0.00 64.34 64.25 3i4c n VAL 32 Cb 0.45 -1.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.43 3i4c n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i4c n GLU 33 N 5.98 1.44 -3.68 5.55 1.02 -0.68 -4.42 120.64 125.84 3i4c n GLU 33 Ca 0.21 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 3i4c n GLU 33 Cb 0.32 -1.11 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 3i4c n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i4c s ALA 34 N -2.35 -1.22 -0.36 0.62 0.00 -0.68 -4.66 121.76 113.10 3i4c s ALA 34 Ca -0.01 1.69 0.01 0.00 0.00 0.00 0.00 51.96 53.65 3i4c s ALA 34 Cb 0.06 -1.09 0.11 0.00 0.00 0.00 0.00 23.12 22.21 3i4c s ALA 34 CO 0.35 -0.37 0.15 0.00 0.00 0.00 0.00 175.76 175.90 3i4c s ALA 35 N 1.64 1.86 0.66 0.00 0.00 0.23 -2.56 121.76 123.60 3i4c s ALA 35 Ca -0.08 -2.10 -0.17 0.00 0.00 0.00 0.00 51.96 49.61 3i4c s ALA 35 Cb -0.08 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3i4c s ALA 35 CO -0.14 -1.84 1.20 0.20 0.00 0.00 0.00 175.76 175.18 3i4c s GLY 36 N 1.06 2.49 -0.05 0.00 0.00 -0.35 -0.85 107.32 109.61 3i4c s GLY 36 Ca 0.13 0.89 0.02 0.00 0.00 0.00 0.00 44.72 45.77 3i4c s GLY 36 CO -0.13 1.28 -0.11 0.14 0.00 0.00 0.00 173.10 174.28 3i4c s VAL 37 N -1.87 1.01 0.23 1.40 1.01 -0.23 -4.33 120.40 117.62 3i4c s VAL 37 Ca 0.75 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 3i4c s VAL 37 Cb -0.29 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3i4c s VAL 37 CO 0.40 0.32 0.18 0.00 0.00 0.00 0.00 175.10 176.00 3i4c h HIS 39 N 2.51 0.03 -0.01 0.00 2.76 -1.99 0.22 115.15 118.68 3i4c h HIS 39 Ca -0.33 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 3i4c h HIS 39 Cb 1.25 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.20 3i4c h HIS 39 CO 0.61 0.00 0.01 0.77 -1.30 0.00 0.00 177.93 178.02 3i4c h SER 40 N 0.02 0.00 1.63 3.26 0.02 -2.00 0.30 113.55 116.77 3i4c h SER 40 Ca 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 3i4c h SER 40 Cb 2.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.84 3i4c h SER 40 CO -0.02 0.00 0.00 0.44 -1.14 0.00 0.00 176.83 176.11 3i4c h ASP 41 N 0.00 0.00 -0.12 3.07 3.32 -0.96 -1.79 116.42 119.94 3i4c h ASP 41 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3i4c h ASP 41 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3i4c h ASP 41 CO -0.00 0.00 -0.21 0.58 -1.72 0.00 0.00 179.24 177.89 3i4c h VAL 42 N 0.00 1.38 -0.71 -1.35 2.07 -0.50 -1.14 116.25 116.00 3i4c h VAL 42 Ca 0.00 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 3i4c h VAL 42 Cb 0.81 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 3i4c h VAL 42 CO 0.00 0.43 0.17 0.45 0.02 0.00 0.00 177.57 178.64 3i4c h HIS 43 N -0.07 1.19 0.48 1.57 3.86 -1.41 -3.03 115.15 117.75 3i4c h HIS 43 Ca 0.01 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 3i4c h HIS 43 Cb 0.79 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3i4c h HIS 43 CO 0.10 0.97 -0.30 0.52 0.86 0.00 0.00 177.93 180.08 3i4c h MET 44 N 1.07 -0.72 -0.03 2.45 2.07 -1.23 -1.36 114.93 117.18 3i4c h MET 44 Ca 0.22 0.05 0.01 0.00 -2.07 0.00 0.00 59.70 57.91 3i4c h MET 44 Cb 0.38 0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 30.27 3i4c h MET 44 CO 0.00 -0.48 0.40 -0.09 1.07 0.00 0.00 176.91 177.82 3i4c h ARG 45 N -0.75 0.00 -1.52 1.72 2.43 -1.14 -3.51 114.38 111.61 3i4c h ARG 45 Ca -0.05 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.41 3i4c h ARG 45 Cb 0.61 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.89 3i4c h ARG 45 CO 0.05 0.00 0.94 1.04 -1.51 0.00 0.00 179.97 180.50 3i4c n GLN 46 N -2.90 2.69 0.00 0.20 6.02 -0.52 -4.99 117.38 117.88 3i4c n GLN 46 Ca -0.01 -3.32 0.00 0.00 -0.01 0.00 0.00 57.00 53.65 3i4c n GLN 46 Cb 0.45 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.46 3i4c n GLN 46 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i4c n LEU 62 N -0.65 0.00 -4.83 1.08 4.32 -1.26 -5.01 117.00 110.65 3i4c n LEU 62 Ca 0.57 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 56.25 3i4c n LEU 62 Cb 0.45 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.29 3i4c n LEU 62 CO 0.64 0.00 0.71 -2.16 -1.22 0.00 0.00 177.39 175.36 3i4c s PRO 63 N -1.12 3.06 -0.05 3.23 0.04 -1.26 -5.19 135.00 133.70 3i4c s PRO 63 Ca 0.00 0.92 -0.04 0.00 0.04 0.00 0.00 61.00 61.91 3i4c s PRO 63 Cb 0.00 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3i4c s PRO 63 CO 0.00 -1.00 0.14 0.54 0.04 0.00 0.00 177.00 176.72 3i4c s VAL 64 N -3.07 -0.01 -0.18 -0.36 0.11 -1.19 -4.99 120.40 110.72 3i4c s VAL 64 Ca 0.57 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.39 3i4c s VAL 64 Cb -0.13 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 3i4c s VAL 64 CO 0.55 0.01 0.85 -0.89 -3.33 0.00 0.00 175.10 172.29 3i4c s THR 65 N 0.20 4.86 0.98 5.04 2.01 -1.26 -1.60 115.64 125.87 3i4c s THR 65 Ca -0.01 1.67 -0.17 0.00 0.31 0.00 0.00 61.69 63.49 3i4c s THR 65 Cb -0.02 -4.15 0.23 0.00 0.01 0.00 0.00 72.50 68.56 3i4c s THR 65 CO -0.01 -0.00 1.30 0.18 -0.69 0.00 0.00 174.62 175.40 3i4c n LEU 66 N 5.40 0.00 0.00 4.42 4.32 -1.24 0.12 117.00 130.02 3i4c n LEU 66 Ca 0.05 -1.42 0.00 0.00 -0.02 0.00 0.00 56.01 54.63 3i4c n LEU 66 Cb 0.48 -1.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 3i4c n LEU 66 CO 0.48 -1.49 0.00 0.61 -1.22 0.00 0.00 177.39 175.78 3i4c n GLY 67 N -3.65 0.87 1.15 -0.72 0.00 -1.25 -0.81 105.19 100.78 3i4c n GLY 67 Ca 0.16 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.67 3i4c n GLY 67 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i4c n HIS 68 N 0.00 0.47 -3.80 1.61 1.44 -1.25 -0.47 115.22 113.22 3i4c n HIS 68 Ca 0.00 -0.24 -0.35 0.00 -2.01 0.00 0.00 57.72 55.13 3i4c n HIS 68 Cb 0.00 -0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.00 3i4c n HIS 68 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3i4c s GLU 69 N -1.52 2.26 -0.08 -1.40 2.02 -1.26 -4.56 118.70 114.15 3i4c s GLU 69 Ca 0.38 -2.36 0.01 0.00 0.02 0.00 0.00 54.97 53.03 3i4c s GLU 69 Cb 0.23 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 3i4c s GLU 69 CO 0.32 -1.12 -0.11 0.42 0.02 0.00 0.00 175.26 174.79 3i4c s ILE 70 N 0.21 3.35 -0.20 -1.63 1.01 -1.26 -1.22 121.20 121.46 3i4c s ILE 70 Ca 0.15 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.99 3i4c s ILE 70 Cb -0.22 -2.36 0.06 0.00 0.01 0.00 0.00 42.46 39.94 3i4c s ILE 70 CO -0.03 0.57 0.58 0.00 0.00 0.00 0.00 174.94 176.06 3i4c s ALA 71 N -0.45 -1.44 0.00 9.38 0.00 -1.06 -1.39 121.76 126.81 3i4c s ALA 71 Ca 0.06 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3i4c s ALA 71 Cb -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.13 3i4c s ALA 71 CO 0.02 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3i4c n GLY 72 N 2.62 -1.25 3.89 0.00 0.00 -0.30 -1.69 105.19 108.46 3i4c n GLY 72 Ca -0.14 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 3i4c n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4c s LYS 73 N -0.52 3.45 -0.17 1.61 1.02 -0.82 -0.49 119.74 123.82 3i4c s LYS 73 Ca 0.00 -0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.50 3i4c s LYS 73 Cb 0.00 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 3i4c s LYS 73 CO 0.00 0.73 1.50 0.42 -0.92 0.00 0.00 175.35 177.08 3i4c s ILE 74 N -1.16 3.86 -0.11 2.17 1.01 0.55 0.04 121.20 127.56 3i4c s ILE 74 Ca 0.21 1.01 -0.21 0.00 0.00 0.00 0.00 60.65 61.66 3i4c s ILE 74 Cb -0.12 -3.76 -0.27 0.00 0.01 0.00 0.00 42.46 38.32 3i4c s ILE 74 CO 0.11 -0.21 0.64 -0.08 0.00 0.00 0.00 174.94 175.39 3i4c h GLU 75 N 9.60 0.18 -2.23 2.79 4.57 -0.99 0.27 114.58 128.76 3i4c h GLU 75 Ca -0.32 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 57.48 3i4c h GLU 75 Cb 1.14 0.12 -0.20 0.00 -0.16 0.00 0.00 28.75 29.65 3i4c h GLU 75 CO 0.98 1.15 0.07 -2.00 -1.18 0.00 0.00 179.01 178.03 3i4c s GLU 76 N -2.40 0.91 0.12 1.92 2.12 -1.04 -4.83 118.70 115.50 3i4c s GLU 76 Ca -0.19 0.34 0.10 0.00 0.36 0.00 0.00 54.97 55.57 3i4c s GLU 76 Cb 0.02 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 3i4c s GLU 76 CO 0.75 -0.24 -0.22 0.14 -0.54 0.00 0.00 175.26 175.14 3i4c s VAL 77 N -0.82 2.59 0.95 3.70 -7.23 -1.26 0.09 120.40 118.42 3i4c s VAL 77 Ca -0.09 -1.59 -0.12 0.00 -1.81 0.00 0.00 61.98 58.37 3i4c s VAL 77 Cb -0.02 -2.17 0.16 0.00 0.56 0.00 0.00 36.38 34.91 3i4c s VAL 77 CO 0.07 0.11 1.10 -0.83 -0.31 0.00 0.00 175.10 175.24 3i4c s GLY 78 N -2.06 1.58 0.00 2.32 0.00 -0.13 -4.89 107.32 104.14 3i4c s GLY 78 Ca 0.16 -0.32 0.18 0.00 0.00 0.00 0.00 44.72 44.74 3i4c s GLY 78 CO 0.08 0.25 1.48 2.09 0.00 0.00 0.00 173.10 177.00 3i4c n ASP 79 N -3.99 0.00 -0.12 1.64 5.75 -1.13 -2.56 116.55 116.15 3i4c n ASP 79 Ca 0.06 -0.68 0.04 0.00 -0.01 0.00 0.00 54.79 54.20 3i4c n ASP 79 Cb 0.57 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.64 3i4c n ASP 79 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i4c n GLU 80 N -0.95 3.04 -2.04 0.11 1.02 0.78 -4.94 120.64 117.66 3i4c n GLU 80 Ca 0.13 -0.32 -0.41 0.00 -0.02 0.00 0.00 57.16 56.54 3i4c n GLU 80 Cb 0.06 -0.99 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 3i4c n GLU 80 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i4c s VAL 81 N -1.50 2.67 -0.01 2.62 1.01 -1.06 -4.72 120.40 119.41 3i4c s VAL 81 Ca 0.06 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.66 3i4c s VAL 81 Cb 0.07 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 3i4c s VAL 81 CO 0.28 0.11 -0.09 -0.69 0.00 0.00 0.00 175.10 174.71 3i4c s VAL 82 N -0.34 0.69 0.00 2.92 1.01 -1.26 -4.82 120.40 118.60 3i4c s VAL 82 Ca 0.56 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3i4c s VAL 82 Cb -0.41 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3i4c s VAL 82 CO 0.46 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3i4c n GLY 83 N 2.96 0.83 3.04 4.51 0.00 -1.26 -5.02 105.19 110.25 3i4c n GLY 83 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 3i4c n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i4c s TYR 84 N -3.28 0.63 0.13 1.61 1.51 -1.26 -5.11 117.35 111.58 3i4c s TYR 84 Ca 0.00 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3i4c s TYR 84 Cb 0.00 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 3i4c s TYR 84 CO 0.00 -0.07 -0.02 -1.12 -1.11 0.00 0.00 175.55 173.23 3i4c s SER 85 N -1.31 1.07 0.38 2.29 0.01 -1.26 -5.02 113.70 109.86 3i4c s SER 85 Ca -0.08 -1.10 -0.27 0.00 1.31 0.00 0.00 55.95 55.81 3i4c s SER 85 Cb -0.09 0.13 -0.11 0.00 0.21 0.00 0.00 66.02 66.16 3i4c s SER 85 CO 0.00 -0.54 1.33 1.17 0.41 0.00 0.00 173.24 175.61 3i4c n LYS 86 N -0.13 2.19 0.00 12.44 4.81 -1.26 -1.98 118.16 134.22 3i4c n LYS 86 Ca -0.09 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3i4c n LYS 86 Cb 0.62 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.25 3i4c n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i4c n GLY 87 N 0.71 3.38 3.77 3.14 0.00 0.94 -4.93 105.19 112.19 3i4c n GLY 87 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3i4c n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i4c s ASP 88 N -0.71 6.36 -0.13 1.61 1.01 -0.84 -4.52 116.67 119.45 3i4c s ASP 88 Ca 0.00 3.00 -0.17 0.00 0.71 0.00 0.00 52.55 56.09 3i4c s ASP 88 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3i4c s ASP 88 CO 0.00 -0.89 0.43 -0.22 0.21 0.00 0.00 175.17 174.70 3i4c s LEU 89 N -1.32 4.27 0.07 1.23 2.96 -1.26 -0.33 118.68 124.30 3i4c s LEU 89 Ca 0.58 0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 55.17 3i4c s LEU 89 Cb -0.47 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 3i4c s LEU 89 CO 0.56 0.02 0.08 0.68 -1.32 0.00 0.00 176.35 176.37 3i4c s VAL 90 N 0.59 0.18 0.29 1.68 -7.23 0.36 -0.81 120.40 115.46 3i4c s VAL 90 Ca 0.24 -1.50 0.09 0.00 -1.81 0.00 0.00 61.98 59.00 3i4c s VAL 90 Cb -0.15 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3i4c s VAL 90 CO 0.09 -0.81 0.03 0.00 -0.31 0.00 0.00 175.10 174.10 3i4c s ALA 91 N -3.89 3.24 -0.02 1.32 0.00 -0.71 -1.15 121.76 120.55 3i4c s ALA 91 Ca 0.07 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.34 3i4c s ALA 91 Cb 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3i4c s ALA 91 CO -0.10 0.20 -0.08 0.08 0.00 0.00 0.00 175.76 175.86 3i4c s VAL 92 N -2.36 0.70 -0.47 0.00 1.01 -0.48 -1.61 120.40 117.19 3i4c s VAL 92 Ca 0.33 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 3i4c s VAL 92 Cb -0.05 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.75 3i4c s VAL 92 CO 0.20 0.21 0.77 0.21 0.00 0.00 0.00 175.10 176.50 3i4c s ASN 93 N 0.06 6.37 0.43 3.32 3.84 -0.03 -4.53 114.94 124.41 3i4c s ASN 93 Ca -0.01 -0.25 0.28 0.00 0.21 0.00 0.00 52.86 53.09 3i4c s ASN 93 Cb -0.06 -2.37 0.91 0.00 -0.55 0.00 0.00 41.25 39.17 3i4c s ASN 93 CO 0.00 -0.94 1.80 1.55 -2.79 0.00 0.00 177.10 176.72 3i4c h PRO 94 N 9.01 0.00 -4.84 0.43 0.13 -1.84 -3.43 132.00 131.46 3i4c h PRO 94 Ca -0.25 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.18 3i4c h PRO 94 Cb 1.09 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.03 3i4c h PRO 94 CO 0.97 0.00 -0.05 -1.17 -0.23 0.00 0.00 178.00 177.52 3i4c s LEU 95 N -5.75 5.06 -0.20 1.56 2.96 -1.26 -1.24 118.68 119.82 3i4c s LEU 95 Ca 0.05 -0.95 0.01 0.00 -0.22 0.00 0.00 54.13 53.03 3i4c s LEU 95 Cb 0.08 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.40 3i4c s LEU 95 CO 0.57 -0.81 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.51 3i4c s GLN 96 N 2.40 2.79 0.52 1.98 -0.21 -0.04 -4.77 119.66 122.33 3i4c s GLN 96 Ca 0.13 -0.94 -0.19 0.00 0.02 0.00 0.00 55.36 54.38 3i4c s GLN 96 Cb -0.20 -2.63 -0.07 0.00 1.00 0.00 0.00 33.01 31.12 3i4c s GLN 96 CO 0.11 -0.30 1.05 0.20 -2.12 0.00 0.00 175.29 174.24 3i4c s GLY 97 N 1.25 2.40 0.50 3.09 0.00 -1.26 -0.17 107.32 113.14 3i4c s GLY 97 Ca 0.02 0.56 0.29 0.00 0.00 0.00 0.00 44.72 45.59 3i4c s GLY 97 CO -0.11 0.88 1.91 1.05 0.00 0.00 0.00 173.10 176.82 3i4c h GLU 98 N 1.20 0.00 0.00 2.90 -0.00 -1.91 -3.46 114.58 113.30 3i4c h GLU 98 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 3i4c h GLU 98 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 3i4c h GLU 98 CO 0.58 0.09 0.00 0.41 -0.00 0.00 0.00 179.01 180.09 3i4c n GLY 99 N 0.13 3.04 0.08 1.06 0.00 -1.26 -4.92 105.19 103.32 3i4c n GLY 99 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3i4c n GLY 99 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3i4c h ASN 100 N 0.00 0.06 -3.85 1.61 -1.24 -1.94 -3.36 115.58 106.86 3i4c h ASN 100 Ca 0.00 -0.11 -0.47 0.00 0.71 0.00 0.00 56.30 56.43 3i4c h ASN 100 Cb 0.00 -0.02 0.18 0.00 0.73 0.00 0.00 38.32 39.21 3i4c h ASN 100 CO 0.00 1.09 0.17 0.00 -1.29 0.00 0.00 177.43 177.40 3i4c h TYR 102 N -1.98 0.12 -0.36 0.00 3.20 -1.98 -1.65 116.97 114.33 3i4c h TYR 102 Ca -0.52 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.31 3i4c h TYR 102 Cb 1.30 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 3i4c h TYR 102 CO 0.38 -0.05 -0.07 1.88 -1.64 0.00 0.00 178.16 178.66 3i4c h TYR 103 N 0.21 0.65 -0.32 -3.82 0.05 -1.87 -1.52 116.97 110.36 3i4c h TYR 103 Ca 0.28 -0.09 -0.14 0.00 0.05 0.00 0.00 58.73 58.83 3i4c h TYR 103 Cb 0.42 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 3i4c h TYR 103 CO -0.26 0.67 -0.36 0.00 -1.05 0.00 0.00 178.16 177.15 3i4c h ARG 105 N 0.58 0.57 -0.12 0.00 3.08 -0.94 -2.36 114.38 115.19 3i4c h ARG 105 Ca 0.04 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3i4c h ARG 105 Cb 0.95 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3i4c h ARG 105 CO 0.09 0.63 0.00 0.44 -1.07 0.00 0.00 179.97 180.06 3i4c n ILE 106 N -4.23 0.14 -0.59 2.04 -5.35 -0.60 -4.92 119.36 105.85 3i4c n ILE 106 Ca 0.01 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 3i4c n ILE 106 Cb 0.29 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 3i4c n ILE 106 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i4c n GLY 107 N 1.09 0.64 2.63 3.28 0.00 -0.89 -4.98 105.19 106.96 3i4c n GLY 107 Ca 0.17 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 3i4c n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4c n GLU 108 N -2.59 3.38 0.30 1.61 -0.58 0.15 -4.89 120.64 118.03 3i4c n GLU 108 Ca 0.00 -4.59 0.18 0.00 -0.42 0.00 0.00 57.16 52.33 3i4c n GLU 108 Cb 0.00 -2.25 0.94 0.00 -0.57 0.00 0.00 31.44 29.56 3i4c n GLU 108 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3i4c h GLU 109 N 2.74 0.00 0.00 3.49 4.11 -1.82 0.15 114.58 123.25 3i4c h GLU 109 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 3i4c h GLU 109 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3i4c h GLU 109 CO 0.87 0.00 0.00 1.12 0.07 0.00 0.00 179.01 181.07 3i4c h HIS 110 N 0.00 0.00 -0.49 2.06 2.07 -1.86 -1.00 115.15 115.92 3i4c h HIS 110 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3i4c h HIS 110 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 3i4c h HIS 110 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3i4c n LEU 111 N -2.61 4.91 -4.60 6.12 4.77 0.04 -4.94 117.00 120.69 3i4c n LEU 111 Ca 0.01 -2.82 -0.40 0.00 -0.03 0.00 0.00 56.01 52.77 3i4c n LEU 111 Cb 0.22 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 40.73 3i4c n LEU 111 CO 0.21 0.69 0.52 0.00 -1.33 0.00 0.00 177.39 177.48 3i4c h ASP 113 N 1.07 0.00 -1.88 0.00 3.32 -1.95 -3.35 116.42 113.62 3i4c h ASP 113 Ca -0.46 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.05 3i4c h ASP 113 Cb 1.35 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.53 3i4c h ASP 113 CO 0.54 0.45 -1.08 -1.20 -1.72 0.00 0.00 179.24 176.23 3i4c n SER 114 N -3.77 0.01 -4.82 6.45 7.64 -1.26 -5.14 113.62 112.73 3i4c n SER 114 Ca -0.01 -2.74 -0.31 0.00 1.01 0.00 0.00 58.87 56.82 3i4c n SER 114 Cb 0.51 -0.49 0.04 0.00 -1.01 0.00 0.00 64.21 63.26 3i4c n SER 114 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i4c s PRO 115 N -1.11 3.03 -0.40 1.43 0.04 -1.26 -4.16 135.00 132.57 3i4c s PRO 115 Ca 0.35 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 3i4c s PRO 115 Cb 0.18 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.77 3i4c s PRO 115 CO -0.12 -1.03 0.25 0.50 0.04 0.00 0.00 177.00 176.65 3i4c s ARG 116 N -4.90 2.75 -0.37 4.56 3.52 0.75 -4.97 118.95 120.30 3i4c s ARG 116 Ca 0.59 -1.26 -0.03 0.00 -0.13 0.00 0.00 55.73 54.89 3i4c s ARG 116 Cb -0.14 -3.80 0.08 0.00 -1.56 0.00 0.00 34.95 29.53 3i4c s ARG 116 CO 0.52 -0.84 0.14 -0.46 -0.81 0.00 0.00 175.30 173.85 3i4c s TRP 117 N 1.51 3.44 0.21 5.12 -0.11 -1.26 -0.86 118.94 127.00 3i4c s TRP 117 Ca 0.02 -2.09 -0.32 0.00 1.22 0.00 0.00 56.10 54.93 3i4c s TRP 117 Cb -0.21 -2.77 -0.12 0.00 -1.50 0.00 0.00 33.47 28.86 3i4c s TRP 117 CO 0.05 -0.89 1.69 1.28 -4.62 0.00 0.00 176.95 174.46 3i4c n LEU 118 N 4.65 3.91 0.00 5.86 4.77 -0.37 -0.96 117.00 134.85 3i4c n LEU 118 Ca -0.07 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 3i4c n LEU 118 Cb 0.42 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 3i4c n LEU 118 CO 0.31 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3i4c n GLY 119 N 3.73 1.54 0.98 -0.72 0.00 0.11 -3.92 105.19 106.91 3i4c n GLY 119 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 3i4c n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i4c n ILE 120 N -2.00 1.09 -0.90 -0.61 2.08 -0.14 -3.80 119.36 115.09 3i4c n ILE 120 Ca 0.00 0.33 0.03 0.00 0.56 0.00 0.00 62.75 63.67 3i4c n ILE 120 Cb 0.00 -1.63 0.04 0.00 -0.75 0.00 0.00 39.64 37.31 3i4c n ILE 120 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 3i4c n ASN 121 N -3.50 1.38 -3.84 4.38 0.23 -0.41 -5.01 115.26 108.49 3i4c n ASN 121 Ca -0.01 -2.17 -0.12 0.00 -0.53 0.00 0.00 54.58 51.75 3i4c n ASN 121 Cb 0.11 -0.17 -0.10 0.00 -2.08 0.00 0.00 39.78 37.53 3i4c n ASN 121 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3i4c s PHE 122 N -1.23 -0.04 0.19 -2.53 5.36 -1.08 -4.82 117.98 113.83 3i4c s PHE 122 Ca 0.10 0.04 -0.33 0.00 -0.96 0.00 0.00 56.93 55.78 3i4c s PHE 122 Cb 0.09 0.00 -0.13 0.00 -0.34 0.00 0.00 43.02 42.64 3i4c s PHE 122 CO 0.01 -0.29 1.61 -0.25 -1.46 0.00 0.00 175.22 174.84 3i4c n ASP 123 N 1.57 3.39 0.00 6.13 8.00 -1.26 0.10 116.55 134.48 3i4c n ASP 123 Ca -0.21 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.37 3i4c n ASP 123 Cb 0.56 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 3i4c n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4c n GLY 124 N 3.45 2.09 0.58 0.44 0.00 0.31 -4.03 105.19 108.04 3i4c n GLY 124 Ca 0.16 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.34 3i4c n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c n ALA 125 N -3.00 2.51 -0.89 4.61 0.00 0.37 -4.46 120.51 119.65 3i4c n ALA 125 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 3i4c n ALA 125 Cb 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 3i4c n ALA 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i4c n TYR 126 N 0.38 0.47 -3.85 0.00 4.02 0.01 -4.72 117.16 113.47 3i4c n TYR 126 Ca 0.16 -1.58 -0.09 0.00 -0.01 0.00 0.00 57.90 56.39 3i4c n TYR 126 Cb 0.34 -1.58 0.00 0.00 -0.02 0.00 0.00 39.34 38.08 3i4c n TYR 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i4c s ALA 127 N 1.65 -0.75 0.19 -0.72 0.00 -1.26 -1.54 121.76 119.31 3i4c s ALA 127 Ca 0.56 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.92 3i4c s ALA 127 Cb 0.24 0.77 0.04 0.00 0.00 0.00 0.00 23.12 24.17 3i4c s ALA 127 CO -0.01 -0.98 1.43 0.93 0.00 0.00 0.00 175.76 177.12 3i4c h GLU 128 N 2.02 0.00 -4.53 0.00 5.08 -1.83 -3.42 114.58 111.90 3i4c h GLU 128 Ca -0.28 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.85 3i4c h GLU 128 Cb 1.25 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 3i4c h GLU 128 CO 0.36 0.83 -0.71 0.71 -1.00 0.00 0.00 179.01 179.20 3i4c s TYR 129 N -3.11 0.71 -0.10 4.33 2.02 -1.26 -1.59 117.35 118.36 3i4c s TYR 129 Ca -0.00 -0.72 -0.13 0.00 -0.37 0.00 0.00 57.07 55.85 3i4c s TYR 129 Cb 0.11 -0.43 0.03 0.00 -0.40 0.00 0.00 41.96 41.27 3i4c s TYR 129 CO 0.79 -0.15 0.34 0.54 -1.57 0.00 0.00 175.55 175.51 3i4c s VAL 130 N -2.51 0.01 -0.13 0.71 0.11 -0.17 -4.89 120.40 113.53 3i4c s VAL 130 Ca -0.00 -0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 58.80 3i4c s VAL 130 Cb -0.02 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 3i4c s VAL 130 CO -0.03 -0.06 0.30 -0.63 -3.33 0.00 0.00 175.10 171.35 3i4c s ILE 131 N -0.19 5.28 -0.31 7.04 -1.09 -1.26 -0.46 121.20 130.21 3i4c s ILE 131 Ca -0.03 0.57 -0.10 0.00 -2.23 0.00 0.00 60.65 58.86 3i4c s ILE 131 Cb -0.03 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 3i4c s ILE 131 CO 0.01 0.43 0.16 -0.69 -1.23 0.00 0.00 174.94 173.62 3i4c s VAL 132 N 0.14 4.67 0.30 2.92 1.01 0.31 -4.96 120.40 124.79 3i4c s VAL 132 Ca 0.18 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3i4c s VAL 132 Cb -0.13 -3.37 0.30 0.00 0.00 0.00 0.00 36.38 33.17 3i4c s VAL 132 CO 0.05 0.08 1.69 -0.65 0.00 0.00 0.00 175.10 176.27 3i4c h PRO 133 N 8.36 0.38 -3.44 2.72 0.11 -1.91 -1.70 132.00 136.52 3i4c h PRO 133 Ca -0.32 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.53 3i4c h PRO 133 Cb 1.15 -0.09 -0.30 0.00 0.11 0.00 0.00 31.00 31.87 3i4c h PRO 133 CO 0.61 0.25 -0.64 -1.58 -0.21 0.00 0.00 178.00 176.44 3i4c s HIS 134 N -5.86 -0.09 0.62 0.65 2.46 -1.26 -3.27 115.29 108.55 3i4c s HIS 134 Ca -0.11 0.28 0.35 0.00 0.47 0.00 0.00 55.06 56.05 3i4c s HIS 134 Cb 0.26 -0.06 1.98 0.00 -0.13 0.00 0.00 32.58 34.63 3i4c s HIS 134 CO 0.78 -0.09 2.23 0.10 -2.47 0.00 0.00 174.74 175.29 3i4c h TYR 135 N 6.64 0.00 0.00 3.88 -0.00 -1.52 -2.70 116.97 123.27 3i4c h TYR 135 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.39 3i4c h TYR 135 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.90 3i4c h TYR 135 CO 0.43 0.00 0.00 1.57 -0.00 0.00 0.00 178.16 180.16 3i4c h LYS 136 N 0.00 0.00 -0.05 0.10 2.10 -1.95 -1.99 116.57 114.78 3i4c h LYS 136 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3i4c h LYS 136 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 3i4c h LYS 136 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3i4c n TYR 137 N -2.60 0.06 -3.08 0.07 4.01 -1.02 -4.89 117.16 109.71 3i4c n TYR 137 Ca -0.01 -0.03 -0.20 0.00 -0.16 0.00 0.00 57.90 57.50 3i4c n TYR 137 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 3i4c n TYR 137 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3i4c s MET 138 N -1.94 2.95 -0.09 -0.72 -1.94 -0.75 -0.85 119.30 115.96 3i4c s MET 138 Ca 0.37 -0.83 -0.03 0.00 -1.71 0.00 0.00 55.69 53.48 3i4c s MET 138 Cb 0.19 -2.66 0.05 0.00 2.01 0.00 0.00 34.83 34.41 3i4c s MET 138 CO 0.30 -0.25 0.15 -0.47 -0.01 0.00 0.00 175.02 174.74 3i4c s TYR 139 N -2.44 -0.13 -0.04 -0.03 6.14 -0.63 -4.96 117.35 115.26 3i4c s TYR 139 Ca 0.50 0.47 -0.30 0.00 0.64 0.00 0.00 57.07 58.38 3i4c s TYR 139 Cb -0.10 -0.33 -0.05 0.00 0.42 0.00 0.00 41.96 41.90 3i4c s TYR 139 CO 0.35 -0.31 1.55 0.15 0.64 0.00 0.00 175.55 177.94 3i4c s LYS 140 N 2.27 4.21 0.03 4.97 1.02 -1.26 -1.73 119.74 129.25 3i4c s LYS 140 Ca 0.04 2.10 -0.25 0.00 0.02 0.00 0.00 55.97 57.87 3i4c s LYS 140 Cb -0.13 -3.82 -0.05 0.00 -0.52 0.00 0.00 37.83 33.31 3i4c s LYS 140 CO -0.06 -0.76 0.78 -0.51 -0.92 0.00 0.00 175.35 173.88 3i4c s LEU 141 N 3.44 4.43 0.00 3.17 1.43 0.01 -4.93 118.68 126.23 3i4c s LEU 141 Ca 0.69 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 3i4c s LEU 141 Cb -0.32 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3i4c s LEU 141 CO 0.27 -0.02 0.00 0.54 0.23 0.00 0.00 176.35 177.37 3i4c n ARG 142 N 2.99 2.89 -0.02 1.70 1.74 -1.26 -4.68 116.66 120.01 3i4c n ARG 142 Ca -0.02 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.04 3i4c n ARG 142 Cb 0.50 -0.93 -0.02 0.00 -1.02 0.00 0.00 32.46 30.99 3i4c n ARG 142 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i4c n ARG 143 N -1.68 1.40 -2.81 5.56 5.12 -1.26 -5.05 116.66 117.94 3i4c n ARG 143 Ca 0.00 0.02 -0.32 0.00 -1.93 0.00 0.00 57.85 55.62 3i4c n ARG 143 Cb 0.34 -1.09 -0.05 0.00 -1.16 0.00 0.00 32.46 30.50 3i4c n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i4c s LEU 144 N -4.88 3.86 0.39 0.55 1.43 -1.26 -5.09 118.68 113.68 3i4c s LEU 144 Ca -0.05 1.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.50 3i4c s LEU 144 Cb 0.01 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.99 3i4c s LEU 144 CO 0.12 -0.39 0.53 0.54 0.23 0.00 0.00 176.35 177.39 3i4c s ASN 145 N -2.73 5.79 0.21 2.29 2.20 -1.26 -4.88 114.94 116.57 3i4c s ASN 145 Ca 0.56 -0.31 -0.11 0.00 -0.94 0.00 0.00 52.86 52.06 3i4c s ASN 145 Cb -0.10 -0.91 0.29 0.00 -2.00 0.00 0.00 41.25 38.52 3i4c s ASN 145 CO 0.24 -0.63 1.66 0.00 -2.94 0.00 0.00 177.10 175.44 3i4c h ALA 146 N 0.73 0.59 -0.82 3.54 0.00 -1.93 -1.79 119.26 119.58 3i4c h ALA 146 Ca -0.43 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3i4c h ALA 146 Cb 1.27 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 3i4c h ALA 146 CO 0.48 -0.39 0.47 0.28 0.00 0.00 0.00 179.25 180.10 3i4c h VAL 147 N 0.11 1.24 -0.16 0.00 2.07 -1.93 -1.18 116.25 116.41 3i4c h VAL 147 Ca 0.32 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3i4c h VAL 147 Cb 0.51 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3i4c h VAL 147 CO -0.52 0.26 -0.44 -0.33 0.02 0.00 0.00 177.57 176.55 3i4c h GLU 148 N 1.14 0.38 0.23 1.57 5.08 -1.80 -3.32 114.58 117.85 3i4c h GLU 148 Ca 0.29 -0.20 -0.33 0.00 -1.00 0.00 0.00 59.36 58.13 3i4c h GLU 148 Cb -0.01 0.01 0.04 0.00 0.50 0.00 0.00 28.75 29.29 3i4c h GLU 148 CO -0.05 0.75 -1.42 0.00 -1.00 0.00 0.00 179.01 177.28 3i4c h ALA 149 N 1.23 -0.14 -0.80 3.43 0.00 -1.08 -3.40 119.26 118.50 3i4c h ALA 149 Ca 0.02 -0.84 0.11 0.00 0.00 0.00 0.00 54.91 54.21 3i4c h ALA 149 Cb 0.90 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 3i4c h ALA 149 CO 0.08 0.68 -0.44 0.00 0.00 0.00 0.00 179.25 179.56 3i4c h ALA 150 N 0.17 -0.18 -0.25 0.00 0.00 -1.32 0.10 119.26 117.78 3i4c h ALA 150 Ca -0.24 0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i4c h ALA 150 Cb 2.12 1.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.94 3i4c h ALA 150 CO 0.27 -0.78 0.19 -1.35 0.00 0.00 0.00 179.25 177.58 3i4c h PRO 151 N -0.10 0.00 0.00 0.00 0.11 -1.77 -1.95 132.00 128.29 3i4c h PRO 151 Ca 0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 3i4c h PRO 151 Cb 0.55 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 3i4c h PRO 151 CO -0.84 0.00 -0.16 -0.07 -0.21 0.00 0.00 178.00 176.72 3i4c h LEU 152 N 0.00 0.00 0.00 2.35 3.38 -1.18 -1.34 115.31 118.52 3i4c h LEU 152 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i4c h LEU 152 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3i4c h LEU 152 CO -0.00 0.16 0.00 0.35 0.09 0.00 0.00 178.44 179.04 3i4c n THR 153 N -3.77 0.89 0.00 0.22 -2.24 -0.73 -1.60 114.28 107.05 3i4c n THR 153 Ca -0.02 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3i4c n THR 153 Cb 0.27 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 3i4c n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i4c h SER 155 N 0.00 0.23 0.35 0.00 0.02 -1.46 -1.69 113.55 111.00 3i4c h SER 155 Ca 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3i4c h SER 155 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3i4c h SER 155 CO 0.00 0.49 -0.17 1.23 -1.14 0.00 0.00 176.83 177.24 3i4c h GLY 156 N 0.95 -0.49 0.64 -3.77 0.00 -1.44 -0.46 103.07 98.50 3i4c h GLY 156 Ca 0.03 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.59 3i4c h GLY 156 CO 0.04 -0.18 0.07 -2.22 0.00 0.00 0.00 176.54 174.25 3i4c h ILE 157 N -0.75 0.85 -0.13 2.60 2.04 -1.26 -0.26 117.51 120.61 3i4c h ILE 157 Ca -0.05 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3i4c h ILE 157 Cb 0.51 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3i4c h ILE 157 CO 0.08 0.03 -0.07 0.74 0.00 0.00 0.00 178.15 178.93 3i4c h THR 158 N 0.19 0.78 -0.35 -0.27 2.02 -1.27 -1.56 112.91 112.46 3i4c h THR 158 Ca 0.15 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.21 3i4c h THR 158 Cb 0.16 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3i4c h THR 158 CO -0.19 0.00 -0.27 0.74 0.37 0.00 0.00 175.52 176.17 3i4c h THR 159 N -0.06 1.28 -0.75 3.16 2.02 -0.89 -1.66 112.91 116.00 3i4c h THR 159 Ca 0.07 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 3i4c h THR 159 Cb 0.17 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3i4c h THR 159 CO -0.17 0.46 0.33 0.22 0.37 0.00 0.00 175.52 176.73 3i4c h TYR 160 N 0.62 1.10 -0.21 3.16 5.03 -0.77 -1.60 116.97 124.30 3i4c h TYR 160 Ca 0.08 -0.07 -0.17 0.00 2.58 0.00 0.00 58.73 61.15 3i4c h TYR 160 Cb 0.78 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.72 3i4c h TYR 160 CO 0.04 0.82 -0.56 -0.09 -1.32 0.00 0.00 178.16 177.05 3i4c h ARG 161 N 1.06 0.66 -0.78 1.82 2.43 -1.15 -2.57 114.38 115.85 3i4c h ARG 161 Ca 0.25 -0.42 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 3i4c h ARG 161 Cb 0.16 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3i4c h ARG 161 CO -0.03 1.04 0.35 0.00 -1.51 0.00 0.00 179.97 179.82 3i4c h ALA 162 N 0.87 1.01 -0.56 2.80 0.00 -1.00 -0.61 119.26 121.76 3i4c h ALA 162 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3i4c h ALA 162 Cb 1.13 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3i4c h ALA 162 CO 0.11 0.60 0.15 0.28 0.00 0.00 0.00 179.25 180.39 3i4c h VAL 163 N 1.11 1.24 -0.80 0.00 2.07 -1.24 -2.40 116.25 116.24 3i4c h VAL 163 Ca 0.26 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3i4c h VAL 163 Cb 0.16 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3i4c h VAL 163 CO -0.03 0.32 0.40 -0.09 0.02 0.00 0.00 177.57 178.19 3i4c h ARG 164 N 0.80 1.14 0.00 1.57 2.43 -1.04 -1.74 114.38 117.54 3i4c h ARG 164 Ca 0.18 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i4c h ARG 164 Cb 0.33 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3i4c h ARG 164 CO -0.00 0.87 0.00 0.87 -1.51 0.00 0.00 179.97 180.20 3i4c h LYS 165 N 1.12 0.00 0.00 0.20 1.57 -0.72 -2.02 116.57 116.73 3i4c h LYS 165 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3i4c h LYS 165 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3i4c h LYS 165 CO -0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.84 3i4c n ALA 166 N -1.99 1.92 -3.81 3.86 0.00 -0.65 -4.92 120.51 114.92 3i4c n ALA 166 Ca -0.01 -0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 3i4c n ALA 166 Cb 0.17 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.29 3i4c n ALA 166 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i4c n SER 167 N -1.78 -4.08 -4.90 0.00 7.64 -0.76 -4.79 113.62 104.96 3i4c n SER 167 Ca 0.04 -1.06 -0.29 0.00 1.01 0.00 0.00 58.87 58.57 3i4c n SER 167 Cb 0.26 -3.02 -0.02 0.00 -1.01 0.00 0.00 64.21 60.42 3i4c n SER 167 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i4c s LEU 168 N -6.74 3.88 0.26 -3.43 1.43 -1.26 -5.07 118.68 107.75 3i4c s LEU 168 Ca 0.38 0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 54.20 3i4c s LEU 168 Cb -0.15 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.32 3i4c s LEU 168 CO 0.89 -0.36 0.61 1.51 0.23 0.00 0.00 176.35 179.23 3i4c s ASP 169 N -3.43 -0.19 0.48 2.29 1.47 -1.26 -4.95 116.67 111.08 3i4c s ASP 169 Ca 0.47 -0.74 0.25 0.00 1.18 0.00 0.00 52.55 53.71 3i4c s ASP 169 Cb -0.10 0.66 1.38 0.00 -0.34 0.00 0.00 42.92 44.52 3i4c s ASP 169 CO 0.34 -1.24 1.75 -0.65 0.68 0.00 0.00 175.17 176.04 3i4c h PRO 170 N 2.12 0.00 -0.01 2.11 0.11 -1.73 -1.51 132.00 133.08 3i4c h PRO 170 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3i4c h PRO 170 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i4c h PRO 170 CO 0.29 0.00 -0.21 0.25 -0.21 0.00 0.00 178.00 178.12 3i4c n THR 171 N -2.51 0.00 -3.80 -1.15 -2.24 -1.26 -4.72 114.28 98.59 3i4c n THR 171 Ca -0.02 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 3i4c n THR 171 Cb 0.22 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 3i4c n THR 171 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i4c s LYS 172 N -2.39 2.50 -0.04 -0.78 1.02 -0.57 -5.03 119.74 114.45 3i4c s LYS 172 Ca 0.27 -1.53 0.04 0.00 0.02 0.00 0.00 55.97 54.77 3i4c s LYS 172 Cb 0.20 -2.30 -0.00 0.00 -0.52 0.00 0.00 37.83 35.20 3i4c s LYS 172 CO 0.48 -0.06 -0.16 0.99 -0.92 0.00 0.00 175.35 175.68 3i4c s THR 173 N -2.45 1.32 -0.06 2.17 2.01 -1.26 -1.54 115.64 115.83 3i4c s THR 173 Ca 0.44 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.79 3i4c s THR 173 Cb -0.03 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 3i4c s THR 173 CO 0.26 0.38 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.25 3i4c s LEU 174 N -0.01 2.98 -0.18 4.42 2.96 0.93 -1.22 118.68 128.56 3i4c s LEU 174 Ca -0.02 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3i4c s LEU 174 Cb -0.10 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3i4c s LEU 174 CO 0.01 0.35 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.13 3i4c s LEU 175 N -0.73 3.11 -0.25 -0.68 2.96 -0.36 -0.14 118.68 122.60 3i4c s LEU 175 Ca 0.11 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3i4c s LEU 175 Cb -0.11 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 3i4c s LEU 175 CO 0.01 0.09 0.02 -0.69 -1.32 0.00 0.00 176.35 174.46 3i4c s VAL 176 N 0.81 3.76 0.19 1.68 1.01 0.02 -1.18 120.40 126.69 3i4c s VAL 176 Ca -0.01 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 3i4c s VAL 176 Cb -0.15 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.36 3i4c s VAL 176 CO 0.02 0.30 0.89 -0.69 0.00 0.00 0.00 175.10 175.62 3i4c s VAL 177 N 1.52 4.24 -1.29 2.92 1.01 -0.80 -1.61 120.40 126.38 3i4c s VAL 177 Ca 0.05 1.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.92 3i4c s VAL 177 Cb -0.15 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.97 3i4c s VAL 177 CO -0.00 0.48 1.11 0.61 0.00 0.00 0.00 175.10 177.30 3i4c n GLY 178 N 1.65 -0.47 0.10 4.51 0.00 0.39 -4.51 105.19 106.86 3i4c n GLY 178 Ca -0.03 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3i4c n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c n ALA 179 N -4.72 1.13 1.10 4.61 0.00 -0.02 -1.76 120.51 120.86 3i4c n ALA 179 Ca -0.07 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.61 3i4c n ALA 179 Cb 0.59 -1.22 0.16 0.00 0.00 0.00 0.00 19.45 18.97 3i4c n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4c n GLY 180 N -1.15 -0.32 3.96 0.00 0.00 -1.26 -2.58 105.19 103.84 3i4c n GLY 180 Ca -0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 3i4c n GLY 180 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i4c s GLY 181 N -2.53 1.80 0.11 -0.02 0.00 -0.72 -4.72 107.32 101.25 3i4c s GLY 181 Ca 0.20 -1.48 -0.24 0.00 0.00 0.00 0.00 44.72 43.21 3i4c s GLY 181 CO 0.57 -0.72 1.68 -1.33 0.00 0.00 0.00 173.10 173.30 3i4c h GLY 182 N -1.40 -0.15 1.56 0.20 0.00 -1.93 0.28 103.07 101.63 3i4c h GLY 182 Ca -0.41 0.15 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 3i4c h GLY 182 CO 0.34 -0.13 -0.65 1.41 0.00 0.00 0.00 176.54 177.51 3i4c h LEU 183 N -0.21 0.51 0.07 3.11 4.07 -1.94 -3.00 115.31 117.92 3i4c h LEU 183 Ca 0.05 -0.31 -0.00 0.00 0.08 0.00 0.00 57.88 57.70 3i4c h LEU 183 Cb 0.27 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3i4c h LEU 183 CO -0.13 1.03 -0.03 1.23 -1.08 0.00 0.00 178.44 179.45 3i4c h GLY 184 N 1.21 -0.10 1.29 0.83 0.00 -1.60 -0.62 103.07 104.09 3i4c h GLY 184 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3i4c h GLY 184 CO 0.11 -0.04 0.18 -0.91 0.00 0.00 0.00 176.54 175.89 3i4c h THR 185 N -0.10 1.23 -0.41 4.70 1.35 -0.67 -1.19 112.91 117.81 3i4c h THR 185 Ca -0.01 -0.79 0.01 0.00 -0.55 0.00 0.00 66.41 65.06 3i4c h THR 185 Cb 0.08 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.06 3i4c h THR 185 CO 0.02 0.30 0.26 -0.03 -0.25 0.00 0.00 175.52 175.82 3i4c h MET 186 N 0.87 0.52 -0.54 4.72 -1.53 -1.34 0.22 114.93 117.85 3i4c h MET 186 Ca 0.20 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.41 3i4c h MET 186 Cb 0.26 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.17 3i4c h MET 186 CO -0.01 0.35 0.29 0.00 0.14 0.00 0.00 176.91 177.67 3i4c h ALA 187 N 1.16 0.69 -0.35 0.39 0.00 -0.66 -0.40 119.26 120.10 3i4c h ALA 187 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i4c h ALA 187 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3i4c h ALA 187 CO -0.04 0.23 0.22 0.28 0.00 0.00 0.00 179.25 179.94 3i4c h VAL 188 N 0.73 1.10 -0.44 0.00 2.07 -0.78 0.40 116.25 119.32 3i4c h VAL 188 Ca 0.19 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3i4c h VAL 188 Cb 0.07 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3i4c h VAL 188 CO -0.03 0.10 0.21 1.56 0.02 0.00 0.00 177.57 179.43 3i4c h GLN 189 N 0.46 0.63 -0.26 1.57 4.20 -0.67 -0.13 115.11 120.91 3i4c h GLN 189 Ca 0.13 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3i4c h GLN 189 Cb -0.03 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3i4c h GLN 189 CO -0.03 0.55 0.07 0.82 -0.67 0.00 0.00 178.83 179.56 3i4c h ILE 190 N 0.57 1.21 -0.99 2.54 2.04 -0.86 0.05 117.51 122.08 3i4c h ILE 190 Ca 0.15 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3i4c h ILE 190 Cb 0.12 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3i4c h ILE 190 CO -0.02 0.23 0.65 0.00 0.00 0.00 0.00 178.15 179.01 3i4c h ALA 191 N 0.89 1.26 -0.49 1.87 0.00 -0.79 0.69 119.26 122.69 3i4c h ALA 191 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3i4c h ALA 191 Cb 0.28 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3i4c h ALA 191 CO 0.00 0.62 -0.11 -0.22 0.00 0.00 0.00 179.25 179.55 3i4c h LYS 192 N 1.32 0.90 0.00 0.00 1.63 -0.74 -2.25 116.57 117.43 3i4c h LYS 192 Ca 0.37 -0.31 -0.11 0.00 -0.85 0.00 0.00 60.65 59.75 3i4c h LYS 192 Cb -0.13 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 3i4c h LYS 192 CO -0.09 0.96 -0.57 0.00 -3.45 0.00 0.00 179.45 176.30 3i4c h ALA 193 N 1.07 0.67 -0.00 5.00 0.00 -0.32 -3.40 119.26 122.27 3i4c h ALA 193 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i4c h ALA 193 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i4c h ALA 193 CO 0.04 0.64 -0.16 1.33 0.00 0.00 0.00 179.25 181.11 3i4c n VAL 194 N -3.20 0.00 0.00 0.00 0.24 0.17 -4.89 118.33 110.66 3i4c n VAL 194 Ca 0.01 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3i4c n VAL 194 Cb 0.74 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 3i4c n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i4c n SER 195 N -0.47 3.84 0.00 -1.34 3.41 -0.85 -5.01 113.62 113.20 3i4c n SER 195 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3i4c n SER 195 Cb 0.13 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3i4c n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4c n GLY 196 N 2.77 0.83 3.80 5.00 0.00 -1.25 -3.43 105.19 112.92 3i4c n GLY 196 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3i4c n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c s ALA 197 N -3.25 2.67 0.23 4.61 0.00 -1.25 -4.25 121.76 120.52 3i4c s ALA 197 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 3i4c s ALA 197 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 3i4c s ALA 197 CO 0.00 -1.04 0.93 0.99 0.00 0.00 0.00 175.76 176.64 3i4c s THR 198 N -2.66 4.09 -0.09 0.00 2.01 -0.59 -4.89 115.64 113.51 3i4c s THR 198 Ca 0.62 2.06 0.04 0.00 0.31 0.00 0.00 61.69 64.72 3i4c s THR 198 Cb -0.16 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.04 3i4c s THR 198 CO 0.44 0.50 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.03 3i4c s ILE 199 N -1.17 1.87 -0.20 1.82 1.01 -1.26 -0.05 121.20 123.23 3i4c s ILE 199 Ca 0.41 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 3i4c s ILE 199 Cb -0.26 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3i4c s ILE 199 CO 0.32 0.52 -0.09 -0.63 0.00 0.00 0.00 174.94 175.06 3i4c s ILE 200 N 0.32 3.10 -0.14 2.92 1.01 0.81 -0.80 121.20 128.41 3i4c s ILE 200 Ca -0.16 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 3i4c s ILE 200 Cb -0.17 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 3i4c s ILE 200 CO 0.07 0.46 -0.04 -0.83 0.00 0.00 0.00 174.94 174.61 3i4c s GLY 201 N 1.22 1.73 0.02 6.18 0.00 0.26 -0.80 107.32 115.92 3i4c s GLY 201 Ca 0.02 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 44.00 3i4c s GLY 201 CO -0.03 -0.17 -0.23 0.54 0.00 0.00 0.00 173.10 173.20 3i4c s VAL 202 N 0.14 1.86 0.38 1.40 0.11 -0.63 -1.12 120.40 122.54 3i4c s VAL 202 Ca -0.01 -1.15 -0.08 0.00 -2.93 0.00 0.00 61.98 57.82 3i4c s VAL 202 Cb -0.14 -1.58 0.03 0.00 -1.53 0.00 0.00 36.38 33.17 3i4c s VAL 202 CO 0.03 0.39 0.63 -0.67 -3.33 0.00 0.00 175.10 172.15 3i4c n ASP 203 N 2.14 -1.80 -0.50 3.54 -0.08 -0.74 -0.46 116.55 118.65 3i4c n ASP 203 Ca -0.16 -2.80 0.07 0.00 -1.51 0.00 0.00 54.79 50.38 3i4c n ASP 203 Cb 0.52 3.17 0.05 0.00 2.34 0.00 0.00 41.12 47.20 3i4c n ASP 203 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3i4c n VAL 204 N -0.57 0.00 -4.15 5.18 0.24 -1.26 -0.72 118.33 117.05 3i4c n VAL 204 Ca -0.04 -0.48 -0.16 0.00 -2.04 0.00 0.00 64.34 61.63 3i4c n VAL 204 Cb 0.60 1.26 -0.12 0.00 -1.47 0.00 0.00 33.84 34.11 3i4c n VAL 204 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i4c s ARG 205 N -1.20 0.68 0.30 7.34 0.52 -1.26 -4.37 118.95 120.95 3i4c s ARG 205 Ca 0.15 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 3i4c s ARG 205 Cb 0.11 -0.57 0.47 0.00 0.52 0.00 0.00 34.95 35.48 3i4c s ARG 205 CO 0.19 0.13 1.96 1.49 0.02 0.00 0.00 175.30 179.09 3i4c h GLU 206 N 4.60 1.06 -0.50 3.54 4.57 -1.98 0.41 114.58 126.28 3i4c h GLU 206 Ca -0.37 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 57.67 3i4c h GLU 206 Cb 1.19 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 3i4c h GLU 206 CO 0.42 0.70 0.02 1.49 -1.18 0.00 0.00 179.01 180.45 3i4c h GLU 207 N 1.09 0.83 -0.31 1.92 4.57 -1.99 -0.72 114.58 119.96 3i4c h GLU 207 Ca 0.31 -0.22 -0.13 0.00 -1.18 0.00 0.00 59.36 58.14 3i4c h GLU 207 Cb -0.08 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3i4c h GLU 207 CO -0.08 0.82 -0.31 0.00 -1.18 0.00 0.00 179.01 178.26 3i4c h ALA 208 N 1.24 0.46 -0.70 2.92 0.00 -1.67 -1.64 119.26 119.87 3i4c h ALA 208 Ca 0.15 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.70 3i4c h ALA 208 Cb 0.44 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3i4c h ALA 208 CO 0.02 0.50 0.46 0.28 0.00 0.00 0.00 179.25 180.51 3i4c h VAL 209 N 0.53 1.05 -0.31 0.00 2.07 -0.59 -0.14 116.25 118.86 3i4c h VAL 209 Ca 0.05 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 3i4c h VAL 209 Cb 0.89 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3i4c h VAL 209 CO 0.08 0.14 -0.44 -0.08 0.02 0.00 0.00 177.57 177.29 3i4c h GLU 210 N 0.77 0.80 -0.35 1.57 4.57 -0.79 -2.44 114.58 118.71 3i4c h GLU 210 Ca 0.29 -0.45 -0.07 0.00 -1.18 0.00 0.00 59.36 57.95 3i4c h GLU 210 Cb 0.18 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3i4c h GLU 210 CO -0.09 1.08 -0.09 0.00 -1.18 0.00 0.00 179.01 178.73 3i4c h ALA 211 N 0.85 1.19 -0.68 2.92 0.00 -0.26 -1.90 119.26 121.37 3i4c h ALA 211 Ca 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3i4c h ALA 211 Cb 1.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3i4c h ALA 211 CO 0.10 0.52 0.26 0.00 0.00 0.00 0.00 179.25 180.13 3i4c h ALA 212 N 1.35 0.88 -0.22 0.00 0.00 -0.86 -1.20 119.26 119.21 3i4c h ALA 212 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3i4c h ALA 212 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i4c h ALA 212 CO 0.03 0.52 0.11 0.87 0.00 0.00 0.00 179.25 180.77 3i4c h LYS 213 N 0.97 0.31 0.00 0.00 1.57 -1.01 -2.33 116.57 116.08 3i4c h LYS 213 Ca 0.22 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3i4c h LYS 213 Cb 0.23 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3i4c h LYS 213 CO -0.02 0.32 -0.11 0.00 -0.57 0.00 0.00 179.45 179.08 3i4c h ARG 214 N 0.22 0.00 0.00 3.15 3.08 -1.13 -1.30 114.38 118.40 3i4c h ARG 214 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3i4c h ARG 214 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3i4c h ARG 214 CO -0.01 0.11 -0.05 0.00 -1.07 0.00 0.00 179.97 178.95 3i4c h ALA 215 N 1.89 1.00 0.00 0.04 0.00 -0.71 -3.47 119.26 118.01 3i4c h ALA 215 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i4c h ALA 215 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i4c h ALA 215 CO 0.01 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3i4c n GLY 216 N 0.32 1.27 3.73 0.00 0.00 -0.49 -3.95 105.19 106.07 3i4c n GLY 216 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3i4c n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c s ALA 217 N -2.00 3.80 0.23 4.61 0.00 -0.96 -4.88 121.76 122.55 3i4c s ALA 217 Ca 0.00 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.48 3i4c s ALA 217 Cb 0.00 -3.65 0.22 0.00 0.00 0.00 0.00 23.12 19.69 3i4c s ALA 217 CO 0.00 -0.89 1.56 -0.44 0.00 0.00 0.00 175.76 175.99 3i4c h ASP 218 N 5.89 0.42 -4.69 0.00 3.32 -1.33 -3.44 116.42 116.59 3i4c h ASP 218 Ca -0.45 -0.22 -0.31 0.00 0.02 0.00 0.00 57.03 56.08 3i4c h ASP 218 Cb 1.21 -0.12 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 3i4c h ASP 218 CO 0.87 0.88 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.22 3i4c s TYR 219 N -3.92 0.79 0.04 4.55 2.02 -0.60 -5.02 117.35 115.21 3i4c s TYR 219 Ca -0.05 -0.48 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3i4c s TYR 219 Cb 0.12 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 41.19 3i4c s TYR 219 CO 0.81 -0.05 -0.06 0.14 -1.57 0.00 0.00 175.55 174.82 3i4c s VAL 220 N -1.33 0.39 -0.01 0.71 -7.23 -1.26 -0.58 120.40 111.09 3i4c s VAL 220 Ca -0.08 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 3i4c s VAL 220 Cb -0.10 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.20 3i4c s VAL 220 CO 0.01 -0.51 0.00 -0.63 -0.31 0.00 0.00 175.10 173.66 3i4c s ILE 221 N -1.78 0.08 -0.51 -0.62 1.01 -0.27 -4.93 121.20 114.17 3i4c s ILE 221 Ca -0.09 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 3i4c s ILE 221 Cb -0.07 -0.14 0.12 0.00 0.01 0.00 0.00 42.46 42.38 3i4c s ILE 221 CO -0.01 0.08 0.45 0.21 0.00 0.00 0.00 174.94 175.66 3i4c s ASN 222 N 0.56 6.05 0.00 3.58 3.84 -1.26 -1.78 114.94 125.92 3i4c s ASN 222 Ca -0.05 -1.76 0.06 0.00 0.21 0.00 0.00 52.86 51.31 3i4c s ASN 222 Cb -0.08 -2.15 0.24 0.00 -0.55 0.00 0.00 41.25 38.72 3i4c s ASN 222 CO -0.01 -0.79 1.18 0.00 -2.79 0.00 0.00 177.10 174.68 3i4c n ALA 223 N 5.15 1.27 0.14 1.71 0.00 0.11 -0.94 120.51 127.94 3i4c n ALA 223 Ca -0.12 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.39 3i4c n ALA 223 Cb 0.41 -1.09 0.05 0.00 0.00 0.00 0.00 19.45 18.81 3i4c n ALA 223 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i4c h SER 224 N 0.00 0.00 0.00 0.00 0.02 -1.76 -3.36 113.55 108.45 3i4c h SER 224 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i4c h SER 224 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3i4c h SER 224 CO 0.00 0.12 -0.85 0.23 -1.14 0.00 0.00 176.83 175.20 3i4c n MET 225 N -2.89 2.43 -4.33 3.45 2.81 -0.51 -5.05 117.12 113.03 3i4c n MET 225 Ca 0.00 -0.04 -0.17 0.00 -1.81 0.00 0.00 57.70 55.69 3i4c n MET 225 Cb 0.60 -1.02 -0.10 0.00 -0.71 0.00 0.00 33.22 31.98 3i4c n MET 225 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3i4c s GLN 226 N -2.13 1.38 -0.61 0.03 -0.21 -0.11 -5.06 119.66 112.95 3i4c s GLN 226 Ca 0.00 -1.72 -0.18 0.00 0.02 0.00 0.00 55.36 53.47 3i4c s GLN 226 Cb 0.06 -0.45 0.11 0.00 1.00 0.00 0.00 33.01 33.73 3i4c s GLN 226 CO 0.33 -0.20 0.71 0.34 -2.12 0.00 0.00 175.29 174.35 3i4c s ASP 227 N -3.31 6.22 0.21 5.90 3.68 -1.26 -4.47 116.67 123.63 3i4c s ASP 227 Ca 0.33 -1.53 -0.11 0.00 2.13 0.00 0.00 52.55 53.37 3i4c s ASP 227 Cb 0.07 -2.29 0.27 0.00 -1.45 0.00 0.00 42.92 39.51 3i4c s ASP 227 CO 0.11 -1.08 1.68 1.55 0.13 0.00 0.00 175.17 177.56 3i4c h PRO 228 N 9.11 0.15 -0.93 4.34 0.13 -1.90 -1.88 132.00 141.01 3i4c h PRO 228 Ca -0.27 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.92 3i4c h PRO 228 Cb 1.08 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 3i4c h PRO 228 CO 1.09 0.10 0.61 -0.07 -0.23 0.00 0.00 178.00 179.49 3i4c h LEU 229 N 0.16 0.93 -0.28 1.56 3.38 -1.97 0.09 115.31 119.19 3i4c h LEU 229 Ca 0.30 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 3i4c h LEU 229 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i4c h LEU 229 CO -0.46 0.59 -0.21 0.00 0.09 0.00 0.00 178.44 178.44 3i4c h ALA 230 N 1.50 0.40 -0.46 1.53 0.00 -1.79 -2.40 119.26 118.05 3i4c h ALA 230 Ca 0.41 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3i4c h ALA 230 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i4c h ALA 230 CO -0.16 0.36 0.15 0.93 0.00 0.00 0.00 179.25 180.52 3i4c h GLU 231 N 0.38 0.72 -0.83 0.00 4.39 -0.83 -1.29 114.58 117.12 3i4c h GLU 231 Ca 0.05 -0.16 0.06 0.00 0.34 0.00 0.00 59.36 59.66 3i4c h GLU 231 Cb 0.76 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.25 3i4c h GLU 231 CO 0.06 0.69 0.51 0.82 -1.16 0.00 0.00 179.01 179.92 3i4c h ILE 232 N 0.61 1.04 -0.53 3.13 2.04 -1.00 0.70 117.51 123.51 3i4c h ILE 232 Ca 0.15 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3i4c h ILE 232 Cb 0.27 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 3i4c h ILE 232 CO -0.00 0.17 0.31 -0.09 0.00 0.00 0.00 178.15 178.54 3i4c h ARG 233 N 0.93 0.73 0.02 2.37 2.43 -1.04 -1.01 114.38 118.82 3i4c h ARG 233 Ca 0.36 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3i4c h ARG 233 Cb 0.15 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i4c h ARG 233 CO -0.17 0.54 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.73 3i4c h ARG 234 N 0.71 -0.03 -0.56 0.20 9.65 -0.25 0.97 114.38 125.07 3i4c h ARG 234 Ca 0.19 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.10 3i4c h ARG 234 Cb 0.00 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 3i4c h ARG 234 CO -0.03 0.17 0.34 0.82 2.80 0.00 0.00 179.97 184.06 3i4c h ILE 235 N -0.22 1.06 -0.40 1.20 2.04 -0.76 -2.21 117.51 118.21 3i4c h ILE 235 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3i4c h ILE 235 Cb 0.21 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3i4c h ILE 235 CO 0.01 0.12 0.00 0.35 0.00 0.00 0.00 178.15 178.63 3i4c n THR 236 N -4.77 0.94 -3.90 -0.27 -2.24 -0.39 -4.92 114.28 98.72 3i4c n THR 236 Ca 0.05 -0.66 -0.25 0.00 -2.27 0.00 0.00 64.05 60.92 3i4c n THR 236 Cb 0.08 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 3i4c n THR 236 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i4c n GLU 237 N 0.62 -3.67 -0.80 -0.78 1.02 -0.36 -1.58 120.64 115.09 3i4c n GLU 237 Ca 0.15 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3i4c n GLU 237 Cb 0.52 -4.69 0.00 0.00 -0.02 0.00 0.00 31.44 27.25 3i4c n GLU 237 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i4c n SER 238 N -2.99 -0.25 0.06 1.62 7.64 0.32 -4.87 113.62 115.14 3i4c n SER 238 Ca -0.30 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.43 3i4c n SER 238 Cb 0.68 -1.10 -0.07 0.00 -1.01 0.00 0.00 64.21 62.71 3i4c n SER 238 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3i4c h LYS 239 N 1.66 0.48 0.00 1.43 3.64 -1.53 -3.50 116.57 118.76 3i4c h LYS 239 Ca 0.00 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3i4c h LYS 239 Cb 0.03 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3i4c h LYS 239 CO 0.00 1.18 0.00 0.41 -2.27 0.00 0.00 179.45 178.77 3i4c n GLY 240 N 1.04 0.23 3.90 5.01 0.00 -1.26 -3.98 105.19 110.12 3i4c n GLY 240 Ca -0.08 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 3i4c n GLY 240 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i4c s VAL 241 N -1.22 5.19 -0.53 1.61 -7.23 0.32 -4.48 120.40 114.07 3i4c s VAL 241 Ca 0.00 0.02 0.26 0.00 -1.81 0.00 0.00 61.98 60.45 3i4c s VAL 241 Cb 0.00 -3.62 0.30 0.00 0.56 0.00 0.00 36.38 33.62 3i4c s VAL 241 CO 0.00 0.08 1.75 0.44 -0.31 0.00 0.00 175.10 177.06 3i4c h ASP 242 N 2.97 0.00 -4.83 4.85 3.32 -1.50 0.17 116.42 121.40 3i4c h ASP 242 Ca -0.46 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 3i4c h ASP 242 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 3i4c h ASP 242 CO 0.72 0.00 0.25 0.00 -1.72 0.00 0.00 179.24 178.49 3i4c s ALA 243 N -3.23 -1.80 -0.05 3.45 0.00 -1.19 -1.39 121.76 117.55 3i4c s ALA 243 Ca 0.07 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.44 3i4c s ALA 243 Cb 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3i4c s ALA 243 CO 0.56 -0.36 -0.13 0.08 0.00 0.00 0.00 175.76 175.91 3i4c s VAL 244 N -1.14 1.18 -0.30 0.00 1.01 0.05 -1.22 120.40 119.98 3i4c s VAL 244 Ca -0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3i4c s VAL 244 Cb -0.00 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.37 3i4c s VAL 244 CO 0.08 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.93 3i4c s ILE 245 N 0.39 3.16 -0.64 2.22 1.01 -0.32 0.22 121.20 127.23 3i4c s ILE 245 Ca -0.09 -1.28 -0.06 0.00 0.00 0.00 0.00 60.65 59.21 3i4c s ILE 245 Cb -0.13 -2.78 0.17 0.00 0.01 0.00 0.00 42.46 39.72 3i4c s ILE 245 CO 0.03 -0.09 0.49 -0.62 0.00 0.00 0.00 174.94 174.75 3i4c s ASP 246 N 1.30 5.63 -0.10 3.58 -1.08 0.39 -1.91 116.67 124.48 3i4c s ASP 246 Ca -0.04 -2.66 -0.24 0.00 -0.52 0.00 0.00 52.55 49.09 3i4c s ASP 246 Cb -0.19 -1.95 -0.03 0.00 -1.46 0.00 0.00 42.92 39.29 3i4c s ASP 246 CO -0.00 -0.46 0.74 -0.76 0.52 0.00 0.00 175.17 175.20 3i4c s LEU 247 N 0.22 4.27 -0.98 -1.34 1.43 -1.26 -1.45 118.68 119.58 3i4c s LEU 247 Ca 0.15 1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 54.37 3i4c s LEU 247 Cb -0.19 -3.13 -0.06 0.00 0.03 0.00 0.00 46.19 42.84 3i4c s LEU 247 CO -0.04 -0.21 0.85 -3.20 0.23 0.00 0.00 176.35 173.98 3i4c n ASN 248 N 4.25 -6.29 -4.60 2.29 4.05 0.21 -4.94 115.26 110.23 3i4c n ASN 248 Ca 0.00 -0.66 -0.30 0.00 0.45 0.00 0.00 54.58 54.08 3i4c n ASN 248 Cb 0.51 -4.88 0.20 0.00 1.23 0.00 0.00 39.78 36.84 3i4c n ASN 248 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 3i4c s TYR 249 N -3.36 1.48 0.28 1.20 -0.85 -1.16 -5.04 117.35 109.91 3i4c s TYR 249 Ca 0.42 1.59 0.03 0.00 -0.52 0.00 0.00 57.07 58.59 3i4c s TYR 249 Cb -0.06 -3.26 -0.03 0.00 0.38 0.00 0.00 41.96 39.00 3i4c s TYR 249 CO 0.69 -3.24 0.24 -1.54 -1.52 0.00 0.00 175.55 170.18 3i4c s SER 250 N -2.58 0.96 0.34 -0.18 1.04 -1.26 -4.68 113.70 107.34 3i4c s SER 250 Ca 0.67 -1.57 0.03 0.00 0.48 0.00 0.00 55.95 55.57 3i4c s SER 250 Cb -0.24 0.49 0.62 0.00 0.10 0.00 0.00 66.02 66.99 3i4c s SER 250 CO 0.60 -0.99 1.94 -0.08 0.98 0.00 0.00 173.24 175.69 3i4c h GLU 251 N 2.34 0.68 0.43 4.02 4.81 -1.95 -2.32 114.58 122.59 3i4c h GLU 251 Ca -0.30 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3i4c h GLU 251 Cb 1.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3i4c h GLU 251 CO 0.43 0.56 -0.21 0.87 -0.73 0.00 0.00 179.01 179.93 3i4c h LYS 252 N 0.68 -0.56 -0.78 1.92 1.79 -1.99 -2.84 116.57 114.79 3i4c h LYS 252 Ca 0.17 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.72 3i4c h LYS 252 Cb 0.12 0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 3i4c h LYS 252 CO -0.02 -0.25 0.49 1.79 -1.08 0.00 0.00 179.45 180.38 3i4c h THR 253 N -0.89 1.07 0.00 -0.16 1.35 -1.93 -1.56 112.91 110.80 3i4c h THR 253 Ca -0.06 -0.32 -0.02 0.00 -0.55 0.00 0.00 66.41 65.46 3i4c h THR 253 Cb 0.56 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.05 3i4c h THR 253 CO 0.10 0.17 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.36 3i4c h LEU 254 N 0.92 0.00 0.00 3.87 3.38 -1.47 -1.51 115.31 120.50 3i4c h LEU 254 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3i4c h LEU 254 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i4c h LEU 254 CO -0.14 0.11 -0.86 -1.54 0.09 0.00 0.00 178.44 176.10 3i4c n SER 255 N -3.52 0.67 -0.04 -0.43 3.41 -0.66 -4.48 113.62 108.56 3i4c n SER 255 Ca -0.01 0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 3i4c n SER 255 Cb 0.25 0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 3i4c n SER 255 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3i4c n VAL 256 N -2.13 0.99 0.30 -3.33 0.31 -0.76 -4.79 118.33 108.92 3i4c n VAL 256 Ca 0.02 0.26 0.16 0.00 -0.01 0.00 0.00 64.34 64.77 3i4c n VAL 256 Cb 0.46 -1.95 0.92 0.00 -0.91 0.00 0.00 33.84 32.36 3i4c n VAL 256 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3i4c h TYR 257 N -0.55 0.00 0.00 3.52 0.05 -1.55 -2.26 116.97 116.18 3i4c h TYR 257 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3i4c h TYR 257 Cb 0.55 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 3i4c h TYR 257 CO -0.24 0.03 -0.03 -1.35 -1.05 0.00 0.00 178.16 175.52 3i4c h PRO 258 N 0.00 0.00 0.00 4.88 0.11 -1.79 0.52 132.00 135.73 3i4c h PRO 258 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i4c h PRO 258 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3i4c h PRO 258 CO 0.00 0.03 0.00 0.87 -0.21 0.00 0.00 178.00 178.70 3i4c h LYS 259 N 0.00 0.00 -0.00 1.05 1.57 -1.72 -2.46 116.57 115.00 3i4c h LYS 259 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i4c h LYS 259 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3i4c h LYS 259 CO 0.00 0.00 -0.28 0.00 -0.57 0.00 0.00 179.45 178.61 3i4c n ALA 260 N -1.92 3.06 -1.81 3.86 0.00 0.17 -4.93 120.51 118.94 3i4c n ALA 260 Ca 0.01 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 3i4c n ALA 260 Cb 0.23 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3i4c n ALA 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i4c s LEU 261 N -2.79 4.42 0.71 0.00 1.43 -0.93 -0.52 118.68 121.00 3i4c s LEU 261 Ca 0.18 2.65 -0.05 0.00 -1.03 0.00 0.00 54.13 55.87 3i4c s LEU 261 Cb 0.19 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.85 3i4c s LEU 261 CO 0.58 -0.55 1.01 0.00 0.23 0.00 0.00 176.35 177.62 3i4c s ALA 262 N -0.81 3.28 0.42 4.21 0.00 0.60 -4.64 121.76 124.82 3i4c s ALA 262 Ca 0.51 -1.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 3i4c s ALA 262 Cb -0.40 -2.42 -0.09 0.00 0.00 0.00 0.00 23.12 20.21 3i4c s ALA 262 CO 0.49 -1.37 1.40 0.15 0.00 0.00 0.00 175.76 176.43 3i4c s LYS 263 N -5.22 3.87 0.00 0.00 1.02 -1.26 -0.80 119.74 117.34 3i4c s LYS 263 Ca 0.62 2.38 0.00 0.00 0.02 0.00 0.00 55.97 58.99 3i4c s LYS 263 Cb -0.09 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 3i4c s LYS 263 CO 0.45 -0.65 0.00 1.04 -0.92 0.00 0.00 175.35 175.26 3i4c n GLN 264 N 0.06 -1.05 -2.06 1.68 6.02 0.24 -4.96 117.38 117.32 3i4c n GLN 264 Ca 0.04 0.26 -0.37 0.00 -0.01 0.00 0.00 57.00 56.92 3i4c n GLN 264 Cb 0.42 -4.06 0.01 0.00 1.02 0.00 0.00 30.24 27.63 3i4c n GLN 264 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3i4c s GLY 265 N -2.00 2.81 -0.19 1.08 0.00 0.02 -4.77 107.32 104.26 3i4c s GLY 265 Ca 0.00 1.08 -0.02 0.00 0.00 0.00 0.00 44.72 45.78 3i4c s GLY 265 CO 0.00 1.54 -0.09 0.54 0.00 0.00 0.00 173.10 175.09 3i4c s LYS 266 N -2.88 3.30 -0.49 2.90 1.02 -0.48 -1.32 119.74 121.80 3i4c s LYS 266 Ca 0.69 -0.68 -0.16 0.00 0.02 0.00 0.00 55.97 55.84 3i4c s LYS 266 Cb -0.33 -2.85 0.09 0.00 -0.52 0.00 0.00 37.83 34.22 3i4c s LYS 266 CO 0.39 -0.12 0.43 -0.47 -0.92 0.00 0.00 175.35 174.66 3i4c s TYR 267 N 1.21 3.24 -0.44 3.18 6.14 0.12 -0.77 117.35 130.03 3i4c s TYR 267 Ca 0.02 -1.00 -0.22 0.00 0.64 0.00 0.00 57.07 56.51 3i4c s TYR 267 Cb -0.14 -3.34 0.02 0.00 0.42 0.00 0.00 41.96 38.92 3i4c s TYR 267 CO -0.03 -0.86 0.69 0.08 0.64 0.00 0.00 175.55 176.07 3i4c s VAL 268 N 1.66 4.77 -0.17 3.14 1.01 0.13 -0.64 120.40 130.30 3i4c s VAL 268 Ca 0.04 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 3i4c s VAL 268 Cb -0.26 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 3i4c s VAL 268 CO 0.06 -0.63 0.12 -0.04 0.00 0.00 0.00 175.10 174.61 3i4c s MET 269 N 2.98 3.88 -0.02 2.72 1.00 0.02 -0.46 119.30 129.42 3i4c s MET 269 Ca 0.25 -0.22 0.01 0.00 0.00 0.00 0.00 55.69 55.73 3i4c s MET 269 Cb -0.13 -3.29 0.01 0.00 0.00 0.00 0.00 34.83 31.42 3i4c s MET 269 CO 0.20 0.46 -0.04 0.08 0.00 0.00 0.00 175.02 175.72 3i4c s VAL 270 N -0.10 0.41 -5.00 -6.03 1.01 -0.52 -1.85 120.40 108.31 3i4c s VAL 270 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3i4c s VAL 270 Cb -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3i4c s VAL 270 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3i4c n GLY 271 N 3.61 0.91 0.29 4.51 0.00 -1.26 0.66 105.19 113.91 3i4c n GLY 271 Ca -0.21 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 43.91 3i4c n GLY 271 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4c n LEU 272 N 0.00 0.24 -4.77 0.99 4.77 -1.26 -5.00 117.00 111.98 3i4c n LEU 272 Ca 0.00 -0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 54.73 3i4c n LEU 272 Cb 0.00 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3i4c n LEU 272 CO 0.00 0.21 0.98 0.12 -1.33 0.00 0.00 177.39 177.37 3i4c s PHE 273 N -0.24 2.71 -1.21 -1.77 5.36 -1.26 -4.88 117.98 116.69 3i4c s PHE 273 Ca 0.02 1.38 -0.21 0.00 -0.96 0.00 0.00 56.93 57.16 3i4c s PHE 273 Cb 0.02 -3.72 -0.03 0.00 -0.34 0.00 0.00 43.02 38.95 3i4c s PHE 273 CO 0.00 -2.31 1.85 0.20 -1.46 0.00 0.00 175.22 173.51 3i4c s GLY 274 N -0.72 0.71 0.05 13.12 0.00 -1.26 -4.87 107.32 114.34 3i4c s GLY 274 Ca 0.59 -2.40 -0.01 0.00 0.00 0.00 0.00 44.72 42.89 3i4c s GLY 274 CO 0.50 3.24 -0.01 0.00 0.00 0.00 0.00 173.10 176.83 3i4c s ALA 275 N 8.48 0.40 0.06 3.20 0.00 -1.26 -4.98 121.76 127.66 3i4c s ALA 275 Ca 0.63 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3i4c s ALA 275 Cb 0.01 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 3i4c s ALA 275 CO 0.10 -0.35 -0.08 -0.51 0.00 0.00 0.00 175.76 174.93 3i4c s ASP 276 N -2.68 4.50 -0.11 0.00 1.01 -1.26 -5.08 116.67 113.06 3i4c s ASP 276 Ca 0.03 -0.27 -0.23 0.00 0.71 0.00 0.00 52.55 52.79 3i4c s ASP 276 Cb 0.05 -0.95 -0.03 0.00 1.01 0.00 0.00 42.92 43.00 3i4c s ASP 276 CO -0.09 0.22 0.70 -0.22 0.21 0.00 0.00 175.17 176.00 3i4c s LEU 277 N -1.85 4.26 -0.19 1.23 2.96 -1.26 -4.99 118.68 118.84 3i4c s LEU 277 Ca 0.20 1.10 -0.00 0.00 -0.22 0.00 0.00 54.13 55.21 3i4c s LEU 277 Cb -0.11 -3.05 0.05 0.00 0.50 0.00 0.00 46.19 43.58 3i4c s LEU 277 CO 0.11 -0.19 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.91 3i4c s HIS 278 N 1.22 1.86 -0.10 5.38 3.76 -1.26 -5.12 115.29 121.02 3i4c s HIS 278 Ca 0.35 -1.29 -0.09 0.00 -0.15 0.00 0.00 55.06 53.88 3i4c s HIS 278 Cb -0.17 -1.37 0.03 0.00 1.11 0.00 0.00 32.58 32.18 3i4c s HIS 278 CO 0.15 -0.67 0.27 -0.47 -0.85 0.00 0.00 174.74 173.17 3i4c s TYR 279 N 1.58 -0.30 -0.13 1.40 5.04 -1.26 -4.94 117.35 118.74 3i4c s TYR 279 Ca -0.02 0.73 -0.29 0.00 -2.44 0.00 0.00 57.07 55.05 3i4c s TYR 279 Cb -0.17 0.10 -0.05 0.00 0.35 0.00 0.00 41.96 42.19 3i4c s TYR 279 CO -0.07 -0.15 1.82 -1.58 -1.34 0.00 0.00 175.55 174.22 3i4c s HIS 280 N 0.24 1.71 0.20 4.97 5.65 -1.26 -4.91 115.29 121.89 3i4c s HIS 280 Ca -0.01 0.23 -0.16 0.00 0.25 0.00 0.00 55.06 55.38 3i4c s HIS 280 Cb -0.03 -4.02 0.19 0.00 -1.18 0.00 0.00 32.58 27.54 3i4c s HIS 280 CO -0.00 -3.95 1.62 0.00 -0.65 0.00 0.00 174.74 171.75 3i4c h ALA 281 N 11.25 0.29 -0.62 1.58 0.00 -2.00 -1.00 119.26 128.76 3i4c h ALA 281 Ca -0.40 0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.89 3i4c h ALA 281 Cb 1.19 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 3i4c h ALA 281 CO 0.97 -0.48 0.44 -1.35 0.00 0.00 0.00 179.25 178.82 3i4c h PRO 282 N -0.05 0.07 -0.46 0.00 0.11 -2.00 0.46 132.00 130.13 3i4c h PRO 282 Ca 0.27 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.26 3i4c h PRO 282 Cb 0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3i4c h PRO 282 CO -0.62 0.05 -0.16 -0.07 -0.21 0.00 0.00 178.00 176.99 3i4c h LEU 283 N 0.07 0.90 -0.14 2.35 3.38 -1.57 -1.03 115.31 119.26 3i4c h LEU 283 Ca 0.30 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3i4c h LEU 283 Cb 1.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3i4c h LEU 283 CO -0.02 1.05 0.00 0.40 0.09 0.00 0.00 178.44 179.96 3i4c h ILE 284 N 0.79 1.25 -0.25 1.22 2.04 -0.85 -2.63 117.51 119.08 3i4c h ILE 284 Ca 0.12 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 3i4c h ILE 284 Cb 0.70 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3i4c h ILE 284 CO 0.05 0.24 -0.23 0.71 0.00 0.00 0.00 178.15 178.92 3i4c h THR 285 N -0.01 1.31 -0.38 -0.27 1.35 -1.36 -0.15 112.91 113.40 3i4c h THR 285 Ca 0.04 -1.38 -0.03 0.00 -0.55 0.00 0.00 66.41 64.50 3i4c h THR 285 Cb 0.36 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 3i4c h THR 285 CO 0.01 0.43 0.13 -0.07 -0.25 0.00 0.00 175.52 175.77 3i4c h LEU 286 N 0.30 0.50 -1.35 3.87 3.38 -1.24 -2.98 115.31 117.78 3i4c h LEU 286 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i4c h LEU 286 Cb 0.78 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3i4c h LEU 286 CO 0.06 0.47 -0.23 -1.20 0.09 0.00 0.00 178.44 177.63 3i4c n SER 287 N -4.36 2.30 -3.46 -0.43 7.64 -0.99 -4.98 113.62 109.33 3i4c n SER 287 Ca 0.02 -1.65 -0.25 0.00 1.01 0.00 0.00 58.87 58.00 3i4c n SER 287 Cb 0.16 0.26 0.04 0.00 -1.01 0.00 0.00 64.21 63.66 3i4c n SER 287 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i4c n GLU 288 N 0.52 -5.55 -2.10 1.43 1.02 -0.12 0.82 120.64 116.65 3i4c n GLU 288 Ca 0.10 0.73 -0.28 0.00 -0.02 0.00 0.00 57.16 57.69 3i4c n GLU 288 Cb 0.47 -5.62 0.04 0.00 -0.02 0.00 0.00 31.44 26.32 3i4c n GLU 288 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3i4c s ILE 289 N -3.20 3.41 -0.00 -3.67 -4.36 -0.88 -3.60 121.20 108.89 3i4c s ILE 289 Ca 0.49 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 61.11 3i4c s ILE 289 Cb -0.23 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.06 3i4c s ILE 289 CO 0.60 -0.50 -0.01 -1.10 0.24 0.00 0.00 174.94 174.17 3i4c s GLN 290 N -5.22 0.11 -0.22 0.37 -0.21 -0.43 -4.89 119.66 109.16 3i4c s GLN 290 Ca 0.57 -0.04 -0.05 0.00 0.02 0.00 0.00 55.36 55.86 3i4c s GLN 290 Cb -0.11 -0.12 -0.02 0.00 1.00 0.00 0.00 33.01 33.76 3i4c s GLN 290 CO 0.49 0.02 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.61 3i4c s PHE 291 N 0.03 3.01 -0.06 0.91 0.08 -1.26 0.10 117.98 120.79 3i4c s PHE 291 Ca -0.00 -0.65 0.03 0.00 0.12 0.00 0.00 56.93 56.43 3i4c s PHE 291 Cb -0.01 -2.12 0.01 0.00 -0.57 0.00 0.00 43.02 40.33 3i4c s PHE 291 CO -0.00 -0.39 -0.14 0.14 -0.10 0.00 0.00 175.22 174.73 3i4c s VAL 292 N 1.31 1.23 0.22 -0.44 -7.23 0.18 -4.95 120.40 110.72 3i4c s VAL 292 Ca 0.04 -0.55 -0.00 0.00 -1.81 0.00 0.00 61.98 59.65 3i4c s VAL 292 Cb -0.15 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 3i4c s VAL 292 CO 0.00 0.37 0.41 -0.83 -0.31 0.00 0.00 175.10 174.74 3i4c s GLY 293 N 0.47 1.73 0.02 2.32 0.00 -1.26 -0.80 107.32 109.79 3i4c s GLY 293 Ca -0.12 -0.85 -0.28 0.00 0.00 0.00 0.00 44.72 43.47 3i4c s GLY 293 CO 0.03 -0.80 0.66 -0.45 0.00 0.00 0.00 173.10 172.54 3i4c s SER 294 N -3.28 -0.63 0.00 1.64 0.15 -0.77 -4.91 113.70 105.89 3i4c s SER 294 Ca 0.38 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.53 3i4c s SER 294 Cb -0.11 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3i4c s SER 294 CO 0.30 -0.72 0.00 -0.11 1.20 0.00 0.00 173.24 173.90 3i4c n LEU 295 N 0.50 0.00 0.00 3.45 7.94 -1.26 -4.03 117.00 123.60 3i4c n LEU 295 Ca -0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 3i4c n LEU 295 Cb 0.60 0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.59 3i4c n LEU 295 CO 0.20 -0.20 0.00 1.33 -1.11 0.00 0.00 177.39 177.61 3i4c n VAL 296 N -1.91 0.00 0.00 1.96 0.24 -1.26 -4.66 118.33 112.70 3i4c n VAL 296 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i4c n VAL 296 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i4c n VAL 296 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4c n GLY 297 N 2.73 0.05 0.00 7.63 0.00 -1.26 -4.26 105.19 110.07 3i4c n GLY 297 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3i4c n GLY 297 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i4c n ASN 298 N 0.00 0.67 -0.17 1.61 0.23 -1.26 -4.59 115.26 111.74 3i4c n ASN 298 Ca 0.00 -0.97 0.06 0.00 -0.53 0.00 0.00 54.58 53.14 3i4c n ASN 298 Cb 0.00 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.05 3i4c n ASN 298 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3i4c h GLN 299 N 0.00 0.75 -0.46 -3.83 1.08 -1.93 -1.23 115.11 109.49 3i4c h GLN 299 Ca 0.00 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 3i4c h GLN 299 Cb 0.00 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 3i4c h GLN 299 CO 0.00 0.49 0.01 1.03 -0.95 0.00 0.00 178.83 179.42 3i4c h SER 300 N 0.77 0.79 -0.63 1.46 0.87 -1.95 -0.15 113.55 114.72 3i4c h SER 300 Ca 0.30 -0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 3i4c h SER 300 Cb 0.20 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3i4c h SER 300 CO -0.10 0.90 0.13 0.44 -0.53 0.00 0.00 176.83 177.68 3i4c h ASP 301 N 0.66 0.97 -0.37 6.23 3.32 -1.74 -1.06 116.42 124.42 3i4c h ASP 301 Ca 0.13 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3i4c h ASP 301 Cb 0.48 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3i4c h ASP 301 CO 0.02 0.96 0.12 0.15 -1.72 0.00 0.00 179.24 178.77 3i4c h PHE 302 N 0.93 0.60 -0.85 4.55 3.57 -1.06 -1.28 116.94 123.41 3i4c h PHE 302 Ca 0.19 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3i4c h PHE 302 Cb 0.38 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3i4c h PHE 302 CO 0.03 0.58 0.48 1.25 -2.23 0.00 0.00 178.31 178.41 3i4c h LEU 303 N 0.46 1.05 -0.10 0.59 5.85 -0.82 -1.84 115.31 120.50 3i4c h LEU 303 Ca 0.12 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i4c h LEU 303 Cb 0.26 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3i4c h LEU 303 CO -0.00 0.84 0.01 1.23 -0.34 0.00 0.00 178.44 180.17 3i4c h GLY 304 N 1.18 0.18 1.45 3.75 0.00 -0.87 -1.84 103.07 106.92 3i4c h GLY 304 Ca 0.30 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 3i4c h GLY 304 CO -0.05 0.11 -0.31 1.19 0.00 0.00 0.00 176.54 177.49 3i4c h ILE 305 N -0.09 1.28 -0.27 2.60 6.09 -1.19 -2.22 117.51 123.70 3i4c h ILE 305 Ca 0.03 -1.42 -0.13 0.00 -1.37 0.00 0.00 64.86 61.97 3i4c h ILE 305 Cb 0.32 1.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.98 3i4c h ILE 305 CO 0.00 0.46 -0.36 0.24 -3.07 0.00 0.00 178.15 175.42 3i4c h MET 306 N 0.53 0.62 -0.58 2.19 2.86 -1.33 -0.17 114.93 119.05 3i4c h MET 306 Ca 0.06 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 3i4c h MET 306 Cb 0.79 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 3i4c h MET 306 CO 0.06 0.89 0.04 0.00 1.06 0.00 0.00 176.91 178.95 3i4c h ARG 307 N 0.51 1.00 -0.21 1.72 2.47 -1.17 0.67 114.38 119.37 3i4c h ARG 307 Ca 0.05 -0.30 -0.04 0.00 -1.26 0.00 0.00 59.98 58.44 3i4c h ARG 307 Cb 0.86 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 3i4c h ARG 307 CO 0.07 0.97 -0.01 -0.07 0.56 0.00 0.00 179.97 181.50 3i4c h LEU 308 N 0.89 0.37 -0.18 3.04 3.38 -1.24 -2.34 115.31 119.23 3i4c h LEU 308 Ca 0.17 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3i4c h LEU 308 Cb 0.50 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3i4c h LEU 308 CO 0.02 0.60 0.06 0.00 0.09 0.00 0.00 178.44 179.22 3i4c h ALA 309 N 0.79 0.23 0.00 1.53 0.00 -0.91 0.79 119.26 121.69 3i4c h ALA 309 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i4c h ALA 309 Cb 0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i4c h ALA 309 CO 0.01 -0.16 -0.03 0.93 0.00 0.00 0.00 179.25 180.00 3i4c h GLU 310 N 0.12 0.00 -0.10 0.00 4.39 -0.89 0.08 114.58 118.19 3i4c h GLU 310 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3i4c h GLU 310 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3i4c h GLU 310 CO -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 3i4c n ALA 311 N -2.49 2.55 -0.95 3.43 0.00 -0.88 -4.72 120.51 117.44 3i4c n ALA 311 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3i4c n ALA 311 Cb 0.12 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3i4c n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4c n GLY 312 N 1.14 0.48 0.16 0.00 0.00 0.02 -4.88 105.19 102.12 3i4c n GLY 312 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3i4c n GLY 312 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4c h LYS 313 N 1.21 0.00 -3.45 1.61 1.57 -1.06 -3.41 116.57 113.04 3i4c h LYS 313 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3i4c h LYS 313 Cb 0.18 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.13 3i4c h LYS 313 CO 0.00 0.00 -0.74 0.08 -0.57 0.00 0.00 179.45 178.22 3i4c s VAL 314 N -3.33 -0.04 0.47 0.50 1.01 -1.17 -4.81 120.40 113.03 3i4c s VAL 314 Ca 0.05 0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 3i4c s VAL 314 Cb 0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 36.38 36.23 3i4c s VAL 314 CO 0.49 0.14 0.97 -0.54 0.00 0.00 0.00 175.10 176.16 3i4c s LYS 315 N 1.62 4.09 0.83 2.72 -0.14 -1.26 -4.32 119.74 123.29 3i4c s LYS 315 Ca -0.02 1.06 -0.10 0.00 -1.36 0.00 0.00 55.97 55.55 3i4c s LYS 315 Cb -0.13 -2.16 0.09 0.00 -1.68 0.00 0.00 37.83 33.96 3i4c s LYS 315 CO -0.03 -0.15 1.11 -2.14 -0.76 0.00 0.00 175.35 173.38 3i4c s PRO 316 N -3.55 1.75 0.61 -1.68 0.02 -1.26 -4.99 135.00 125.90 3i4c s PRO 316 Ca 0.61 1.26 -0.15 0.00 0.02 0.00 0.00 61.00 62.74 3i4c s PRO 316 Cb -0.10 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 3i4c s PRO 316 CO 0.21 -2.03 1.06 -1.64 -0.33 0.00 0.00 177.00 174.27 3i4c s MET 317 N -4.82 3.26 -0.00 5.54 -1.94 -1.26 -4.95 119.30 115.12 3i4c s MET 317 Ca 0.63 1.18 -0.30 0.00 -1.71 0.00 0.00 55.69 55.49 3i4c s MET 317 Cb -0.19 -2.03 -0.06 0.00 2.01 0.00 0.00 34.83 34.56 3i4c s MET 317 CO 0.57 -0.85 1.56 0.42 -0.01 0.00 0.00 175.02 176.71 3i4c s ILE 318 N -2.51 3.47 0.19 2.53 1.01 -1.26 -4.87 121.20 119.75 3i4c s ILE 318 Ca 0.63 0.78 0.11 0.00 0.00 0.00 0.00 60.65 62.17 3i4c s ILE 318 Cb -0.16 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3i4c s ILE 318 CO 0.39 -0.03 -0.21 -0.89 0.00 0.00 0.00 174.94 174.20 3i4c s THR 319 N 3.06 2.54 -0.25 2.92 2.01 -1.26 0.27 115.64 124.94 3i4c s THR 319 Ca 0.70 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.78 3i4c s THR 319 Cb -0.34 -2.22 0.07 0.00 0.01 0.00 0.00 72.50 70.01 3i4c s THR 319 CO 0.29 -0.10 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.57 3i4c s LYS 320 N -2.66 1.35 0.32 4.92 1.02 -0.23 -4.87 119.74 119.59 3i4c s LYS 320 Ca 0.21 -0.99 -0.26 0.00 0.02 0.00 0.00 55.97 54.95 3i4c s LYS 320 Cb -0.08 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.63 3i4c s LYS 320 CO 0.11 -0.68 0.94 0.95 -0.92 0.00 0.00 175.35 175.75 3i4c s THR 321 N 1.45 4.21 0.29 2.17 -4.23 -1.26 -1.32 115.64 116.95 3i4c s THR 321 Ca -0.02 1.83 0.01 0.00 -1.18 0.00 0.00 61.69 62.33 3i4c s THR 321 Cb -0.18 -4.02 -0.02 0.00 1.34 0.00 0.00 72.50 69.62 3i4c s THR 321 CO -0.09 0.15 0.31 -0.04 -0.54 0.00 0.00 174.62 174.41 3i4c s MET 322 N -2.04 1.62 0.36 3.99 -1.94 0.45 -4.90 119.30 116.84 3i4c s MET 322 Ca 0.50 -1.77 -0.07 0.00 -1.71 0.00 0.00 55.69 52.64 3i4c s MET 322 Cb -0.19 0.35 -0.05 0.00 2.01 0.00 0.00 34.83 36.95 3i4c s MET 322 CO 0.24 -0.61 0.66 0.15 -0.01 0.00 0.00 175.02 175.44 3i4c s LYS 323 N -3.60 3.67 0.28 2.03 1.02 -1.26 -0.33 119.74 121.56 3i4c s LYS 323 Ca 0.36 0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.54 3i4c s LYS 323 Cb 0.03 -2.52 0.56 0.00 -0.52 0.00 0.00 37.83 35.37 3i4c s LYS 323 CO 0.20 0.07 1.84 1.25 -0.92 0.00 0.00 175.35 177.78 3i4c h LEU 324 N 1.31 0.93 -1.68 3.17 5.85 -1.83 -0.44 115.31 122.61 3i4c h LEU 324 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3i4c h LEU 324 Cb 1.19 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3i4c h LEU 324 CO 0.64 0.49 0.00 -0.33 -0.34 0.00 0.00 178.44 178.91 3i4c h GLU 325 N 0.99 0.00 -0.35 1.25 3.07 -1.94 -2.36 114.58 115.25 3i4c h GLU 325 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3i4c h GLU 325 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3i4c h GLU 325 CO -0.27 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.73 3i4c n GLU 326 N -2.74 1.74 -0.04 2.33 1.02 -0.17 -4.42 120.64 118.35 3i4c n GLU 326 Ca -0.00 -1.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.02 3i4c n GLU 326 Cb 0.18 -1.29 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 3i4c n GLU 326 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i4c h ALA 327 N 3.39 -0.52 -0.72 0.62 0.00 -1.53 0.22 119.26 120.71 3i4c h ALA 327 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3i4c h ALA 327 Cb 0.46 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3i4c h ALA 327 CO 0.03 -0.90 0.39 -0.91 0.00 0.00 0.00 179.25 177.86 3i4c h ASN 328 N -0.43 0.57 -0.10 0.00 2.35 -1.87 -0.82 115.58 115.28 3i4c h ASN 328 Ca 0.10 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3i4c h ASN 328 Cb 0.61 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3i4c h ASN 328 CO -0.46 0.35 0.07 -0.08 -1.65 0.00 0.00 177.43 175.66 3i4c h GLU 329 N 0.70 0.14 -0.45 0.81 4.81 -1.60 0.12 114.58 119.11 3i4c h GLU 329 Ca 0.33 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.63 3i4c h GLU 329 Cb 0.26 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3i4c h GLU 329 CO -0.21 0.09 0.09 0.00 -0.73 0.00 0.00 179.01 178.25 3i4c h ALA 330 N 1.03 0.49 -0.29 2.92 0.00 0.09 -0.31 119.26 123.20 3i4c h ALA 330 Ca 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3i4c h ALA 330 Cb -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i4c h ALA 330 CO -0.01 -0.31 -0.08 0.82 0.00 0.00 0.00 179.25 179.67 3i4c h ILE 331 N 0.22 1.21 -0.45 0.00 2.04 -0.81 -2.55 117.51 117.18 3i4c h ILE 331 Ca 0.22 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 3i4c h ILE 331 Cb 0.28 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3i4c h ILE 331 CO -0.29 0.30 0.27 0.44 0.00 0.00 0.00 178.15 178.87 3i4c h ASP 332 N 0.44 0.54 0.00 1.72 3.32 0.87 -3.46 116.42 119.85 3i4c h ASP 332 Ca 0.09 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3i4c h ASP 332 Cb 0.42 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3i4c h ASP 332 CO 0.02 0.44 0.00 0.59 -1.72 0.00 0.00 179.24 178.57 3i4c n ASN 333 N -4.73 0.00 -0.16 6.45 3.02 -0.47 -5.10 115.26 114.27 3i4c n ASN 333 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3i4c n ASN 333 Cb 0.05 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3i4c n ASN 333 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i4c n GLY 341 N 2.69 0.00 3.68 7.41 0.00 -1.26 -5.06 105.19 112.65 3i4c n GLY 341 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i4c n GLY 341 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i4c s ARG 342 N -0.57 4.28 -0.09 1.61 6.06 0.14 -4.73 118.95 125.66 3i4c s ARG 342 Ca 0.00 1.85 -0.26 0.00 -2.50 0.00 0.00 55.73 54.82 3i4c s ARG 342 Cb 0.00 -3.65 -0.03 0.00 0.06 0.00 0.00 34.95 31.33 3i4c s ARG 342 CO 0.00 -0.60 0.83 -0.65 -2.50 0.00 0.00 175.30 172.38 3i4c s GLN 343 N 2.75 4.42 -0.13 5.12 -0.21 -1.26 -1.07 119.66 129.28 3i4c s GLN 343 Ca 0.61 1.09 0.02 0.00 0.02 0.00 0.00 55.36 57.09 3i4c s GLN 343 Cb -0.28 -3.50 0.01 0.00 1.00 0.00 0.00 33.01 30.25 3i4c s GLN 343 CO 0.23 -0.12 -0.19 0.08 -2.12 0.00 0.00 175.29 173.17 3i4c s VAL 344 N 1.38 1.79 0.05 1.09 1.01 -0.43 -1.06 120.40 124.23 3i4c s VAL 344 Ca 0.42 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 3i4c s VAL 344 Cb -0.18 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 3i4c s VAL 344 CO 0.18 0.50 0.63 -0.76 0.00 0.00 0.00 175.10 175.65 3i4c s LEU 345 N 0.93 4.49 -0.32 3.92 1.43 -0.03 -0.41 118.68 128.68 3i4c s LEU 345 Ca -0.06 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.36 3i4c s LEU 345 Cb -0.15 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 43.16 3i4c s LEU 345 CO -0.02 0.17 0.01 -0.63 0.23 0.00 0.00 176.35 176.11 3i4c s ILE 346 N -0.64 2.40 -1.12 -0.59 1.01 0.55 -0.60 121.20 122.22 3i4c s ILE 346 Ca 0.32 -2.04 0.00 0.00 0.00 0.00 0.00 60.65 58.93 3i4c s ILE 346 Cb -0.20 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3i4c s ILE 346 CO 0.20 -0.40 0.28 -2.65 0.00 0.00 0.00 174.94 172.36