#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 3.62 -0.30 3.17 0.52 -1.26 -1.59 118.95 123.10 3i4c s ARG 2 Ca 0.00 0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 55.41 3i4c s ARG 2 Cb 0.00 -2.34 0.17 0.00 0.52 0.00 0.00 34.95 33.30 3i4c s ARG 2 CO 0.00 -0.20 1.04 0.00 0.02 0.00 0.00 175.30 176.16 3i4c s ALA 3 N -2.69 -2.99 -0.34 2.13 0.00 -0.69 -3.16 121.76 114.02 3i4c s ALA 3 Ca 0.49 1.83 -0.25 0.00 0.00 0.00 0.00 51.96 54.03 3i4c s ALA 3 Cb -0.10 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.81 3i4c s ALA 3 CO 0.42 -1.11 0.89 0.08 0.00 0.00 0.00 175.76 176.04 3i4c s VAL 4 N 2.54 4.65 0.28 0.00 1.01 -0.51 -1.03 120.40 127.34 3i4c s VAL 4 Ca -0.01 1.26 0.11 0.00 0.00 0.00 0.00 61.98 63.34 3i4c s VAL 4 Cb -0.07 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 3i4c s VAL 4 CO -0.16 -0.42 -0.18 -0.13 0.00 0.00 0.00 175.10 174.21 3i4c s ARG 5 N 3.30 1.65 -0.16 2.72 0.52 -1.26 -3.60 118.95 122.12 3i4c s ARG 5 Ca 0.37 -1.77 -0.00 0.00 -0.52 0.00 0.00 55.73 53.81 3i4c s ARG 5 Cb -0.13 -1.67 0.13 0.00 0.52 0.00 0.00 34.95 33.80 3i4c s ARG 5 CO 0.16 0.28 1.84 -0.11 0.02 0.00 0.00 175.30 177.49 3i4c n LEU 6 N -0.61 5.50 0.00 2.53 7.94 0.53 -4.91 117.00 127.98 3i4c n LEU 6 Ca -0.05 -2.70 0.00 0.00 -1.11 0.00 0.00 56.01 52.15 3i4c n LEU 6 Cb 0.61 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.58 3i4c n LEU 6 CO 0.38 1.02 0.00 0.00 -1.11 0.00 0.00 177.39 177.68 3i4c n GLN 16 N 0.71 0.00 -3.76 1.96 6.02 -0.19 -3.22 117.38 118.90 3i4c n GLN 16 Ca 0.16 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.87 3i4c n GLN 16 Cb 0.60 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.74 3i4c n GLN 16 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3i4c s GLU 17 N -1.86 1.94 0.53 -1.09 2.56 -1.26 -1.70 118.70 117.81 3i4c s GLU 17 Ca 0.00 -2.88 0.05 0.00 0.00 0.00 0.00 54.97 52.15 3i4c s GLU 17 Cb 0.00 -2.81 0.05 0.00 2.00 0.00 0.00 34.13 33.37 3i4c s GLU 17 CO 0.00 -1.29 0.73 0.96 -0.56 0.00 0.00 175.26 175.09 3i4c s ILE 18 N -0.85 2.62 0.62 -3.70 -4.36 -0.62 -4.78 121.20 110.13 3i4c s ILE 18 Ca 0.26 -0.86 -0.10 0.00 -0.26 0.00 0.00 60.65 59.69 3i4c s ILE 18 Cb -0.05 -2.76 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 3i4c s ILE 18 CO -0.15 0.00 1.01 -0.83 0.24 0.00 0.00 174.94 175.21 3i4c s GLY 19 N -4.49 1.63 -0.42 6.27 0.00 -1.26 0.58 107.32 109.63 3i4c s GLY 19 Ca 0.58 -0.25 -0.22 0.00 0.00 0.00 0.00 44.72 44.83 3i4c s GLY 19 CO 0.37 0.03 0.74 0.14 0.00 0.00 0.00 173.10 174.38 3i4c s VAL 20 N -3.16 4.73 0.66 1.40 1.01 -1.26 -4.70 120.40 119.08 3i4c s VAL 20 Ca 0.55 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.83 3i4c s VAL 20 Cb -0.11 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 3i4c s VAL 20 CO 0.52 -0.59 0.96 -2.65 0.00 0.00 0.00 175.10 173.33 3i4c n PRO 21 N 6.50 0.71 -3.79 2.72 -0.02 -1.26 -4.99 135.00 134.87 3i4c n PRO 21 Ca 0.01 0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 3i4c n PRO 21 Cb 0.48 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 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 -3.03 3.71 0.05 -0.52 2.47 -1.26 -5.00 119.74 116.16 3i4c s LYS 22 Ca 0.75 -0.45 -0.31 0.00 -1.56 0.00 0.00 55.97 54.41 3i4c s LYS 22 Cb -0.38 -3.33 -0.07 0.00 -1.46 0.00 0.00 37.83 32.59 3i4c s LYS 22 CO 0.48 -0.13 1.54 -1.25 0.16 0.00 0.00 175.35 176.15 3i4c s PRO 23 N 1.46 4.24 0.01 4.03 0.04 -1.26 -5.02 135.00 138.49 3i4c s PRO 23 Ca 0.06 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.33 3i4c s PRO 23 Cb -0.15 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 3i4c s PRO 23 CO 0.04 -0.65 -0.15 -1.59 0.04 0.00 0.00 177.00 174.69 3i4c s LYS 24 N 2.36 1.13 7.73 4.56 0.00 -1.26 -4.27 119.74 129.98 3i4c s LYS 24 Ca 0.69 -0.62 0.00 0.00 0.00 0.00 0.00 55.97 56.05 3i4c s LYS 24 Cb -0.37 -1.11 0.00 0.00 0.00 0.00 0.00 37.83 36.35 3i4c s LYS 24 CO 0.30 0.30 0.00 0.41 0.00 0.00 0.00 175.35 176.36 3i4c n GLY 25 N 2.43 2.91 0.25 0.59 0.00 -1.26 -2.63 105.19 107.48 3i4c n GLY 25 Ca -0.15 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 12.95 1.08 -1.13 1.61 -0.04 -1.26 -1.50 135.00 146.71 3i4c n PRO 26 Ca 0.00 -0.50 -0.31 0.00 -0.04 0.00 0.00 63.50 62.65 3i4c n PRO 26 Cb 0.00 -1.49 0.11 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.26 1.92 -0.01 0.54 -0.21 -1.08 -1.50 119.66 117.06 3i4c s GLN 27 Ca 0.33 1.32 0.00 0.00 0.02 0.00 0.00 55.36 57.03 3i4c s GLN 27 Cb 0.20 -1.85 0.01 0.00 1.00 0.00 0.00 33.01 32.38 3i4c s GLN 27 CO 0.43 -1.92 0.00 0.08 -2.12 0.00 0.00 175.29 171.76 3i4c s VAL 28 N -2.76 0.08 -0.26 1.09 1.01 -0.76 -0.96 120.40 117.85 3i4c s VAL 28 Ca 0.64 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 3i4c s VAL 28 Cb -0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3i4c s VAL 28 CO 0.55 0.07 0.17 -0.22 0.00 0.00 0.00 175.10 175.67 3i4c s LEU 29 N 0.48 3.99 -0.09 3.92 2.96 0.10 -0.49 118.68 129.54 3i4c s LEU 29 Ca -0.04 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3i4c s LEU 29 Cb -0.07 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3i4c s LEU 29 CO -0.01 -0.01 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.35 3i4c s ILE 30 N 1.48 4.01 -0.62 6.68 1.01 0.76 -0.17 121.20 134.35 3i4c s ILE 30 Ca 0.07 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.16 3i4c s ILE 30 Cb -0.15 -2.68 0.09 0.00 0.01 0.00 0.00 42.46 39.73 3i4c s ILE 30 CO 0.08 0.58 0.82 -0.75 0.00 0.00 0.00 174.94 175.67 3i4c s LYS 31 N -0.62 3.07 -0.01 2.79 2.20 0.12 -1.07 119.74 126.23 3i4c s LYS 31 Ca 0.10 -1.11 -0.34 0.00 -0.36 0.00 0.00 55.97 54.26 3i4c s LYS 31 Cb -0.12 -4.25 -0.12 0.00 -1.51 0.00 0.00 37.83 31.83 3i4c s LYS 31 CO 0.02 -1.67 1.80 0.28 -0.36 0.00 0.00 175.35 175.42 3i4c n VAL 32 N 5.71 0.43 0.29 4.02 0.31 -0.72 -2.03 118.33 126.34 3i4c n VAL 32 Ca -0.07 -0.08 0.04 0.00 -0.01 0.00 0.00 64.34 64.22 3i4c n VAL 32 Cb 0.44 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 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 5.78 3.18 -3.65 5.55 1.02 -0.69 -4.47 120.64 127.36 3i4c n GLU 33 Ca 0.21 -0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.27 3i4c n GLU 33 Cb 0.30 -0.98 -0.06 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.00 -1.85 -0.33 0.62 0.00 -0.89 -4.67 121.76 112.64 3i4c s ALA 34 Ca 0.01 2.30 0.00 0.00 0.00 0.00 0.00 51.96 54.28 3i4c s ALA 34 Cb 0.06 -1.51 0.10 0.00 0.00 0.00 0.00 23.12 21.77 3i4c s ALA 34 CO 0.35 -0.58 0.10 0.00 0.00 0.00 0.00 175.76 175.63 3i4c s ALA 35 N 2.10 1.86 0.72 0.00 0.00 -0.00 -2.63 121.76 123.79 3i4c s ALA 35 Ca -0.08 -1.92 -0.14 0.00 0.00 0.00 0.00 51.96 49.81 3i4c s ALA 35 Cb -0.08 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.36 3i4c s ALA 35 CO -0.19 -1.70 1.14 0.20 0.00 0.00 0.00 175.76 175.21 3i4c s GLY 36 N 1.37 2.12 -0.03 0.00 0.00 -0.59 -0.59 107.32 109.60 3i4c s GLY 36 Ca 0.11 0.63 0.03 0.00 0.00 0.00 0.00 44.72 45.48 3i4c s GLY 36 CO -0.20 1.00 -0.10 0.14 0.00 0.00 0.00 173.10 173.94 3i4c s VAL 37 N -2.31 0.87 0.22 1.40 1.01 0.01 -4.37 120.40 117.23 3i4c s VAL 37 Ca 0.69 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 3i4c s VAL 37 Cb -0.23 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3i4c s VAL 37 CO 0.46 0.27 0.18 0.00 0.00 0.00 0.00 175.10 176.01 3i4c h HIS 39 N 2.52 0.00 0.00 0.00 2.76 -1.98 0.63 115.15 119.08 3i4c h HIS 39 Ca -0.34 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.82 3i4c h HIS 39 Cb 1.25 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.21 3i4c h HIS 39 CO 0.55 0.00 -0.06 0.77 -1.30 0.00 0.00 177.93 177.89 3i4c h SER 40 N 0.00 0.00 0.79 3.26 0.02 -2.01 0.16 113.55 115.77 3i4c h SER 40 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3i4c h SER 40 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3i4c h SER 40 CO -0.00 0.06 0.00 0.47 -1.14 0.00 0.00 176.83 176.22 3i4c n ASP 41 N -4.34 0.62 0.00 3.07 8.00 0.21 -2.24 116.55 121.88 3i4c n ASP 41 Ca -0.03 0.64 -0.18 0.00 0.71 0.00 0.00 54.79 55.94 3i4c n ASP 41 Cb 0.14 -0.78 -0.10 0.00 -0.02 0.00 0.00 41.12 40.36 3i4c n ASP 41 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3i4c h VAL 42 N 0.00 1.37 0.00 2.53 2.07 -0.80 -2.82 116.25 118.59 3i4c h VAL 42 Ca 0.00 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.43 3i4c h VAL 42 Cb 0.39 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3i4c h VAL 42 CO 0.00 0.61 -0.21 0.45 0.02 0.00 0.00 177.57 178.45 3i4c h HIS 43 N 0.11 0.00 0.27 1.57 3.86 -1.40 -3.02 115.15 116.55 3i4c h HIS 43 Ca -0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3i4c h HIS 43 Cb 1.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.83 3i4c h HIS 43 CO 0.12 0.21 -0.13 0.52 0.86 0.00 0.00 177.93 179.51 3i4c h MET 44 N 0.00 -0.35 -5.85 2.45 2.07 -1.44 -3.52 114.93 108.28 3i4c h MET 44 Ca -0.00 0.02 -0.39 0.00 -2.07 0.00 0.00 59.70 57.26 3i4c h MET 44 Cb 0.38 0.08 -0.06 0.00 -1.87 0.00 0.00 31.60 30.13 3i4c h MET 44 CO 0.03 -0.02 0.98 0.50 1.07 0.00 0.00 176.91 179.47 3i4c s ARG 45 N -4.47 2.84 0.00 1.72 3.52 -1.07 -5.13 118.95 116.36 3i4c s ARG 45 Ca -0.14 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3i4c s ARG 45 Cb 0.02 -5.05 0.00 0.00 -1.56 0.00 0.00 34.95 28.35 3i4c s ARG 45 CO 0.54 -3.00 0.00 1.28 -0.81 0.00 0.00 175.30 173.31 3i4c n LEU 62 N 12.48 0.00 -4.78 -0.88 4.32 -1.26 -5.04 117.00 121.84 3i4c n LEU 62 Ca 0.36 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 56.01 3i4c n LEU 62 Cb 0.48 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.29 3i4c n LEU 62 CO 0.63 0.00 0.74 -2.16 -1.22 0.00 0.00 177.39 175.38 3i4c s PRO 63 N 0.00 3.27 -0.10 3.23 0.04 -1.26 -5.19 135.00 134.99 3i4c s PRO 63 Ca 0.00 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 3i4c s PRO 63 Cb 0.00 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.58 3i4c s PRO 63 CO 0.00 -0.88 0.22 0.54 0.04 0.00 0.00 177.00 176.92 3i4c s VAL 64 N -2.14 -0.12 -0.10 -0.36 0.11 -1.20 -4.97 120.40 111.63 3i4c s VAL 64 Ca 0.68 0.19 -0.30 0.00 -2.93 0.00 0.00 61.98 59.62 3i4c s VAL 64 Cb -0.20 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 3i4c s VAL 64 CO 0.32 0.08 1.03 -0.89 -3.33 0.00 0.00 175.10 172.31 3i4c s THR 65 N 1.50 4.73 0.99 5.04 2.01 -1.26 -0.35 115.64 128.30 3i4c s THR 65 Ca -0.07 2.00 -0.17 0.00 0.31 0.00 0.00 61.69 63.76 3i4c s THR 65 Cb -0.11 -4.28 0.23 0.00 0.01 0.00 0.00 72.50 68.34 3i4c s THR 65 CO -0.08 0.01 1.35 0.18 -0.69 0.00 0.00 174.62 175.39 3i4c n LEU 66 N 4.98 0.00 0.00 4.42 4.32 -1.24 0.13 117.00 129.61 3i4c n LEU 66 Ca 0.09 -1.48 0.00 0.00 -0.02 0.00 0.00 56.01 54.60 3i4c n LEU 66 Cb 0.49 -1.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 3i4c n LEU 66 CO 0.52 -1.46 0.00 0.61 -1.22 0.00 0.00 177.39 175.84 3i4c n GLY 67 N -3.80 0.61 1.00 -0.72 0.00 -1.25 -0.44 105.19 100.58 3i4c n GLY 67 Ca 0.17 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 0.42 -3.75 1.61 1.44 -1.25 -0.63 115.22 113.07 3i4c n HIS 68 Ca 0.00 -0.25 -0.35 0.00 -2.01 0.00 0.00 57.72 55.11 3i4c n HIS 68 Cb 0.00 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 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 -1.36 2.60 -0.11 -1.40 2.02 -1.26 -4.57 118.70 114.61 3i4c s GLU 69 Ca 0.33 -2.74 -0.04 0.00 0.02 0.00 0.00 54.97 52.54 3i4c s GLU 69 Cb 0.20 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 3i4c s GLU 69 CO 0.27 -1.19 0.05 0.42 0.02 0.00 0.00 175.26 174.84 3i4c s ILE 70 N -0.43 4.74 -0.24 -1.63 1.01 -1.26 -1.55 121.20 121.85 3i4c s ILE 70 Ca 0.19 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 3i4c s ILE 70 Cb -0.18 -3.05 0.06 0.00 0.01 0.00 0.00 42.46 39.31 3i4c s ILE 70 CO -0.05 0.58 0.63 0.00 0.00 0.00 0.00 174.94 176.10 3i4c s ALA 71 N -0.67 -1.56 0.00 9.38 0.00 -1.08 -1.66 121.76 126.17 3i4c s ALA 71 Ca 0.11 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3i4c s ALA 71 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3i4c s ALA 71 CO 0.02 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3i4c n GLY 72 N 2.73 -1.37 3.88 0.00 0.00 -0.12 -1.70 105.19 108.62 3i4c n GLY 72 Ca -0.14 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.94 3.52 -0.14 1.61 1.02 -0.86 -0.57 119.74 123.38 3i4c s LYS 73 Ca 0.00 -0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 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 0.72 1.52 0.42 -0.92 0.00 0.00 175.35 177.09 3i4c s ILE 74 N -1.16 3.83 -0.13 2.17 1.01 0.45 0.16 121.20 127.53 3i4c s ILE 74 Ca 0.21 0.98 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 3i4c s ILE 74 Cb -0.13 -3.70 -0.26 0.00 0.01 0.00 0.00 42.46 38.38 3i4c s ILE 74 CO 0.11 -0.16 0.64 -0.08 0.00 0.00 0.00 174.94 175.45 3i4c h GLU 75 N 9.47 0.11 -2.29 2.79 4.57 -0.88 0.20 114.58 128.56 3i4c h GLU 75 Ca -0.34 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 57.57 3i4c h GLU 75 Cb 1.15 0.07 -0.20 0.00 -0.16 0.00 0.00 28.75 29.61 3i4c h GLU 75 CO 0.97 1.09 0.05 -2.00 -1.18 0.00 0.00 179.01 177.95 3i4c s GLU 76 N -2.35 0.92 0.14 1.92 2.12 -1.04 -4.81 118.70 115.60 3i4c s GLU 76 Ca -0.20 0.23 0.10 0.00 0.36 0.00 0.00 54.97 55.46 3i4c s GLU 76 Cb 0.01 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 3i4c s GLU 76 CO 0.72 -0.26 -0.23 0.14 -0.54 0.00 0.00 175.26 175.08 3i4c s VAL 77 N -1.02 2.47 0.77 3.70 -7.23 -1.26 0.02 120.40 117.85 3i4c s VAL 77 Ca -0.10 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 3i4c s VAL 77 Cb -0.02 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.86 3i4c s VAL 77 CO 0.07 0.06 1.09 -0.83 -0.31 0.00 0.00 175.10 175.18 3i4c s GLY 78 N -2.19 1.67 0.40 2.32 0.00 -0.13 -4.91 107.32 104.48 3i4c s GLY 78 Ca 0.16 0.23 0.13 0.00 0.00 0.00 0.00 44.72 45.25 3i4c s GLY 78 CO 0.08 0.59 1.89 1.29 0.00 0.00 0.00 173.10 176.95 3i4c h ASP 79 N -1.13 0.50 1.59 1.64 2.03 -1.81 -1.78 116.42 117.47 3i4c h ASP 79 Ca -0.44 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3i4c h ASP 79 Cb 1.23 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 3i4c h ASP 79 CO 0.52 0.25 -0.12 -0.33 -1.03 0.00 0.00 179.24 178.53 3i4c h GLU 80 N 0.52 0.00 -6.60 4.15 5.08 -1.62 -3.47 114.58 112.65 3i4c h GLU 80 Ca 0.41 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.18 3i4c h GLU 80 Cb 0.82 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.16 3i4c h GLU 80 CO -0.16 0.00 0.52 0.28 -1.00 0.00 0.00 179.01 178.65 3i4c n VAL 81 N -2.60 1.29 -4.41 3.13 0.31 -0.67 -4.83 118.33 110.55 3i4c n VAL 81 Ca 0.04 -0.32 -0.19 0.00 -0.01 0.00 0.00 64.34 63.86 3i4c n VAL 81 Cb 0.48 -1.41 -0.14 0.00 -0.91 0.00 0.00 33.84 31.86 3i4c n VAL 81 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i4c s VAL 82 N -0.41 0.83 0.00 2.52 1.01 -1.26 -4.82 120.40 118.28 3i4c s VAL 82 Ca 0.65 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3i4c s VAL 82 Cb -0.65 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3i4c s VAL 82 CO 0.54 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.43 3i4c n GLY 83 N 2.67 1.35 3.11 4.51 0.00 -1.26 -5.02 105.19 110.55 3i4c n GLY 83 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.21 1.01 0.15 1.61 1.51 -1.26 -5.12 117.35 112.05 3i4c s TYR 84 Ca 0.00 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 3i4c s TYR 84 Cb 0.00 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 3i4c s TYR 84 CO 0.00 0.01 -0.11 -1.12 -1.11 0.00 0.00 175.55 173.22 3i4c s SER 85 N -1.16 1.90 0.43 2.29 0.01 -1.26 -5.00 113.70 110.91 3i4c s SER 85 Ca -0.01 -1.00 -0.25 0.00 1.31 0.00 0.00 55.95 56.00 3i4c s SER 85 Cb -0.08 -0.03 -0.09 0.00 0.21 0.00 0.00 66.02 66.03 3i4c s SER 85 CO 0.01 -0.30 1.30 1.17 0.41 0.00 0.00 173.24 175.83 3i4c n LYS 86 N -0.16 1.97 0.00 12.44 3.00 -1.26 -1.86 118.16 132.29 3i4c n LYS 86 Ca -0.10 0.70 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 3i4c n LYS 86 Cb 0.60 -2.43 0.00 0.00 0.00 0.00 0.00 35.03 33.21 3i4c n LYS 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i4c n GLY 87 N 0.78 3.03 3.77 3.14 0.00 0.71 -4.93 105.19 111.69 3i4c n GLY 87 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.18 6.58 -0.19 1.61 1.01 -0.78 -4.58 116.67 119.15 3i4c s ASP 88 Ca 0.00 2.83 -0.16 0.00 0.71 0.00 0.00 52.55 55.93 3i4c s ASP 88 Cb 0.00 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3i4c s ASP 88 CO 0.00 -0.68 0.38 -0.22 0.21 0.00 0.00 175.17 174.86 3i4c s LEU 89 N -1.94 4.18 0.09 1.23 2.96 -1.26 -0.41 118.68 123.52 3i4c s LEU 89 Ca 0.51 0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 54.92 3i4c s LEU 89 Cb -0.42 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 3i4c s LEU 89 CO 0.57 -0.04 0.06 0.68 -1.32 0.00 0.00 176.35 176.30 3i4c s VAL 90 N 1.11 0.16 0.26 1.68 -7.23 0.26 -0.25 120.40 116.39 3i4c s VAL 90 Ca 0.19 -1.70 0.11 0.00 -1.81 0.00 0.00 61.98 58.77 3i4c s VAL 90 Cb -0.14 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 3i4c s VAL 90 CO 0.07 -0.72 -0.11 0.00 -0.31 0.00 0.00 175.10 174.03 3i4c s ALA 91 N -3.95 2.92 0.00 1.32 0.00 -0.63 -0.94 121.76 120.48 3i4c s ALA 91 Ca 0.13 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.38 3i4c s ALA 91 Cb 0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3i4c s ALA 91 CO -0.06 0.30 -0.09 0.08 0.00 0.00 0.00 175.76 175.99 3i4c s VAL 92 N -2.31 0.73 -0.44 0.00 1.01 -0.66 -1.32 120.40 117.41 3i4c s VAL 92 Ca 0.30 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 3i4c s VAL 92 Cb -0.06 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.71 3i4c s VAL 92 CO 0.17 0.15 0.80 0.21 0.00 0.00 0.00 175.10 176.43 3i4c s ASN 93 N -0.37 6.44 0.42 3.32 3.84 0.12 -4.53 114.94 124.18 3i4c s ASN 93 Ca 0.03 -0.03 0.22 0.00 0.21 0.00 0.00 52.86 53.29 3i4c s ASN 93 Cb -0.04 -2.40 0.78 0.00 -0.55 0.00 0.00 41.25 39.04 3i4c s ASN 93 CO -0.00 -0.92 1.77 1.55 -2.79 0.00 0.00 177.10 176.71 3i4c h PRO 94 N 8.94 0.00 -5.36 0.43 0.13 -1.84 -3.44 132.00 130.87 3i4c h PRO 94 Ca -0.25 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.23 3i4c h PRO 94 Cb 1.08 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 3i4c h PRO 94 CO 0.96 0.26 0.10 -1.17 -0.23 0.00 0.00 178.00 177.93 3i4c s LEU 95 N -6.76 4.53 -0.17 1.56 2.96 -1.26 -1.47 118.68 118.07 3i4c s LEU 95 Ca 0.01 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3i4c s LEU 95 Cb 0.10 -2.70 0.04 0.00 0.50 0.00 0.00 46.19 44.13 3i4c s LEU 95 CO 0.65 -0.76 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.73 3i4c s GLN 96 N 2.76 1.89 0.57 1.98 -0.21 -0.14 -4.79 119.66 121.72 3i4c s GLN 96 Ca 0.22 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.78 3i4c s GLN 96 Cb -0.14 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 3i4c s GLN 96 CO 0.18 -0.37 1.07 0.20 -2.12 0.00 0.00 175.29 174.26 3i4c s GLY 97 N 1.50 2.31 0.34 3.09 0.00 -1.26 -0.31 107.32 112.99 3i4c s GLY 97 Ca 0.01 0.54 0.27 0.00 0.00 0.00 0.00 44.72 45.54 3i4c s GLY 97 CO -0.09 0.88 1.78 1.05 0.00 0.00 0.00 173.10 176.72 3i4c h GLU 98 N 0.75 0.00 0.00 2.90 -0.00 -1.92 -3.46 114.58 112.86 3i4c h GLU 98 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 3i4c h GLU 98 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 3i4c h GLU 98 CO 0.57 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.99 3i4c n GLY 99 N 0.49 2.85 0.07 1.06 0.00 -1.26 -4.90 105.19 103.50 3i4c n GLY 99 Ca 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -3.91 1.61 -1.24 -1.95 -3.36 115.58 106.72 3i4c h ASN 100 Ca 0.00 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 56.53 3i4c h ASN 100 Cb 0.00 0.00 0.17 0.00 0.73 0.00 0.00 38.32 39.22 3i4c h ASN 100 CO 0.00 0.99 0.19 0.00 -1.29 0.00 0.00 177.43 177.32 3i4c h TYR 102 N -1.87 -0.20 -0.45 0.00 3.20 -1.97 -1.35 116.97 114.32 3i4c h TYR 102 Ca -0.51 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.36 3i4c h TYR 102 Cb 1.29 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 3i4c h TYR 102 CO 0.40 -0.17 0.15 1.88 -1.64 0.00 0.00 178.16 178.78 3i4c h TYR 103 N 0.00 0.66 -0.25 -3.82 0.05 -1.86 -0.73 116.97 111.03 3i4c h TYR 103 Ca 0.19 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.84 3i4c h TYR 103 Cb 0.29 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3i4c h TYR 103 CO -0.35 0.54 -0.22 0.00 -1.05 0.00 0.00 178.16 177.07 3i4c h ARG 105 N 0.30 0.97 -0.10 0.00 3.08 -0.62 -2.10 114.38 115.91 3i4c h ARG 105 Ca 0.04 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3i4c h ARG 105 Cb 0.78 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3i4c h ARG 105 CO 0.06 0.75 0.00 0.44 -1.07 0.00 0.00 179.97 180.14 3i4c n ILE 106 N -4.34 0.13 -0.63 2.04 -5.35 -0.34 -4.91 119.36 105.97 3i4c n ILE 106 Ca 0.06 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3i4c n ILE 106 Cb 0.13 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 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 1.00 0.64 2.79 3.28 0.00 -0.79 -4.99 105.19 107.12 3i4c n GLY 107 Ca 0.15 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.55 3.35 0.34 1.61 -0.58 0.17 -4.89 120.64 118.09 3i4c n GLU 108 Ca 0.00 -4.74 0.23 0.00 -0.42 0.00 0.00 57.16 52.22 3i4c n GLU 108 Cb 0.01 -2.25 1.21 0.00 -0.57 0.00 0.00 31.44 29.84 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 2.89 0.00 0.00 3.49 4.11 -1.82 -0.72 114.58 122.53 3i4c h GLU 109 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3i4c h GLU 109 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3i4c h GLU 109 CO 0.84 0.00 0.00 1.12 0.07 0.00 0.00 179.01 181.04 3i4c h HIS 110 N 0.00 0.00 -0.49 2.06 2.07 -1.87 -1.20 115.15 115.73 3i4c h HIS 110 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 3i4c h HIS 110 Cb 0.01 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 3i4c h HIS 110 CO 0.00 0.00 0.05 1.28 -3.07 0.00 0.00 177.93 176.19 3i4c n LEU 111 N -2.76 5.10 -4.66 6.12 4.77 -0.28 -4.95 117.00 120.34 3i4c n LEU 111 Ca 0.00 -3.07 -0.40 0.00 -0.03 0.00 0.00 56.01 52.50 3i4c n LEU 111 Cb 0.21 -0.65 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 3i4c n LEU 111 CO 0.22 0.72 0.74 0.00 -1.33 0.00 0.00 177.39 177.74 3i4c h ASP 113 N 1.63 0.00 -1.84 0.00 3.32 -1.95 -3.35 116.42 114.24 3i4c h ASP 113 Ca -0.47 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.05 3i4c h ASP 113 Cb 1.32 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.50 3i4c h ASP 113 CO 0.57 0.37 -1.06 -1.20 -1.72 0.00 0.00 179.24 176.20 3i4c n SER 114 N -3.76 -0.05 -4.80 6.45 7.64 -1.26 -5.14 113.62 112.70 3i4c n SER 114 Ca -0.01 -2.76 -0.31 0.00 1.01 0.00 0.00 58.87 56.80 3i4c n SER 114 Cb 0.45 -0.44 0.05 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.09 2.81 -0.41 1.43 0.04 -1.26 -4.14 135.00 132.38 3i4c s PRO 115 Ca 0.35 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 3i4c s PRO 115 Cb 0.18 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.82 3i4c s PRO 115 CO -0.12 -1.20 0.25 0.50 0.04 0.00 0.00 177.00 176.47 3i4c s ARG 116 N -4.81 2.64 -0.37 4.56 3.52 0.57 -4.97 118.95 120.08 3i4c s ARG 116 Ca 0.60 -1.40 -0.03 0.00 -0.13 0.00 0.00 55.73 54.77 3i4c s ARG 116 Cb -0.15 -3.77 0.08 0.00 -1.56 0.00 0.00 34.95 29.55 3i4c s ARG 116 CO 0.52 -0.92 0.14 -0.46 -0.81 0.00 0.00 175.30 173.77 3i4c s TRP 117 N 1.44 3.46 0.11 5.12 -0.11 -1.26 -0.97 118.94 126.74 3i4c s TRP 117 Ca 0.03 -2.14 -0.32 0.00 1.22 0.00 0.00 56.10 54.88 3i4c s TRP 117 Cb -0.22 -2.81 -0.12 0.00 -1.50 0.00 0.00 33.47 28.82 3i4c s TRP 117 CO 0.03 -0.90 1.79 1.28 -4.62 0.00 0.00 176.95 174.53 3i4c n LEU 118 N 4.63 3.79 0.00 5.86 4.77 -0.54 -1.08 117.00 134.43 3i4c n LEU 118 Ca -0.06 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 3i4c n LEU 118 Cb 0.42 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3i4c n LEU 118 CO 0.31 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3i4c n GLY 119 N 4.08 0.86 1.18 -0.72 0.00 0.17 -3.86 105.19 106.90 3i4c n GLY 119 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.92 -0.91 -0.61 2.08 -0.24 -3.89 119.36 114.71 3i4c n ILE 120 Ca 0.00 0.31 0.03 0.00 0.56 0.00 0.00 62.75 63.65 3i4c n ILE 120 Cb 0.00 -1.42 0.05 0.00 -0.75 0.00 0.00 39.64 37.51 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 -3.43 1.38 -3.78 4.38 0.23 -0.38 -5.01 115.26 108.65 3i4c n ASN 121 Ca 0.00 -2.18 -0.13 0.00 -0.53 0.00 0.00 54.58 51.74 3i4c n ASN 121 Cb 0.05 -0.18 -0.10 0.00 -2.08 0.00 0.00 39.78 37.48 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 -1.25 -0.20 0.17 -2.53 5.36 -1.09 -4.81 117.98 113.63 3i4c s PHE 122 Ca 0.10 0.40 -0.34 0.00 -0.96 0.00 0.00 56.93 56.14 3i4c s PHE 122 Cb 0.09 0.08 -0.14 0.00 -0.34 0.00 0.00 43.02 42.72 3i4c s PHE 122 CO 0.01 -0.30 1.53 -0.25 -1.46 0.00 0.00 175.22 174.75 3i4c n ASP 123 N 1.86 2.93 0.00 6.13 8.00 -1.26 0.43 116.55 134.64 3i4c n ASP 123 Ca -0.19 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.41 3i4c n ASP 123 Cb 0.57 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 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 3.11 2.24 0.45 0.44 0.00 0.34 -4.06 105.19 107.72 3i4c n GLY 124 Ca 0.16 -1.96 0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.84 4.61 0.00 0.20 -4.46 120.51 119.53 3i4c n ALA 125 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 3i4c n ALA 125 Cb 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 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 0.15 0.23 -3.82 0.00 4.02 0.41 -4.74 117.16 113.41 3i4c n TYR 126 Ca 0.13 -1.38 -0.08 0.00 -0.01 0.00 0.00 57.90 56.57 3i4c n TYR 126 Cb 0.26 -1.46 0.02 0.00 -0.02 0.00 0.00 39.34 38.13 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 1.53 -0.92 0.21 -0.72 0.00 -1.26 -1.43 121.76 119.17 3i4c s ALA 127 Ca 0.55 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.92 3i4c s ALA 127 Cb 0.25 0.69 0.14 0.00 0.00 0.00 0.00 23.12 24.20 3i4c s ALA 127 CO -0.01 -1.00 1.48 0.93 0.00 0.00 0.00 175.76 177.16 3i4c h GLU 128 N 2.00 0.10 -4.42 0.00 5.08 -1.84 -3.42 114.58 112.08 3i4c h GLU 128 Ca -0.31 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 57.75 3i4c h GLU 128 Cb 1.24 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.34 3i4c h GLU 128 CO 0.39 0.80 -0.71 0.71 -1.00 0.00 0.00 179.01 179.21 3i4c s TYR 129 N -3.38 0.63 -0.08 4.33 2.02 -1.26 -1.75 117.35 117.86 3i4c s TYR 129 Ca -0.02 -0.74 -0.11 0.00 -0.37 0.00 0.00 57.07 55.84 3i4c s TYR 129 Cb 0.11 -0.39 0.03 0.00 -0.40 0.00 0.00 41.96 41.30 3i4c s TYR 129 CO 0.80 -0.18 0.29 0.54 -1.57 0.00 0.00 175.55 175.43 3i4c s VAL 130 N -2.54 0.02 -0.17 0.71 0.11 -0.23 -4.90 120.40 113.40 3i4c s VAL 130 Ca -0.01 -0.14 -0.12 0.00 -2.93 0.00 0.00 61.98 58.77 3i4c s VAL 130 Cb -0.02 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 3i4c s VAL 130 CO -0.03 -0.08 0.22 -0.63 -3.33 0.00 0.00 175.10 171.25 3i4c s ILE 131 N -0.25 5.35 -0.37 7.04 -1.09 -1.26 -0.17 121.20 130.45 3i4c s ILE 131 Ca -0.04 0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 58.64 3i4c s ILE 131 Cb -0.03 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.31 3i4c s ILE 131 CO 0.01 0.43 0.24 -0.69 -1.23 0.00 0.00 174.94 173.70 3i4c s VAL 132 N 0.31 4.98 0.30 2.92 1.01 0.36 -4.95 120.40 125.32 3i4c s VAL 132 Ca 0.13 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 3i4c s VAL 132 Cb -0.12 -3.71 0.43 0.00 0.00 0.00 0.00 36.38 32.98 3i4c s VAL 132 CO 0.02 -0.19 1.57 -0.65 0.00 0.00 0.00 175.10 175.84 3i4c h PRO 133 N 8.51 0.00 -3.61 2.72 0.11 -1.91 -2.01 132.00 135.82 3i4c h PRO 133 Ca -0.28 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.59 3i4c h PRO 133 Cb 1.12 -0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.94 3i4c h PRO 133 CO 0.68 0.00 -0.69 -1.58 -0.21 0.00 0.00 178.00 176.20 3i4c s HIS 134 N -6.07 -0.03 0.63 0.65 5.65 -1.26 -3.18 115.29 111.69 3i4c s HIS 134 Ca -0.13 0.11 0.40 0.00 0.25 0.00 0.00 55.06 55.69 3i4c s HIS 134 Cb 0.29 -0.05 2.25 0.00 -1.18 0.00 0.00 32.58 33.88 3i4c s HIS 134 CO 0.78 -0.04 2.33 0.10 -0.65 0.00 0.00 174.74 177.26 3i4c h TYR 135 N 6.43 0.00 0.00 3.88 -0.00 -1.49 -2.81 116.97 122.97 3i4c h TYR 135 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.43 3i4c h TYR 135 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.92 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 -2.12 116.57 114.65 3i4c h LYS 136 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i4c h LYS 136 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 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 -2.76 0.06 -3.29 0.07 4.01 -1.06 -4.87 117.16 109.31 3i4c n TYR 137 Ca -0.01 -0.03 -0.22 0.00 -0.16 0.00 0.00 57.90 57.48 3i4c n TYR 137 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 3.20 -0.09 -0.72 -1.94 -0.80 -0.70 119.30 116.31 3i4c s MET 138 Ca 0.35 -0.63 -0.03 0.00 -1.71 0.00 0.00 55.69 53.67 3i4c s MET 138 Cb 0.17 -2.68 0.04 0.00 2.01 0.00 0.00 34.83 34.37 3i4c s MET 138 CO 0.28 -0.03 0.06 -0.47 -0.01 0.00 0.00 175.02 174.85 3i4c s TYR 139 N -2.35 0.18 -0.05 -0.03 6.14 -0.44 -4.96 117.35 115.85 3i4c s TYR 139 Ca 0.44 0.01 -0.30 0.00 0.64 0.00 0.00 57.07 57.86 3i4c s TYR 139 Cb -0.10 -0.59 -0.05 0.00 0.42 0.00 0.00 41.96 41.64 3i4c s TYR 139 CO 0.35 -0.32 1.57 0.15 0.64 0.00 0.00 175.55 177.94 3i4c s LYS 140 N 2.13 4.20 0.15 4.97 1.02 -1.26 -1.60 119.74 129.36 3i4c s LYS 140 Ca 0.04 2.11 -0.27 0.00 0.02 0.00 0.00 55.97 57.87 3i4c s LYS 140 Cb -0.13 -3.85 -0.07 0.00 -0.52 0.00 0.00 37.83 33.25 3i4c s LYS 140 CO -0.05 -0.78 0.84 -0.51 -0.92 0.00 0.00 175.35 173.93 3i4c s LEU 141 N 3.57 4.56 0.00 3.17 1.43 0.65 -4.92 118.68 127.14 3i4c s LEU 141 Ca 0.70 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 3i4c s LEU 141 Cb -0.32 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3i4c s LEU 141 CO 0.28 0.12 0.00 -1.14 0.23 0.00 0.00 176.35 175.83 3i4c n ARG 142 N 2.00 0.71 -0.09 1.70 3.00 -1.26 -4.68 116.66 118.04 3i4c n ARG 142 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.70 3i4c n ARG 142 Cb 0.49 -0.85 -0.08 0.00 0.00 0.00 0.00 32.46 32.02 3i4c n ARG 142 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3i4c n ARG 143 N -2.03 0.48 -2.95 -0.14 0.63 -1.26 -5.02 116.66 106.38 3i4c n ARG 143 Ca 0.00 0.10 -0.28 0.00 -0.92 0.00 0.00 57.85 56.75 3i4c n ARG 143 Cb 0.35 -1.36 -0.02 0.00 0.45 0.00 0.00 32.46 31.88 3i4c n ARG 143 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i4c s LEU 144 N -6.03 3.84 0.35 6.15 1.43 -1.26 -5.10 118.68 118.06 3i4c s LEU 144 Ca -0.24 0.92 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 3i4c s LEU 144 Cb 0.06 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 3i4c s LEU 144 CO 0.42 -0.40 0.44 0.54 0.23 0.00 0.00 176.35 177.59 3i4c s ASN 145 N -3.51 5.73 0.27 2.29 2.20 -1.26 -4.86 114.94 115.80 3i4c s ASN 145 Ca 0.47 -0.32 0.00 0.00 -0.94 0.00 0.00 52.86 52.08 3i4c s ASN 145 Cb -0.10 -1.05 0.62 0.00 -2.00 0.00 0.00 41.25 38.72 3i4c s ASN 145 CO 0.35 -0.48 1.69 0.00 -2.94 0.00 0.00 177.10 175.73 3i4c h ALA 146 N 0.94 1.24 -0.58 3.54 0.00 -1.92 -1.60 119.26 120.87 3i4c h ALA 146 Ca -0.44 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3i4c h ALA 146 Cb 1.26 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3i4c h ALA 146 CO 0.53 -0.34 0.06 0.28 0.00 0.00 0.00 179.25 179.78 3i4c h VAL 147 N 0.35 1.25 0.00 0.00 2.07 -1.93 -1.28 116.25 116.72 3i4c h VAL 147 Ca 0.50 -1.02 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 3i4c h VAL 147 Cb 0.92 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3i4c h VAL 147 CO -0.53 0.37 -0.68 -0.33 0.02 0.00 0.00 177.57 176.43 3i4c h GLU 148 N 0.89 0.00 0.20 1.57 5.08 -1.72 -3.34 114.58 117.25 3i4c h GLU 148 Ca 0.17 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.19 3i4c h GLU 148 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3i4c h GLU 148 CO 0.02 0.68 -1.66 0.00 -1.00 0.00 0.00 179.01 177.04 3i4c h ALA 149 N 1.32 0.09 -0.95 3.43 0.00 -1.16 -3.40 119.26 118.59 3i4c h ALA 149 Ca -0.01 -1.08 0.20 0.00 0.00 0.00 0.00 54.91 54.02 3i4c h ALA 149 Cb 1.23 0.40 -0.18 0.00 0.00 0.00 0.00 17.79 19.24 3i4c h ALA 149 CO 0.09 0.93 -0.21 0.00 0.00 0.00 0.00 179.25 180.06 3i4c h ALA 150 N 0.10 0.68 0.00 0.00 0.00 -1.36 0.19 119.26 118.87 3i4c h ALA 150 Ca -0.32 0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3i4c h ALA 150 Cb 2.08 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 20.57 3i4c h ALA 150 CO 0.19 -0.40 -0.18 -1.35 0.00 0.00 0.00 179.25 177.51 3i4c h PRO 151 N 0.00 0.00 0.00 0.00 0.11 -1.78 -2.72 132.00 127.61 3i4c h PRO 151 Ca 0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.56 3i4c h PRO 151 Cb 0.74 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3i4c h PRO 151 CO -0.97 0.18 -0.09 -0.07 -0.21 0.00 0.00 178.00 176.84 3i4c h LEU 152 N 0.00 0.00 0.00 2.35 4.07 -0.85 -1.09 115.31 119.80 3i4c h LEU 152 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3i4c h LEU 152 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3i4c h LEU 152 CO 0.02 0.09 0.00 0.35 -1.08 0.00 0.00 178.44 177.82 3i4c n THR 153 N -3.94 0.61 0.00 0.22 -2.24 -1.03 -1.70 114.28 106.21 3i4c n THR 153 Ca -0.02 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3i4c n THR 153 Cb 0.18 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 0.48 0.05 0.00 0.02 -1.43 -1.21 113.55 111.47 3i4c h SER 155 Ca 0.00 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3i4c h SER 155 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3i4c h SER 155 CO 0.00 0.57 -0.03 1.23 -1.14 0.00 0.00 176.83 177.46 3i4c h GLY 156 N 0.84 -0.07 1.00 -3.77 0.00 -1.47 -0.67 103.07 98.94 3i4c h GLY 156 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3i4c h GLY 156 CO 0.01 -0.03 0.25 -2.22 0.00 0.00 0.00 176.54 174.55 3i4c h ILE 157 N -0.41 1.10 0.05 2.60 2.04 -1.23 -0.08 117.51 121.57 3i4c h ILE 157 Ca -0.01 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3i4c h ILE 157 Cb 0.36 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3i4c h ILE 157 CO 0.01 0.09 -0.07 0.74 0.00 0.00 0.00 178.15 178.92 3i4c h THR 158 N 0.50 0.83 -0.47 -0.27 2.02 -1.20 -1.91 112.91 112.41 3i4c h THR 158 Ca 0.14 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 3i4c h THR 158 Cb -0.06 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3i4c h THR 158 CO -0.03 0.00 -0.12 0.74 0.37 0.00 0.00 175.52 176.48 3i4c h THR 159 N -0.15 1.26 -0.51 3.16 2.02 -1.01 -1.77 112.91 115.92 3i4c h THR 159 Ca 0.01 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 3i4c h THR 159 Cb 0.16 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3i4c h THR 159 CO -0.04 0.42 0.29 0.22 0.37 0.00 0.00 175.52 176.79 3i4c h TYR 160 N 0.78 0.69 -0.30 3.16 5.03 -0.86 -1.76 116.97 123.71 3i4c h TYR 160 Ca 0.12 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.32 3i4c h TYR 160 Cb 0.64 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 3i4c h TYR 160 CO 0.04 0.50 -0.24 -0.09 -1.32 0.00 0.00 178.16 177.04 3i4c h ARG 161 N 0.68 0.59 -0.86 1.82 2.43 -1.22 -2.42 114.38 115.39 3i4c h ARG 161 Ca 0.18 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3i4c h ARG 161 Cb 0.03 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3i4c h ARG 161 CO -0.03 0.78 0.44 0.00 -1.51 0.00 0.00 179.97 179.65 3i4c h ALA 162 N 1.22 1.11 -0.33 2.80 0.00 -0.87 -0.41 119.26 122.78 3i4c h ALA 162 Ca 0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3i4c h ALA 162 Cb 0.70 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i4c h ALA 162 CO 0.05 0.65 -0.32 0.28 0.00 0.00 0.00 179.25 179.92 3i4c h VAL 163 N 1.22 1.28 -0.58 0.00 2.07 -1.16 -2.68 116.25 116.40 3i4c h VAL 163 Ca 0.30 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 3i4c h VAL 163 Cb 0.08 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3i4c h VAL 163 CO -0.04 0.48 0.32 -0.09 0.02 0.00 0.00 177.57 178.26 3i4c h ARG 164 N 0.61 0.81 0.00 1.57 2.43 -0.92 -2.20 114.38 116.67 3i4c h ARG 164 Ca 0.07 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i4c h ARG 164 Cb 0.84 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3i4c h ARG 164 CO 0.07 0.61 -0.01 0.87 -1.51 0.00 0.00 179.97 180.01 3i4c h LYS 165 N 0.78 0.00 0.00 0.20 1.57 -0.85 -2.18 116.57 116.10 3i4c h LYS 165 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3i4c h LYS 165 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3i4c h LYS 165 CO -0.03 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 178.86 3i4c n ALA 166 N -2.10 1.86 -3.78 3.86 0.00 -0.83 -4.92 120.51 114.60 3i4c n ALA 166 Ca -0.01 -0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 3i4c n ALA 166 Cb 0.21 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.63 -5.06 -4.89 0.00 7.64 -0.82 -4.79 113.62 104.08 3i4c n SER 167 Ca 0.04 -1.07 -0.30 0.00 1.01 0.00 0.00 58.87 58.55 3i4c n SER 167 Cb 0.23 -2.87 -0.03 0.00 -1.01 0.00 0.00 64.21 60.53 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 -6.63 3.92 0.21 -3.43 1.43 -1.26 -5.06 118.68 107.87 3i4c s LEU 168 Ca 0.45 0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 54.36 3i4c s LEU 168 Cb -0.19 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.22 3i4c s LEU 168 CO 0.89 -0.32 0.55 1.51 0.23 0.00 0.00 176.35 179.21 3i4c s ASP 169 N -3.14 -0.24 0.59 2.29 1.47 -1.26 -4.95 116.67 111.43 3i4c s ASP 169 Ca 0.49 -0.56 0.28 0.00 1.18 0.00 0.00 52.55 53.94 3i4c s ASP 169 Cb -0.10 0.60 1.54 0.00 -0.34 0.00 0.00 42.92 44.62 3i4c s ASP 169 CO 0.30 -1.11 1.85 -0.65 0.68 0.00 0.00 175.17 176.25 3i4c h PRO 170 N 2.17 0.00 -0.00 2.11 0.11 -1.73 -0.68 132.00 133.98 3i4c h PRO 170 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3i4c h PRO 170 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i4c h PRO 170 CO 0.35 0.00 -0.24 0.25 -0.21 0.00 0.00 178.00 178.15 3i4c n THR 171 N -2.73 0.00 -3.76 -1.15 -2.24 -1.26 -4.73 114.28 98.41 3i4c n THR 171 Ca -0.02 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 3i4c n THR 171 Cb 0.32 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.76 2.65 -0.04 -0.78 1.02 -0.26 -5.03 119.74 114.55 3i4c s LYS 172 Ca 0.19 -1.37 0.04 0.00 0.02 0.00 0.00 55.97 54.85 3i4c s LYS 172 Cb 0.19 -2.43 -0.00 0.00 -0.52 0.00 0.00 37.83 35.06 3i4c s LYS 172 CO 0.57 0.02 -0.16 0.99 -0.92 0.00 0.00 175.35 175.85 3i4c s THR 173 N -2.36 1.31 0.04 2.17 2.01 -1.26 -1.58 115.64 115.98 3i4c s THR 173 Ca 0.43 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.84 3i4c s THR 173 Cb -0.05 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 3i4c s THR 173 CO 0.27 0.38 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.19 3i4c s LEU 174 N 0.01 2.67 -0.14 4.42 2.96 0.65 -1.03 118.68 128.22 3i4c s LEU 174 Ca -0.02 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3i4c s LEU 174 Cb -0.10 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3i4c s LEU 174 CO 0.01 0.25 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.88 3i4c s LEU 175 N -1.50 2.27 -0.24 -0.68 2.96 -0.25 -0.01 118.68 121.23 3i4c s LEU 175 Ca 0.15 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 3i4c s LEU 175 Cb -0.11 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3i4c s LEU 175 CO 0.06 0.09 0.03 -0.69 -1.32 0.00 0.00 176.35 174.52 3i4c s VAL 176 N 0.74 3.91 0.25 1.68 1.01 0.17 -1.10 120.40 127.07 3i4c s VAL 176 Ca -0.08 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 3i4c s VAL 176 Cb -0.16 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 3i4c s VAL 176 CO 0.00 0.35 0.91 -0.69 0.00 0.00 0.00 175.10 175.67 3i4c s VAL 177 N 1.55 4.17 -1.42 2.92 1.01 -0.80 -1.75 120.40 126.08 3i4c s VAL 177 Ca 0.06 1.94 -0.10 0.00 0.00 0.00 0.00 61.98 63.87 3i4c s VAL 177 Cb -0.15 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.06 3i4c s VAL 177 CO 0.01 0.40 1.11 0.61 0.00 0.00 0.00 175.10 177.23 3i4c n GLY 178 N 1.24 -0.52 0.12 4.51 0.00 0.22 -4.51 105.19 106.24 3i4c n GLY 178 Ca -0.02 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.88 1.02 1.20 4.61 0.00 -0.33 -1.87 120.51 120.27 3i4c n ALA 179 Ca 0.01 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.73 3i4c n ALA 179 Cb 0.55 -1.23 0.27 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.35 0.10 3.51 0.00 0.00 -1.26 -2.36 105.19 103.83 3i4c n GLY 180 Ca -0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 3i4c n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4c n GLY 181 N 1.31 -0.32 0.41 -0.02 0.00 -0.78 -4.72 105.19 101.07 3i4c n GLY 181 Ca 0.14 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 3i4c n GLY 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i4c h GLY 182 N -1.02 -0.93 1.29 -0.02 0.00 -1.92 -0.06 103.07 100.41 3i4c h GLY 182 Ca -0.34 0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 3i4c h GLY 182 CO 0.30 -0.32 0.01 1.41 0.00 0.00 0.00 176.54 177.94 3i4c h LEU 183 N -0.81 0.83 -0.18 3.11 4.07 -1.95 -2.93 115.31 117.45 3i4c h LEU 183 Ca -0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 3i4c h LEU 183 Cb 0.72 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 3i4c h LEU 183 CO -0.05 0.88 0.08 1.23 -1.08 0.00 0.00 178.44 179.50 3i4c h GLY 184 N 0.99 0.28 1.49 0.83 0.00 -1.64 -0.89 103.07 104.13 3i4c h GLY 184 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3i4c h GLY 184 CO 0.02 0.14 -0.05 -0.91 0.00 0.00 0.00 176.54 175.73 3i4c h THR 185 N 0.14 1.23 -0.51 4.70 1.35 -0.62 -0.71 112.91 118.50 3i4c h THR 185 Ca 0.06 -0.97 -0.10 0.00 -0.55 0.00 0.00 66.41 64.85 3i4c h THR 185 Cb 0.14 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 3i4c h THR 185 CO -0.01 0.33 -0.10 -0.03 -0.25 0.00 0.00 175.52 175.47 3i4c h MET 186 N 0.58 0.93 -0.52 4.72 -1.53 -1.32 0.29 114.93 118.08 3i4c h MET 186 Ca 0.11 -0.33 -0.06 0.00 -3.44 0.00 0.00 59.70 55.99 3i4c h MET 186 Cb 0.44 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.40 3i4c h MET 186 CO 0.02 0.98 0.11 0.00 0.14 0.00 0.00 176.91 178.16 3i4c h ALA 187 N 1.04 0.69 -0.39 0.39 0.00 -0.68 -0.33 119.26 119.99 3i4c h ALA 187 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i4c h ALA 187 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3i4c h ALA 187 CO 0.04 0.40 0.16 0.28 0.00 0.00 0.00 179.25 180.14 3i4c h VAL 188 N 0.74 1.19 -0.37 0.00 2.07 -0.81 -0.60 116.25 118.46 3i4c h VAL 188 Ca 0.16 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3i4c h VAL 188 Cb 0.36 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3i4c h VAL 188 CO 0.01 0.20 0.22 1.56 0.02 0.00 0.00 177.57 179.58 3i4c h GLN 189 N 0.48 0.51 -0.13 1.57 4.20 -0.71 -0.25 115.11 120.77 3i4c h GLN 189 Ca 0.13 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3i4c h GLN 189 Cb 0.17 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3i4c h GLN 189 CO -0.01 0.39 0.05 0.82 -0.67 0.00 0.00 178.83 179.41 3i4c h ILE 190 N 0.48 1.15 -0.59 2.54 2.04 -0.93 -0.53 117.51 121.67 3i4c h ILE 190 Ca 0.13 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3i4c h ILE 190 Cb 0.02 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3i4c h ILE 190 CO -0.02 0.14 0.38 0.00 0.00 0.00 0.00 178.15 178.65 3i4c h ALA 191 N 0.89 1.56 -0.02 1.87 0.00 -0.97 0.82 119.26 123.40 3i4c h ALA 191 Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3i4c h ALA 191 Cb 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3i4c h ALA 191 CO -0.00 0.40 -0.68 -0.22 0.00 0.00 0.00 179.25 178.75 3i4c h LYS 192 N 0.81 0.11 0.00 0.00 3.64 -0.76 -2.70 116.57 117.66 3i4c h LYS 192 Ca 0.22 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3i4c h LYS 192 Cb -0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3i4c h LYS 192 CO -0.04 0.75 -0.69 0.00 -2.27 0.00 0.00 179.45 177.19 3i4c h ALA 193 N 1.23 0.71 -0.00 5.00 0.00 -0.06 -3.41 119.26 122.73 3i4c h ALA 193 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i4c h ALA 193 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i4c h ALA 193 CO 0.10 0.42 -0.03 1.33 0.00 0.00 0.00 179.25 181.07 3i4c n VAL 194 N -3.01 0.00 0.00 0.00 0.24 0.18 -4.91 118.33 110.83 3i4c n VAL 194 Ca -0.01 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3i4c n VAL 194 Cb 0.67 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 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 -0.02 2.88 0.00 -1.34 3.41 -1.02 -5.02 113.62 112.51 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 0.09 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 2.21 0.80 3.84 5.00 0.00 -1.26 -3.54 105.19 112.26 3i4c n GLY 196 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.13 2.87 0.16 4.61 0.00 -1.26 -4.23 121.76 120.78 3i4c s ALA 197 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 3i4c s ALA 197 Cb 0.00 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 3i4c s ALA 197 CO 0.00 -0.99 1.04 0.99 0.00 0.00 0.00 175.76 176.80 3i4c s THR 198 N -3.12 4.11 -0.15 0.00 2.01 -0.61 -4.92 115.64 112.97 3i4c s THR 198 Ca 0.57 1.82 0.01 0.00 0.31 0.00 0.00 61.69 64.40 3i4c s THR 198 Cb -0.13 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.23 3i4c s THR 198 CO 0.54 0.31 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.97 3i4c s ILE 199 N -0.22 2.43 -0.16 1.82 1.01 -1.26 -0.25 121.20 124.57 3i4c s ILE 199 Ca 0.48 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 3i4c s ILE 199 Cb -0.27 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 3i4c s ILE 199 CO 0.33 0.53 -0.11 -0.63 0.00 0.00 0.00 174.94 175.06 3i4c s ILE 200 N 0.78 3.11 -0.08 2.92 1.01 0.99 -0.39 121.20 129.54 3i4c s ILE 200 Ca -0.07 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.98 3i4c s ILE 200 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3i4c s ILE 200 CO -0.00 0.50 -0.13 -0.83 0.00 0.00 0.00 174.94 174.47 3i4c s GLY 201 N 0.74 1.55 -0.02 6.18 0.00 0.18 -0.65 107.32 115.30 3i4c s GLY 201 Ca -0.05 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.79 3i4c s GLY 201 CO 0.02 -0.57 -0.18 0.54 0.00 0.00 0.00 173.10 172.91 3i4c s VAL 202 N -0.39 1.44 0.26 1.40 0.11 -0.72 -0.26 120.40 122.24 3i4c s VAL 202 Ca 0.04 -0.76 -0.02 0.00 -2.93 0.00 0.00 61.98 58.31 3i4c s VAL 202 Cb -0.12 -1.21 0.01 0.00 -1.53 0.00 0.00 36.38 33.53 3i4c s VAL 202 CO 0.02 0.41 0.38 -0.67 -3.33 0.00 0.00 175.10 171.91 3i4c n ASP 203 N 2.78 -1.07 -0.23 3.54 -0.08 -0.59 -0.61 116.55 120.29 3i4c n ASP 203 Ca -0.16 -2.35 0.04 0.00 -1.51 0.00 0.00 54.79 50.81 3i4c n ASP 203 Cb 0.53 1.96 0.01 0.00 2.34 0.00 0.00 41.12 45.97 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 -0.42 0.00 -4.40 5.18 0.24 -1.26 -0.37 118.33 117.31 3i4c n VAL 204 Ca -0.00 -0.46 -0.19 0.00 -2.04 0.00 0.00 64.34 61.65 3i4c n VAL 204 Cb 0.43 1.12 -0.14 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.92 0.87 0.38 7.34 0.52 -1.26 -4.33 118.95 121.55 3i4c s ARG 205 Ca 0.07 -0.55 0.18 0.00 -0.52 0.00 0.00 55.73 54.91 3i4c s ARG 205 Cb 0.06 -0.84 1.10 0.00 0.52 0.00 0.00 34.95 35.79 3i4c s ARG 205 CO 0.15 0.22 1.73 1.49 0.02 0.00 0.00 175.30 178.91 3i4c h GLU 206 N 5.43 0.37 -0.12 3.54 4.81 -1.98 0.14 114.58 126.77 3i4c h GLU 206 Ca -0.34 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 3i4c h GLU 206 Cb 1.18 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3i4c h GLU 206 CO 0.47 0.24 -0.05 0.93 -0.73 0.00 0.00 179.01 179.87 3i4c h GLU 207 N 0.38 0.24 -0.30 1.92 3.07 -1.98 -1.58 114.58 116.33 3i4c h GLU 207 Ca 0.65 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 59.37 3i4c h GLU 207 Cb 1.62 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.51 3i4c h GLU 207 CO -0.39 0.57 0.02 0.00 -1.40 0.00 0.00 179.01 177.81 3i4c h ALA 208 N 0.66 0.40 -0.90 3.43 0.00 -1.41 0.84 119.26 122.28 3i4c h ALA 208 Ca 0.03 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.82 3i4c h ALA 208 Cb 0.49 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3i4c h ALA 208 CO 0.02 0.12 0.58 0.28 0.00 0.00 0.00 179.25 180.25 3i4c h VAL 209 N 0.31 0.98 -0.38 0.00 2.07 -0.82 0.38 116.25 118.78 3i4c h VAL 209 Ca 0.09 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 3i4c h VAL 209 Cb 0.40 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3i4c h VAL 209 CO 0.01 0.17 -0.37 -0.08 0.02 0.00 0.00 177.57 177.32 3i4c h GLU 210 N 0.92 0.90 -0.61 1.57 4.57 -0.74 -2.06 114.58 119.14 3i4c h GLU 210 Ca 0.42 -0.46 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 3i4c h GLU 210 Cb 0.39 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 3i4c h GLU 210 CO -0.18 1.12 0.19 0.00 -1.18 0.00 0.00 179.01 178.96 3i4c h ALA 211 N 0.83 1.19 -0.73 2.92 0.00 0.15 -1.36 119.26 122.26 3i4c h ALA 211 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3i4c h ALA 211 Cb 0.95 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3i4c h ALA 211 CO 0.09 0.57 0.32 0.00 0.00 0.00 0.00 179.25 180.23 3i4c h ALA 212 N 1.32 0.94 -0.48 0.00 0.00 -0.11 -0.97 119.26 119.96 3i4c h ALA 212 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3i4c h ALA 212 Cb 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3i4c h ALA 212 CO -0.01 0.53 0.07 -0.22 0.00 0.00 0.00 179.25 179.62 3i4c h LYS 213 N 1.03 0.80 0.00 0.00 1.63 -0.78 -2.21 116.57 117.04 3i4c h LYS 213 Ca 0.25 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 3i4c h LYS 213 Cb 0.16 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3i4c h LYS 213 CO -0.03 0.81 -0.13 0.00 -3.45 0.00 0.00 179.45 176.65 3i4c h ARG 214 N 0.67 0.00 0.00 1.90 3.08 -0.95 -1.17 114.38 117.91 3i4c h ARG 214 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i4c h ARG 214 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3i4c h ARG 214 CO 0.01 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.04 3i4c h ALA 215 N 1.87 1.00 0.00 0.04 0.00 -0.56 -3.46 119.26 118.14 3i4c h ALA 215 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i4c h ALA 215 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i4c h ALA 215 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3i4c n GLY 216 N 0.42 1.36 3.78 0.00 0.00 -0.44 -3.98 105.19 106.33 3i4c n GLY 216 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.52 0.08 4.61 0.00 -1.05 -4.90 121.76 122.02 3i4c s ALA 217 Ca 0.00 1.57 0.09 0.00 0.00 0.00 0.00 51.96 53.62 3i4c s ALA 217 Cb 0.00 -3.61 -0.15 0.00 0.00 0.00 0.00 23.12 19.36 3i4c s ALA 217 CO 0.00 -1.10 1.32 -0.44 0.00 0.00 0.00 175.76 175.54 3i4c h ASP 218 N 2.87 0.00 -4.49 0.00 3.32 -1.09 -3.45 116.42 113.57 3i4c h ASP 218 Ca -0.51 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.35 3i4c h ASP 218 Cb 1.24 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.56 3i4c h ASP 218 CO 0.64 0.90 -0.67 -0.31 -1.72 0.00 0.00 179.24 178.08 3i4c s TYR 219 N -2.78 0.12 0.03 4.55 2.02 -0.70 -5.01 117.35 115.59 3i4c s TYR 219 Ca 0.01 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 3i4c s TYR 219 Cb 0.10 -0.09 -0.02 0.00 -0.40 0.00 0.00 41.96 41.54 3i4c s TYR 219 CO 0.81 -0.13 -0.10 0.14 -1.57 0.00 0.00 175.55 174.69 3i4c s VAL 220 N -0.87 0.80 0.01 0.71 -7.23 -1.26 -0.65 120.40 111.91 3i4c s VAL 220 Ca -0.10 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.29 3i4c s VAL 220 Cb -0.06 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 3i4c s VAL 220 CO -0.00 -0.07 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.95 3i4c s ILE 221 N -0.81 1.12 -0.43 -0.62 1.01 0.64 -4.93 121.20 117.18 3i4c s ILE 221 Ca -0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 3i4c s ILE 221 Cb -0.07 -0.96 0.11 0.00 0.01 0.00 0.00 42.46 41.56 3i4c s ILE 221 CO 0.01 0.22 0.26 0.21 0.00 0.00 0.00 174.94 175.64 3i4c s ASN 222 N -0.59 5.44 0.33 3.58 3.84 -1.26 -1.54 114.94 124.75 3i4c s ASN 222 Ca 0.04 -1.97 0.21 0.00 0.21 0.00 0.00 52.86 51.35 3i4c s ASN 222 Cb -0.06 -1.90 1.13 0.00 -0.55 0.00 0.00 41.25 39.87 3i4c s ASN 222 CO 0.00 -0.60 1.62 0.00 -2.79 0.00 0.00 177.10 175.33 3i4c n ALA 223 N 4.73 0.98 0.30 1.71 0.00 0.50 -0.60 120.51 128.13 3i4c n ALA 223 Ca -0.05 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3i4c n ALA 223 Cb 0.41 -1.24 0.12 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.75 -3.36 113.55 108.46 3i4c h SER 224 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3i4c h SER 224 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3i4c h SER 224 CO 0.00 0.03 -0.18 0.23 -1.14 0.00 0.00 176.83 175.77 3i4c n MET 225 N -2.58 5.81 -4.20 3.45 2.81 -0.39 -5.07 117.12 116.95 3i4c n MET 225 Ca 0.02 -0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.79 3i4c n MET 225 Cb 0.51 -0.63 -0.10 0.00 -0.71 0.00 0.00 33.22 32.29 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 -1.26 1.14 -0.56 0.03 -0.21 0.23 -5.04 119.66 113.99 3i4c s GLN 226 Ca 0.01 -1.58 -0.17 0.00 0.02 0.00 0.00 55.36 53.63 3i4c s GLN 226 Cb 0.01 0.20 0.11 0.00 1.00 0.00 0.00 33.01 34.34 3i4c s GLN 226 CO 0.08 -0.34 0.58 0.34 -2.12 0.00 0.00 175.29 173.83 3i4c s ASP 227 N -3.14 6.19 0.31 5.90 3.68 -1.26 -4.40 116.67 123.94 3i4c s ASP 227 Ca 0.34 -1.60 0.06 0.00 2.13 0.00 0.00 52.55 53.49 3i4c s ASP 227 Cb 0.07 -2.25 0.83 0.00 -1.45 0.00 0.00 42.92 40.12 3i4c s ASP 227 CO 0.09 -0.96 1.67 1.55 0.13 0.00 0.00 175.17 177.66 3i4c h PRO 228 N 9.01 0.32 -0.36 4.34 0.13 -1.89 0.10 132.00 143.66 3i4c h PRO 228 Ca -0.30 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3i4c h PRO 228 Cb 1.10 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3i4c h PRO 228 CO 1.06 0.21 0.11 -0.07 -0.23 0.00 0.00 178.00 179.08 3i4c h LEU 229 N 0.33 0.52 -0.31 1.56 3.38 -1.97 0.57 115.31 119.39 3i4c h LEU 229 Ca 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 3i4c h LEU 229 Cb 1.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3i4c h LEU 229 CO -0.59 0.59 0.18 0.00 0.09 0.00 0.00 178.44 178.71 3i4c h ALA 230 N 0.95 0.40 -0.41 1.53 0.00 -1.51 0.17 119.26 120.40 3i4c h ALA 230 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i4c h ALA 230 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3i4c h ALA 230 CO -0.00 -0.09 0.14 0.93 0.00 0.00 0.00 179.25 180.23 3i4c h GLU 231 N 0.39 0.62 -0.86 0.00 4.39 -0.73 -1.84 114.58 116.56 3i4c h GLU 231 Ca 0.11 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3i4c h GLU 231 Cb 0.04 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 3i4c h GLU 231 CO -0.02 0.60 0.45 0.82 -1.16 0.00 0.00 179.01 179.70 3i4c h ILE 232 N 0.51 1.25 -0.70 3.13 2.04 0.41 0.01 117.51 124.17 3i4c h ILE 232 Ca 0.13 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3i4c h ILE 232 Cb 0.23 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3i4c h ILE 232 CO -0.01 0.29 0.39 -0.09 0.00 0.00 0.00 178.15 178.73 3i4c h ARG 233 N 1.20 0.96 -0.02 2.37 2.43 -0.36 -0.72 114.38 120.24 3i4c h ARG 233 Ca 0.30 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3i4c h ARG 233 Cb 0.06 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3i4c h ARG 233 CO -0.04 0.70 -0.03 -0.09 -1.51 0.00 0.00 179.97 179.00 3i4c h ARG 234 N 0.97 0.06 -0.68 0.20 9.65 -0.62 1.10 114.38 125.06 3i4c h ARG 234 Ca 0.25 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.20 3i4c h ARG 234 Cb 0.01 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.52 3i4c h ARG 234 CO -0.04 0.55 0.27 0.82 2.80 0.00 0.00 179.97 184.38 3i4c h ILE 235 N -0.43 0.75 -0.40 1.20 2.04 -0.75 -1.20 117.51 118.72 3i4c h ILE 235 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3i4c h ILE 235 Cb 0.54 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3i4c h ILE 235 CO 0.01 0.08 0.00 0.35 0.00 0.00 0.00 178.15 178.59 3i4c n THR 236 N -4.97 1.39 -3.91 -0.27 -2.24 -0.30 -4.91 114.28 99.07 3i4c n THR 236 Ca 0.11 -0.80 -0.28 0.00 -2.27 0.00 0.00 64.05 60.81 3i4c n THR 236 Cb 0.32 -0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.55 -4.57 -0.82 -0.78 1.02 -0.46 -1.39 120.64 114.20 3i4c n GLU 237 Ca 0.17 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 3i4c n GLU 237 Cb 0.70 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.98 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 -2.90 -0.19 0.08 1.62 7.64 0.37 -4.87 113.62 115.37 3i4c n SER 238 Ca -0.12 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.65 3i4c n SER 238 Cb 0.60 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 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 1.81 0.21 0.00 1.43 3.64 -1.46 -3.50 116.57 118.70 3i4c h LYS 239 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3i4c h LYS 239 Cb 0.02 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3i4c h LYS 239 CO 0.00 1.03 0.00 0.41 -2.27 0.00 0.00 179.45 178.62 3i4c n GLY 240 N 1.08 0.19 3.90 5.01 0.00 -1.26 -3.91 105.19 110.20 3i4c n GLY 240 Ca -0.05 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.42 5.13 -0.66 1.61 -7.23 0.16 -4.42 120.40 113.57 3i4c s VAL 241 Ca 0.00 0.00 0.25 0.00 -1.81 0.00 0.00 61.98 60.43 3i4c s VAL 241 Cb 0.00 -3.66 0.30 0.00 0.56 0.00 0.00 36.38 33.58 3i4c s VAL 241 CO 0.00 -0.06 1.74 0.44 -0.31 0.00 0.00 175.10 176.91 3i4c h ASP 242 N 2.48 0.00 -5.00 4.85 3.32 -1.42 0.28 116.42 120.94 3i4c h ASP 242 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 3i4c h ASP 242 Cb 1.17 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 3i4c h ASP 242 CO 0.71 0.00 0.16 0.00 -1.72 0.00 0.00 179.24 178.38 3i4c s ALA 243 N -3.13 -1.71 -0.05 3.45 0.00 -1.16 -1.24 121.76 117.93 3i4c s ALA 243 Ca 0.10 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.33 3i4c s ALA 243 Cb 0.11 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3i4c s ALA 243 CO 0.61 -0.36 -0.08 0.08 0.00 0.00 0.00 175.76 176.01 3i4c s VAL 244 N -1.20 0.81 -0.28 0.00 1.01 -0.21 -1.09 120.40 119.44 3i4c s VAL 244 Ca -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3i4c s VAL 244 Cb -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.64 3i4c s VAL 244 CO 0.10 0.28 0.01 -0.63 0.00 0.00 0.00 175.10 174.85 3i4c s ILE 245 N 0.71 3.26 -0.66 2.22 1.01 -0.26 0.40 121.20 127.88 3i4c s ILE 245 Ca -0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.42 3i4c s ILE 245 Cb -0.14 -2.74 0.17 0.00 0.01 0.00 0.00 42.46 39.75 3i4c s ILE 245 CO 0.02 0.04 0.50 -0.62 0.00 0.00 0.00 174.94 174.88 3i4c s ASP 246 N 1.35 5.50 -0.11 3.58 -1.08 0.51 -1.91 116.67 124.52 3i4c s ASP 246 Ca -0.01 -2.83 -0.26 0.00 -0.52 0.00 0.00 52.55 48.93 3i4c s ASP 246 Cb -0.18 -1.92 -0.02 0.00 -1.46 0.00 0.00 42.92 39.34 3i4c s ASP 246 CO -0.01 -0.40 0.83 -0.76 0.52 0.00 0.00 175.17 175.35 3i4c s LEU 247 N -0.03 4.25 -1.05 -1.34 1.43 -1.26 -1.61 118.68 119.08 3i4c s LEU 247 Ca 0.17 1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 54.49 3i4c s LEU 247 Cb -0.18 -3.27 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 3i4c s LEU 247 CO -0.04 -0.30 0.92 -3.20 0.23 0.00 0.00 176.35 173.95 3i4c n ASN 248 N 4.61 -6.65 -4.58 2.29 2.85 0.14 -4.94 115.26 108.98 3i4c n ASN 248 Ca 0.03 -0.71 -0.29 0.00 -0.11 0.00 0.00 54.58 53.50 3i4c n ASN 248 Cb 0.50 -5.21 0.21 0.00 1.24 0.00 0.00 39.78 36.52 3i4c n ASN 248 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 3i4c s TYR 249 N -3.39 1.57 0.24 1.20 -0.85 -1.20 -5.05 117.35 109.88 3i4c s TYR 249 Ca 0.46 1.38 0.00 0.00 -0.52 0.00 0.00 57.07 58.39 3i4c s TYR 249 Cb -0.06 -3.18 -0.03 0.00 0.38 0.00 0.00 41.96 39.06 3i4c s TYR 249 CO 0.74 -3.34 0.21 -1.54 -1.52 0.00 0.00 175.55 170.11 3i4c s SER 250 N -2.70 0.54 0.39 -0.18 1.04 -1.26 -4.68 113.70 106.86 3i4c s SER 250 Ca 0.67 -1.45 0.06 0.00 0.48 0.00 0.00 55.95 55.71 3i4c s SER 250 Cb -0.23 0.45 0.80 0.00 0.10 0.00 0.00 66.02 67.14 3i4c s SER 250 CO 0.61 -0.94 2.04 -0.08 0.98 0.00 0.00 173.24 175.85 3i4c h GLU 251 N 2.45 0.62 0.51 4.02 4.81 -1.94 -2.10 114.58 122.95 3i4c h GLU 251 Ca -0.32 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 3i4c h GLU 251 Cb 1.24 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3i4c h GLU 251 CO 0.47 0.41 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.70 3i4c h LYS 252 N 0.64 -0.66 -0.74 1.92 3.64 -1.99 -2.85 116.57 116.54 3i4c h LYS 252 Ca 0.19 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 3i4c h LYS 252 Cb -0.03 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3i4c h LYS 252 CO -0.04 -0.35 0.44 1.79 -2.27 0.00 0.00 179.45 179.01 3i4c h THR 253 N -0.94 1.02 0.00 1.00 1.35 -1.90 -1.72 112.91 111.71 3i4c h THR 253 Ca -0.07 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.49 3i4c h THR 253 Cb 0.61 0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 3i4c h THR 253 CO 0.11 0.15 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.38 3i4c h LEU 254 N 0.81 0.00 0.00 3.87 3.38 -1.43 -1.26 115.31 120.69 3i4c h LEU 254 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3i4c h LEU 254 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i4c h LEU 254 CO -0.17 0.09 -0.98 -1.54 0.09 0.00 0.00 178.44 175.93 3i4c n SER 255 N -3.50 0.65 -0.05 -0.43 3.41 -0.71 -4.48 113.62 108.50 3i4c n SER 255 Ca -0.02 0.01 -0.06 0.00 -0.26 0.00 0.00 58.87 58.54 3i4c n SER 255 Cb 0.22 0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 64.78 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 -2.17 1.19 0.28 -3.33 0.31 -0.80 -4.77 118.33 109.04 3i4c n VAL 256 Ca 0.01 0.23 0.14 0.00 -0.01 0.00 0.00 64.34 64.72 3i4c n VAL 256 Cb 0.47 -2.07 0.85 0.00 -0.91 0.00 0.00 33.84 32.18 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 -0.67 0.00 0.00 3.52 0.05 -1.51 -2.29 116.97 116.07 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 0.67 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 3i4c h TYR 257 CO -0.29 0.05 -0.03 -1.35 -1.05 0.00 0.00 178.16 175.49 3i4c h PRO 258 N 0.00 0.00 0.00 4.88 0.11 -1.79 -0.14 132.00 135.06 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 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3i4c h PRO 258 CO 0.01 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 -2.42 116.57 115.04 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 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3i4c h LYS 259 CO 0.00 0.00 -0.24 0.00 -0.57 0.00 0.00 179.45 178.64 3i4c n ALA 260 N -1.94 2.95 -1.83 3.86 0.00 -0.06 -4.93 120.51 118.56 3i4c n ALA 260 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 3i4c n ALA 260 Cb 0.22 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.89 4.37 0.79 0.00 1.43 -0.91 -0.67 118.68 120.80 3i4c s LEU 261 Ca 0.16 2.77 -0.08 0.00 -1.03 0.00 0.00 54.13 55.94 3i4c s LEU 261 Cb 0.19 -3.63 0.12 0.00 0.03 0.00 0.00 46.19 42.90 3i4c s LEU 261 CO 0.59 -0.76 1.11 0.00 0.23 0.00 0.00 176.35 177.53 3i4c s ALA 262 N -0.17 3.00 0.39 4.21 0.00 0.98 -4.64 121.76 125.53 3i4c s ALA 262 Ca 0.59 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.05 3i4c s ALA 262 Cb -0.44 -2.50 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 3i4c s ALA 262 CO 0.47 -1.72 1.37 0.15 0.00 0.00 0.00 175.76 176.03 3i4c s LYS 263 N -5.43 4.04 0.00 0.00 1.02 -1.26 -1.28 119.74 116.83 3i4c s LYS 263 Ca 0.66 2.32 0.00 0.00 0.02 0.00 0.00 55.97 58.97 3i4c s LYS 263 Cb -0.07 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3i4c s LYS 263 CO 0.47 -0.49 0.00 1.04 -0.92 0.00 0.00 175.35 175.45 3i4c n GLN 264 N 0.30 -0.92 -2.05 1.68 6.02 0.24 -4.96 117.38 117.69 3i4c n GLN 264 Ca 0.02 0.23 -0.36 0.00 -0.01 0.00 0.00 57.00 56.88 3i4c n GLN 264 Cb 0.42 -3.96 0.02 0.00 1.02 0.00 0.00 30.24 27.74 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 2.76 -0.17 1.08 0.00 -0.40 -4.75 107.32 103.83 3i4c s GLY 265 Ca 0.00 1.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.74 3i4c s GLY 265 CO 0.00 1.45 -0.12 0.54 0.00 0.00 0.00 173.10 174.97 3i4c s LYS 266 N -3.13 3.29 -0.50 2.90 1.02 -0.37 -1.29 119.74 121.66 3i4c s LYS 266 Ca 0.73 -0.70 -0.15 0.00 0.02 0.00 0.00 55.97 55.87 3i4c s LYS 266 Cb -0.31 -2.73 0.10 0.00 -0.52 0.00 0.00 37.83 34.37 3i4c s LYS 266 CO 0.35 -0.01 0.43 -0.47 -0.92 0.00 0.00 175.35 174.73 3i4c s TYR 267 N 0.91 3.26 -0.45 3.18 6.14 0.83 -1.05 117.35 130.18 3i4c s TYR 267 Ca -0.03 -1.18 -0.22 0.00 0.64 0.00 0.00 57.07 56.28 3i4c s TYR 267 Cb -0.15 -3.46 0.03 0.00 0.42 0.00 0.00 41.96 38.79 3i4c s TYR 267 CO -0.01 -0.91 0.69 0.08 0.64 0.00 0.00 175.55 176.04 3i4c s VAL 268 N 1.59 4.76 -0.14 3.14 1.01 0.16 -1.06 120.40 129.87 3i4c s VAL 268 Ca 0.04 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 3i4c s VAL 268 Cb -0.27 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 3i4c s VAL 268 CO 0.04 -0.65 0.21 -0.04 0.00 0.00 0.00 175.10 174.66 3i4c s MET 269 N 2.99 3.90 -0.02 2.72 -1.94 0.10 -0.36 119.30 126.68 3i4c s MET 269 Ca 0.25 -0.04 0.01 0.00 -1.71 0.00 0.00 55.69 54.20 3i4c s MET 269 Cb -0.14 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.41 3i4c s MET 269 CO 0.20 0.51 -0.03 0.08 -0.01 0.00 0.00 175.02 175.77 3i4c s VAL 270 N -0.29 0.34 -4.49 -6.03 1.01 -0.63 -1.90 120.40 108.40 3i4c s VAL 270 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3i4c s VAL 270 Cb -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3i4c s VAL 270 CO 0.03 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3i4c n GLY 271 N 3.69 0.98 0.12 4.51 0.00 -1.26 0.25 105.19 113.49 3i4c n GLY 271 Ca -0.22 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 43.84 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 0.71 -4.76 0.99 4.77 -1.26 -5.00 117.00 112.44 3i4c n LEU 272 Ca 0.00 -1.01 -0.41 0.00 -0.03 0.00 0.00 56.01 54.55 3i4c n LEU 272 Cb 0.00 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3i4c n LEU 272 CO 0.00 0.25 1.12 0.33 -1.33 0.00 0.00 177.39 177.75 3i4c n PHE 273 N -0.27 2.88 -2.21 -1.77 7.35 -1.26 -4.85 117.46 117.33 3i4c n PHE 273 Ca 0.02 0.44 -0.32 0.00 -0.76 0.00 0.00 57.45 56.82 3i4c n PHE 273 Cb 0.50 -2.52 -0.04 0.00 0.35 0.00 0.00 39.48 37.77 3i4c n PHE 273 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3i4c s GLY 274 N -0.07 0.57 0.06 7.13 0.00 -1.26 -4.87 107.32 108.88 3i4c s GLY 274 Ca 0.55 -2.35 -0.03 0.00 0.00 0.00 0.00 44.72 42.89 3i4c s GLY 274 CO 0.62 3.33 0.03 0.00 0.00 0.00 0.00 173.10 177.07 3i4c s ALA 275 N 9.14 0.29 0.08 3.20 0.00 -1.26 -4.98 121.76 128.22 3i4c s ALA 275 Ca 0.64 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.66 3i4c s ALA 275 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3i4c s ALA 275 CO 0.11 -0.39 -0.08 -0.51 0.00 0.00 0.00 175.76 174.90 3i4c s ASP 276 N -2.77 4.53 -0.10 0.00 1.01 -1.26 -5.06 116.67 113.02 3i4c s ASP 276 Ca 0.04 -0.30 -0.23 0.00 0.71 0.00 0.00 52.55 52.78 3i4c s ASP 276 Cb 0.06 -0.95 -0.03 0.00 1.01 0.00 0.00 42.92 43.01 3i4c s ASP 276 CO -0.09 0.20 0.69 -0.22 0.21 0.00 0.00 175.17 175.96 3i4c s LEU 277 N -2.01 4.28 -0.19 1.23 2.96 -1.26 -4.99 118.68 118.70 3i4c s LEU 277 Ca 0.21 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 3i4c s LEU 277 Cb -0.11 -3.04 0.04 0.00 0.50 0.00 0.00 46.19 43.58 3i4c s LEU 277 CO 0.13 -0.15 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.94 3i4c s HIS 278 N 1.04 2.00 -0.15 5.38 3.76 -1.26 -5.12 115.29 120.95 3i4c s HIS 278 Ca 0.36 -1.33 -0.11 0.00 -0.15 0.00 0.00 55.06 53.83 3i4c s HIS 278 Cb -0.17 -1.45 0.04 0.00 1.11 0.00 0.00 32.58 32.12 3i4c s HIS 278 CO 0.16 -0.68 0.37 -0.47 -0.85 0.00 0.00 174.74 173.27 3i4c s TYR 279 N 1.53 -0.46 -0.05 1.40 5.04 -1.26 -4.94 117.35 118.61 3i4c s TYR 279 Ca -0.01 1.07 -0.29 0.00 -2.44 0.00 0.00 57.07 55.40 3i4c s TYR 279 Cb -0.16 0.17 -0.07 0.00 0.35 0.00 0.00 41.96 42.25 3i4c s TYR 279 CO -0.08 -0.25 1.95 -1.58 -1.34 0.00 0.00 175.55 174.26 3i4c s HIS 280 N 0.70 1.41 0.21 4.97 5.65 -1.26 -4.90 115.29 122.07 3i4c s HIS 280 Ca -0.04 -0.09 -0.10 0.00 0.25 0.00 0.00 55.06 55.08 3i4c s HIS 280 Cb -0.05 -4.12 0.30 0.00 -1.18 0.00 0.00 32.58 27.53 3i4c s HIS 280 CO -0.05 -4.83 1.70 0.00 -0.65 0.00 0.00 174.74 170.91 3i4c h ALA 281 N 11.44 0.70 -0.14 1.58 0.00 -2.00 -1.50 119.26 129.33 3i4c h ALA 281 Ca -0.45 0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3i4c h ALA 281 Cb 1.22 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3i4c h ALA 281 CO 0.95 -0.32 0.15 -1.35 0.00 0.00 0.00 179.25 178.68 3i4c h PRO 282 N 0.23 0.00 -0.08 0.00 0.11 -2.00 0.32 132.00 130.59 3i4c h PRO 282 Ca 0.32 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.26 3i4c h PRO 282 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3i4c h PRO 282 CO -0.42 0.00 -0.66 -0.07 -0.21 0.00 0.00 178.00 176.64 3i4c h LEU 283 N 0.00 0.39 -0.11 2.35 3.38 -1.66 -1.50 115.31 118.16 3i4c h LEU 283 Ca 0.07 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3i4c h LEU 283 Cb 0.37 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i4c h LEU 283 CO -0.00 0.94 -0.14 0.40 0.09 0.00 0.00 178.44 179.74 3i4c h ILE 284 N 0.24 1.37 -0.28 1.22 2.04 -0.91 -2.73 117.51 118.46 3i4c h ILE 284 Ca -0.02 -1.34 -0.09 0.00 1.00 0.00 0.00 64.86 64.41 3i4c h ILE 284 Cb 1.20 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.27 3i4c h ILE 284 CO 0.11 0.38 -0.19 0.71 0.00 0.00 0.00 178.15 179.16 3i4c h THR 285 N -0.12 1.30 -0.57 -0.27 1.35 -1.38 0.45 112.91 113.67 3i4c h THR 285 Ca 0.01 -1.33 -0.03 0.00 -0.55 0.00 0.00 66.41 64.52 3i4c h THR 285 Cb 0.68 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 3i4c h THR 285 CO 0.03 0.42 0.24 -0.07 -0.25 0.00 0.00 175.52 175.89 3i4c h LEU 286 N 0.35 0.74 -2.05 3.87 3.38 -1.36 -3.07 115.31 117.18 3i4c h LEU 286 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i4c h LEU 286 Cb 0.74 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3i4c h LEU 286 CO 0.05 0.66 0.00 -1.20 0.09 0.00 0.00 178.44 178.04 3i4c n SER 287 N -4.34 2.90 -3.88 -0.43 7.64 -1.03 -4.98 113.62 109.50 3i4c n SER 287 Ca 0.05 -1.86 -0.30 0.00 1.01 0.00 0.00 58.87 57.76 3i4c n SER 287 Cb 0.15 -0.12 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.14 -4.78 -2.09 1.43 1.02 0.10 0.81 120.64 118.27 3i4c n GLU 288 Ca 0.14 0.55 -0.29 0.00 -0.02 0.00 0.00 57.16 57.53 3i4c n GLU 288 Cb 0.50 -5.39 0.03 0.00 -0.02 0.00 0.00 31.44 26.56 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 -3.24 4.05 -0.01 -3.67 -4.36 -0.93 -3.49 121.20 109.56 3i4c s ILE 289 Ca 0.64 0.46 0.02 0.00 -0.26 0.00 0.00 60.65 61.51 3i4c s ILE 289 Cb -0.33 -3.63 -0.00 0.00 1.25 0.00 0.00 42.46 39.75 3i4c s ILE 289 CO 0.79 -0.77 -0.06 -1.10 0.24 0.00 0.00 174.94 174.04 3i4c s GLN 290 N -5.15 0.58 -0.23 0.37 -0.21 -0.41 -4.89 119.66 109.72 3i4c s GLN 290 Ca 0.55 -0.21 -0.05 0.00 0.02 0.00 0.00 55.36 55.67 3i4c s GLN 290 Cb -0.11 -0.57 -0.02 0.00 1.00 0.00 0.00 33.01 33.32 3i4c s GLN 290 CO 0.50 0.10 -0.00 -0.06 -2.12 0.00 0.00 175.29 173.71 3i4c s PHE 291 N 0.03 3.00 -0.03 0.91 0.08 -1.26 -0.12 117.98 120.59 3i4c s PHE 291 Ca 0.00 -0.73 0.04 0.00 0.12 0.00 0.00 56.93 56.36 3i4c s PHE 291 Cb -0.05 -2.14 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 3i4c s PHE 291 CO -0.00 -0.46 -0.16 0.14 -0.10 0.00 0.00 175.22 174.64 3i4c s VAL 292 N 1.47 1.33 0.22 -0.44 -7.23 -0.22 -4.95 120.40 110.57 3i4c s VAL 292 Ca 0.05 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.60 3i4c s VAL 292 Cb -0.15 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 3i4c s VAL 292 CO -0.01 0.38 0.26 -0.83 -0.31 0.00 0.00 175.10 174.59 3i4c s GLY 293 N -0.12 1.42 0.01 2.32 0.00 -1.26 -0.72 107.32 108.97 3i4c s GLY 293 Ca 0.00 -1.28 -0.28 0.00 0.00 0.00 0.00 44.72 43.17 3i4c s GLY 293 CO 0.01 -1.30 0.74 -0.45 0.00 0.00 0.00 173.10 172.09 3i4c s SER 294 N -3.71 -0.54 0.00 1.64 0.15 -0.80 -4.92 113.70 105.52 3i4c s SER 294 Ca 0.33 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.30 3i4c s SER 294 Cb -0.09 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 3i4c s SER 294 CO 0.27 -0.69 0.00 -0.11 1.20 0.00 0.00 173.24 173.91 3i4c n LEU 295 N 0.28 0.00 0.00 3.45 7.94 -1.26 -4.01 117.00 123.40 3i4c n LEU 295 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3i4c n LEU 295 Cb 0.60 0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.62 3i4c n LEU 295 CO 0.17 -0.21 0.00 1.33 -1.11 0.00 0.00 177.39 177.56 3i4c n VAL 296 N -1.93 0.00 -3.59 1.96 0.24 -1.26 -4.68 118.33 109.08 3i4c n VAL 296 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 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 -0.83 -2.14 0.00 0.00 176.83 173.86 3i4c s GLY 297 N 0.00 -0.44 0.00 7.63 0.00 -1.26 -4.26 107.32 108.98 3i4c s GLY 297 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.62 3i4c s GLY 297 CO 0.00 0.18 0.00 1.16 0.00 0.00 0.00 173.10 174.44 3i4c n ASN 298 N -0.46 0.70 0.00 1.64 0.23 -1.26 -4.57 115.26 111.54 3i4c n ASN 298 Ca -0.08 -0.86 0.05 0.00 -0.53 0.00 0.00 54.58 53.16 3i4c n ASN 298 Cb 0.63 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.77 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 0.50 -0.50 -3.83 1.08 -1.93 -1.03 115.11 109.40 3i4c h GLN 299 Ca 0.00 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 3i4c h GLN 299 Cb 0.00 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 3i4c h GLN 299 CO 0.00 0.33 -0.13 1.03 -0.95 0.00 0.00 178.83 179.11 3i4c h SER 300 N 0.51 0.97 -0.60 1.46 0.87 -1.95 0.03 113.55 114.84 3i4c h SER 300 Ca 0.16 -0.36 -0.10 0.00 -1.23 0.00 0.00 61.79 60.26 3i4c h SER 300 Cb 0.02 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3i4c h SER 300 CO -0.04 1.11 0.01 0.44 -0.53 0.00 0.00 176.83 177.82 3i4c h ASP 301 N 0.82 1.04 -0.31 6.23 3.32 -1.69 -1.16 116.42 124.67 3i4c h ASP 301 Ca 0.12 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3i4c h ASP 301 Cb 0.69 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3i4c h ASP 301 CO 0.05 1.09 0.06 0.15 -1.72 0.00 0.00 179.24 178.87 3i4c h PHE 302 N 0.96 0.53 -0.94 4.55 3.57 -1.04 -1.81 116.94 122.77 3i4c h PHE 302 Ca 0.17 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3i4c h PHE 302 Cb 0.55 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 3i4c h PHE 302 CO 0.04 0.57 0.62 1.25 -2.23 0.00 0.00 178.31 178.56 3i4c h LEU 303 N 0.34 1.08 0.05 0.59 5.85 -0.84 -1.80 115.31 120.56 3i4c h LEU 303 Ca 0.10 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3i4c h LEU 303 Cb 0.32 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3i4c h LEU 303 CO 0.00 0.78 -0.02 1.23 -0.34 0.00 0.00 178.44 180.09 3i4c h GLY 304 N 1.27 -0.07 1.42 3.75 0.00 -0.91 -1.49 103.07 107.04 3i4c h GLY 304 Ca 0.34 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 3i4c h GLY 304 CO -0.08 -0.03 -0.11 1.19 0.00 0.00 0.00 176.54 177.52 3i4c h ILE 305 N -0.33 1.25 -0.36 2.60 6.09 -1.26 -1.98 117.51 123.52 3i4c h ILE 305 Ca -0.01 -1.13 -0.14 0.00 -1.37 0.00 0.00 64.86 62.22 3i4c h ILE 305 Cb 0.30 1.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 3i4c h ILE 305 CO 0.01 0.38 -0.34 0.24 -3.07 0.00 0.00 178.15 175.37 3i4c h MET 306 N 0.63 0.83 -0.59 2.19 2.86 -1.32 0.02 114.93 119.53 3i4c h MET 306 Ca 0.11 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 3i4c h MET 306 Cb 0.56 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 3i4c h MET 306 CO 0.03 1.04 0.20 0.00 1.06 0.00 0.00 176.91 179.25 3i4c h ARG 307 N 0.69 0.91 0.02 1.72 2.47 -1.09 0.49 114.38 119.60 3i4c h ARG 307 Ca 0.07 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3i4c h ARG 307 Cb 0.89 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 3i4c h ARG 307 CO 0.08 0.80 -0.01 -0.07 0.56 0.00 0.00 179.97 181.33 3i4c h LEU 308 N 0.83 -0.02 -0.31 3.04 3.38 -1.15 -1.95 115.31 119.14 3i4c h LEU 308 Ca 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i4c h LEU 308 Cb 0.26 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3i4c h LEU 308 CO -0.01 0.14 0.16 0.00 0.09 0.00 0.00 178.44 178.83 3i4c h ALA 309 N 0.78 0.39 0.00 1.53 0.00 -0.88 -0.35 119.26 120.74 3i4c h ALA 309 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i4c h ALA 309 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i4c h ALA 309 CO 0.00 -0.07 -0.07 0.93 0.00 0.00 0.00 179.25 180.05 3i4c h GLU 310 N 0.37 0.00 -0.01 0.00 4.39 -0.89 0.72 114.58 119.17 3i4c h GLU 310 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3i4c h GLU 310 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3i4c h GLU 310 CO -0.02 0.07 -0.20 0.00 -1.16 0.00 0.00 179.01 177.70 3i4c n ALA 311 N -2.31 2.96 -0.98 3.43 0.00 -0.74 -4.72 120.51 118.16 3i4c n ALA 311 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3i4c n ALA 311 Cb 0.16 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.30 0.61 0.18 0.00 0.00 0.25 -4.88 105.19 102.65 3i4c n GLY 312 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 1.56 0.00 -3.76 1.61 1.57 -1.30 -3.41 116.57 112.84 3i4c h LYS 313 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 3i4c h LYS 313 Cb 0.08 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.01 3i4c h LYS 313 CO 0.00 0.00 -0.77 0.08 -0.57 0.00 0.00 179.45 178.19 3i4c s VAL 314 N -3.34 0.40 0.44 0.50 1.01 -1.19 -4.84 120.40 113.37 3i4c s VAL 314 Ca 0.05 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 3i4c s VAL 314 Cb 0.09 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.86 3i4c s VAL 314 CO 0.54 0.25 0.88 -0.54 0.00 0.00 0.00 175.10 176.22 3i4c s LYS 315 N 1.74 3.94 0.75 2.72 1.02 -1.26 -4.23 119.74 124.41 3i4c s LYS 315 Ca 0.01 0.78 -0.14 0.00 0.02 0.00 0.00 55.97 56.64 3i4c s LYS 315 Cb -0.13 -2.27 0.05 0.00 -0.52 0.00 0.00 37.83 34.97 3i4c s LYS 315 CO -0.04 -0.10 1.17 -2.14 -0.92 0.00 0.00 175.35 173.32 3i4c s PRO 316 N -3.73 2.08 0.63 -1.68 0.02 -1.26 -4.98 135.00 126.07 3i4c s PRO 316 Ca 0.56 1.62 -0.16 0.00 0.02 0.00 0.00 61.00 63.04 3i4c s PRO 316 Cb -0.10 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 3i4c s PRO 316 CO 0.27 -1.85 1.11 -1.64 -0.33 0.00 0.00 177.00 174.56 3i4c s MET 317 N -4.14 2.98 -0.03 5.54 -1.94 -1.26 -4.93 119.30 115.52 3i4c s MET 317 Ca 0.71 1.41 -0.30 0.00 -1.71 0.00 0.00 55.69 55.80 3i4c s MET 317 Cb -0.26 -1.97 -0.06 0.00 2.01 0.00 0.00 34.83 34.55 3i4c s MET 317 CO 0.47 -1.11 1.63 0.42 -0.01 0.00 0.00 175.02 176.43 3i4c s ILE 318 N -2.23 3.51 0.21 2.53 1.01 -1.26 -4.96 121.20 120.01 3i4c s ILE 318 Ca 0.68 0.70 0.11 0.00 0.00 0.00 0.00 60.65 62.14 3i4c s ILE 318 Cb -0.21 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 3i4c s ILE 318 CO 0.38 -0.05 -0.21 -0.89 0.00 0.00 0.00 174.94 174.17 3i4c s THR 319 N 3.70 2.23 -0.23 2.92 2.01 -1.26 -4.79 115.64 120.21 3i4c s THR 319 Ca 0.73 -2.12 -0.00 0.00 0.31 0.00 0.00 61.69 60.61 3i4c s THR 319 Cb -0.34 -2.10 0.06 0.00 0.01 0.00 0.00 72.50 70.13 3i4c s THR 319 CO 0.30 -0.27 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.18 3i4c s LYS 320 N -2.98 1.35 0.34 4.92 2.47 -1.26 -4.99 119.74 119.58 3i4c s LYS 320 Ca 0.22 -0.86 -0.26 0.00 -1.56 0.00 0.00 55.97 53.51 3i4c s LYS 320 Cb -0.06 -2.46 -0.10 0.00 -1.46 0.00 0.00 37.83 33.75 3i4c s LYS 320 CO 0.10 -0.62 0.99 0.95 0.16 0.00 0.00 175.35 176.93 3i4c s THR 321 N 1.51 4.00 0.28 3.43 -4.23 -1.26 -1.67 115.64 117.71 3i4c s THR 321 Ca -0.04 1.67 0.02 0.00 -1.18 0.00 0.00 61.69 62.16 3i4c s THR 321 Cb -0.18 -3.93 -0.03 0.00 1.34 0.00 0.00 72.50 69.70 3i4c s THR 321 CO -0.07 0.14 0.25 -0.04 -0.54 0.00 0.00 174.62 174.36 3i4c s MET 322 N -2.07 1.56 0.33 3.99 -1.94 0.34 -4.91 119.30 116.59 3i4c s MET 322 Ca 0.51 -1.81 -0.08 0.00 -1.71 0.00 0.00 55.69 52.60 3i4c s MET 322 Cb -0.21 0.32 -0.06 0.00 2.01 0.00 0.00 34.83 36.89 3i4c s MET 322 CO 0.27 -0.57 0.65 0.15 -0.01 0.00 0.00 175.02 175.51 3i4c s LYS 323 N -3.70 3.72 0.37 2.03 -0.14 -1.26 0.40 119.74 121.16 3i4c s LYS 323 Ca 0.38 0.23 0.08 0.00 -1.36 0.00 0.00 55.97 55.31 3i4c s LYS 323 Cb 0.04 -2.54 0.80 0.00 -1.68 0.00 0.00 37.83 34.45 3i4c s LYS 323 CO 0.20 0.12 1.92 1.25 -0.76 0.00 0.00 175.35 178.08 3i4c h LEU 324 N 1.59 0.63 -1.05 3.17 5.85 -1.84 -0.68 115.31 122.99 3i4c h LEU 324 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3i4c h LEU 324 Cb 1.19 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3i4c h LEU 324 CO 0.65 0.37 0.00 -0.33 -0.34 0.00 0.00 178.44 178.79 3i4c h GLU 325 N 0.70 0.00 -0.46 1.25 3.07 -1.94 -2.62 114.58 114.59 3i4c h GLU 325 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 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 -0.14 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.86 3i4c n GLU 326 N -2.59 1.85 -0.00 2.33 1.02 -0.26 -4.39 120.64 118.59 3i4c n GLU 326 Ca 0.01 -0.99 -0.12 0.00 -0.02 0.00 0.00 57.16 56.05 3i4c n GLU 326 Cb 0.26 -1.39 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 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 3.22 -0.53 -0.98 0.62 0.00 -1.58 0.20 119.26 120.21 3i4c h ALA 327 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3i4c h ALA 327 Cb 0.57 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3i4c h ALA 327 CO 0.06 -0.89 0.63 -0.91 0.00 0.00 0.00 179.25 178.13 3i4c h ASN 328 N -0.46 1.00 0.34 0.00 2.35 -1.87 -0.79 115.58 116.14 3i4c h ASN 328 Ca 0.08 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3i4c h ASN 328 Cb 0.61 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3i4c h ASN 328 CO -0.39 0.63 -0.18 -0.08 -1.65 0.00 0.00 177.43 175.76 3i4c h GLU 329 N 1.13 -0.47 -0.60 0.81 4.81 -1.57 0.96 114.58 119.66 3i4c h GLU 329 Ca 0.42 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.79 3i4c h GLU 329 Cb 0.17 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 3i4c h GLU 329 CO -0.18 -0.31 0.18 0.00 -0.73 0.00 0.00 179.01 177.97 3i4c h ALA 330 N 0.17 0.75 -0.40 2.92 0.00 0.00 -0.29 119.26 122.42 3i4c h ALA 330 Ca -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3i4c h ALA 330 Cb 0.39 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i4c h ALA 330 CO 0.06 -0.25 -0.01 0.82 0.00 0.00 0.00 179.25 179.86 3i4c h ILE 331 N 0.33 1.22 0.00 0.00 2.04 -0.85 -3.50 117.51 116.75 3i4c h ILE 331 Ca 0.31 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3i4c h ILE 331 Cb 0.43 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3i4c h ILE 331 CO -0.36 0.32 0.00 0.47 0.00 0.00 0.00 178.15 178.58 3i4c n ASP 332 N -4.24 0.00 0.00 1.72 8.00 0.31 -4.91 116.55 117.43 3i4c n ASP 332 Ca 0.02 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.80 3i4c n ASP 332 Cb 0.28 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3i4c n ASP 332 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4c n GLN 343 N -1.36 0.00 -4.05 -1.24 6.02 -1.26 -5.10 117.38 110.40 3i4c n GLN 343 Ca 0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 3i4c n GLN 343 Cb 0.07 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.17 3i4c n GLN 343 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3i4c s VAL 344 N 0.00 1.71 0.07 5.09 1.01 -0.67 -0.81 120.40 126.81 3i4c s VAL 344 Ca 0.00 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 3i4c s VAL 344 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 3i4c s VAL 344 CO 0.00 0.48 0.81 -0.76 0.00 0.00 0.00 175.10 175.63 3i4c s LEU 345 N 1.43 4.47 -0.31 3.92 1.43 0.24 -0.51 118.68 129.37 3i4c s LEU 345 Ca 0.05 1.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.71 3i4c s LEU 345 Cb -0.13 -3.31 0.07 0.00 0.03 0.00 0.00 46.19 42.85 3i4c s LEU 345 CO -0.11 0.02 -0.01 -0.63 0.23 0.00 0.00 176.35 175.84 3i4c s ILE 346 N -0.14 2.49 -1.22 -0.59 1.01 0.16 -0.82 121.20 122.08 3i4c s ILE 346 Ca 0.40 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.22 3i4c s ILE 346 Cb -0.21 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3i4c s ILE 346 CO 0.25 -0.27 0.30 -2.65 0.00 0.00 0.00 174.94 172.57