#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 3.95 -0.29 3.17 0.52 -1.26 -1.86 118.95 123.18 3i4c s ARG 2 Ca 0.00 0.65 -0.16 0.00 -0.52 0.00 0.00 55.73 55.71 3i4c s ARG 2 Cb 0.00 -2.39 0.13 0.00 0.52 0.00 0.00 34.95 33.22 3i4c s ARG 2 CO 0.00 0.06 0.90 0.00 0.02 0.00 0.00 175.30 176.28 3i4c s ALA 3 N -2.15 -2.21 -0.18 2.13 0.00 -0.87 -2.60 121.76 115.88 3i4c s ALA 3 Ca 0.54 2.25 -0.20 0.00 0.00 0.00 0.00 51.96 54.55 3i4c s ALA 3 Cb -0.10 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 3i4c s ALA 3 CO 0.22 -0.42 0.57 0.08 0.00 0.00 0.00 175.76 176.21 3i4c s VAL 4 N 1.55 5.08 0.12 0.00 1.01 0.22 -0.61 120.40 127.77 3i4c s VAL 4 Ca -0.09 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.03 3i4c s VAL 4 Cb -0.04 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3i4c s VAL 4 CO -0.16 0.17 -0.14 -0.13 0.00 0.00 0.00 175.10 174.83 3i4c s ARG 5 N 1.58 1.01 -0.77 2.72 0.52 0.57 -3.59 118.95 121.00 3i4c s ARG 5 Ca 0.27 -1.21 -0.21 0.00 -0.52 0.00 0.00 55.73 54.05 3i4c s ARG 5 Cb -0.16 -0.92 0.09 0.00 0.52 0.00 0.00 34.95 34.48 3i4c s ARG 5 CO 0.10 0.18 1.05 -1.17 0.02 0.00 0.00 175.30 175.48 3i4c s LEU 6 N -2.37 4.54 0.22 2.53 2.96 0.87 -0.51 118.68 126.92 3i4c s LEU 6 Ca 0.08 -1.36 0.19 0.00 -0.22 0.00 0.00 54.13 52.82 3i4c s LEU 6 Cb -0.06 -2.42 0.04 0.00 0.50 0.00 0.00 46.19 44.25 3i4c s LEU 6 CO 0.03 -1.33 1.17 -0.37 -1.32 0.00 0.00 176.35 174.54 3i4c h VAL 7 N 5.98 0.33 -2.25 1.68 -1.51 -1.85 -3.08 116.25 115.56 3i4c h VAL 7 Ca -0.11 -1.55 -0.07 0.00 -1.23 0.00 0.00 66.70 63.74 3i4c h VAL 7 Cb 1.05 1.94 -0.20 0.00 -2.13 0.00 0.00 31.29 31.95 3i4c h VAL 7 CO 1.17 0.19 0.06 -0.70 -1.23 0.00 0.00 177.57 177.06 3i4c s GLU 8 N -3.12 0.90 0.55 5.19 2.12 -1.26 -4.76 118.70 118.31 3i4c s GLU 8 Ca 0.01 0.35 -0.18 0.00 0.36 0.00 0.00 54.97 55.52 3i4c s GLU 8 Cb 0.08 0.42 -0.06 0.00 0.26 0.00 0.00 34.13 34.84 3i4c s GLU 8 CO 0.76 -0.24 1.06 0.42 -0.54 0.00 0.00 175.26 176.73 3i4c s ILE 9 N -0.78 3.70 0.00 -3.70 1.01 -1.26 -3.61 121.20 116.56 3i4c s ILE 9 Ca -0.08 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.50 3i4c s ILE 9 Cb -0.02 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3i4c s ILE 9 CO 0.06 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.27 3i4c n GLY 10 N -0.53 0.96 3.84 6.18 0.00 -0.40 -4.92 105.19 110.33 3i4c n GLY 10 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3i4c n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4c s LYS 11 N 0.00 3.43 0.80 1.61 3.01 -1.24 -4.95 119.74 122.40 3i4c s LYS 11 Ca 0.00 0.92 -0.11 0.00 -1.01 0.00 0.00 55.97 55.77 3i4c s LYS 11 Cb 0.00 -2.06 0.08 0.00 -1.01 0.00 0.00 37.83 34.84 3i4c s LYS 11 CO 0.00 -0.71 1.12 -1.25 0.51 0.00 0.00 175.35 175.02 3i4c s PRO 12 N -4.75 1.94 0.69 -1.68 0.04 -1.26 -4.78 135.00 125.20 3i4c s PRO 12 Ca 0.58 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 3i4c s PRO 12 Cb -0.12 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.58 3i4c s PRO 12 CO 0.47 -1.91 1.11 -0.51 0.04 0.00 0.00 177.00 176.21 3i4c s LEU 13 N -5.98 3.29 -0.03 -3.56 1.43 -1.26 -4.72 118.68 107.84 3i4c s LEU 13 Ca 0.64 1.97 0.05 0.00 -1.03 0.00 0.00 54.13 55.77 3i4c s LEU 13 Cb -0.20 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.45 3i4c s LEU 13 CO 0.55 -1.78 -0.18 -0.55 0.23 0.00 0.00 176.35 174.61 3i4c s SER 14 N -2.76 3.71 -0.82 2.29 0.15 0.33 -4.88 113.70 111.71 3i4c s SER 14 Ca 0.66 -0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.80 3i4c s SER 14 Cb -0.20 -0.67 0.09 0.00 -1.71 0.00 0.00 66.02 63.53 3i4c s SER 14 CO 0.45 0.33 1.10 -0.22 1.20 0.00 0.00 173.24 176.11 3i4c s LEU 15 N -0.74 4.52 0.57 3.45 2.96 -1.26 -0.31 118.68 127.86 3i4c s LEU 15 Ca 0.11 -1.47 0.02 0.00 -0.22 0.00 0.00 54.13 52.57 3i4c s LEU 15 Cb -0.10 -2.43 0.05 0.00 0.50 0.00 0.00 46.19 44.20 3i4c s LEU 15 CO 0.00 -1.31 0.79 -1.10 -1.32 0.00 0.00 176.35 173.42 3i4c s GLN 16 N 3.65 2.42 -0.58 1.98 -0.21 0.22 -4.91 119.66 122.24 3i4c s GLN 16 Ca 0.30 -0.91 0.04 0.00 0.02 0.00 0.00 55.36 54.81 3i4c s GLN 16 Cb -0.09 -2.49 0.16 0.00 1.00 0.00 0.00 33.01 31.59 3i4c s GLN 16 CO -0.00 -0.80 0.40 -2.00 -2.12 0.00 0.00 175.29 170.77 3i4c s GLU 17 N -4.79 1.86 0.53 2.91 2.56 -1.26 -2.05 118.70 118.46 3i4c s GLU 17 Ca 0.59 -2.79 0.06 0.00 0.00 0.00 0.00 54.97 52.82 3i4c s GLU 17 Cb -0.09 -2.73 0.05 0.00 2.00 0.00 0.00 34.13 33.35 3i4c s GLU 17 CO 0.39 -1.29 0.73 0.96 -0.56 0.00 0.00 175.26 175.49 3i4c s ILE 18 N -0.74 2.59 0.61 -3.70 -4.36 -0.78 -4.75 121.20 110.09 3i4c s ILE 18 Ca 0.26 -0.88 -0.10 0.00 -0.26 0.00 0.00 60.65 59.67 3i4c s ILE 18 Cb -0.06 -2.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 3i4c s ILE 18 CO -0.14 0.00 1.00 -0.83 0.24 0.00 0.00 174.94 175.21 3i4c s GLY 19 N -4.50 1.63 -0.36 6.27 0.00 -1.26 0.95 107.32 110.05 3i4c s GLY 19 Ca 0.59 -0.22 -0.21 0.00 0.00 0.00 0.00 44.72 44.87 3i4c s GLY 19 CO 0.37 0.05 0.68 0.14 0.00 0.00 0.00 173.10 174.34 3i4c s VAL 20 N -3.14 4.84 0.76 1.40 1.01 -1.26 -4.72 120.40 119.29 3i4c s VAL 20 Ca 0.54 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 3i4c s VAL 20 Cb -0.11 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.16 3i4c s VAL 20 CO 0.52 -0.36 0.81 -2.65 0.00 0.00 0.00 175.10 173.41 3i4c n PRO 21 N 6.17 0.29 -3.85 2.72 -0.02 -1.26 -4.99 135.00 134.06 3i4c n PRO 21 Ca 0.00 0.15 -0.36 0.00 -2.02 0.00 0.00 63.50 61.28 3i4c n PRO 21 Cb 0.48 -2.09 -0.13 0.00 -0.02 0.00 0.00 33.50 31.74 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 -3.32 3.34 0.14 -0.52 2.36 -1.26 -5.02 119.74 115.46 3i4c s LYS 22 Ca 0.69 -0.66 -0.31 0.00 -2.55 0.00 0.00 55.97 53.13 3i4c s LYS 22 Cb -0.32 -3.14 -0.09 0.00 -1.05 0.00 0.00 37.83 33.22 3i4c s LYS 22 CO 0.55 -0.26 1.56 -1.25 1.55 0.00 0.00 175.35 177.50 3i4c s PRO 23 N 1.50 4.23 0.02 4.03 0.04 -1.26 -5.02 135.00 138.54 3i4c s PRO 23 Ca 0.05 2.32 0.06 0.00 0.04 0.00 0.00 61.00 63.46 3i4c s PRO 23 Cb -0.15 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 3i4c s PRO 23 CO -0.01 -0.61 -0.17 -1.59 0.04 0.00 0.00 177.00 174.66 3i4c s LYS 24 N 1.45 1.20 7.85 4.56 -2.85 -1.26 -4.32 119.74 126.36 3i4c s LYS 24 Ca 0.70 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 3i4c s LYS 24 Cb -0.42 -1.22 0.00 0.00 -2.06 0.00 0.00 37.83 34.13 3i4c s LYS 24 CO 0.31 0.32 0.00 0.41 0.10 0.00 0.00 175.35 176.49 3i4c n GLY 25 N 2.15 3.55 0.09 0.59 0.00 -1.26 -2.24 105.19 108.07 3i4c n GLY 25 Ca -0.17 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 13.52 0.67 -1.35 1.61 -0.04 -1.26 -0.53 135.00 147.62 3i4c n PRO 26 Ca 0.00 -0.19 -0.32 0.00 -0.04 0.00 0.00 63.50 62.95 3i4c n PRO 26 Cb 0.00 -1.50 0.09 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 -2.46 2.17 -0.01 0.54 -0.21 -0.95 -1.62 119.66 117.12 3i4c s GLN 27 Ca 0.30 1.43 0.01 0.00 0.02 0.00 0.00 55.36 57.12 3i4c s GLN 27 Cb 0.20 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.35 3i4c s GLN 27 CO 0.47 -1.74 -0.04 0.08 -2.12 0.00 0.00 175.29 171.93 3i4c s VAL 28 N -2.49 0.37 -0.22 1.09 1.01 -0.59 -0.63 120.40 118.94 3i4c s VAL 28 Ca 0.67 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.40 3i4c s VAL 28 Cb -0.22 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 3i4c s VAL 28 CO 0.50 0.13 0.11 -0.22 0.00 0.00 0.00 175.10 175.62 3i4c s LEU 29 N 0.16 3.88 -0.07 3.92 2.96 0.11 -0.48 118.68 129.17 3i4c s LEU 29 Ca -0.01 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3i4c s LEU 29 Cb -0.05 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3i4c s LEU 29 CO -0.00 0.08 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.35 3i4c s ILE 30 N 0.97 3.23 -0.55 6.68 1.01 0.30 -0.21 121.20 132.63 3i4c s ILE 30 Ca 0.06 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 3i4c s ILE 30 Cb -0.14 -2.30 0.06 0.00 0.01 0.00 0.00 42.46 40.10 3i4c s ILE 30 CO 0.03 0.58 0.76 -0.75 0.00 0.00 0.00 174.94 175.56 3i4c s LYS 31 N -0.49 3.16 0.02 2.79 2.20 0.87 -1.07 119.74 127.22 3i4c s LYS 31 Ca 0.07 -0.80 -0.34 0.00 -0.36 0.00 0.00 55.97 54.54 3i4c s LYS 31 Cb -0.12 -4.13 -0.12 0.00 -1.51 0.00 0.00 37.83 31.95 3i4c s LYS 31 CO 0.02 -1.42 1.78 0.28 -0.36 0.00 0.00 175.35 175.64 3i4c n VAL 32 N 5.79 0.38 0.09 4.02 0.31 -0.54 -2.11 118.33 126.27 3i4c n VAL 32 Ca -0.05 -0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.26 3i4c n VAL 32 Cb 0.45 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 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 5.51 1.18 -3.67 5.55 1.02 -0.71 -4.47 120.64 125.04 3i4c n GLU 33 Ca 0.20 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 3i4c n GLU 33 Cb 0.30 -1.13 -0.09 0.00 -0.02 0.00 0.00 31.44 30.50 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 -2.40 -1.36 -0.32 0.62 0.00 -0.65 -4.65 121.76 113.00 3i4c s ALA 34 Ca -0.02 1.84 0.00 0.00 0.00 0.00 0.00 51.96 53.78 3i4c s ALA 34 Cb 0.06 -1.17 0.10 0.00 0.00 0.00 0.00 23.12 22.11 3i4c s ALA 34 CO 0.35 -0.39 0.08 0.00 0.00 0.00 0.00 175.76 175.80 3i4c s ALA 35 N 1.70 1.86 0.72 0.00 0.00 0.38 -2.71 121.76 123.71 3i4c s ALA 35 Ca -0.09 -1.87 -0.15 0.00 0.00 0.00 0.00 51.96 49.86 3i4c s ALA 35 Cb -0.08 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.37 3i4c s ALA 35 CO -0.15 -1.66 1.17 0.20 0.00 0.00 0.00 175.76 175.32 3i4c s GLY 36 N 1.45 2.26 -0.05 0.00 0.00 -0.22 -0.12 107.32 110.63 3i4c s GLY 36 Ca 0.10 0.77 0.01 0.00 0.00 0.00 0.00 44.72 45.60 3i4c s GLY 36 CO -0.21 1.16 -0.06 0.14 0.00 0.00 0.00 173.10 174.13 3i4c s VAL 37 N -2.12 0.62 0.24 1.40 1.01 -0.10 -4.38 120.40 117.07 3i4c s VAL 37 Ca 0.72 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.53 3i4c s VAL 37 Cb -0.26 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3i4c s VAL 37 CO 0.45 0.24 0.14 0.00 0.00 0.00 0.00 175.10 175.93 3i4c h HIS 39 N 2.47 0.00 -0.09 0.00 2.76 -1.97 0.17 115.15 118.48 3i4c h HIS 39 Ca -0.35 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 57.84 3i4c h HIS 39 Cb 1.25 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.20 3i4c h HIS 39 CO 0.59 0.00 0.07 0.77 -1.30 0.00 0.00 177.93 178.06 3i4c h SER 40 N 0.00 0.00 1.11 3.26 0.02 -2.01 0.10 113.55 116.03 3i4c h SER 40 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3i4c h SER 40 Cb 1.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.10 3i4c h SER 40 CO -0.00 0.00 0.00 0.44 -1.14 0.00 0.00 176.83 176.13 3i4c h ASP 41 N 0.00 0.00 -0.18 3.07 3.32 -1.07 -2.30 116.42 119.26 3i4c h ASP 41 Ca 0.04 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 3i4c h ASP 41 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3i4c h ASP 41 CO -0.00 0.00 -0.57 0.58 -1.72 0.00 0.00 179.24 177.53 3i4c h VAL 42 N 0.00 1.29 -0.19 -1.35 2.07 -0.91 -2.55 116.25 114.61 3i4c h VAL 42 Ca 0.00 -1.77 -0.14 0.00 0.82 0.00 0.00 66.70 65.61 3i4c h VAL 42 Cb 0.56 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3i4c h VAL 42 CO 0.00 0.57 -0.46 0.45 0.02 0.00 0.00 177.57 178.15 3i4c h HIS 43 N 0.59 0.58 0.17 1.57 3.86 -1.43 -2.68 115.15 117.82 3i4c h HIS 43 Ca 0.01 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 3i4c h HIS 43 Cb 1.16 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.51 3i4c h HIS 43 CO 0.07 0.86 -0.08 0.52 0.86 0.00 0.00 177.93 180.15 3i4c h MET 44 N 0.39 -0.22 0.00 2.45 2.07 -1.29 -1.42 114.93 116.92 3i4c h MET 44 Ca 0.02 0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.63 3i4c h MET 44 Cb 0.96 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.74 3i4c h MET 44 CO 0.08 -0.13 -0.20 -0.09 1.07 0.00 0.00 176.91 177.65 3i4c h ARG 45 N -0.24 0.00 -0.09 1.72 2.43 -1.46 -1.38 114.38 115.35 3i4c h ARG 45 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i4c h ARG 45 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3i4c h ARG 45 CO 0.04 0.20 0.00 1.04 -1.51 0.00 0.00 179.97 179.74 3i4c n GLN 46 N -4.12 1.33 -0.37 0.20 6.02 -0.99 -1.27 117.38 118.18 3i4c n GLN 46 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 3i4c n GLN 46 Cb 0.27 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.25 3i4c n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i4c n GLY 47 N 0.89 1.10 2.52 1.08 0.00 -0.52 -4.62 105.19 105.63 3i4c n GLY 47 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3i4c n GLY 47 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i4c n ARG 48 N -2.00 0.91 -2.69 1.61 1.85 -0.58 -4.99 116.66 110.77 3i4c n ARG 48 Ca 0.00 -2.21 -0.02 0.00 -1.00 0.00 0.00 57.85 54.62 3i4c n ARG 48 Cb 0.00 0.15 0.03 0.00 -1.05 0.00 0.00 32.46 31.59 3i4c n ARG 48 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 3i4c s PHE 49 N -1.69 -0.32 0.00 2.89 5.36 -1.26 -3.62 117.98 119.34 3i4c s PHE 49 Ca 0.25 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 3i4c s PHE 49 Cb -0.02 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.72 3i4c s PHE 49 CO 0.16 -0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.09 3i4c n GLY 50 N 2.83 1.69 0.00 13.12 0.00 -1.26 -5.14 105.19 116.42 3i4c n GLY 50 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i4c n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i4c n ASN 51 N 3.53 0.00 0.00 1.61 0.23 -1.26 -4.94 115.26 114.43 3i4c n ASN 51 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i4c n ASN 51 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3i4c n ASN 51 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3i4c n VAL 60 N 0.00 0.00 -4.06 3.53 0.31 -1.26 -5.05 118.33 111.80 3i4c n VAL 60 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 3i4c n VAL 60 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 3i4c n VAL 60 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i4c s LYS 61 N -5.26 2.21 0.45 5.55 3.01 -1.26 -5.12 119.74 119.32 3i4c s LYS 61 Ca 0.00 -1.25 -0.21 0.00 -1.01 0.00 0.00 55.97 53.49 3i4c s LYS 61 Cb 0.00 -2.81 -0.09 0.00 -1.01 0.00 0.00 37.83 33.91 3i4c s LYS 61 CO 0.00 -0.54 1.02 -0.51 0.51 0.00 0.00 175.35 175.83 3i4c s LEU 62 N 1.16 3.95 0.56 3.17 1.43 -1.26 -4.26 118.68 123.42 3i4c s LEU 62 Ca -0.07 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 3i4c s LEU 62 Cb -0.19 -4.45 -0.05 0.00 0.03 0.00 0.00 46.19 41.53 3i4c s LEU 62 CO -0.06 -0.61 0.96 -2.16 0.23 0.00 0.00 176.35 174.71 3i4c s PRO 63 N -3.00 3.69 -0.05 1.29 0.04 -1.26 -5.10 135.00 130.60 3i4c s PRO 63 Ca 0.63 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.28 3i4c s PRO 63 Cb -0.17 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.23 3i4c s PRO 63 CO 0.21 -0.40 0.21 0.54 0.04 0.00 0.00 177.00 177.60 3i4c s VAL 64 N -2.91 0.03 -0.12 -0.36 0.11 -1.16 -4.96 120.40 111.02 3i4c s VAL 64 Ca 0.54 -0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.12 3i4c s VAL 64 Cb -0.11 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3i4c s VAL 64 CO 0.45 -0.13 0.76 -0.89 -3.33 0.00 0.00 175.10 171.96 3i4c s THR 65 N -0.43 4.97 1.03 5.04 2.01 -1.26 -0.09 115.64 126.91 3i4c s THR 65 Ca -0.05 1.52 -0.17 0.00 0.31 0.00 0.00 61.69 63.29 3i4c s THR 65 Cb -0.04 -4.08 0.23 0.00 0.01 0.00 0.00 72.50 68.63 3i4c s THR 65 CO 0.01 0.14 1.30 -0.76 -0.69 0.00 0.00 174.62 174.62 3i4c s LEU 66 N 1.47 2.30 0.00 4.42 1.02 -1.24 0.90 118.68 127.56 3i4c s LEU 66 Ca 0.38 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.80 3i4c s LEU 66 Cb -0.17 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 43.85 3i4c s LEU 66 CO 0.16 -3.14 0.00 0.61 0.02 0.00 0.00 176.35 174.00 3i4c n GLY 67 N -3.23 0.66 1.04 -3.19 0.00 -1.25 -0.57 105.19 98.64 3i4c n GLY 67 Ca 0.16 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 0.51 -3.78 1.61 1.44 -1.25 -0.79 115.22 112.96 3i4c n HIS 68 Ca 0.00 -0.30 -0.34 0.00 -2.01 0.00 0.00 57.72 55.07 3i4c n HIS 68 Cb 0.00 -0.00 -0.10 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 -1.29 2.52 -0.11 -1.40 2.02 -1.26 -4.55 118.70 114.62 3i4c s GLU 69 Ca 0.35 -2.75 -0.04 0.00 0.02 0.00 0.00 54.97 52.56 3i4c s GLU 69 Cb 0.20 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 3i4c s GLU 69 CO 0.28 -1.18 0.06 0.42 0.02 0.00 0.00 175.26 174.85 3i4c s ILE 70 N -0.45 4.78 -0.28 -1.63 1.01 -1.26 -1.06 121.20 122.31 3i4c s ILE 70 Ca 0.19 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 3i4c s ILE 70 Cb -0.18 -3.05 0.09 0.00 0.01 0.00 0.00 42.46 39.32 3i4c s ILE 70 CO -0.05 0.60 0.76 0.00 0.00 0.00 0.00 174.94 176.25 3i4c s ALA 71 N -0.80 -1.89 0.00 9.38 0.00 -1.10 -1.68 121.76 125.67 3i4c s ALA 71 Ca 0.13 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.30 3i4c s ALA 71 Cb -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3i4c s ALA 71 CO 0.03 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3i4c n GLY 72 N 3.50 -1.25 3.87 0.00 0.00 -0.23 -1.64 105.19 109.43 3i4c n GLY 72 Ca -0.17 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.20 3.61 -0.08 1.61 1.02 -0.90 -0.55 119.74 124.24 3i4c s LYS 73 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.74 3i4c s LYS 73 Cb 0.00 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 3i4c s LYS 73 CO 0.00 0.74 1.60 0.42 -0.92 0.00 0.00 175.35 177.19 3i4c s ILE 74 N -1.08 3.69 -0.12 2.17 1.01 0.54 -0.09 121.20 127.32 3i4c s ILE 74 Ca 0.19 0.83 -0.19 0.00 0.00 0.00 0.00 60.65 61.49 3i4c s ILE 74 Cb -0.14 -3.55 -0.26 0.00 0.01 0.00 0.00 42.46 38.53 3i4c s ILE 74 CO 0.08 -0.09 0.54 -0.08 0.00 0.00 0.00 174.94 175.40 3i4c h GLU 75 N 9.44 0.18 -2.07 2.79 4.57 -0.91 0.19 114.58 128.77 3i4c h GLU 75 Ca -0.37 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 57.45 3i4c h GLU 75 Cb 1.17 0.11 -0.20 0.00 -0.16 0.00 0.00 28.75 29.67 3i4c h GLU 75 CO 0.96 1.15 0.13 -2.00 -1.18 0.00 0.00 179.01 178.07 3i4c s GLU 76 N -2.43 0.93 0.11 1.92 2.12 -1.05 -4.83 118.70 115.48 3i4c s GLU 76 Ca -0.21 0.55 0.08 0.00 0.36 0.00 0.00 54.97 55.75 3i4c s GLU 76 Cb 0.04 0.45 -0.04 0.00 0.26 0.00 0.00 34.13 34.83 3i4c s GLU 76 CO 0.73 -0.22 -0.14 0.14 -0.54 0.00 0.00 175.26 175.23 3i4c s VAL 77 N -0.51 3.09 0.93 3.70 -7.23 -1.26 0.09 120.40 119.21 3i4c s VAL 77 Ca -0.06 -1.41 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 3i4c s VAL 77 Cb -0.02 -2.44 0.15 0.00 0.56 0.00 0.00 36.38 34.63 3i4c s VAL 77 CO 0.06 0.10 1.09 -0.83 -0.31 0.00 0.00 175.10 175.20 3i4c s GLY 78 N -2.20 1.60 0.00 2.32 0.00 0.19 -4.88 107.32 104.35 3i4c s GLY 78 Ca 0.20 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.82 3i4c s GLY 78 CO 0.12 0.40 0.84 2.09 0.00 0.00 0.00 173.10 176.55 3i4c n ASP 79 N -3.98 0.00 -0.00 1.64 5.75 -1.10 -2.36 116.55 116.50 3i4c n ASP 79 Ca 0.07 -1.35 0.01 0.00 -0.01 0.00 0.00 54.79 53.50 3i4c n ASP 79 Cb 0.56 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.56 6.02 -1.85 0.11 1.02 0.31 -4.92 120.64 120.77 3i4c n GLU 80 Ca 0.02 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 3i4c n GLU 80 Cb 0.01 -0.62 -0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 -1.24 2.15 -0.01 2.62 1.01 -1.00 -4.74 120.40 119.20 3i4c s VAL 81 Ca 0.01 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3i4c s VAL 81 Cb 0.01 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3i4c s VAL 81 CO 0.08 0.04 -0.02 -0.69 0.00 0.00 0.00 175.10 174.50 3i4c s VAL 82 N -1.12 0.26 0.00 2.92 1.01 -1.26 -4.84 120.40 117.37 3i4c s VAL 82 Ca 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3i4c s VAL 82 Cb -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.65 3i4c s VAL 82 CO 0.62 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.44 3i4c n GLY 83 N 3.44 0.77 2.96 4.51 0.00 -1.26 -5.03 105.19 110.59 3i4c n GLY 83 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.82 0.34 0.15 1.61 1.51 -1.26 -5.10 117.35 111.78 3i4c s TYR 84 Ca 0.00 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.86 3i4c s TYR 84 Cb 0.00 -0.21 -0.05 0.00 -0.11 0.00 0.00 41.96 41.59 3i4c s TYR 84 CO 0.00 -0.06 -0.08 -1.12 -1.11 0.00 0.00 175.55 173.18 3i4c s SER 85 N -0.67 1.70 0.43 2.29 0.01 -1.26 -5.00 113.70 111.21 3i4c s SER 85 Ca -0.05 -1.05 -0.25 0.00 1.31 0.00 0.00 55.95 55.92 3i4c s SER 85 Cb -0.05 0.01 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 3i4c s SER 85 CO -0.00 -0.38 1.27 1.17 0.41 0.00 0.00 173.24 175.70 3i4c n LYS 86 N -0.21 1.89 0.00 12.44 4.81 -1.26 -1.79 118.16 134.04 3i4c n LYS 86 Ca -0.10 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 3i4c n LYS 86 Cb 0.61 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.27 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 0.82 3.35 3.76 3.14 0.00 0.68 -4.93 105.19 112.01 3i4c n GLY 87 Ca 0.07 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 -0.75 6.47 -0.15 1.61 1.01 -0.74 -4.55 116.67 119.57 3i4c s ASP 88 Ca 0.00 2.91 -0.18 0.00 0.71 0.00 0.00 52.55 55.99 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 -0.81 0.47 -0.22 0.21 0.00 0.00 175.17 174.82 3i4c s LEU 89 N -1.34 4.22 0.08 1.23 2.96 -1.26 -0.34 118.68 124.23 3i4c s LEU 89 Ca 0.56 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 55.16 3i4c s LEU 89 Cb -0.45 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 3i4c s LEU 89 CO 0.54 -0.05 0.04 0.68 -1.32 0.00 0.00 176.35 176.25 3i4c s VAL 90 N 0.96 0.17 0.26 1.68 -7.23 0.28 -0.74 120.40 115.79 3i4c s VAL 90 Ca 0.24 -1.71 0.10 0.00 -1.81 0.00 0.00 61.98 58.80 3i4c s VAL 90 Cb -0.15 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 3i4c s VAL 90 CO 0.09 -0.79 -0.09 0.00 -0.31 0.00 0.00 175.10 174.01 3i4c s ALA 91 N -3.94 2.97 -0.01 1.32 0.00 -0.69 -1.06 121.76 120.34 3i4c s ALA 91 Ca 0.11 -1.70 0.04 0.00 0.00 0.00 0.00 51.96 50.40 3i4c s ALA 91 Cb 0.07 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3i4c s ALA 91 CO -0.07 0.31 -0.12 0.08 0.00 0.00 0.00 175.76 175.96 3i4c s VAL 92 N -2.27 0.94 -0.48 0.00 1.01 -0.67 -1.33 120.40 117.59 3i4c s VAL 92 Ca 0.30 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 3i4c s VAL 92 Cb -0.06 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.56 3i4c s VAL 92 CO 0.17 0.27 0.83 0.21 0.00 0.00 0.00 175.10 176.58 3i4c s ASN 93 N -0.23 6.40 0.48 3.32 2.47 0.54 -4.56 114.94 123.36 3i4c s ASN 93 Ca 0.04 -0.17 0.27 0.00 0.42 0.00 0.00 52.86 53.41 3i4c s ASN 93 Cb -0.05 -2.40 0.98 0.00 -1.45 0.00 0.00 41.25 38.33 3i4c s ASN 93 CO -0.00 -1.01 1.84 1.55 -3.72 0.00 0.00 177.10 175.77 3i4c h PRO 94 N 9.07 0.00 -5.03 0.43 0.13 -1.84 -3.43 132.00 131.33 3i4c h PRO 94 Ca -0.25 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.20 3i4c h PRO 94 Cb 1.08 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.04 3i4c h PRO 94 CO 1.00 0.13 0.03 -1.17 -0.23 0.00 0.00 178.00 177.76 3i4c s LEU 95 N -6.48 4.88 -0.18 1.56 2.96 -1.26 -1.51 118.68 118.64 3i4c s LEU 95 Ca 0.02 -0.79 0.01 0.00 -0.22 0.00 0.00 54.13 53.14 3i4c s LEU 95 Cb 0.09 -2.49 0.03 0.00 0.50 0.00 0.00 46.19 44.32 3i4c s LEU 95 CO 0.61 -0.84 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.55 3i4c s GLN 96 N 2.61 2.46 0.52 1.98 -0.21 -0.06 -4.77 119.66 122.18 3i4c s GLN 96 Ca 0.16 -0.80 -0.19 0.00 0.02 0.00 0.00 55.36 54.55 3i4c s GLN 96 Cb -0.18 -2.42 -0.07 0.00 1.00 0.00 0.00 33.01 31.34 3i4c s GLN 96 CO 0.13 -0.31 1.05 0.20 -2.12 0.00 0.00 175.29 174.24 3i4c s GLY 97 N 1.36 2.42 0.49 3.09 0.00 -1.26 -0.11 107.32 113.31 3i4c s GLY 97 Ca 0.02 0.56 0.31 0.00 0.00 0.00 0.00 44.72 45.61 3i4c s GLY 97 CO -0.10 0.88 1.91 1.05 0.00 0.00 0.00 173.10 176.84 3i4c h GLU 98 N 1.24 0.00 0.00 2.90 -0.00 -1.91 -3.46 114.58 113.35 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 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.00 3i4c n GLY 99 N 0.13 3.12 0.08 1.06 0.00 -1.26 -4.91 105.19 103.42 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 0.08 -3.83 1.61 -1.24 -1.94 -3.37 115.58 106.89 3i4c h ASN 100 Ca 0.00 -0.12 -0.47 0.00 0.71 0.00 0.00 56.30 56.42 3i4c h ASN 100 Cb 0.00 -0.03 0.17 0.00 0.73 0.00 0.00 38.32 39.20 3i4c h ASN 100 CO 0.00 1.10 0.17 0.00 -1.29 0.00 0.00 177.43 177.41 3i4c h TYR 102 N -1.96 -0.23 -0.62 0.00 3.20 -1.98 -1.23 116.97 114.15 3i4c h TYR 102 Ca -0.54 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.33 3i4c h TYR 102 Cb 1.31 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.71 3i4c h TYR 102 CO 0.35 -0.18 0.23 1.88 -1.64 0.00 0.00 178.16 178.80 3i4c h TYR 103 N -0.02 0.92 -0.44 -3.82 0.05 -1.88 -1.15 116.97 110.63 3i4c h TYR 103 Ca 0.18 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.80 3i4c h TYR 103 Cb 0.29 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 3i4c h TYR 103 CO -0.34 0.72 -0.09 0.00 -1.05 0.00 0.00 178.16 177.39 3i4c h ARG 105 N 0.67 0.64 -0.20 0.00 3.08 -0.61 -2.40 114.38 115.56 3i4c h ARG 105 Ca 0.11 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3i4c h ARG 105 Cb 0.62 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3i4c h ARG 105 CO 0.04 0.62 0.00 0.44 -1.07 0.00 0.00 179.97 180.00 3i4c n ILE 106 N -4.28 0.25 -0.63 2.04 -5.35 -0.49 -4.92 119.36 105.98 3i4c n ILE 106 Ca 0.02 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3i4c n ILE 106 Cb 0.24 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 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 1.12 0.61 2.76 3.28 0.00 -0.91 -4.98 105.19 107.07 3i4c n GLY 107 Ca 0.15 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.63 3.27 0.22 1.61 -0.58 0.13 -4.89 120.64 117.77 3i4c n GLU 108 Ca 0.00 -4.71 0.15 0.00 -0.42 0.00 0.00 57.16 52.18 3i4c n GLU 108 Cb 0.00 -2.23 0.80 0.00 -0.57 0.00 0.00 31.44 29.44 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 2.83 0.00 0.00 3.49 4.11 -1.83 -0.51 114.58 122.68 3i4c h GLU 109 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3i4c h GLU 109 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3i4c h GLU 109 CO 0.82 0.00 0.00 1.12 0.07 0.00 0.00 179.01 181.02 3i4c h HIS 110 N 0.00 0.00 -0.55 2.06 2.07 -1.86 -1.72 115.15 115.15 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 0.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.01 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 -2.46 4.60 -4.54 6.12 4.77 -0.20 -4.95 117.00 120.34 3i4c n LEU 111 Ca 0.02 -2.56 -0.41 0.00 -0.03 0.00 0.00 56.01 53.04 3i4c n LEU 111 Cb 0.28 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3i4c n LEU 111 CO 0.23 0.76 0.35 0.00 -1.33 0.00 0.00 177.39 177.41 3i4c h ASP 113 N 1.04 0.00 -1.86 0.00 3.32 -1.95 -3.36 116.42 113.62 3i4c h ASP 113 Ca -0.44 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.09 3i4c h ASP 113 Cb 1.37 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.55 3i4c h ASP 113 CO 0.53 0.50 -1.04 -1.20 -1.72 0.00 0.00 179.24 176.32 3i4c n SER 114 N -3.85 -0.21 -4.86 6.45 7.64 -1.26 -5.14 113.62 112.38 3i4c n SER 114 Ca -0.01 -2.71 -0.30 0.00 1.01 0.00 0.00 58.87 56.86 3i4c n SER 114 Cb 0.53 -0.39 0.06 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.86 2.58 -0.35 1.43 0.04 -1.26 -4.13 135.00 132.45 3i4c s PRO 115 Ca 0.34 0.47 -0.08 0.00 0.04 0.00 0.00 61.00 61.78 3i4c s PRO 115 Cb 0.16 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.74 3i4c s PRO 115 CO -0.13 -1.24 0.15 0.50 0.04 0.00 0.00 177.00 176.32 3i4c s ARG 116 N -5.33 2.73 -0.36 4.56 3.52 0.85 -4.97 118.95 119.95 3i4c s ARG 116 Ca 0.59 -1.12 -0.01 0.00 -0.13 0.00 0.00 55.73 55.06 3i4c s ARG 116 Cb -0.12 -3.57 0.09 0.00 -1.56 0.00 0.00 34.95 29.79 3i4c s ARG 116 CO 0.52 -0.67 0.10 -0.46 -0.81 0.00 0.00 175.30 173.98 3i4c s TRP 117 N 1.47 3.54 0.18 5.12 -0.11 -1.26 -0.88 118.94 127.00 3i4c s TRP 117 Ca 0.00 -2.43 -0.32 0.00 1.22 0.00 0.00 56.10 54.57 3i4c s TRP 117 Cb -0.19 -2.82 -0.12 0.00 -1.50 0.00 0.00 33.47 28.84 3i4c s TRP 117 CO 0.04 -0.92 1.71 1.28 -4.62 0.00 0.00 176.95 174.44 3i4c n LEU 118 N 4.51 3.76 0.00 5.86 4.77 -0.57 -1.00 117.00 134.33 3i4c n LEU 118 Ca -0.04 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 3i4c n LEU 118 Cb 0.42 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 3i4c n LEU 118 CO 0.28 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3i4c n GLY 119 N 3.87 1.19 1.06 -0.72 0.00 0.20 -3.86 105.19 106.94 3i4c n GLY 119 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.95 -0.37 -0.61 2.08 -0.17 -3.85 119.36 115.38 3i4c n ILE 120 Ca 0.00 0.31 0.02 0.00 0.56 0.00 0.00 62.75 63.64 3i4c n ILE 120 Cb 0.00 -1.44 0.03 0.00 -0.75 0.00 0.00 39.64 37.48 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 -3.28 1.86 -3.82 4.38 0.23 -0.40 -4.88 115.26 109.35 3i4c n ASN 121 Ca 0.00 -2.16 -0.12 0.00 -0.53 0.00 0.00 54.58 51.77 3i4c n ASN 121 Cb 0.00 -0.10 -0.10 0.00 -2.08 0.00 0.00 39.78 37.50 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 -1.30 -0.09 0.14 -2.53 5.36 -1.06 -4.76 117.98 113.74 3i4c s PHE 122 Ca 0.07 0.16 -0.34 0.00 -0.96 0.00 0.00 56.93 55.85 3i4c s PHE 122 Cb 0.06 0.02 -0.14 0.00 -0.34 0.00 0.00 43.02 42.62 3i4c s PHE 122 CO 0.01 -0.27 1.55 -0.25 -1.46 0.00 0.00 175.22 174.79 3i4c n ASP 123 N 1.79 2.83 0.00 6.13 8.00 -1.26 0.60 116.55 134.64 3i4c n ASP 123 Ca -0.20 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.39 3i4c n ASP 123 Cb 0.56 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 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 3.29 2.23 0.36 0.44 0.00 0.26 -4.08 105.19 107.69 3i4c n GLY 124 Ca 0.17 -1.96 0.11 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 2.56 -0.75 4.61 0.00 0.02 -4.41 120.51 119.55 3i4c n ALA 125 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 3i4c n ALA 125 Cb 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.08 0.00 -3.84 0.00 4.02 0.26 -4.72 117.16 112.80 3i4c n TYR 126 Ca 0.16 -1.13 -0.08 0.00 -0.01 0.00 0.00 57.90 56.84 3i4c n TYR 126 Cb 0.25 -1.30 0.00 0.00 -0.02 0.00 0.00 39.34 38.27 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 1.48 -0.92 0.23 -0.72 0.00 -1.26 -0.61 121.76 119.96 3i4c s ALA 127 Ca 0.50 -0.57 0.11 0.00 0.00 0.00 0.00 51.96 52.00 3i4c s ALA 127 Cb 0.24 0.77 0.29 0.00 0.00 0.00 0.00 23.12 24.42 3i4c s ALA 127 CO 0.00 -1.00 1.57 0.93 0.00 0.00 0.00 175.76 177.25 3i4c h GLU 128 N 2.01 0.00 -4.24 0.00 5.08 -1.78 -3.41 114.58 112.23 3i4c h GLU 128 Ca -0.26 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.92 3i4c h GLU 128 Cb 1.25 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.31 3i4c h GLU 128 CO 0.33 0.65 -0.70 0.71 -1.00 0.00 0.00 179.01 179.00 3i4c s TYR 129 N -3.45 0.48 -0.07 4.33 2.02 -1.26 -1.46 117.35 117.94 3i4c s TYR 129 Ca -0.01 -0.72 -0.10 0.00 -0.37 0.00 0.00 57.07 55.87 3i4c s TYR 129 Cb 0.12 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.38 3i4c s TYR 129 CO 0.76 -0.22 0.27 0.54 -1.57 0.00 0.00 175.55 175.33 3i4c s VAL 130 N -2.40 0.02 -0.14 0.71 0.11 -0.23 -4.90 120.40 113.58 3i4c s VAL 130 Ca -0.05 -0.19 -0.16 0.00 -2.93 0.00 0.00 61.98 58.66 3i4c s VAL 130 Cb -0.03 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3i4c s VAL 130 CO -0.04 -0.10 0.37 -0.63 -3.33 0.00 0.00 175.10 171.37 3i4c s ILE 131 N -0.35 5.25 -0.33 7.04 -1.09 -1.26 -0.54 121.20 129.92 3i4c s ILE 131 Ca -0.05 0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 58.98 3i4c s ILE 131 Cb -0.03 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3i4c s ILE 131 CO 0.01 0.37 0.17 -0.69 -1.23 0.00 0.00 174.94 173.58 3i4c s VAL 132 N 0.48 4.63 0.28 2.92 1.01 0.37 -4.96 120.40 125.12 3i4c s VAL 132 Ca 0.20 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 3i4c s VAL 132 Cb -0.14 -3.43 0.35 0.00 0.00 0.00 0.00 36.38 33.15 3i4c s VAL 132 CO 0.07 -0.04 1.61 -0.65 0.00 0.00 0.00 175.10 176.08 3i4c h PRO 133 N 8.39 0.07 -3.69 2.72 0.11 -1.91 -1.56 132.00 136.12 3i4c h PRO 133 Ca -0.30 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.53 3i4c h PRO 133 Cb 1.13 -0.01 -0.31 0.00 0.11 0.00 0.00 31.00 31.92 3i4c h PRO 133 CO 0.63 0.04 -0.73 -1.58 -0.21 0.00 0.00 178.00 176.16 3i4c s HIS 134 N -6.07 0.09 0.66 0.65 2.46 -1.26 -3.10 115.29 108.72 3i4c s HIS 134 Ca -0.13 0.04 0.42 0.00 0.47 0.00 0.00 55.06 55.86 3i4c s HIS 134 Cb 0.25 -0.17 2.29 0.00 -0.13 0.00 0.00 32.58 34.83 3i4c s HIS 134 CO 0.77 -0.05 2.30 0.10 -2.47 0.00 0.00 174.74 175.39 3i4c h TYR 135 N 6.72 0.00 0.00 3.88 -0.00 -1.54 -2.64 116.97 123.39 3i4c h TYR 135 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.38 3i4c h TYR 135 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.89 3i4c h TYR 135 CO 0.46 0.00 0.00 1.57 -0.00 0.00 0.00 178.16 180.19 3i4c h LYS 136 N 0.00 0.00 -0.08 0.10 2.10 -1.96 -2.15 116.57 114.59 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 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 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 -2.82 0.09 -3.37 0.07 4.01 -0.99 -4.87 117.16 109.28 3i4c n TYR 137 Ca -0.01 -0.05 -0.20 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 -1.91 3.12 -0.07 -0.72 -1.94 -0.81 -0.34 119.30 116.63 3i4c s MET 138 Ca 0.32 -0.87 -0.03 0.00 -1.71 0.00 0.00 55.69 53.41 3i4c s MET 138 Cb 0.16 -2.76 0.04 0.00 2.01 0.00 0.00 34.83 34.28 3i4c s MET 138 CO 0.26 -0.00 0.08 -0.47 -0.01 0.00 0.00 175.02 174.88 3i4c s TYR 139 N -2.26 0.04 0.01 -0.03 6.14 -0.45 -4.95 117.35 115.86 3i4c s TYR 139 Ca 0.45 0.21 -0.30 0.00 0.64 0.00 0.00 57.07 58.07 3i4c s TYR 139 Cb -0.10 -0.48 -0.07 0.00 0.42 0.00 0.00 41.96 41.73 3i4c s TYR 139 CO 0.33 -0.26 1.69 0.15 0.64 0.00 0.00 175.55 178.09 3i4c s LYS 140 N 2.19 4.19 0.06 4.97 1.02 -1.26 -1.71 119.74 129.20 3i4c s LYS 140 Ca 0.04 2.30 -0.23 0.00 0.02 0.00 0.00 55.97 58.10 3i4c s LYS 140 Cb -0.13 -3.85 -0.06 0.00 -0.52 0.00 0.00 37.83 33.27 3i4c s LYS 140 CO -0.05 -0.81 0.71 -0.51 -0.92 0.00 0.00 175.35 173.77 3i4c s LEU 141 N 3.50 4.48 0.00 3.17 1.43 0.08 -4.93 118.68 126.42 3i4c s LEU 141 Ca 0.75 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3i4c s LEU 141 Cb -0.37 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.71 3i4c s LEU 141 CO 0.32 0.11 0.00 -1.14 0.23 0.00 0.00 176.35 175.87 3i4c n ARG 142 N 2.39 2.60 -0.02 1.70 3.00 -1.26 -4.68 116.66 120.38 3i4c n ARG 142 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.77 3i4c n ARG 142 Cb 0.50 -0.85 -0.03 0.00 0.00 0.00 0.00 32.46 32.08 3i4c n ARG 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i4c n ARG 143 N -1.46 1.38 -3.03 -0.14 5.12 -1.26 -5.04 116.66 112.23 3i4c n ARG 143 Ca 0.00 0.02 -0.31 0.00 -1.93 0.00 0.00 57.85 55.63 3i4c n ARG 143 Cb 0.28 -1.10 -0.04 0.00 -1.16 0.00 0.00 32.46 30.44 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 -4.91 3.94 0.45 0.55 1.43 -1.26 -5.10 118.68 113.79 3i4c s LEU 144 Ca -0.05 1.10 0.08 0.00 -1.03 0.00 0.00 54.13 54.23 3i4c s LEU 144 Cb 0.02 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.32 3i4c s LEU 144 CO 0.14 -0.30 0.62 0.54 0.23 0.00 0.00 176.35 177.57 3i4c s ASN 145 N -2.88 5.54 0.23 2.29 2.20 -1.26 -4.86 114.94 116.19 3i4c s ASN 145 Ca 0.51 -0.51 -0.07 0.00 -0.94 0.00 0.00 52.86 51.84 3i4c s ASN 145 Cb -0.10 -0.46 0.36 0.00 -2.00 0.00 0.00 41.25 39.06 3i4c s ASN 145 CO 0.27 -0.88 1.73 0.00 -2.94 0.00 0.00 177.10 175.28 3i4c h ALA 146 N 0.54 0.91 -0.69 3.54 0.00 -1.93 -2.01 119.26 119.62 3i4c h ALA 146 Ca -0.38 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i4c h ALA 146 Cb 1.28 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3i4c h ALA 146 CO 0.44 -0.20 0.42 0.28 0.00 0.00 0.00 179.25 180.19 3i4c h VAL 147 N 0.42 1.20 -0.05 0.00 2.07 -1.92 -1.58 116.25 116.38 3i4c h VAL 147 Ca 0.36 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 3i4c h VAL 147 Cb 0.50 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3i4c h VAL 147 CO -0.36 0.20 -0.62 -0.33 0.02 0.00 0.00 177.57 176.48 3i4c h GLU 148 N 0.94 0.20 0.23 1.57 5.08 -1.85 -3.33 114.58 117.41 3i4c h GLU 148 Ca 0.25 -0.14 -0.32 0.00 -1.00 0.00 0.00 59.36 58.15 3i4c h GLU 148 Cb -0.03 0.02 0.04 0.00 0.50 0.00 0.00 28.75 29.27 3i4c h GLU 148 CO -0.05 0.75 -1.38 0.00 -1.00 0.00 0.00 179.01 177.33 3i4c h ALA 149 N 1.22 -0.15 -0.81 3.43 0.00 -1.16 -3.39 119.26 118.40 3i4c h ALA 149 Ca -0.01 -0.83 0.15 0.00 0.00 0.00 0.00 54.91 54.23 3i4c h ALA 149 Cb 1.12 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 3i4c h ALA 149 CO 0.09 0.65 -0.25 0.00 0.00 0.00 0.00 179.25 179.74 3i4c h ALA 150 N 0.15 0.41 0.00 0.00 0.00 -1.40 0.85 119.26 119.27 3i4c h ALA 150 Ca -0.24 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3i4c h ALA 150 Cb 2.09 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 20.57 3i4c h ALA 150 CO 0.26 -0.47 -0.12 -1.35 0.00 0.00 0.00 179.25 177.57 3i4c h PRO 151 N -0.03 0.00 0.00 0.00 0.11 -1.77 -2.40 132.00 127.91 3i4c h PRO 151 Ca 0.37 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 3i4c h PRO 151 Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 3i4c h PRO 151 CO -0.84 0.12 -0.10 -0.07 -0.21 0.00 0.00 178.00 176.91 3i4c h LEU 152 N 0.00 0.00 -0.00 2.35 4.07 -1.03 -0.91 115.31 119.78 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 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3i4c h LEU 152 CO 0.02 0.10 0.00 0.35 -1.08 0.00 0.00 178.44 177.82 3i4c n THR 153 N -3.93 0.90 0.00 0.22 -2.24 -0.90 -1.60 114.28 106.73 3i4c n THR 153 Ca -0.02 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3i4c n THR 153 Cb 0.19 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 0.45 0.10 0.00 0.02 -1.39 -1.47 113.55 111.26 3i4c h SER 155 Ca 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3i4c h SER 155 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3i4c h SER 155 CO 0.00 0.57 -0.05 1.23 -1.14 0.00 0.00 176.83 177.44 3i4c h GLY 156 N 0.86 -0.14 1.00 -3.77 0.00 -1.44 -0.02 103.07 99.56 3i4c h GLY 156 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3i4c h GLY 156 CO 0.02 -0.05 0.16 -2.22 0.00 0.00 0.00 176.54 174.45 3i4c h ILE 157 N -0.35 1.06 0.17 2.60 2.04 -1.19 -0.83 117.51 121.01 3i4c h ILE 157 Ca -0.01 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3i4c h ILE 157 Cb 0.29 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3i4c h ILE 157 CO 0.02 0.06 -0.19 0.74 0.00 0.00 0.00 178.15 178.78 3i4c h THR 158 N 0.32 0.57 -0.61 -0.27 2.02 -1.21 -1.83 112.91 111.90 3i4c h THR 158 Ca 0.09 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 3i4c h THR 158 Cb -0.04 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3i4c h THR 158 CO -0.02 0.00 0.11 0.74 0.37 0.00 0.00 175.52 176.72 3i4c h THR 159 N -0.41 1.25 -0.62 3.16 2.02 -0.93 -1.45 112.91 115.94 3i4c h THR 159 Ca 0.01 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 3i4c h THR 159 Cb 0.39 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3i4c h THR 159 CO -0.06 0.36 0.36 0.22 0.37 0.00 0.00 175.52 176.77 3i4c h TYR 160 N 0.93 0.82 -0.38 3.16 5.03 -0.99 -1.06 116.97 124.49 3i4c h TYR 160 Ca 0.19 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.35 3i4c h TYR 160 Cb 0.39 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 3i4c h TYR 160 CO 0.03 0.57 -0.32 -0.09 -1.32 0.00 0.00 178.16 177.03 3i4c h ARG 161 N 0.84 0.86 -0.81 1.82 2.43 -1.15 -2.37 114.38 116.00 3i4c h ARG 161 Ca 0.22 -0.41 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3i4c h ARG 161 Cb -0.00 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3i4c h ARG 161 CO -0.04 1.05 0.53 0.00 -1.51 0.00 0.00 179.97 180.01 3i4c h ALA 162 N 0.91 1.04 -0.54 2.80 0.00 -0.86 -1.14 119.26 121.46 3i4c h ALA 162 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3i4c h ALA 162 Cb 0.88 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3i4c h ALA 162 CO 0.08 0.42 0.15 0.28 0.00 0.00 0.00 179.25 180.18 3i4c h VAL 163 N 1.08 1.24 -0.89 0.00 2.07 -1.05 -2.63 116.25 116.06 3i4c h VAL 163 Ca 0.30 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3i4c h VAL 163 Cb -0.10 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3i4c h VAL 163 CO -0.07 0.31 0.59 0.03 0.02 0.00 0.00 177.57 178.44 3i4c h ARG 164 N 0.76 1.14 0.00 1.57 3.08 -0.88 -1.18 114.38 118.87 3i4c h ARG 164 Ca 0.17 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3i4c h ARG 164 Cb 0.31 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3i4c h ARG 164 CO -0.00 0.75 0.00 0.87 -1.07 0.00 0.00 179.97 180.52 3i4c h LYS 165 N 1.17 0.00 0.00 0.04 1.57 -0.91 -1.92 116.57 116.53 3i4c h LYS 165 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3i4c h LYS 165 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3i4c h LYS 165 CO -0.09 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.79 3i4c n ALA 166 N -1.89 1.82 -3.79 3.86 0.00 -0.44 -4.92 120.51 115.15 3i4c n ALA 166 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 3i4c n ALA 166 Cb 0.20 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.08 -2.03 -4.88 0.00 7.64 -0.72 -4.79 113.62 106.76 3i4c n SER 167 Ca 0.03 -0.95 -0.30 0.00 1.01 0.00 0.00 58.87 58.67 3i4c n SER 167 Cb 0.27 -3.50 -0.01 0.00 -1.01 0.00 0.00 64.21 59.96 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 -6.71 3.54 0.24 -3.43 1.43 -1.26 -5.07 118.68 107.42 3i4c s LEU 168 Ca 0.14 1.23 -0.22 0.00 -1.03 0.00 0.00 54.13 54.25 3i4c s LEU 168 Cb -0.05 -4.20 0.04 0.00 0.03 0.00 0.00 46.19 42.01 3i4c s LEU 168 CO 0.85 -0.63 0.71 1.51 0.23 0.00 0.00 176.35 179.02 3i4c s ASP 169 N -3.75 -0.33 0.59 2.29 1.47 -1.26 -4.95 116.67 110.72 3i4c s ASP 169 Ca 0.53 -0.44 0.30 0.00 1.18 0.00 0.00 52.55 54.11 3i4c s ASP 169 Cb -0.10 0.67 1.61 0.00 -0.34 0.00 0.00 42.92 44.76 3i4c s ASP 169 CO 0.43 -1.21 1.89 -0.65 0.68 0.00 0.00 175.17 176.31 3i4c h PRO 170 N 2.00 0.00 -0.01 2.11 0.11 -1.72 -0.79 132.00 133.69 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i4c h PRO 170 CO 0.27 0.00 -0.16 0.25 -0.21 0.00 0.00 178.00 178.15 3i4c n THR 171 N -2.74 0.00 -3.90 -1.15 -2.24 -1.26 -4.71 114.28 98.27 3i4c n THR 171 Ca -0.02 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 3i4c n THR 171 Cb 0.28 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.32 2.60 -0.05 -0.78 1.02 -0.30 -5.03 119.74 114.89 3i4c s LYS 172 Ca 0.29 -1.38 0.04 0.00 0.02 0.00 0.00 55.97 54.94 3i4c s LYS 172 Cb 0.20 -2.37 -0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3i4c s LYS 172 CO 0.45 0.09 -0.16 0.99 -0.92 0.00 0.00 175.35 175.81 3i4c s THR 173 N -2.35 1.36 -0.03 2.17 2.01 -1.26 -1.38 115.64 116.15 3i4c s THR 173 Ca 0.40 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.77 3i4c s THR 173 Cb -0.05 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3i4c s THR 173 CO 0.25 0.40 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.24 3i4c s LEU 174 N 0.14 2.91 -0.17 4.42 2.96 0.56 -1.23 118.68 128.29 3i4c s LEU 174 Ca -0.06 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3i4c s LEU 174 Cb -0.12 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3i4c s LEU 174 CO 0.02 0.33 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.09 3i4c s LEU 175 N -0.96 2.96 -0.24 -0.68 2.96 -0.33 -0.21 118.68 122.18 3i4c s LEU 175 Ca 0.13 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3i4c s LEU 175 Cb -0.11 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3i4c s LEU 175 CO 0.03 0.11 0.00 -0.69 -1.32 0.00 0.00 176.35 174.48 3i4c s VAL 176 N 0.71 3.70 0.23 1.68 1.01 -0.16 -0.88 120.40 126.69 3i4c s VAL 176 Ca -0.03 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 3i4c s VAL 176 Cb -0.15 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 3i4c s VAL 176 CO 0.02 0.36 0.82 -0.69 0.00 0.00 0.00 175.10 175.61 3i4c s VAL 177 N 1.52 4.36 -1.37 2.92 1.01 -0.74 -1.80 120.40 126.29 3i4c s VAL 177 Ca 0.06 1.65 -0.08 0.00 0.00 0.00 0.00 61.98 63.61 3i4c s VAL 177 Cb -0.15 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.21 3i4c s VAL 177 CO -0.01 0.34 1.06 0.61 0.00 0.00 0.00 175.10 177.10 3i4c n GLY 178 N 1.08 -0.48 0.24 4.51 0.00 -0.04 -4.55 105.19 105.95 3i4c n GLY 178 Ca -0.02 0.20 0.16 0.00 0.00 0.00 0.00 46.02 46.36 3i4c n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c h ALA 179 N 0.97 1.03 -0.02 4.61 0.00 -1.02 -2.00 119.26 122.85 3i4c h ALA 179 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3i4c h ALA 179 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3i4c h ALA 179 CO 0.58 -0.03 -0.18 0.41 0.00 0.00 0.00 179.25 180.03 3i4c n GLY 180 N -1.21 0.00 3.96 0.00 0.00 -1.26 -2.40 105.19 104.29 3i4c n GLY 180 Ca -0.02 -0.52 -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 -2.26 1.79 0.10 -0.02 0.00 -0.75 -4.74 107.32 101.44 3i4c s GLY 181 Ca 0.28 -1.44 -0.26 0.00 0.00 0.00 0.00 44.72 43.30 3i4c s GLY 181 CO 0.44 -0.71 1.67 -1.33 0.00 0.00 0.00 173.10 173.17 3i4c h GLY 182 N -1.34 -0.32 1.31 0.20 0.00 -1.93 0.08 103.07 101.07 3i4c h GLY 182 Ca -0.41 0.20 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3i4c h GLY 182 CO 0.36 -0.17 -0.34 1.41 0.00 0.00 0.00 176.54 177.80 3i4c h LEU 183 N -0.34 0.81 -0.03 3.11 4.07 -1.94 -2.94 115.31 118.03 3i4c h LEU 183 Ca 0.02 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.64 3i4c h LEU 183 Cb 0.35 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 3i4c h LEU 183 CO -0.08 1.07 0.02 1.23 -1.08 0.00 0.00 178.44 179.60 3i4c h GLY 184 N 0.93 0.05 1.34 0.83 0.00 -1.63 -1.11 103.07 103.49 3i4c h GLY 184 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3i4c h GLY 184 CO 0.08 0.02 0.16 -0.91 0.00 0.00 0.00 176.54 175.89 3i4c h THR 185 N -0.02 1.22 -0.44 4.70 1.35 -0.61 -0.93 112.91 118.17 3i4c h THR 185 Ca 0.01 -0.77 -0.08 0.00 -0.55 0.00 0.00 66.41 65.03 3i4c h THR 185 Cb 0.07 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 3i4c h THR 185 CO -0.00 0.29 -0.05 -0.03 -0.25 0.00 0.00 175.52 175.48 3i4c h MET 186 N 0.81 0.75 -0.44 4.72 -1.53 -1.32 -0.31 114.93 117.61 3i4c h MET 186 Ca 0.18 -0.21 -0.09 0.00 -3.44 0.00 0.00 59.70 56.14 3i4c h MET 186 Cb 0.26 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 3i4c h MET 186 CO -0.01 0.79 -0.07 0.00 0.14 0.00 0.00 176.91 177.76 3i4c h ALA 187 N 1.26 0.60 -0.29 0.39 0.00 -0.52 -0.46 119.26 120.23 3i4c h ALA 187 Ca 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3i4c h ALA 187 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i4c h ALA 187 CO 0.03 0.46 0.13 0.28 0.00 0.00 0.00 179.25 180.15 3i4c h VAL 188 N 0.66 1.17 -0.34 0.00 2.07 -0.87 -0.24 116.25 118.71 3i4c h VAL 188 Ca 0.12 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3i4c h VAL 188 Cb 0.60 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3i4c h VAL 188 CO 0.04 0.17 0.20 1.56 0.02 0.00 0.00 177.57 179.56 3i4c h GLN 189 N 0.33 0.46 -0.10 1.57 4.20 -0.92 0.41 115.11 121.07 3i4c h GLN 189 Ca 0.10 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3i4c h GLN 189 Cb 0.15 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3i4c h GLN 189 CO -0.01 0.36 0.05 0.82 -0.67 0.00 0.00 178.83 179.38 3i4c h ILE 190 N 0.43 1.10 -1.01 2.54 2.04 -0.99 -0.35 117.51 121.27 3i4c h ILE 190 Ca 0.12 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.73 3i4c h ILE 190 Cb 0.02 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 3i4c h ILE 190 CO -0.02 0.09 0.66 0.00 0.00 0.00 0.00 178.15 178.88 3i4c h ALA 191 N 0.94 1.33 -0.04 1.87 0.00 -0.86 0.10 119.26 122.61 3i4c h ALA 191 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3i4c h ALA 191 Cb 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i4c h ALA 191 CO -0.00 0.56 -0.59 -0.22 0.00 0.00 0.00 179.25 179.00 3i4c h LYS 192 N 1.28 0.12 0.00 0.00 3.64 -0.67 -2.39 116.57 118.55 3i4c h LYS 192 Ca 0.40 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3i4c h LYS 192 Cb -0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3i4c h LYS 192 CO -0.12 0.68 -0.62 0.00 -2.27 0.00 0.00 179.45 177.11 3i4c h ALA 193 N 1.30 0.72 -0.00 5.00 0.00 -0.23 -3.40 119.26 122.65 3i4c h ALA 193 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i4c h ALA 193 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i4c h ALA 193 CO 0.08 0.42 -0.02 1.33 0.00 0.00 0.00 179.25 181.07 3i4c n VAL 194 N -3.04 0.00 0.00 0.00 0.24 0.27 -4.90 118.33 110.90 3i4c n VAL 194 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3i4c n VAL 194 Cb 0.67 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 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 -0.09 3.07 0.00 -1.34 3.41 -0.90 -5.01 113.62 112.75 3i4c n SER 195 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3i4c n SER 195 Cb 0.05 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 1.87 0.84 3.80 5.00 0.00 -1.26 -3.27 105.19 112.17 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 -3.35 2.70 0.16 4.61 0.00 -1.25 -4.22 121.76 120.40 3i4c s ALA 197 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 3i4c s ALA 197 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 3i4c s ALA 197 CO 0.00 -0.94 0.97 0.99 0.00 0.00 0.00 175.76 176.78 3i4c s THR 198 N -2.55 4.29 -0.11 0.00 2.01 -0.48 -4.89 115.64 113.91 3i4c s THR 198 Ca 0.63 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.67 3i4c s THR 198 Cb -0.16 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 3i4c s THR 198 CO 0.41 0.37 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.90 3i4c s ILE 199 N -0.40 2.64 -0.20 1.82 1.01 -1.26 -0.32 121.20 124.49 3i4c s ILE 199 Ca 0.45 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3i4c s ILE 199 Cb -0.25 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.16 3i4c s ILE 199 CO 0.31 0.54 -0.11 -0.63 0.00 0.00 0.00 174.94 175.06 3i4c s ILE 200 N 0.22 2.82 -0.14 2.92 1.01 0.71 -1.03 121.20 127.70 3i4c s ILE 200 Ca -0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 3i4c s ILE 200 Cb -0.16 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 3i4c s ILE 200 CO 0.06 0.48 -0.02 -0.83 0.00 0.00 0.00 174.94 174.63 3i4c s GLY 201 N 1.33 1.77 0.00 6.18 0.00 0.19 -0.98 107.32 115.80 3i4c s GLY 201 Ca 0.04 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 44.03 3i4c s GLY 201 CO -0.07 -0.17 -0.24 0.54 0.00 0.00 0.00 173.10 173.17 3i4c s VAL 202 N 0.09 1.90 0.36 1.40 0.11 -0.75 -1.01 120.40 122.50 3i4c s VAL 202 Ca 0.01 -1.12 -0.09 0.00 -2.93 0.00 0.00 61.98 57.85 3i4c s VAL 202 Cb -0.13 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.15 3i4c s VAL 202 CO 0.02 0.46 0.63 -0.67 -3.33 0.00 0.00 175.10 172.21 3i4c n ASP 203 N 2.26 -1.80 -0.25 3.54 -0.08 -0.84 -0.79 116.55 118.59 3i4c n ASP 203 Ca -0.16 -2.66 0.04 0.00 -1.51 0.00 0.00 54.79 50.50 3i4c n ASP 203 Cb 0.52 3.12 0.09 0.00 2.34 0.00 0.00 41.12 47.19 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 -0.53 1.28 -3.95 5.18 0.24 -1.26 -0.63 118.33 118.66 3i4c n VAL 204 Ca -0.04 -1.31 -0.10 0.00 -2.04 0.00 0.00 64.34 60.85 3i4c n VAL 204 Cb 0.57 0.30 -0.12 0.00 -1.47 0.00 0.00 33.84 33.12 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 -1.51 0.23 0.20 7.34 0.52 -1.26 -4.50 118.95 119.98 3i4c s ARG 205 Ca 0.15 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 54.82 3i4c s ARG 205 Cb 0.11 0.08 0.18 0.00 0.52 0.00 0.00 34.95 35.84 3i4c s ARG 205 CO 0.05 -0.04 1.82 0.93 0.02 0.00 0.00 175.30 178.09 3i4c h GLU 206 N 5.05 0.70 -0.71 3.54 5.08 -1.98 0.40 114.58 126.66 3i4c h GLU 206 Ca -0.30 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 3i4c h GLU 206 Cb 1.21 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 3i4c h GLU 206 CO 0.44 0.46 0.43 0.93 -1.00 0.00 0.00 179.01 180.26 3i4c h GLU 207 N 0.72 0.78 -0.05 2.33 3.07 -1.98 0.29 114.58 119.73 3i4c h GLU 207 Ca 0.26 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 3i4c h GLU 207 Cb 0.08 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3i4c h GLU 207 CO -0.13 0.51 -0.02 0.00 -1.40 0.00 0.00 179.01 177.97 3i4c h ALA 208 N 1.34 0.07 -0.62 3.43 0.00 -1.65 -1.19 119.26 120.64 3i4c h ALA 208 Ca 0.30 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3i4c h ALA 208 Cb 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3i4c h ALA 208 CO -0.15 -0.19 0.41 0.28 0.00 0.00 0.00 179.25 179.60 3i4c h VAL 209 N -0.29 1.00 -0.42 0.00 2.07 0.04 0.49 116.25 119.15 3i4c h VAL 209 Ca 0.01 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3i4c h VAL 209 Cb 0.46 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3i4c h VAL 209 CO 0.01 0.11 -0.10 -0.08 0.02 0.00 0.00 177.57 177.53 3i4c h GLU 210 N 0.61 0.82 -0.43 1.57 4.57 -0.17 -1.82 114.58 119.73 3i4c h GLU 210 Ca 0.27 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 3i4c h GLU 210 Cb 0.27 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3i4c h GLU 210 CO -0.08 0.93 0.01 0.00 -1.18 0.00 0.00 179.01 178.69 3i4c h ALA 211 N 0.86 1.22 -0.57 2.92 0.00 0.13 -1.50 119.26 122.31 3i4c h ALA 211 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i4c h ALA 211 Cb 0.63 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3i4c h ALA 211 CO 0.04 0.52 0.33 0.00 0.00 0.00 0.00 179.25 180.14 3i4c h ALA 212 N 1.36 0.73 -0.02 0.00 0.00 -0.66 -0.77 119.26 119.90 3i4c h ALA 212 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i4c h ALA 212 Cb 0.39 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i4c h ALA 212 CO 0.01 0.23 0.01 0.87 0.00 0.00 0.00 179.25 180.37 3i4c h LYS 213 N 0.77 0.03 0.00 0.00 1.57 -0.82 -2.24 116.57 115.89 3i4c h LYS 213 Ca 0.20 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3i4c h LYS 213 Cb 0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i4c h LYS 213 CO -0.04 0.07 -0.03 0.00 -0.57 0.00 0.00 179.45 178.89 3i4c h ARG 214 N -0.02 0.00 0.00 3.15 3.08 -1.00 -0.86 114.38 118.72 3i4c h ARG 214 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3i4c h ARG 214 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3i4c h ARG 214 CO -0.00 0.03 -0.12 0.00 -1.07 0.00 0.00 179.97 178.81 3i4c h ALA 215 N 1.97 0.96 0.00 0.04 0.00 -0.54 -3.47 119.26 118.22 3i4c h ALA 215 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i4c h ALA 215 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i4c h ALA 215 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3i4c n GLY 216 N 0.58 1.14 3.71 0.00 0.00 -0.33 -3.96 105.19 106.33 3i4c n GLY 216 Ca 0.02 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 -1.79 3.75 0.28 4.61 0.00 -1.05 -4.89 121.76 122.66 3i4c s ALA 217 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.29 3i4c s ALA 217 Cb 0.00 -3.63 0.41 0.00 0.00 0.00 0.00 23.12 19.90 3i4c s ALA 217 CO 0.00 -0.83 1.76 -0.44 0.00 0.00 0.00 175.76 176.25 3i4c h ASP 218 N 7.11 0.61 -4.63 0.00 3.32 -1.45 -3.44 116.42 117.93 3i4c h ASP 218 Ca -0.43 -0.16 -0.30 0.00 0.02 0.00 0.00 57.03 56.16 3i4c h ASP 218 Cb 1.20 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.37 3i4c h ASP 218 CO 0.91 0.75 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.13 3i4c s TYR 219 N -4.79 0.74 0.05 4.55 2.02 -0.72 -5.03 117.35 114.17 3i4c s TYR 219 Ca -0.08 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 3i4c s TYR 219 Cb 0.14 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 41.24 3i4c s TYR 219 CO 0.80 -0.06 -0.07 0.14 -1.57 0.00 0.00 175.55 174.79 3i4c s VAL 220 N -1.22 0.48 -0.03 0.71 -7.23 -1.26 -0.64 120.40 111.21 3i4c s VAL 220 Ca -0.07 -1.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 3i4c s VAL 220 Cb -0.09 -0.75 0.01 0.00 0.56 0.00 0.00 36.38 36.11 3i4c s VAL 220 CO 0.01 -0.50 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.63 3i4c s ILE 221 N -1.84 0.42 -0.59 -0.62 1.01 -0.18 -4.93 121.20 114.46 3i4c s ILE 221 Ca -0.07 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 3i4c s ILE 221 Cb -0.07 -0.43 0.14 0.00 0.01 0.00 0.00 42.46 42.11 3i4c s ILE 221 CO -0.01 0.17 0.58 0.21 0.00 0.00 0.00 174.94 175.89 3i4c s ASN 222 N 0.59 6.27 0.33 3.58 3.84 -1.26 -1.98 114.94 126.32 3i4c s ASN 222 Ca -0.07 -1.84 0.21 0.00 0.21 0.00 0.00 52.86 51.37 3i4c s ASN 222 Cb -0.10 -2.23 1.14 0.00 -0.55 0.00 0.00 41.25 39.51 3i4c s ASN 222 CO -0.00 -0.88 1.63 0.00 -2.79 0.00 0.00 177.10 175.06 3i4c n ALA 223 N 5.32 0.98 0.18 1.71 0.00 0.20 -0.53 120.51 128.37 3i4c n ALA 223 Ca -0.09 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.66 3i4c n ALA 223 Cb 0.41 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.79 -3.36 113.55 108.42 3i4c h SER 224 Ca 0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 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 0.00 -1.39 0.23 -1.14 0.00 0.00 176.83 174.53 3i4c n MET 225 N -2.85 0.32 -4.20 3.45 2.81 0.03 -5.05 117.12 111.63 3i4c n MET 225 Ca 0.02 -0.08 -0.13 0.00 -1.81 0.00 0.00 57.70 55.70 3i4c n MET 225 Cb 0.54 -1.20 -0.10 0.00 -0.71 0.00 0.00 33.22 31.74 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 -2.58 0.92 -0.51 0.03 -0.21 0.31 -5.05 119.66 112.56 3i4c s GLN 226 Ca -0.03 -1.30 -0.28 0.00 0.02 0.00 0.00 55.36 53.77 3i4c s GLN 226 Cb 0.05 -0.49 0.03 0.00 1.00 0.00 0.00 33.01 33.60 3i4c s GLN 226 CO 0.35 0.06 1.10 0.34 -2.12 0.00 0.00 175.29 175.01 3i4c s ASP 227 N -2.83 6.53 0.21 5.90 3.68 -1.26 -4.31 116.67 124.58 3i4c s ASP 227 Ca 0.11 0.22 -0.09 0.00 2.13 0.00 0.00 52.55 54.92 3i4c s ASP 227 Cb 0.01 -2.52 0.28 0.00 -1.45 0.00 0.00 42.92 39.23 3i4c s ASP 227 CO -0.01 -1.28 1.78 1.55 0.13 0.00 0.00 175.17 177.34 3i4c h PRO 228 N 9.30 0.54 -0.73 4.34 0.13 -1.90 -1.08 132.00 142.60 3i4c h PRO 228 Ca -0.24 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3i4c h PRO 228 Cb 1.06 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 3i4c h PRO 228 CO 1.12 0.36 0.28 -0.07 -0.23 0.00 0.00 178.00 179.46 3i4c h LEU 229 N 0.56 1.00 -0.20 1.56 3.38 -1.97 -0.03 115.31 119.61 3i4c h LEU 229 Ca 0.31 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3i4c h LEU 229 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3i4c h LEU 229 CO -0.25 0.90 0.02 0.00 0.09 0.00 0.00 178.44 179.20 3i4c h ALA 230 N 1.24 0.26 -0.65 1.53 0.00 -1.84 -1.92 119.26 117.89 3i4c h ALA 230 Ca 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3i4c h ALA 230 Cb 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3i4c h ALA 230 CO -0.02 -0.05 0.22 0.93 0.00 0.00 0.00 179.25 180.33 3i4c h GLU 231 N 0.11 1.00 -0.66 0.00 4.39 -0.99 -1.34 114.58 117.10 3i4c h GLU 231 Ca 0.06 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.57 3i4c h GLU 231 Cb 0.35 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3i4c h GLU 231 CO 0.01 0.87 0.42 0.82 -1.16 0.00 0.00 179.01 179.96 3i4c h ILE 232 N 0.94 1.12 -0.26 3.13 2.04 -0.92 0.12 117.51 123.67 3i4c h ILE 232 Ca 0.21 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3i4c h ILE 232 Cb 0.27 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3i4c h ILE 232 CO -0.01 0.15 -0.17 0.03 0.00 0.00 0.00 178.15 178.15 3i4c h ARG 233 N 0.84 0.46 0.39 2.37 2.47 -1.02 -0.88 114.38 119.00 3i4c h ARG 233 Ca 0.25 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 3i4c h ARG 233 Cb -0.03 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3i4c h ARG 233 CO -0.08 0.62 -0.19 -0.09 0.56 0.00 0.00 179.97 180.79 3i4c h ARG 234 N 0.42 -0.51 -0.64 0.04 2.43 -0.15 1.04 114.38 117.01 3i4c h ARG 234 Ca 0.07 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3i4c h ARG 234 Cb 0.55 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 3i4c h ARG 234 CO 0.04 -0.23 0.30 0.82 -1.51 0.00 0.00 179.97 179.39 3i4c h ILE 235 N -0.75 0.86 -0.34 1.20 2.04 -0.68 -1.56 117.51 118.28 3i4c h ILE 235 Ca -0.05 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3i4c h ILE 235 Cb 0.52 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3i4c h ILE 235 CO 0.09 0.10 0.00 0.35 0.00 0.00 0.00 178.15 178.69 3i4c n THR 236 N -4.90 0.45 -3.68 -0.27 -2.24 -0.35 -4.93 114.28 98.36 3i4c n THR 236 Ca 0.09 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 3i4c n THR 236 Cb 0.24 0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -5.44 -0.38 -0.78 1.02 -0.12 -2.14 120.64 113.36 3i4c n GLU 237 Ca 0.13 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 3i4c n GLU 237 Cb 0.32 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.37 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 -3.04 0.00 0.02 1.62 7.64 0.34 -4.87 113.62 115.33 3i4c n SER 238 Ca -0.24 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.50 3i4c n SER 238 Cb 0.65 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.36 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 1.87 0.61 0.00 1.43 3.64 -1.66 -3.49 116.57 118.95 3i4c h LYS 239 Ca 0.00 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3i4c h LYS 239 Cb 0.00 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i4c h LYS 239 CO 0.00 1.15 0.00 0.41 -2.27 0.00 0.00 179.45 178.74 3i4c n GLY 240 N 0.73 0.25 3.89 5.01 0.00 -1.26 -3.96 105.19 109.85 3i4c n GLY 240 Ca -0.07 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.35 5.16 -0.76 1.61 -7.23 0.25 -4.44 120.40 113.64 3i4c s VAL 241 Ca 0.00 0.10 0.25 0.00 -1.81 0.00 0.00 61.98 60.53 3i4c s VAL 241 Cb 0.00 -3.62 0.25 0.00 0.56 0.00 0.00 36.38 33.57 3i4c s VAL 241 CO 0.00 0.09 1.77 0.47 -0.31 0.00 0.00 175.10 177.11 3i4c n ASP 242 N 0.25 0.53 -3.57 4.85 8.00 -0.36 -0.00 116.55 126.24 3i4c n ASP 242 Ca -0.04 0.57 -0.13 0.00 0.71 0.00 0.00 54.79 55.91 3i4c n ASP 242 Cb 0.52 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 3i4c n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4c s ALA 243 N -3.12 -1.88 -0.04 2.24 0.00 -1.20 -1.60 121.76 116.17 3i4c s ALA 243 Ca 0.10 1.55 0.04 0.00 0.00 0.00 0.00 51.96 53.64 3i4c s ALA 243 Cb 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3i4c s ALA 243 CO 0.51 -0.32 -0.15 0.08 0.00 0.00 0.00 175.76 175.88 3i4c s VAL 244 N -0.93 1.26 -0.27 0.00 1.01 -0.26 -1.19 120.40 120.02 3i4c s VAL 244 Ca -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3i4c s VAL 244 Cb -0.01 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.30 3i4c s VAL 244 CO 0.03 0.37 -0.02 -0.63 0.00 0.00 0.00 175.10 174.85 3i4c s ILE 245 N 0.15 3.10 -0.62 2.22 1.01 -0.06 -0.04 121.20 126.96 3i4c s ILE 245 Ca -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.54 3i4c s ILE 245 Cb -0.11 -2.61 0.16 0.00 0.01 0.00 0.00 42.46 39.90 3i4c s ILE 245 CO 0.02 0.12 0.44 -0.62 0.00 0.00 0.00 174.94 174.90 3i4c s ASP 246 N 1.34 5.25 -0.09 3.58 -1.08 0.64 -1.79 116.67 124.52 3i4c s ASP 246 Ca -0.00 -2.85 -0.24 0.00 -0.52 0.00 0.00 52.55 48.94 3i4c s ASP 246 Cb -0.17 -1.86 -0.03 0.00 -1.46 0.00 0.00 42.92 39.40 3i4c s ASP 246 CO -0.03 -0.37 0.74 -0.76 0.52 0.00 0.00 175.17 175.28 3i4c s LEU 247 N -0.05 4.28 -0.98 -1.34 1.43 -1.26 -1.54 118.68 119.21 3i4c s LEU 247 Ca 0.17 1.20 -0.04 0.00 -1.03 0.00 0.00 54.13 54.43 3i4c s LEU 247 Cb -0.20 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3i4c s LEU 247 CO -0.03 -0.19 0.85 -3.20 0.23 0.00 0.00 176.35 174.00 3i4c n ASN 248 N 4.17 -4.93 -4.59 2.29 4.05 0.13 -4.94 115.26 111.43 3i4c n ASN 248 Ca 0.00 -0.61 -0.30 0.00 0.45 0.00 0.00 54.58 54.12 3i4c n ASN 248 Cb 0.51 -4.71 0.21 0.00 1.23 0.00 0.00 39.78 37.01 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 -3.34 1.46 0.27 1.20 -0.85 -1.19 -5.05 117.35 109.85 3i4c s TYR 249 Ca 0.29 1.55 0.01 0.00 -0.52 0.00 0.00 57.07 58.40 3i4c s TYR 249 Cb -0.04 -3.24 -0.03 0.00 0.38 0.00 0.00 41.96 39.03 3i4c s TYR 249 CO 0.66 -3.32 0.27 -1.54 -1.52 0.00 0.00 175.55 170.10 3i4c s SER 250 N -2.56 0.79 0.31 -0.18 1.04 -1.26 -4.67 113.70 107.16 3i4c s SER 250 Ca 0.68 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3i4c s SER 250 Cb -0.24 0.51 0.52 0.00 0.10 0.00 0.00 66.02 66.91 3i4c s SER 250 CO 0.61 -1.02 1.93 -0.08 0.98 0.00 0.00 173.24 175.67 3i4c h GLU 251 N 2.34 1.00 0.04 4.02 4.81 -1.94 -2.35 114.58 122.49 3i4c h GLU 251 Ca -0.30 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3i4c h GLU 251 Cb 1.24 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3i4c h GLU 251 CO 0.43 0.66 -0.02 0.87 -0.73 0.00 0.00 179.01 180.23 3i4c h LYS 252 N 1.03 -0.05 -0.75 1.92 1.57 -1.99 -2.94 116.57 115.37 3i4c h LYS 252 Ca 0.36 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.18 3i4c h LYS 252 Cb 0.10 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3i4c h LYS 252 CO -0.12 0.40 0.46 1.79 -0.57 0.00 0.00 179.45 181.41 3i4c h THR 253 N -0.51 1.05 0.00 -0.16 1.35 -1.91 -1.63 112.91 111.10 3i4c h THR 253 Ca -0.00 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 65.53 3i4c h THR 253 Cb 0.47 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.00 3i4c h THR 253 CO 0.01 0.16 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.22 3i4c h LEU 254 N 0.86 0.00 0.00 3.87 3.38 -1.49 -1.62 115.31 120.32 3i4c h LEU 254 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3i4c h LEU 254 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3i4c h LEU 254 CO -0.14 0.14 -0.87 0.77 0.09 0.00 0.00 178.44 178.43 3i4c h SER 255 N 0.00 0.00 0.00 -0.43 4.64 -1.14 -3.40 113.55 113.21 3i4c h SER 255 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3i4c h SER 255 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3i4c h SER 255 CO 0.02 0.01 -0.70 0.52 -0.87 0.00 0.00 176.83 175.81 3i4c n VAL 256 N -2.68 1.18 0.28 0.95 0.31 -0.71 -4.78 118.33 112.89 3i4c n VAL 256 Ca 0.01 0.23 0.12 0.00 -0.01 0.00 0.00 64.34 64.68 3i4c n VAL 256 Cb 0.54 -2.09 0.79 0.00 -0.91 0.00 0.00 33.84 32.17 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 -0.70 0.00 -0.03 3.52 0.05 -1.56 -2.14 116.97 116.12 3i4c h TYR 257 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3i4c h TYR 257 Cb 0.70 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.44 3i4c h TYR 257 CO -0.30 0.02 0.04 -1.35 -1.05 0.00 0.00 178.16 175.53 3i4c h PRO 258 N 0.00 0.00 0.00 4.88 0.11 -1.78 0.95 132.00 136.16 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 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3i4c h PRO 258 CO 0.00 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.42 3i4c n LYS 259 N -3.65 0.18 0.00 1.05 5.02 -0.80 -2.28 118.16 117.67 3i4c n LYS 259 Ca -0.02 0.39 0.13 0.00 -2.02 0.00 0.00 58.31 56.79 3i4c n LYS 259 Cb 0.13 -1.83 0.40 0.00 -0.02 0.00 0.00 35.03 33.70 3i4c n LYS 259 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4c n ALA 260 N -1.75 2.99 -1.88 7.82 0.00 0.33 -4.93 120.51 123.08 3i4c n ALA 260 Ca 0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 3i4c n ALA 260 Cb 0.24 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.41 4.41 0.80 0.00 1.43 -0.97 -0.58 118.68 121.36 3i4c s LEU 261 Ca 0.27 2.59 -0.09 0.00 -1.03 0.00 0.00 54.13 55.86 3i4c s LEU 261 Cb 0.20 -3.63 0.12 0.00 0.03 0.00 0.00 46.19 42.91 3i4c s LEU 261 CO 0.49 -0.59 1.12 0.00 0.23 0.00 0.00 176.35 177.60 3i4c s ALA 262 N -0.32 2.93 0.41 4.21 0.00 0.99 -4.65 121.76 125.35 3i4c s ALA 262 Ca 0.55 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 3i4c s ALA 262 Cb -0.39 -2.56 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 3i4c s ALA 262 CO 0.44 -1.74 1.39 0.15 0.00 0.00 0.00 175.76 176.01 3i4c s LYS 263 N -5.46 3.90 0.00 0.00 1.02 -1.26 -1.01 119.74 116.93 3i4c s LYS 263 Ca 0.66 2.35 0.00 0.00 0.02 0.00 0.00 55.97 59.00 3i4c s LYS 263 Cb -0.07 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 3i4c s LYS 263 CO 0.48 -0.62 0.00 1.04 -0.92 0.00 0.00 175.35 175.33 3i4c n GLN 264 N 0.10 -1.07 -2.11 1.68 6.02 0.25 -4.95 117.38 117.29 3i4c n GLN 264 Ca 0.03 0.27 -0.37 0.00 -0.01 0.00 0.00 57.00 56.92 3i4c n GLN 264 Cb 0.42 -4.11 0.01 0.00 1.02 0.00 0.00 30.24 27.58 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 -0.18 1.08 0.00 -0.18 -4.78 107.32 104.07 3i4c s GLY 265 Ca 0.00 1.06 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 3i4c s GLY 265 CO 0.00 1.53 -0.08 0.54 0.00 0.00 0.00 173.10 175.08 3i4c s LYS 266 N -2.79 3.37 -0.47 2.90 1.02 -0.63 -1.51 119.74 121.64 3i4c s LYS 266 Ca 0.67 -0.65 -0.16 0.00 0.02 0.00 0.00 55.97 55.84 3i4c s LYS 266 Cb -0.32 -2.84 0.06 0.00 -0.52 0.00 0.00 37.83 34.21 3i4c s LYS 266 CO 0.38 -0.03 0.41 -0.47 -0.92 0.00 0.00 175.35 174.73 3i4c s TYR 267 N 1.00 3.22 -0.44 3.18 6.14 0.11 -1.11 117.35 129.45 3i4c s TYR 267 Ca -0.01 -0.82 -0.20 0.00 0.64 0.00 0.00 57.07 56.68 3i4c s TYR 267 Cb -0.15 -3.12 0.03 0.00 0.42 0.00 0.00 41.96 39.14 3i4c s TYR 267 CO -0.01 -0.79 0.62 0.08 0.64 0.00 0.00 175.55 176.09 3i4c s VAL 268 N 1.77 4.86 -0.16 3.14 1.01 0.94 -0.57 120.40 131.39 3i4c s VAL 268 Ca 0.06 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 3i4c s VAL 268 Cb -0.23 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3i4c s VAL 268 CO 0.08 -0.60 0.12 -0.04 0.00 0.00 0.00 175.10 174.66 3i4c s MET 269 N 2.73 3.79 -0.02 2.72 1.00 -0.19 -0.26 119.30 129.06 3i4c s MET 269 Ca 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 55.69 55.71 3i4c s MET 269 Cb -0.15 -3.27 0.01 0.00 0.00 0.00 0.00 34.83 31.43 3i4c s MET 269 CO 0.18 0.52 -0.04 0.08 0.00 0.00 0.00 175.02 175.76 3i4c s VAL 270 N -0.30 0.44 -4.27 -6.03 1.01 -0.59 -1.80 120.40 108.86 3i4c s VAL 270 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3i4c s VAL 270 Cb -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3i4c s VAL 270 CO 0.01 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3i4c n GLY 271 N 3.59 0.97 0.28 4.51 0.00 -1.26 0.21 105.19 113.49 3i4c n GLY 271 Ca -0.21 -1.99 0.02 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 0.59 -4.76 0.99 4.77 -1.26 -5.00 117.00 112.33 3i4c n LEU 272 Ca 0.00 -1.27 -0.41 0.00 -0.03 0.00 0.00 56.01 54.30 3i4c n LEU 272 Cb 0.00 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3i4c n LEU 272 CO 0.00 0.30 1.11 0.12 -1.33 0.00 0.00 177.39 177.60 3i4c s PHE 273 N -0.62 2.81 -1.18 -1.77 5.36 -1.26 -4.74 117.98 116.58 3i4c s PHE 273 Ca 0.06 1.13 -0.22 0.00 -0.96 0.00 0.00 56.93 56.94 3i4c s PHE 273 Cb 0.05 -3.91 -0.07 0.00 -0.34 0.00 0.00 43.02 38.75 3i4c s PHE 273 CO 0.01 -2.78 1.91 0.41 -1.46 0.00 0.00 175.22 173.30 3i4c n GLY 274 N 1.20 1.42 3.08 13.12 0.00 -1.26 -4.86 105.19 117.89 3i4c n GLY 274 Ca 0.03 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 3i4c n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4c s ALA 275 N 9.45 0.35 0.09 4.61 0.00 -1.26 -4.98 121.76 130.02 3i4c s ALA 275 Ca 0.65 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.65 3i4c s ALA 275 Cb 0.01 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 3i4c s ALA 275 CO 0.12 -0.34 -0.05 -0.51 0.00 0.00 0.00 175.76 174.98 3i4c s ASP 276 N -2.63 4.71 -0.10 0.00 1.01 -1.26 -5.07 116.67 113.34 3i4c s ASP 276 Ca 0.02 -0.27 -0.22 0.00 0.71 0.00 0.00 52.55 52.80 3i4c s ASP 276 Cb 0.04 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 42.91 3i4c s ASP 276 CO -0.08 0.19 0.66 -0.22 0.21 0.00 0.00 175.17 175.92 3i4c s LEU 277 N -2.18 4.28 -0.13 1.23 2.96 -1.26 -4.99 118.68 118.59 3i4c s LEU 277 Ca 0.23 1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 3i4c s LEU 277 Cb -0.11 -3.00 0.04 0.00 0.50 0.00 0.00 46.19 43.62 3i4c s LEU 277 CO 0.15 -0.13 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.76 3i4c s HIS 278 N 0.96 1.11 -0.13 5.38 5.65 -1.26 -5.12 115.29 121.87 3i4c s HIS 278 Ca 0.34 -0.64 -0.14 0.00 0.25 0.00 0.00 55.06 54.88 3i4c s HIS 278 Cb -0.17 -1.04 0.04 0.00 -1.18 0.00 0.00 32.58 30.23 3i4c s HIS 278 CO 0.16 -0.49 0.38 -0.47 -0.65 0.00 0.00 174.74 173.67 3i4c s TYR 279 N 1.83 -0.40 -0.11 3.88 5.04 -1.26 -4.94 117.35 121.39 3i4c s TYR 279 Ca 0.02 0.95 -0.29 0.00 -2.44 0.00 0.00 57.07 55.31 3i4c s TYR 279 Cb -0.14 0.14 -0.05 0.00 0.35 0.00 0.00 41.96 42.26 3i4c s TYR 279 CO -0.07 -0.23 1.77 -1.58 -1.34 0.00 0.00 175.55 174.09 3i4c s HIS 280 N -0.00 1.79 0.21 4.97 5.04 -1.26 -4.92 115.29 121.12 3i4c s HIS 280 Ca -0.02 0.21 -0.13 0.00 -1.54 0.00 0.00 55.06 53.58 3i4c s HIS 280 Cb -0.03 -4.00 0.24 0.00 0.04 0.00 0.00 32.58 28.82 3i4c s HIS 280 CO 0.01 -3.93 1.64 0.00 -2.34 0.00 0.00 174.74 170.12 3i4c h ALA 281 N 10.74 0.44 -0.58 1.58 0.00 -2.00 -0.97 119.26 128.47 3i4c h ALA 281 Ca -0.40 0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.90 3i4c h ALA 281 Cb 1.19 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 3i4c h ALA 281 CO 0.97 -0.42 0.41 -1.35 0.00 0.00 0.00 179.25 178.85 3i4c h PRO 282 N 0.02 0.04 -0.26 0.00 0.11 -2.00 0.88 132.00 130.80 3i4c h PRO 282 Ca 0.30 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.27 3i4c h PRO 282 Cb 0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3i4c h PRO 282 CO -0.61 0.03 -0.40 -0.07 -0.21 0.00 0.00 178.00 176.74 3i4c h LEU 283 N 0.04 0.64 -0.14 2.35 3.38 -1.57 -1.24 115.31 118.76 3i4c h LEU 283 Ca 0.27 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i4c h LEU 283 Cb 1.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3i4c h LEU 283 CO -0.01 0.96 -0.06 0.40 0.09 0.00 0.00 178.44 179.82 3i4c h ILE 284 N 0.50 1.31 -0.29 1.22 2.04 -0.76 -2.80 117.51 118.72 3i4c h ILE 284 Ca 0.04 -1.09 -0.10 0.00 1.00 0.00 0.00 64.86 64.71 3i4c h ILE 284 Cb 0.91 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3i4c h ILE 284 CO 0.08 0.32 -0.22 0.71 0.00 0.00 0.00 178.15 179.04 3i4c h THR 285 N -0.04 1.30 -0.77 -0.27 1.35 -1.36 0.12 112.91 113.24 3i4c h THR 285 Ca 0.03 -1.36 0.02 0.00 -0.55 0.00 0.00 66.41 64.55 3i4c h THR 285 Cb 0.52 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 3i4c h THR 285 CO 0.02 0.43 0.51 -0.07 -0.25 0.00 0.00 175.52 176.16 3i4c h LEU 286 N 0.40 0.86 -1.78 3.87 3.38 -1.29 -2.99 115.31 117.75 3i4c h LEU 286 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i4c h LEU 286 Cb 0.77 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3i4c h LEU 286 CO 0.06 0.61 0.00 -1.20 0.09 0.00 0.00 178.44 178.00 3i4c n SER 287 N -4.43 2.65 -3.30 -0.43 7.64 -1.06 -4.98 113.62 109.72 3i4c n SER 287 Ca 0.09 -1.82 -0.24 0.00 1.01 0.00 0.00 58.87 57.91 3i4c n SER 287 Cb 0.06 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.10 -4.70 -1.91 1.43 1.02 -0.03 0.84 120.64 118.39 3i4c n GLU 288 Ca 0.12 0.71 -0.30 0.00 -0.02 0.00 0.00 57.16 57.67 3i4c n GLU 288 Cb 0.49 -5.54 0.04 0.00 -0.02 0.00 0.00 31.44 26.40 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 -3.12 3.79 0.00 -3.67 -4.36 -0.86 -3.68 121.20 109.30 3i4c s ILE 289 Ca 0.41 0.55 0.01 0.00 -0.26 0.00 0.00 60.65 61.36 3i4c s ILE 289 Cb -0.20 -3.57 -0.01 0.00 1.25 0.00 0.00 42.46 39.94 3i4c s ILE 289 CO 0.50 -0.75 -0.05 -1.10 0.24 0.00 0.00 174.94 173.79 3i4c s GLN 290 N -5.30 0.39 -0.19 0.37 -0.21 -0.57 -4.88 119.66 109.27 3i4c s GLN 290 Ca 0.57 -0.22 -0.03 0.00 0.02 0.00 0.00 55.36 55.70 3i4c s GLN 290 Cb -0.11 -0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.54 3i4c s GLN 290 CO 0.52 0.09 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.66 3i4c s PHE 291 N -0.23 2.94 -0.04 0.91 0.08 -1.26 0.07 117.98 120.44 3i4c s PHE 291 Ca 0.01 -0.77 0.01 0.00 0.12 0.00 0.00 56.93 56.30 3i4c s PHE 291 Cb -0.03 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3i4c s PHE 291 CO -0.00 -0.39 -0.06 0.14 -0.10 0.00 0.00 175.22 174.81 3i4c s VAL 292 N 1.05 0.62 0.25 -0.44 -7.23 0.27 -4.95 120.40 109.97 3i4c s VAL 292 Ca 0.00 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 3i4c s VAL 292 Cb -0.15 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 3i4c s VAL 292 CO -0.00 0.23 0.43 -0.83 -0.31 0.00 0.00 175.10 174.62 3i4c s GLY 293 N 0.70 1.54 0.05 2.32 0.00 -1.26 -1.02 107.32 109.65 3i4c s GLY 293 Ca -0.10 -0.93 -0.25 0.00 0.00 0.00 0.00 44.72 43.44 3i4c s GLY 293 CO 0.01 -0.90 0.59 -0.45 0.00 0.00 0.00 173.10 172.35 3i4c s SER 294 N -3.58 -0.54 0.00 1.64 0.15 -0.75 -4.92 113.70 105.70 3i4c s SER 294 Ca 0.38 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.30 3i4c s SER 294 Cb -0.10 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3i4c s SER 294 CO 0.31 -0.77 0.00 -0.11 1.20 0.00 0.00 173.24 173.87 3i4c n LEU 295 N 0.30 0.00 0.00 3.45 7.94 -1.26 -3.99 117.00 123.44 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 0.61 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.66 3i4c n LEU 295 CO 0.18 -0.31 0.00 1.33 -1.11 0.00 0.00 177.39 177.48 3i4c n VAL 296 N -2.12 0.00 -3.58 1.96 0.24 -1.26 -4.66 118.33 108.91 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 -4.27 107.32 108.98 3i4c s GLY 297 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3i4c s GLY 297 CO 0.00 0.23 0.00 1.16 0.00 0.00 0.00 173.10 174.49 3i4c n ASN 298 N -0.43 0.56 -0.08 1.64 0.23 -1.26 -4.61 115.26 111.32 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 0.39 0.00 -2.08 0.00 0.00 39.78 38.72 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 0.63 -0.39 -3.83 1.08 -1.93 -1.19 115.11 109.49 3i4c h GLN 299 Ca 0.00 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 3i4c h GLN 299 Cb 0.00 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 3i4c h GLN 299 CO 0.00 0.42 -0.02 1.03 -0.95 0.00 0.00 178.83 179.31 3i4c h SER 300 N 0.65 0.69 -0.64 1.46 0.87 -1.95 -0.04 113.55 114.59 3i4c h SER 300 Ca 0.22 -0.32 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 3i4c h SER 300 Cb 0.07 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3i4c h SER 300 CO -0.06 0.84 0.10 0.44 -0.53 0.00 0.00 176.83 177.62 3i4c h ASP 301 N 0.52 1.03 -0.12 6.23 3.32 -1.78 -1.22 116.42 124.39 3i4c h ASP 301 Ca 0.11 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3i4c h ASP 301 Cb 0.50 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3i4c h ASP 301 CO 0.02 1.02 0.04 0.15 -1.72 0.00 0.00 179.24 178.76 3i4c h PHE 302 N 1.00 0.18 -0.96 4.55 3.57 -1.03 -1.55 116.94 122.71 3i4c h PHE 302 Ca 0.20 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.73 3i4c h PHE 302 Cb 0.44 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3i4c h PHE 302 CO 0.03 0.29 0.62 1.25 -2.23 0.00 0.00 178.31 178.27 3i4c h LEU 303 N 0.02 1.02 0.25 0.59 5.85 -0.88 -1.60 115.31 120.57 3i4c h LEU 303 Ca 0.04 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i4c h LEU 303 Cb 0.19 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3i4c h LEU 303 CO -0.00 0.68 -0.12 1.23 -0.34 0.00 0.00 178.44 179.89 3i4c h GLY 304 N 1.17 -0.36 1.72 3.75 0.00 -0.91 -1.87 103.07 106.57 3i4c h GLY 304 Ca 0.39 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.79 3i4c h GLY 304 CO -0.14 -0.13 -0.14 1.19 0.00 0.00 0.00 176.54 177.32 3i4c h ILE 305 N -0.59 1.21 -0.25 2.60 6.09 -1.19 -1.90 117.51 123.48 3i4c h ILE 305 Ca -0.03 -0.93 -0.17 0.00 -1.37 0.00 0.00 64.86 62.35 3i4c h ILE 305 Cb 0.43 1.21 -0.00 0.00 0.47 0.00 0.00 36.82 38.93 3i4c h ILE 305 CO 0.06 0.29 -0.54 0.24 -3.07 0.00 0.00 178.15 175.13 3i4c h MET 306 N 0.32 0.74 -0.54 2.19 2.86 -1.28 -0.78 114.93 118.43 3i4c h MET 306 Ca 0.06 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 3i4c h MET 306 Cb 0.45 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3i4c h MET 306 CO 0.03 1.09 0.27 0.00 1.06 0.00 0.00 176.91 179.35 3i4c h ARG 307 N 0.57 0.78 0.01 1.72 2.47 -1.05 0.16 114.38 119.04 3i4c h ARG 307 Ca 0.01 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3i4c h ARG 307 Cb 1.12 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 3i4c h ARG 307 CO 0.11 0.64 -0.01 -0.07 0.56 0.00 0.00 179.97 181.20 3i4c h LEU 308 N 0.73 -0.01 -0.44 3.04 3.38 -1.23 -2.31 115.31 118.47 3i4c h LEU 308 Ca 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3i4c h LEU 308 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3i4c h LEU 308 CO -0.02 0.17 0.12 0.00 0.09 0.00 0.00 178.44 178.79 3i4c h ALA 309 N 0.79 0.57 0.00 1.53 0.00 -0.99 -0.11 119.26 121.06 3i4c h ALA 309 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3i4c h ALA 309 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i4c h ALA 309 CO 0.00 0.24 -0.05 0.93 0.00 0.00 0.00 179.25 180.38 3i4c h GLU 310 N 0.57 0.00 -0.02 0.00 4.39 -0.68 0.07 114.58 118.91 3i4c h GLU 310 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3i4c h GLU 310 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3i4c h GLU 310 CO -0.00 0.05 -0.05 0.00 -1.16 0.00 0.00 179.01 177.85 3i4c n ALA 311 N -2.21 2.63 -0.97 3.43 0.00 -0.87 -4.72 120.51 117.80 3i4c n ALA 311 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3i4c n ALA 311 Cb 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.27 0.55 0.19 0.00 0.00 0.01 -4.88 105.19 102.33 3i4c n GLY 312 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 1.38 0.00 -3.64 1.61 1.57 -1.25 -3.41 116.57 112.82 3i4c h LYS 313 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 3i4c h LYS 313 Cb 0.11 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.05 3i4c h LYS 313 CO 0.00 0.00 -0.75 0.08 -0.57 0.00 0.00 179.45 178.21 3i4c s VAL 314 N -3.38 0.21 0.41 0.50 1.01 -1.20 -4.84 120.40 113.11 3i4c s VAL 314 Ca 0.05 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 3i4c s VAL 314 Cb 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 36.38 36.00 3i4c s VAL 314 CO 0.51 0.20 0.92 -1.59 0.00 0.00 0.00 175.10 175.14 3i4c s LYS 315 N 1.63 4.22 0.89 2.72 0.00 -1.26 -4.27 119.74 123.67 3i4c s LYS 315 Ca -0.01 1.06 -0.10 0.00 0.00 0.00 0.00 55.97 56.92 3i4c s LYS 315 Cb -0.13 -2.26 0.13 0.00 0.00 0.00 0.00 37.83 35.57 3i4c s LYS 315 CO -0.03 0.02 1.12 -2.14 0.00 0.00 0.00 175.35 174.32 3i4c s PRO 316 N -3.07 1.22 0.50 1.78 0.02 -1.26 -4.97 135.00 129.22 3i4c s PRO 316 Ca 0.60 1.33 -0.20 0.00 0.02 0.00 0.00 61.00 62.75 3i4c s PRO 316 Cb -0.10 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 3i4c s PRO 316 CO 0.14 -2.42 1.05 -1.64 -0.33 0.00 0.00 177.00 173.81 3i4c s MET 317 N -4.73 3.70 0.05 5.54 -1.94 -1.26 -4.95 119.30 115.71 3i4c s MET 317 Ca 0.65 1.38 -0.30 0.00 -1.71 0.00 0.00 55.69 55.70 3i4c s MET 317 Cb -0.21 -2.08 -0.08 0.00 2.01 0.00 0.00 34.83 34.47 3i4c s MET 317 CO 0.58 -0.52 1.77 0.42 -0.01 0.00 0.00 175.02 177.26 3i4c s ILE 318 N -2.00 3.05 0.19 2.53 1.01 -1.26 -4.94 121.20 119.77 3i4c s ILE 318 Ca 0.68 0.33 0.10 0.00 0.00 0.00 0.00 60.65 61.75 3i4c s ILE 318 Cb -0.17 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3i4c s ILE 318 CO 0.22 -0.01 -0.20 -0.89 0.00 0.00 0.00 174.94 174.06 3i4c s THR 319 N 3.42 2.04 -0.21 2.92 2.01 -1.26 -2.16 115.64 122.40 3i4c s THR 319 Ca 0.79 -2.01 -0.00 0.00 0.31 0.00 0.00 61.69 60.78 3i4c s THR 319 Cb -0.40 -1.98 0.06 0.00 0.01 0.00 0.00 72.50 70.19 3i4c s THR 319 CO 0.35 -0.27 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.22 3i4c s LYS 320 N -2.85 1.45 0.30 4.92 2.47 -0.57 -4.92 119.74 120.53 3i4c s LYS 320 Ca 0.19 -0.81 -0.28 0.00 -1.56 0.00 0.00 55.97 53.51 3i4c s LYS 320 Cb -0.06 -2.40 -0.09 0.00 -1.46 0.00 0.00 37.83 33.81 3i4c s LYS 320 CO 0.08 -0.57 0.96 0.95 0.16 0.00 0.00 175.35 176.94 3i4c s THR 321 N 1.51 4.06 0.31 3.43 -4.23 -1.26 -1.64 115.64 117.82 3i4c s THR 321 Ca -0.04 1.85 0.04 0.00 -1.18 0.00 0.00 61.69 62.36 3i4c s THR 321 Cb -0.18 -4.09 -0.03 0.00 1.34 0.00 0.00 72.50 69.54 3i4c s THR 321 CO -0.07 0.28 0.29 -0.04 -0.54 0.00 0.00 174.62 174.54 3i4c s MET 322 N -1.72 1.68 0.28 3.99 -1.94 -0.35 -4.91 119.30 116.33 3i4c s MET 322 Ca 0.47 -1.88 -0.06 0.00 -1.71 0.00 0.00 55.69 52.51 3i4c s MET 322 Cb -0.23 0.34 -0.05 0.00 2.01 0.00 0.00 34.83 36.90 3i4c s MET 322 CO 0.28 -0.63 0.55 0.15 -0.01 0.00 0.00 175.02 175.37 3i4c s LYS 323 N -3.52 3.66 0.37 2.03 -0.14 -1.26 -0.95 119.74 119.93 3i4c s LYS 323 Ca 0.38 0.05 0.08 0.00 -1.36 0.00 0.00 55.97 55.13 3i4c s LYS 323 Cb 0.03 -2.65 0.81 0.00 -1.68 0.00 0.00 37.83 34.34 3i4c s LYS 323 CO 0.23 0.23 1.92 1.25 -0.76 0.00 0.00 175.35 178.23 3i4c h LEU 324 N 1.84 0.62 -1.26 3.17 5.85 -1.88 -0.11 115.31 123.53 3i4c h LEU 324 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 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 0.67 0.36 0.00 -0.33 -0.34 0.00 0.00 178.44 178.80 3i4c h GLU 325 N 0.68 0.00 -0.51 1.25 3.07 -1.95 -2.64 114.58 114.48 3i4c h GLU 325 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3i4c h GLU 325 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 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 -2.62 2.17 0.01 2.33 1.02 -0.06 -4.46 120.64 119.04 3i4c n GLU 326 Ca 0.01 -1.32 -0.12 0.00 -0.02 0.00 0.00 57.16 55.70 3i4c n GLU 326 Cb 0.22 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 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 3.38 -0.56 -0.94 0.62 0.00 -1.58 0.19 119.26 120.37 3i4c h ALA 327 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3i4c h ALA 327 Cb 0.73 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 3i4c h ALA 327 CO 0.08 -0.91 0.61 -0.91 0.00 0.00 0.00 179.25 178.13 3i4c h ASN 328 N -0.49 0.97 -0.00 0.00 2.35 -1.87 -0.71 115.58 115.82 3i4c h ASN 328 Ca 0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3i4c h ASN 328 Cb 0.62 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3i4c h ASN 328 CO -0.37 0.63 0.00 -0.08 -1.65 0.00 0.00 177.43 175.96 3i4c h GLU 329 N 1.10 0.01 -0.59 0.81 4.81 -1.62 0.11 114.58 119.22 3i4c h GLU 329 Ca 0.40 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.72 3i4c h GLU 329 Cb 0.15 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 3i4c h GLU 329 CO -0.15 0.11 0.19 0.00 -0.73 0.00 0.00 179.01 178.43 3i4c h ALA 330 N 0.90 0.74 -0.42 2.92 0.00 0.13 0.64 119.26 124.16 3i4c h ALA 330 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3i4c h ALA 330 Cb 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i4c h ALA 330 CO -0.00 -0.23 -0.11 0.82 0.00 0.00 0.00 179.25 179.73 3i4c h ILE 331 N 0.35 1.25 -0.64 0.00 2.04 -0.85 -2.62 117.51 117.05 3i4c h ILE 331 Ca 0.30 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 3i4c h ILE 331 Cb 0.39 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3i4c h ILE 331 CO -0.33 0.39 0.22 0.44 0.00 0.00 0.00 178.15 178.87 3i4c h ASP 332 N 0.68 0.92 -0.80 1.72 3.32 0.59 -1.11 116.42 121.74 3i4c h ASP 332 Ca 0.12 -0.20 0.12 0.00 0.02 0.00 0.00 57.03 57.10 3i4c h ASP 332 Cb 0.57 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 3i4c h ASP 332 CO 0.04 0.87 0.52 0.78 -1.72 0.00 0.00 179.24 179.73 3i4c h ASN 333 N 0.92 0.57 0.09 6.45 2.35 -0.58 0.19 115.58 125.56 3i4c h ASN 333 Ca 0.21 0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.80 3i4c h ASN 333 Cb 0.26 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3i4c h ASN 333 CO -0.01 0.31 -0.66 -0.07 -1.65 0.00 0.00 177.43 175.35 3i4c h LEU 334 N 0.61 0.62 -0.97 1.61 3.38 -0.95 -3.52 115.31 116.10 3i4c h LEU 334 Ca 0.39 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i4c h LEU 334 Cb 0.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3i4c h LEU 334 CO -0.15 1.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.88 3i4c n GLU 335 N -3.90 0.46 0.00 1.13 1.02 0.05 -5.02 120.64 114.37 3i4c n GLU 335 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3i4c n GLU 335 Cb 0.67 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 3i4c n GLU 335 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4c n GLY 341 N 0.26 0.00 3.65 0.62 0.00 -1.26 -5.11 105.19 103.36 3i4c n GLY 341 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.10 -0.04 1.61 6.06 -0.92 -4.76 118.95 125.00 3i4c s ARG 342 Ca 0.00 1.90 -0.25 0.00 -2.50 0.00 0.00 55.73 54.88 3i4c s ARG 342 Cb 0.00 -3.94 -0.04 0.00 0.06 0.00 0.00 34.95 31.04 3i4c s ARG 342 CO 0.00 -0.92 0.77 -0.65 -2.50 0.00 0.00 175.30 172.01 3i4c s GLN 343 N 4.04 4.47 -0.16 5.12 -0.21 -1.26 -1.51 119.66 130.15 3i4c s GLN 343 Ca 0.67 1.03 0.01 0.00 0.02 0.00 0.00 55.36 57.09 3i4c s GLN 343 Cb -0.28 -3.45 0.02 0.00 1.00 0.00 0.00 33.01 30.31 3i4c s GLN 343 CO 0.25 0.05 -0.16 0.08 -2.12 0.00 0.00 175.29 173.39 3i4c s VAL 344 N 0.81 1.76 0.29 1.09 1.01 -0.65 -0.92 120.40 123.78 3i4c s VAL 344 Ca 0.41 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 3i4c s VAL 344 Cb -0.19 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 3i4c s VAL 344 CO 0.21 0.46 0.96 -0.76 0.00 0.00 0.00 175.10 175.97 3i4c s LEU 345 N 1.41 4.47 -0.41 3.92 1.43 0.82 -1.21 118.68 129.11 3i4c s LEU 345 Ca 0.04 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 3i4c s LEU 345 Cb -0.13 -3.83 0.12 0.00 0.03 0.00 0.00 46.19 42.38 3i4c s LEU 345 CO -0.11 -0.01 0.19 -0.63 0.23 0.00 0.00 176.35 176.02 3i4c s ILE 346 N -1.41 1.58 -1.27 -0.59 1.01 -0.12 -0.47 121.20 119.93 3i4c s ILE 346 Ca 0.47 -2.41 0.00 0.00 0.00 0.00 0.00 60.65 58.71 3i4c s ILE 346 Cb -0.23 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.12 3i4c s ILE 346 CO 0.29 -0.80 0.32 -2.65 0.00 0.00 0.00 174.94 172.09