#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4a s ALA 9 N 0.00 1.02 0.60 0.00 0.00 -1.26 -4.95 121.76 117.17 3i4a s ALA 9 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 3i4a s ALA 9 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3i4a s ALA 9 CO 0.00 -2.78 1.32 0.12 0.00 0.00 0.00 175.76 174.42 3i4a s PHE 10 N -2.85 2.18 -1.22 0.00 5.36 -1.26 -2.73 117.98 117.46 3i4a s PHE 10 Ca 0.65 1.43 0.00 0.00 -0.96 0.00 0.00 56.93 58.05 3i4a s PHE 10 Cb -0.20 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 3i4a s PHE 10 CO 0.58 -2.89 0.00 0.41 -1.46 0.00 0.00 175.22 171.86 3i4a n GLY 11 N 0.80 1.25 3.73 13.12 0.00 -1.26 -4.43 105.19 118.40 3i4a n GLY 11 Ca 0.13 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 3i4a n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i4a s ARG 12 N -3.00 4.46 0.06 1.61 6.06 -1.10 -0.07 118.95 126.97 3i4a s ARG 12 Ca 0.00 0.98 0.01 0.00 -2.50 0.00 0.00 55.73 54.22 3i4a s ARG 12 Cb 0.00 -3.40 -0.03 0.00 0.06 0.00 0.00 34.95 31.58 3i4a s ARG 12 CO 0.00 0.19 -0.06 0.00 -2.50 0.00 0.00 175.30 172.93 3i4a s ALA 13 N 0.32 0.60 -0.02 6.12 0.00 -1.26 -4.25 121.76 123.26 3i4a s ALA 13 Ca 0.38 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.38 3i4a s ALA 13 Cb -0.19 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3i4a s ALA 13 CO 0.21 -0.17 0.04 0.25 0.00 0.00 0.00 175.76 176.09 3i4a n THR 14 N 0.80 0.11 -4.21 0.00 -2.24 0.75 -4.89 114.28 104.60 3i4a n THR 14 Ca -0.18 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3i4a n THR 14 Cb 0.58 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 3i4a n THR 14 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i4a s HIS 15 N -2.14 1.15 -0.09 4.78 3.76 -0.17 -1.80 115.29 120.78 3i4a s HIS 15 Ca -0.01 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.13 3i4a s HIS 15 Cb 0.01 -0.61 0.04 0.00 1.11 0.00 0.00 32.58 33.14 3i4a s HIS 15 CO 0.13 0.03 0.20 0.00 -0.85 0.00 0.00 174.74 174.24 3i4a s ALA 16 N -2.97 -0.43 -0.19 -1.40 0.00 -0.97 -1.96 121.76 113.85 3i4a s ALA 16 Ca 0.12 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 3i4a s ALA 16 Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 3i4a s ALA 16 CO -0.00 -0.17 0.10 0.08 0.00 0.00 0.00 175.76 175.77 3i4a s VAL 17 N 1.15 5.18 0.34 0.00 1.01 -0.39 -1.24 120.40 126.43 3i4a s VAL 17 Ca -0.09 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3i4a s VAL 17 Cb -0.10 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3i4a s VAL 17 CO -0.07 0.45 0.16 1.33 0.00 0.00 0.00 175.10 176.97 3i4a n VAL 18 N 3.47 0.00 -3.64 2.92 0.24 -0.21 -0.93 118.33 120.16 3i4a n VAL 18 Ca -0.16 -2.07 -0.10 0.00 -2.04 0.00 0.00 64.34 59.97 3i4a n VAL 18 Cb 0.52 0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 3i4a n VAL 18 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i4a s ARG 19 N -3.30 0.72 0.53 7.34 3.52 -1.26 -1.55 118.95 124.96 3i4a s ARG 19 Ca 0.22 1.08 -0.20 0.00 -0.13 0.00 0.00 55.73 56.71 3i4a s ARG 19 Cb 0.01 0.23 -0.06 0.00 -1.56 0.00 0.00 34.95 33.57 3i4a s ARG 19 CO 0.16 -0.13 1.17 0.00 -0.81 0.00 0.00 175.30 175.69 3i4a s ALA 20 N 1.10 2.73 0.03 6.12 0.00 -1.18 -4.25 121.76 126.32 3i4a s ALA 20 Ca -0.06 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.59 3i4a s ALA 20 Cb -0.05 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 3i4a s ALA 20 CO -0.11 -0.86 0.69 -0.48 0.00 0.00 0.00 175.76 174.99 3i4a s LEU 21 N -3.66 4.45 0.61 0.00 0.05 -1.26 -4.09 118.68 114.77 3i4a s LEU 21 Ca 0.72 1.33 -0.17 0.00 0.05 0.00 0.00 54.13 56.05 3i4a s LEU 21 Cb -0.27 -3.09 -0.02 0.00 -2.05 0.00 0.00 46.19 40.75 3i4a s LEU 21 CO 0.31 0.07 1.15 -2.84 -0.55 0.00 0.00 176.35 174.50 3i4a s PRO 22 N -0.23 2.95 0.03 1.48 0.02 -1.26 -4.91 135.00 133.09 3i4a s PRO 22 Ca 0.35 1.62 0.13 0.00 0.02 0.00 0.00 61.00 63.12 3i4a s PRO 22 Cb -0.20 -1.95 0.56 0.00 0.02 0.00 0.00 34.50 32.94 3i4a s PRO 22 CO 0.21 -1.17 1.42 -1.91 -0.33 0.00 0.00 177.00 175.21 3i4a n GLU 23 N -1.86 0.02 -0.08 5.54 4.07 -1.26 -1.85 120.64 125.22 3i4a n GLU 23 Ca 0.12 0.31 0.10 0.00 -0.06 0.00 0.00 57.16 57.63 3i4a n GLU 23 Cb 0.51 -1.54 0.37 0.00 -0.06 0.00 0.00 31.44 30.72 3i4a n GLU 23 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3i4a n SER 24 N -1.58 1.46 -0.03 4.31 3.41 -1.26 -3.93 113.62 116.00 3i4a n SER 24 Ca 0.03 -1.70 -0.15 0.00 -0.26 0.00 0.00 58.87 56.78 3i4a n SER 24 Cb 0.15 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 3i4a n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i4a h LEU 25 N 1.91 0.24 -1.11 1.04 6.46 -1.55 -2.47 115.31 119.83 3i4a h LEU 25 Ca 0.00 -0.76 0.27 0.00 -0.12 0.00 0.00 57.88 57.27 3i4a h LEU 25 Cb 0.42 -0.07 -0.12 0.00 -0.73 0.00 0.00 40.66 40.15 3i4a h LEU 25 CO 0.00 0.97 0.62 1.23 -0.62 0.00 0.00 178.44 180.65 3i4a h GLY 26 N -0.46 1.74 0.00 3.75 0.00 -1.78 0.12 103.07 106.43 3i4a h GLY 26 Ca -0.03 -0.26 -0.23 0.00 0.00 0.00 0.00 47.33 46.80 3i4a h GLY 26 CO 0.05 -0.27 -1.92 -1.06 0.00 0.00 0.00 176.54 173.35 3i4a n GLN 27 N -4.84 1.67 0.00 4.80 1.13 -1.26 -4.42 117.38 114.47 3i4a n GLN 27 Ca 0.28 -0.02 0.01 0.00 -1.94 0.00 0.00 57.00 55.33 3i4a n GLN 27 Cb 0.85 -1.35 -0.00 0.00 0.11 0.00 0.00 30.24 29.85 3i4a n GLN 27 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3i4a n HIS 28 N -2.47 0.00 -1.72 1.08 8.25 -0.93 -4.99 115.22 114.44 3i4a n HIS 28 Ca -0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.84 3i4a n HIS 28 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 3i4a n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4a n ALA 29 N -0.55 1.62 -2.15 -1.41 0.00 0.40 -4.80 120.51 113.62 3i4a n ALA 29 Ca 0.01 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 3i4a n ALA 29 Cb 0.04 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 3i4a n ALA 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i4a s LEU 30 N -1.57 4.39 0.10 0.00 1.43 -1.26 -5.01 118.68 116.76 3i4a s LEU 30 Ca 0.57 2.28 0.05 0.00 -1.03 0.00 0.00 54.13 55.99 3i4a s LEU 30 Cb -0.52 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 3i4a s LEU 30 CO 0.61 -0.54 -0.12 0.00 0.23 0.00 0.00 176.35 176.53 3i4a s ARG 31 N 0.55 0.88 0.12 1.70 1.70 -1.26 -4.70 118.95 117.94 3i4a s ARG 31 Ca 0.59 -1.11 0.17 0.00 -0.47 0.00 0.00 55.73 54.92 3i4a s ARG 31 Cb -0.35 -0.71 -0.08 0.00 -0.57 0.00 0.00 34.95 33.24 3i4a s ARG 31 CO 0.33 0.13 0.95 0.66 -1.08 0.00 0.00 175.30 176.30 3i4a h SER 32 N 3.78 0.00 -3.84 -2.89 4.64 -1.89 -3.46 113.55 109.89 3i4a h SER 32 Ca -0.39 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.46 3i4a h SER 32 Cb 1.19 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.97 3i4a h SER 32 CO 0.48 0.47 -0.80 0.00 -0.87 0.00 0.00 176.83 176.11 3i4a s ALA 33 N -3.00 1.08 -0.17 5.18 0.00 -1.26 -5.06 121.76 118.53 3i4a s ALA 33 Ca -0.01 -0.44 -0.32 0.00 0.00 0.00 0.00 51.96 51.18 3i4a s ALA 33 Cb 0.09 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.73 3i4a s ALA 33 CO 0.80 0.18 2.06 1.63 0.00 0.00 0.00 175.76 180.43 3i4a n LYS 34 N 3.25 1.96 0.00 0.00 4.76 -1.26 -4.87 118.16 122.00 3i4a n LYS 34 Ca -0.18 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 3i4a n LYS 34 Cb 0.54 -2.83 0.00 0.00 -1.84 0.00 0.00 35.03 30.90 3i4a n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i4a n GLY 35 N 5.29 5.22 3.95 0.72 0.00 -1.26 -5.17 105.19 113.93 3i4a n GLY 35 Ca 0.28 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 3i4a n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i4a s GLU 36 N 4.67 3.48 -0.31 1.61 2.02 -1.26 -5.02 118.70 123.88 3i4a s GLU 36 Ca 0.00 -0.49 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 3i4a s GLU 36 Cb 0.00 -2.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 3i4a s GLU 36 CO 0.00 0.36 1.63 -2.00 0.02 0.00 0.00 175.26 175.26 3i4a s GLU 37 N -3.76 3.56 -0.07 1.61 2.12 -1.26 -4.93 118.70 115.97 3i4a s GLU 37 Ca 0.37 1.37 -0.35 0.00 0.36 0.00 0.00 54.97 56.73 3i4a s GLU 37 Cb -0.10 -4.09 -0.12 0.00 0.26 0.00 0.00 34.13 30.07 3i4a s GLU 37 CO 0.31 -1.58 1.82 0.28 -0.54 0.00 0.00 175.26 175.55 3i4a n VAL 38 N 6.98 0.47 -2.52 3.70 0.31 -1.26 -4.91 118.33 121.09 3i4a n VAL 38 Ca 0.20 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 64.04 3i4a n VAL 38 Cb 0.47 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 3i4a n VAL 38 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i4a s ASP 39 N 3.52 6.30 0.62 4.52 -1.08 -1.26 -4.86 116.67 124.43 3i4a s ASP 39 Ca 0.91 -1.04 0.39 0.00 -0.52 0.00 0.00 52.55 52.29 3i4a s ASP 39 Cb -0.73 -2.57 2.03 0.00 -1.46 0.00 0.00 42.92 40.20 3i4a s ASP 39 CO 0.51 -1.70 2.24 0.58 0.52 0.00 0.00 175.17 177.33 3i4a h VAL 40 N 6.56 0.12 -0.05 1.11 2.07 -1.96 -0.66 116.25 123.44 3i4a h VAL 40 Ca 0.02 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3i4a h VAL 40 Cb 1.03 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3i4a h VAL 40 CO 1.36 0.02 -0.10 0.00 0.02 0.00 0.00 177.57 178.87 3i4a h ALA 41 N 1.98 0.08 -0.25 1.67 0.00 -2.00 -1.63 119.26 119.11 3i4a h ALA 41 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3i4a h ALA 41 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i4a h ALA 41 CO 0.00 -0.06 -0.34 -0.09 0.00 0.00 0.00 179.25 178.76 3i4a h ARG 42 N -0.35 0.55 -0.52 0.00 2.43 -1.83 -2.29 114.38 112.37 3i4a h ARG 42 Ca 0.00 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3i4a h ARG 42 Cb 0.67 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 3i4a h ARG 42 CO 0.02 0.82 0.28 0.00 -1.51 0.00 0.00 179.97 179.58 3i4a h ALA 43 N 1.16 1.51 -0.16 2.80 0.00 -1.12 0.36 119.26 123.82 3i4a h ALA 43 Ca 0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3i4a h ALA 43 Cb 0.82 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3i4a h ALA 43 CO 0.07 0.41 -0.23 1.49 0.00 0.00 0.00 179.25 180.98 3i4a h GLU 44 N 0.73 0.44 -0.32 0.00 4.57 -1.12 -2.15 114.58 116.73 3i4a h GLU 44 Ca 0.19 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 3i4a h GLU 44 Cb 0.03 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 3i4a h GLU 44 CO -0.03 0.85 0.03 -0.09 -1.18 0.00 0.00 179.01 178.59 3i4a h ARG 45 N 0.07 0.13 -0.04 1.92 9.65 -0.79 0.15 114.38 125.48 3i4a h ARG 45 Ca 0.02 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3i4a h ARG 45 Cb 0.80 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 3i4a h ARG 45 CO 0.05 0.09 -0.19 1.96 2.80 0.00 0.00 179.97 184.68 3i4a h GLN 46 N 0.13 0.06 0.05 0.20 4.20 -0.32 -0.36 115.11 119.07 3i4a h GLN 46 Ca 0.15 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.62 3i4a h GLN 46 Cb 0.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3i4a h GLN 46 CO -0.23 0.25 -1.03 1.25 -0.67 0.00 0.00 178.83 178.41 3i4a h HIS 47 N 0.06 0.35 0.11 2.96 2.76 -0.89 -2.62 115.15 117.88 3i4a h HIS 47 Ca 0.01 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 57.95 3i4a h HIS 47 Cb 0.38 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.31 3i4a h HIS 47 CO 0.00 1.10 -0.05 1.96 -1.30 0.00 0.00 177.93 179.64 3i4a h GLN 48 N 0.09 -0.14 -0.12 5.26 4.20 -0.53 -2.37 115.11 121.51 3i4a h GLN 48 Ca -0.07 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.69 3i4a h GLN 48 Cb 1.72 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.47 3i4a h GLN 48 CO 0.16 0.03 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.06 3i4a h LEU 49 N -0.28 -0.68 -0.70 1.46 3.38 -1.12 -1.85 115.31 115.52 3i4a h LEU 49 Ca -0.01 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3i4a h LEU 49 Cb 0.23 0.30 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 3i4a h LEU 49 CO 0.02 -0.27 -0.10 0.22 0.09 0.00 0.00 178.44 178.40 3i4a h TYR 50 N -0.29 -0.23 -0.54 1.13 3.20 -1.46 -1.25 116.97 117.53 3i4a h TYR 50 Ca 0.10 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 3i4a h TYR 50 Cb 0.43 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 3i4a h TYR 50 CO -0.32 -0.27 -0.10 0.28 -1.64 0.00 0.00 178.16 176.12 3i4a h VAL 51 N 0.04 1.27 -0.81 1.81 2.07 -1.18 -2.79 116.25 116.67 3i4a h VAL 51 Ca 0.35 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.69 3i4a h VAL 51 Cb 0.57 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3i4a h VAL 51 CO -0.67 0.44 0.53 1.23 0.02 0.00 0.00 177.57 179.12 3i4a h GLY 52 N 0.90 1.11 0.78 2.17 0.00 -0.59 0.20 103.07 107.64 3i4a h GLY 52 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3i4a h GLY 52 CO 0.05 0.25 0.01 -2.08 0.00 0.00 0.00 176.54 174.77 3i4a h VAL 53 N 0.86 1.22 -0.20 4.60 2.07 -1.05 0.45 116.25 124.19 3i4a h VAL 53 Ca 0.35 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3i4a h VAL 53 Cb 0.26 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3i4a h VAL 53 CO -0.13 0.19 0.13 -0.07 0.02 0.00 0.00 177.57 177.72 3i4a h LEU 54 N -0.10 0.24 0.00 2.57 3.38 -1.20 0.43 115.31 120.63 3i4a h LEU 54 Ca 0.03 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 3i4a h LEU 54 Cb 0.29 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3i4a h LEU 54 CO 0.00 0.20 -1.57 0.61 0.09 0.00 0.00 178.44 177.77 3i4a n GLY 55 N -1.08 -0.74 0.12 0.83 0.00 0.67 -1.16 105.19 103.83 3i4a n GLY 55 Ca -0.03 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3i4a n GLY 55 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i4a h SER 56 N -1.00 0.32 0.16 1.61 0.02 -0.46 -2.58 113.55 111.62 3i4a h SER 56 Ca -0.43 -0.83 -0.22 0.00 -0.84 0.00 0.00 61.79 59.48 3i4a h SER 56 Cb 1.35 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3i4a h SER 56 CO -0.26 1.58 -0.87 0.50 -1.14 0.00 0.00 176.83 176.65 3i4a h LYS 57 N -0.41 0.53 0.00 3.45 3.11 -0.56 -3.36 116.57 119.34 3i4a h LYS 57 Ca -0.30 -0.50 0.00 0.00 -2.81 0.00 0.00 60.65 57.04 3i4a h LYS 57 Cb 1.68 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 33.03 3i4a h LYS 57 CO 0.03 1.13 -0.69 1.28 -2.81 0.00 0.00 179.45 178.39 3i4a n LEU 58 N -3.83 0.36 0.00 5.20 4.77 0.14 -5.02 117.00 118.62 3i4a n LEU 58 Ca -0.07 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3i4a n LEU 58 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3i4a n LEU 58 CO 0.51 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3i4a n GLY 59 N 1.39 0.43 3.78 -0.72 0.00 -0.97 -4.94 105.19 104.16 3i4a n GLY 59 Ca 0.01 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 3i4a n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4a s LEU 60 N 0.00 4.03 -0.59 0.99 1.43 -0.31 -4.97 118.68 119.26 3i4a s LEU 60 Ca 0.00 2.12 -0.28 0.00 -1.03 0.00 0.00 54.13 54.94 3i4a s LEU 60 Cb 0.00 -4.28 0.03 0.00 0.03 0.00 0.00 46.19 41.97 3i4a s LEU 60 CO 0.00 -0.72 1.24 -1.10 0.23 0.00 0.00 176.35 176.00 3i4a s GLN 61 N -2.71 3.45 -0.16 1.70 -0.21 -0.75 -4.29 119.66 116.68 3i4a s GLN 61 Ca 0.62 0.23 -0.16 0.00 0.02 0.00 0.00 55.36 56.07 3i4a s GLN 61 Cb -0.24 -4.05 -0.04 0.00 1.00 0.00 0.00 33.01 29.68 3i4a s GLN 61 CO 0.29 -1.78 0.40 0.08 -2.12 0.00 0.00 175.29 172.16 3i4a s VAL 62 N 5.22 5.22 -0.24 1.09 1.01 -1.26 -2.28 120.40 129.16 3i4a s VAL 62 Ca 0.44 0.75 -0.14 0.00 0.00 0.00 0.00 61.98 63.03 3i4a s VAL 62 Cb -0.08 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3i4a s VAL 62 CO 0.24 0.31 0.31 -0.69 0.00 0.00 0.00 175.10 175.28 3i4a s VAL 63 N 0.86 5.24 -0.63 2.92 1.01 -0.38 -4.98 120.40 124.44 3i4a s VAL 63 Ca 0.21 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 3i4a s VAL 63 Cb -0.14 -3.65 0.16 0.00 0.00 0.00 0.00 36.38 32.76 3i4a s VAL 63 CO 0.07 0.24 0.47 -1.61 0.00 0.00 0.00 175.10 174.27 3i4a s GLU 64 N 1.59 2.70 0.66 2.72 2.02 -1.26 -1.05 118.70 126.08 3i4a s GLU 64 Ca 0.14 -2.40 -0.17 0.00 0.02 0.00 0.00 54.97 52.55 3i4a s GLU 64 Cb -0.15 -3.86 -0.00 0.00 0.10 0.00 0.00 34.13 30.21 3i4a s GLU 64 CO 0.08 -1.19 1.26 -0.51 0.02 0.00 0.00 175.26 174.93 3i4a s LEU 65 N 0.19 3.53 0.51 1.80 1.43 -0.60 -4.87 118.68 120.67 3i4a s LEU 65 Ca 0.15 2.54 -0.19 0.00 -1.03 0.00 0.00 54.13 55.60 3i4a s LEU 65 Cb -0.19 -4.61 -0.07 0.00 0.03 0.00 0.00 46.19 41.34 3i4a s LEU 65 CO -0.04 -2.02 1.03 -2.16 0.23 0.00 0.00 176.35 173.39 3i4a s PRO 66 N -3.48 3.73 0.75 1.29 0.04 -1.26 -3.11 135.00 132.96 3i4a s PRO 66 Ca 0.80 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 3i4a s PRO 66 Cb -0.35 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.15 3i4a s PRO 66 CO 0.40 -0.48 1.14 0.00 0.04 0.00 0.00 177.00 178.10 3i4a s ALA 67 N -2.16 2.13 -0.28 8.56 0.00 -1.26 -4.67 121.76 124.08 3i4a s ALA 67 Ca 0.65 0.60 0.03 0.00 0.00 0.00 0.00 51.96 53.24 3i4a s ALA 67 Cb -0.15 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.66 3i4a s ALA 67 CO 0.24 -1.84 -0.05 0.34 0.00 0.00 0.00 175.76 174.45 3i4a s ASP 68 N -2.60 4.51 0.66 0.00 3.68 -1.26 -5.00 116.67 116.64 3i4a s ASP 68 Ca 0.68 -1.63 0.39 0.00 2.13 0.00 0.00 52.55 54.12 3i4a s ASP 68 Cb -0.23 -1.54 2.14 0.00 -1.45 0.00 0.00 42.92 41.84 3i4a s ASP 68 CO 0.49 -0.26 2.24 -0.33 0.13 0.00 0.00 175.17 177.44 3i4a h GLU 69 N 7.74 0.00 -0.01 4.34 4.39 -1.97 0.19 114.58 129.26 3i4a h GLU 69 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3i4a h GLU 69 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3i4a h GLU 69 CO 0.48 0.00 -0.22 -1.13 -1.16 0.00 0.00 179.01 176.98 3i4a n SER 70 N -3.16 1.20 -3.84 1.42 3.41 -1.26 -4.53 113.62 106.85 3i4a n SER 70 Ca -0.02 -1.05 -0.29 0.00 -0.26 0.00 0.00 58.87 57.25 3i4a n SER 70 Cb 0.17 0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 3i4a n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i4a s LEU 71 N -2.40 4.05 0.27 1.04 1.43 0.06 -4.99 118.68 118.15 3i4a s LEU 71 Ca 0.27 -3.36 0.15 0.00 -1.03 0.00 0.00 54.13 50.17 3i4a s LEU 71 Cb 0.19 -1.44 0.84 0.00 0.03 0.00 0.00 46.19 45.82 3i4a s LEU 71 CO 0.48 -0.16 1.43 -2.65 0.23 0.00 0.00 176.35 175.68 3i4a n PRO 72 N 2.62 0.10 -0.10 1.29 -0.02 -1.26 -1.25 135.00 136.37 3i4a n PRO 72 Ca 0.15 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 62.24 3i4a n PRO 72 Cb 0.35 -1.95 0.09 0.00 -0.02 0.00 0.00 33.50 31.98 3i4a n PRO 72 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i4a n ASP 73 N -2.06 2.50 0.22 2.55 9.92 -1.26 -4.27 116.55 124.15 3i4a n ASP 73 Ca -0.01 -1.93 0.15 0.00 -0.53 0.00 0.00 54.79 52.47 3i4a n ASP 73 Cb 0.14 -0.14 0.77 0.00 -0.64 0.00 0.00 41.12 41.25 3i4a n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i4a h VAL 75 N 0.00 1.17 -1.19 0.00 3.04 -1.75 -3.35 116.25 114.17 3i4a h VAL 75 Ca 0.00 -1.01 -0.75 0.00 -1.01 0.00 0.00 66.70 63.94 3i4a h VAL 75 Cb 0.05 1.55 -0.14 0.00 -2.01 0.00 0.00 31.29 30.75 3i4a h VAL 75 CO 0.00 0.28 2.22 0.49 -1.01 0.00 0.00 177.57 179.55 3i4a n PHE 76 N -4.14 2.93 0.30 3.17 3.01 -0.66 -4.50 117.46 117.57 3i4a n PHE 76 Ca -0.02 -2.81 0.19 0.00 1.01 0.00 0.00 57.45 55.82 3i4a n PHE 76 Cb 0.34 -2.00 0.89 0.00 -0.01 0.00 0.00 39.48 38.70 3i4a n PHE 76 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 3i4a h VAL 77 N 3.63 0.00 -0.14 -4.37 -1.51 -1.63 -2.97 116.25 109.26 3i4a h VAL 77 Ca 0.45 -0.24 0.04 0.00 -1.23 0.00 0.00 66.70 65.72 3i4a h VAL 77 Cb 0.59 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 3i4a h VAL 77 CO 1.64 0.00 0.10 -0.08 -1.23 0.00 0.00 177.57 178.01 3i4a h GLU 78 N 0.00 0.00 0.00 5.19 4.81 -1.55 -2.93 114.58 120.10 3i4a h GLU 78 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3i4a h GLU 78 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3i4a h GLU 78 CO 0.00 0.00 -0.46 -0.44 -0.73 0.00 0.00 179.01 177.38 3i4a h ASP 79 N 0.00 0.00 -0.04 1.04 3.32 -1.77 -3.25 116.42 115.72 3i4a h ASP 79 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3i4a h ASP 79 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3i4a h ASP 79 CO -0.00 0.42 0.00 1.33 -1.72 0.00 0.00 179.24 179.27 3i4a n VAL 80 N -3.19 0.04 -3.60 -1.35 0.24 -1.10 -0.69 118.33 108.67 3i4a n VAL 80 Ca 0.02 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 62.11 3i4a n VAL 80 Cb 0.71 0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 3i4a n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i4a s ALA 81 N -1.96 -2.43 -0.16 2.33 0.00 -1.23 -2.65 121.76 115.66 3i4a s ALA 81 Ca 0.38 2.14 -0.03 0.00 0.00 0.00 0.00 51.96 54.45 3i4a s ALA 81 Cb 0.20 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 3i4a s ALA 81 CO 0.32 -0.45 -0.05 0.14 0.00 0.00 0.00 175.76 175.72 3i4a s VAL 82 N 1.49 3.73 -0.05 0.00 -7.23 -0.64 -4.79 120.40 112.90 3i4a s VAL 82 Ca -0.08 -0.41 0.04 0.00 -1.81 0.00 0.00 61.98 59.72 3i4a s VAL 82 Cb -0.04 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 3i4a s VAL 82 CO -0.15 0.48 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.28 3i4a s VAL 83 N 0.57 2.92 -0.11 1.32 1.01 -1.26 -0.65 120.40 124.20 3i4a s VAL 83 Ca -0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3i4a s VAL 83 Cb -0.14 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.15 3i4a s VAL 83 CO 0.03 0.58 0.10 0.00 0.00 0.00 0.00 175.10 175.81 3i4a n GLU 85 N 5.30 0.00 -0.01 0.00 1.02 -1.26 -0.95 120.64 124.74 3i4a n GLU 85 Ca -0.05 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.22 3i4a n GLU 85 Cb 0.50 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 32.14 3i4a n GLU 85 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3i4a n GLU 86 N 10.21 2.15 -3.88 3.49 -0.00 -1.26 -4.65 120.64 126.70 3i4a n GLU 86 Ca 0.00 -1.67 -0.35 0.00 -0.00 0.00 0.00 57.16 55.14 3i4a n GLU 86 Cb 0.00 -1.47 -0.09 0.00 -0.00 0.00 0.00 31.44 29.88 3i4a n GLU 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3i4a s THR 87 N -1.98 5.04 -0.11 3.84 2.01 -0.13 -0.11 115.64 124.20 3i4a s THR 87 Ca 0.31 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 3i4a s THR 87 Cb 0.20 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 3i4a s THR 87 CO 0.31 0.45 -0.07 0.00 -0.69 0.00 0.00 174.62 174.62 3i4a s ALA 88 N 0.41 2.91 -0.34 7.40 0.00 0.29 -0.92 121.76 131.52 3i4a s ALA 88 Ca 0.05 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 3i4a s ALA 88 Cb -0.12 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.68 3i4a s ALA 88 CO -0.00 0.38 0.13 -1.17 0.00 0.00 0.00 175.76 175.09 3i4a s LEU 89 N -0.15 4.32 -0.44 0.00 2.96 0.18 0.25 118.68 125.80 3i4a s LEU 89 Ca 0.02 -0.97 -0.29 0.00 -0.22 0.00 0.00 54.13 52.66 3i4a s LEU 89 Cb -0.13 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.66 3i4a s LEU 89 CO 0.03 -0.31 1.24 -0.63 -1.32 0.00 0.00 176.35 175.36 3i4a s ILE 90 N 1.48 4.10 0.91 6.68 -1.09 0.27 -1.63 121.20 131.93 3i4a s ILE 90 Ca 0.01 1.14 -0.15 0.00 -2.23 0.00 0.00 60.65 59.42 3i4a s ILE 90 Cb -0.19 -4.44 0.16 0.00 -1.58 0.00 0.00 42.46 36.42 3i4a s ILE 90 CO 0.04 -0.88 1.28 0.42 -1.23 0.00 0.00 174.94 174.57 3i4a s THR 91 N 4.77 2.00 -0.46 2.92 -4.23 -1.09 -0.21 115.64 119.35 3i4a s THR 91 Ca 0.53 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 3i4a s THR 91 Cb -0.10 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 70.86 3i4a s THR 91 CO 0.31 0.00 0.23 -0.60 -0.54 0.00 0.00 174.62 174.02 3i4a s ARG 92 N -5.79 1.99 0.16 3.99 3.52 -1.24 -4.60 118.95 116.97 3i4a s ARG 92 Ca 0.70 -2.16 -0.34 0.00 -0.13 0.00 0.00 55.73 53.80 3i4a s ARG 92 Cb -0.06 -3.47 -0.15 0.00 -1.56 0.00 0.00 34.95 29.71 3i4a s ARG 92 CO 0.52 -1.07 1.27 -2.30 -0.81 0.00 0.00 175.30 172.91 3i4a n PRO 93 N 3.95 1.35 -0.00 5.12 -0.02 -1.23 0.70 135.00 144.87 3i4a n PRO 93 Ca 0.03 0.48 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 3i4a n PRO 93 Cb 0.39 -2.06 0.52 0.00 -0.02 0.00 0.00 33.50 32.33 3i4a n PRO 93 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3i4a h GLY 94 N 3.97 0.44 -7.03 -1.23 0.00 -1.73 -3.37 103.07 94.12 3i4a h GLY 94 Ca -0.45 -0.14 -0.63 0.00 0.00 0.00 0.00 47.33 46.11 3i4a h GLY 94 CO 0.74 0.11 -0.06 0.00 0.00 0.00 0.00 176.54 177.33 3i4a s ALA 95 N -5.34 3.53 0.46 3.60 0.00 -1.26 -4.90 121.76 117.86 3i4a s ALA 95 Ca -0.07 -0.82 0.16 0.00 0.00 0.00 0.00 51.96 51.23 3i4a s ALA 95 Cb 0.19 -2.93 1.13 0.00 0.00 0.00 0.00 23.12 21.51 3i4a s ALA 95 CO 0.73 -0.95 2.01 -1.35 0.00 0.00 0.00 175.76 176.20 3i4a h PRO 96 N 8.24 0.27 -0.02 0.00 0.11 -1.99 -2.01 132.00 136.60 3i4a h PRO 96 Ca -0.29 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.66 3i4a h PRO 96 Cb 1.14 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3i4a h PRO 96 CO 0.73 0.18 -0.66 0.66 -0.21 0.00 0.00 178.00 178.70 3i4a h SER 97 N 0.28 0.09 0.30 -2.05 4.64 -1.93 -2.83 113.55 112.05 3i4a h SER 97 Ca 0.23 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3i4a h SER 97 Cb 0.55 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3i4a h SER 97 CO -0.05 0.73 0.00 0.54 -0.87 0.00 0.00 176.83 177.18 3i4a n ARG 98 N -3.78 0.35 0.26 4.77 1.74 -0.76 -3.56 116.66 115.69 3i4a n ARG 98 Ca -0.02 0.08 0.16 0.00 -0.77 0.00 0.00 57.85 57.30 3i4a n ARG 98 Cb 0.65 -1.50 0.62 0.00 -1.02 0.00 0.00 32.46 31.22 3i4a n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i4a h ARG 99 N 0.00 0.00 0.00 5.56 3.08 -1.56 -2.74 114.38 118.73 3i4a h ARG 99 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i4a h ARG 99 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3i4a h ARG 99 CO 0.00 0.05 0.00 1.63 -1.07 0.00 0.00 179.97 180.58 3i4a n LYS 100 N -3.17 0.31 0.16 0.04 5.02 -1.23 -3.02 118.16 116.26 3i4a n LYS 100 Ca 0.01 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.38 3i4a n LYS 100 Cb 0.34 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.93 3i4a n LYS 100 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3i4a h GLU 101 N 0.00 0.00 -0.66 1.97 5.08 -1.76 -3.36 114.58 115.85 3i4a h GLU 101 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3i4a h GLU 101 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3i4a h GLU 101 CO 0.00 0.41 0.34 0.28 -1.00 0.00 0.00 179.01 179.04 3i4a h VAL 102 N 0.00 1.20 -0.78 3.13 2.07 -1.73 -3.28 116.25 116.87 3i4a h VAL 102 Ca -0.00 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3i4a h VAL 102 Cb 1.28 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3i4a h VAL 102 CO 0.05 0.23 0.33 0.44 0.02 0.00 0.00 177.57 178.65 3i4a h ASP 103 N 0.93 1.06 -0.13 0.57 3.32 -1.81 0.45 116.42 120.81 3i4a h ASP 103 Ca 0.23 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3i4a h ASP 103 Cb 0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3i4a h ASP 103 CO -0.04 0.93 -0.18 -0.03 -1.72 0.00 0.00 179.24 178.21 3i4a h MET 104 N 1.13 0.53 -0.04 3.56 4.05 -1.84 -2.86 114.93 119.46 3i4a h MET 104 Ca 0.26 -0.18 -0.22 0.00 -0.28 0.00 0.00 59.70 59.29 3i4a h MET 104 Cb 0.19 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3i4a h MET 104 CO -0.03 0.69 -0.88 1.98 0.23 0.00 0.00 176.91 178.91 3i4a h MET 105 N 0.48 0.49 -0.01 0.39 1.85 -1.49 -2.79 114.93 113.85 3i4a h MET 105 Ca 0.08 -0.48 -0.00 0.00 -0.61 0.00 0.00 59.70 58.69 3i4a h MET 105 Cb 0.58 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.74 3i4a h MET 105 CO 0.04 1.12 0.00 -0.22 -0.40 0.00 0.00 176.91 177.45 3i4a h LYS 106 N 0.30 0.01 0.00 0.39 3.64 -0.78 -1.69 116.57 118.44 3i4a h LYS 106 Ca -0.07 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 3i4a h LYS 106 Cb 1.50 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 3i4a h LYS 106 CO 0.16 0.07 -0.37 1.05 -2.27 0.00 0.00 179.45 178.09 3i4a h GLU 107 N -0.06 0.00 -0.19 1.90 4.11 -1.56 -0.35 114.58 118.43 3i4a h GLU 107 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 3i4a h GLU 107 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3i4a h GLU 107 CO -0.00 0.37 -0.49 0.00 0.07 0.00 0.00 179.01 178.97 3i4a h ALA 108 N 1.63 0.80 0.00 1.06 0.00 -1.29 -1.59 119.26 119.87 3i4a h ALA 108 Ca -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3i4a h ALA 108 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i4a h ALA 108 CO 0.05 0.67 -0.42 -0.07 0.00 0.00 0.00 179.25 179.47 3i4a h LEU 109 N 0.40 0.00 -0.92 0.00 3.38 -0.93 -2.84 115.31 114.40 3i4a h LEU 109 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3i4a h LEU 109 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3i4a h LEU 109 CO 0.09 0.42 -0.33 -0.33 0.09 0.00 0.00 178.44 178.38 3i4a h GLU 110 N 0.00 0.39 0.00 1.13 5.08 -0.81 -2.67 114.58 117.69 3i4a h GLU 110 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3i4a h GLU 110 Cb 1.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3i4a h GLU 110 CO 0.05 0.68 0.00 0.87 -1.00 0.00 0.00 179.01 179.61 3i4a h LYS 111 N 0.33 0.00 -0.66 2.33 1.79 -1.18 -2.74 116.57 116.44 3i4a h LYS 111 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3i4a h LYS 111 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 3i4a h LYS 111 CO 0.06 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.71 3i4a n LEU 112 N -2.70 4.40 -3.76 2.94 4.77 -1.05 -4.97 117.00 116.63 3i4a n LEU 112 Ca 0.05 -2.23 -0.26 0.00 -0.03 0.00 0.00 56.01 53.54 3i4a n LEU 112 Cb 0.48 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3i4a n LEU 112 CO 0.32 0.58 -0.12 0.00 -1.33 0.00 0.00 177.39 176.83 3i4a n GLN 113 N 0.59 -2.95 -4.04 3.23 3.00 -1.03 -4.99 117.38 111.18 3i4a n GLN 113 Ca 0.21 0.50 -0.22 0.00 -0.01 0.00 0.00 57.00 57.48 3i4a n GLN 113 Cb 0.90 -4.60 -0.03 0.00 0.00 0.00 0.00 30.24 26.51 3i4a n GLN 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3i4a s LEU 114 N -6.66 4.07 -0.57 1.08 1.43 -1.04 -5.04 118.68 111.96 3i4a s LEU 114 Ca 0.19 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.94 3i4a s LEU 114 Cb -0.06 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.59 3i4a s LEU 114 CO 0.85 -0.05 1.04 0.20 0.23 0.00 0.00 176.35 178.62 3i4a s ASN 115 N -3.90 6.37 -0.19 2.29 -0.87 0.84 -4.84 114.94 114.64 3i4a s ASN 115 Ca 0.33 -0.20 -0.12 0.00 -1.57 0.00 0.00 52.86 51.30 3i4a s ASN 115 Cb -0.08 -2.48 -0.05 0.00 -0.02 0.00 0.00 41.25 38.62 3i4a s ASN 115 CO 0.27 -1.34 0.21 -0.63 -2.57 0.00 0.00 177.10 173.04 3i4a s ILE 116 N 4.36 5.35 -0.17 0.60 1.01 -1.26 -0.55 121.20 130.53 3i4a s ILE 116 Ca 0.35 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.35 3i4a s ILE 116 Cb -0.11 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.85 3i4a s ILE 116 CO 0.21 0.39 -0.13 -0.69 0.00 0.00 0.00 174.94 174.72 3i4a s VAL 117 N 0.59 1.66 -0.06 2.92 1.01 0.14 -4.95 120.40 121.70 3i4a s VAL 117 Ca 0.12 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 3i4a s VAL 117 Cb -0.12 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3i4a s VAL 117 CO 0.02 0.34 0.37 -1.61 0.00 0.00 0.00 175.10 174.22 3i4a s GLU 118 N 1.42 4.01 -0.92 2.72 2.02 -1.26 -0.56 118.70 126.13 3i4a s GLU 118 Ca 0.02 0.31 -0.23 0.00 0.02 0.00 0.00 54.97 55.09 3i4a s GLU 118 Cb -0.14 -3.29 0.06 0.00 0.10 0.00 0.00 34.13 30.86 3i4a s GLU 118 CO -0.10 0.52 1.31 1.41 0.02 0.00 0.00 175.26 178.43 3i4a s MET 119 N -0.49 3.48 -0.11 1.61 -2.45 0.71 -4.82 119.30 117.22 3i4a s MET 119 Ca 0.22 -1.06 -0.08 0.00 -1.25 0.00 0.00 55.69 53.52 3i4a s MET 119 Cb -0.15 -4.96 -0.27 0.00 1.25 0.00 0.00 34.83 30.70 3i4a s MET 119 CO 0.10 -2.08 0.41 0.87 1.05 0.00 0.00 175.02 175.37 3i4a h LYS 120 N 9.63 0.27 -5.34 4.11 6.56 -1.94 -3.38 116.57 126.49 3i4a h LYS 120 Ca 0.06 -0.46 -0.74 0.00 -1.06 0.00 0.00 60.65 58.45 3i4a h LYS 120 Cb 1.03 0.17 0.03 0.00 -0.57 0.00 0.00 32.23 32.89 3i4a h LYS 120 CO 1.32 1.22 0.28 -3.47 -2.06 0.00 0.00 179.45 176.74 3i4a n ASP 121 N -3.56 0.43 0.08 0.86 4.64 -1.26 -4.84 116.55 112.91 3i4a n ASP 121 Ca -0.31 1.04 0.12 0.00 -1.38 0.00 0.00 54.79 54.27 3i4a n ASP 121 Cb 1.03 -0.80 0.46 0.00 -1.04 0.00 0.00 41.12 40.77 3i4a n ASP 121 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 3i4a n GLU 122 N 2.24 0.16 -0.32 -0.67 0.28 -1.26 -2.40 120.64 118.67 3i4a n GLU 122 Ca 0.22 0.24 0.08 0.00 -0.16 0.00 0.00 57.16 57.53 3i4a n GLU 122 Cb 0.02 -1.73 0.24 0.00 1.43 0.00 0.00 31.44 31.40 3i4a n GLU 122 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3i4a n ASN 123 N -2.03 3.59 -4.32 -1.84 3.02 -1.26 -4.88 115.26 107.53 3i4a n ASN 123 Ca 0.05 -2.17 -0.35 0.00 -0.03 0.00 0.00 54.58 52.08 3i4a n ASN 123 Cb 0.33 -0.39 -0.14 0.00 -0.61 0.00 0.00 39.78 38.97 3i4a n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4a s ALA 124 N -1.31 2.78 0.14 5.41 0.00 -1.01 -4.53 121.76 123.24 3i4a s ALA 124 Ca 0.36 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 51.32 3i4a s ALA 124 Cb 0.21 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3i4a s ALA 124 CO 0.21 -0.29 -0.26 0.95 0.00 0.00 0.00 175.76 176.37 3i4a s THR 125 N 1.24 2.26 -0.29 0.00 -4.23 -1.26 -4.76 115.64 108.61 3i4a s THR 125 Ca 0.03 -1.80 -0.15 0.00 -1.18 0.00 0.00 61.69 58.59 3i4a s THR 125 Cb -0.14 -2.01 0.10 0.00 1.34 0.00 0.00 72.50 71.79 3i4a s THR 125 CO -0.02 0.05 0.76 -0.22 -0.54 0.00 0.00 174.62 174.66 3i4a s LEU 126 N -2.16 -0.85 -0.16 4.79 0.20 0.22 -2.86 118.68 117.86 3i4a s LEU 126 Ca 0.15 1.33 -0.14 0.00 0.69 0.00 0.00 54.13 56.16 3i4a s LEU 126 Cb -0.10 2.20 -0.05 0.00 -0.43 0.00 0.00 46.19 47.82 3i4a s LEU 126 CO 0.07 -0.21 0.30 -1.81 -0.29 0.00 0.00 176.35 174.41 3i4a s ASP 127 N 1.74 6.45 0.54 3.68 1.11 -1.26 -3.47 116.67 125.46 3i4a s ASP 127 Ca -0.09 0.52 0.29 0.00 0.18 0.00 0.00 52.55 53.46 3i4a s ASP 127 Cb -0.05 -2.19 1.46 0.00 1.07 0.00 0.00 42.92 43.20 3i4a s ASP 127 CO -0.19 0.09 1.93 1.23 1.18 0.00 0.00 175.17 179.41 3i4a h GLY 128 N 6.67 0.00 -0.62 0.21 0.00 -1.02 -1.15 103.07 107.16 3i4a h GLY 128 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3i4a h GLY 128 CO 0.76 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.91 3i4a n GLY 129 N -1.68 0.06 0.44 4.60 0.00 -1.26 -2.28 105.19 105.06 3i4a n GLY 129 Ca 0.15 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3i4a n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i4a n ASP 130 N -0.14 1.80 -4.50 1.61 8.00 -0.43 -2.62 116.55 120.27 3i4a n ASP 130 Ca 0.03 -1.40 -0.40 0.00 0.71 0.00 0.00 54.79 53.73 3i4a n ASP 130 Cb 0.16 0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 3i4a n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i4a s VAL 131 N -1.67 5.07 -0.40 2.53 1.01 -0.97 -0.92 120.40 125.05 3i4a s VAL 131 Ca 0.14 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 3i4a s VAL 131 Cb 0.13 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.95 3i4a s VAL 131 CO 0.33 0.02 0.25 -0.22 0.00 0.00 0.00 175.10 175.48 3i4a s LEU 132 N 1.69 4.98 -0.24 3.92 2.96 0.46 -4.93 118.68 127.52 3i4a s LEU 132 Ca 0.06 -1.13 -0.18 0.00 -0.22 0.00 0.00 54.13 52.65 3i4a s LEU 132 Cb -0.17 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3i4a s LEU 132 CO 0.09 -0.46 0.54 0.12 -1.32 0.00 0.00 176.35 175.32 3i4a s PHE 133 N 1.56 3.31 -0.71 5.38 5.36 -1.26 -0.97 117.98 130.63 3i4a s PHE 133 Ca 0.03 0.72 0.24 0.00 -0.96 0.00 0.00 56.93 56.95 3i4a s PHE 133 Cb -0.21 -2.72 0.35 0.00 -0.34 0.00 0.00 43.02 40.11 3i4a s PHE 133 CO 0.06 -0.23 1.31 0.25 -1.46 0.00 0.00 175.22 175.16 3i4a n THR 134 N 4.95 0.26 0.00 0.12 -2.24 -0.49 -4.87 114.28 112.02 3i4a n THR 134 Ca -0.04 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3i4a n THR 134 Cb 0.50 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3i4a n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i4a n GLY 135 N 1.37 0.36 0.47 3.38 0.00 -1.26 -4.66 105.19 104.85 3i4a n GLY 135 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i4a n GLY 135 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i4a n ARG 136 N -1.70 0.00 0.00 1.61 1.85 -1.26 -5.11 116.66 112.05 3i4a n ARG 136 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 3i4a n ARG 136 Cb 0.00 -0.19 0.00 0.00 -1.05 0.00 0.00 32.46 31.22 3i4a n ARG 136 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3i4a n GLU 137 N 0.00 0.00 -4.08 2.89 2.13 -1.26 -4.62 120.64 115.69 3i4a n GLU 137 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 3i4a n GLU 137 Cb 0.57 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.22 3i4a n GLU 137 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3i4a s PHE 138 N -2.00 3.12 -0.14 4.31 0.40 0.15 -1.39 117.98 122.42 3i4a s PHE 138 Ca 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 3i4a s PHE 138 Cb 0.00 -1.55 0.02 0.00 0.51 0.00 0.00 43.02 42.00 3i4a s PHE 138 CO 0.00 0.51 -0.14 -0.06 0.70 0.00 0.00 175.22 176.24 3i4a s PHE 139 N -1.51 2.08 -0.07 0.36 0.40 -0.15 -1.97 117.98 117.12 3i4a s PHE 139 Ca 0.29 -1.13 -0.00 0.00 -0.60 0.00 0.00 56.93 55.49 3i4a s PHE 139 Cb -0.11 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 3i4a s PHE 139 CO 0.22 -0.63 -0.04 0.08 0.70 0.00 0.00 175.22 175.55 3i4a s VAL 140 N 1.42 3.97 -0.23 -0.44 1.01 0.83 -0.40 120.40 126.56 3i4a s VAL 140 Ca 0.03 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3i4a s VAL 140 Cb -0.13 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3i4a s VAL 140 CO -0.09 0.58 0.40 -0.83 0.00 0.00 0.00 175.10 175.16 3i4a s GLY 141 N -0.91 1.98 -0.67 4.51 0.00 -0.10 -0.40 107.32 111.73 3i4a s GLY 141 Ca 0.13 -0.65 -0.27 0.00 0.00 0.00 0.00 44.72 43.93 3i4a s GLY 141 CO 0.03 0.93 1.23 1.08 0.00 0.00 0.00 173.10 176.37 3i4a s LEU 142 N 1.72 3.32 0.00 0.66 1.43 -0.10 -4.55 118.68 121.15 3i4a s LEU 142 Ca 0.18 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 3i4a s LEU 142 Cb -0.15 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.25 3i4a s LEU 142 CO 0.09 -1.67 0.00 -1.54 0.23 0.00 0.00 176.35 173.45 3i4a n SER 143 N 8.93 0.98 0.27 2.29 3.41 -0.23 -1.97 113.62 127.30 3i4a n SER 143 Ca 0.05 -0.39 0.15 0.00 -0.26 0.00 0.00 58.87 58.43 3i4a n SER 143 Cb 0.49 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.16 3i4a n SER 143 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3i4a h LYS 144 N 0.00 0.00 0.00 4.33 1.57 -1.84 -3.28 116.57 117.35 3i4a h LYS 144 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 3i4a h LYS 144 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3i4a h LYS 144 CO 0.00 0.09 -2.37 0.54 -0.57 0.00 0.00 179.45 177.14 3i4a n ARG 145 N -3.33 0.76 -5.14 3.15 5.12 -1.26 -4.92 116.66 111.03 3i4a n ARG 145 Ca -0.01 0.02 -0.30 0.00 -1.93 0.00 0.00 57.85 55.63 3i4a n ARG 145 Cb 0.28 -1.51 -0.16 0.00 -1.16 0.00 0.00 32.46 29.91 3i4a n ARG 145 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3i4a s THR 146 N -2.48 1.86 0.39 0.55 2.01 -1.24 -3.24 115.64 113.50 3i4a s THR 146 Ca -0.14 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 60.91 3i4a s THR 146 Cb 0.06 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 3i4a s THR 146 CO 0.76 0.52 0.08 -0.46 -0.69 0.00 0.00 174.62 174.84 3i4a n ASN 147 N 2.95 1.93 -0.18 3.53 0.23 -1.13 -1.07 115.26 121.51 3i4a n ASN 147 Ca -0.17 -2.94 -0.01 0.00 -0.53 0.00 0.00 54.58 50.93 3i4a n ASN 147 Cb 0.52 0.70 0.09 0.00 -2.08 0.00 0.00 39.78 39.01 3i4a n ASN 147 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3i4a h GLN 148 N 0.00 0.20 -0.38 -3.83 5.75 -1.93 -2.45 115.11 112.47 3i4a h GLN 148 Ca -0.31 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.01 3i4a h GLN 148 Cb 1.09 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 3i4a h GLN 148 CO 0.51 0.13 -0.39 -0.09 -2.65 0.00 0.00 178.83 176.34 3i4a h ARG 149 N 0.21 0.94 -0.23 1.69 9.65 -1.89 -1.41 114.38 123.35 3i4a h ARG 149 Ca 0.29 -0.50 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 3i4a h ARG 149 Cb 0.42 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 3i4a h ARG 149 CO -0.40 1.16 0.08 0.78 2.80 0.00 0.00 179.97 184.39 3i4a h GLY 150 N 0.77 0.37 0.90 2.80 0.00 -1.58 -2.26 103.07 104.07 3i4a h GLY 150 Ca 0.06 -0.21 0.11 0.00 0.00 0.00 0.00 47.33 47.29 3i4a h GLY 150 CO 0.10 0.20 0.46 0.00 0.00 0.00 0.00 176.54 177.30 3i4a h ALA 151 N 0.91 1.96 -0.63 3.60 0.00 -1.40 -1.59 119.26 122.10 3i4a h ALA 151 Ca 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3i4a h ALA 151 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i4a h ALA 151 CO -0.00 -0.11 0.06 0.93 0.00 0.00 0.00 179.25 180.12 3i4a h GLU 152 N 0.51 1.07 0.00 0.00 5.08 -0.85 -2.43 114.58 117.97 3i4a h GLU 152 Ca 0.32 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3i4a h GLU 152 Cb 0.58 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3i4a h GLU 152 CO -0.11 1.01 -0.64 0.82 -1.00 0.00 0.00 179.01 179.09 3i4a h ILE 153 N 0.99 1.35 0.00 3.13 2.04 -0.79 -2.65 117.51 121.58 3i4a h ILE 153 Ca 0.19 -2.28 -0.12 0.00 1.00 0.00 0.00 64.86 63.65 3i4a h ILE 153 Cb 0.49 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 3i4a h ILE 153 CO 0.02 0.63 -0.57 0.25 0.00 0.00 0.00 178.15 178.48 3i4a h LEU 154 N 0.00 0.00 -0.36 1.44 6.46 -1.13 -2.26 115.31 119.46 3i4a h LEU 154 Ca -0.01 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.57 3i4a h LEU 154 Cb 1.22 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.15 3i4a h LEU 154 CO 0.08 0.57 -0.56 0.00 -0.62 0.00 0.00 178.44 177.91 3i4a h ALA 155 N 1.43 0.53 0.00 1.25 0.00 -1.29 -3.01 119.26 118.17 3i4a h ALA 155 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3i4a h ALA 155 Cb 1.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i4a h ALA 155 CO 0.07 0.68 -0.14 0.22 0.00 0.00 0.00 179.25 180.09 3i4a h ASP 156 N 0.60 0.00 0.15 0.00 1.82 -1.28 -3.25 116.42 114.45 3i4a h ASP 156 Ca 0.01 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.40 3i4a h ASP 156 Cb 1.15 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.17 3i4a h ASP 156 CO 0.12 0.14 -1.17 0.74 -1.61 0.00 0.00 179.24 177.46 3i4a h THR 157 N 0.00 1.27 -3.61 2.25 2.02 -1.33 -3.39 112.91 110.11 3i4a h THR 157 Ca -0.00 -2.50 -0.72 0.00 0.77 0.00 0.00 66.41 63.96 3i4a h THR 157 Cb 0.51 2.97 -0.33 0.00 -1.74 0.00 0.00 68.15 69.56 3i4a h THR 157 CO 0.02 0.73 -0.24 -0.36 0.37 0.00 0.00 175.52 176.04 3i4a s PHE 158 N -2.47 3.50 -1.60 3.16 0.40 -1.15 -4.87 117.98 114.96 3i4a s PHE 158 Ca -0.16 -2.50 0.27 0.00 -0.60 0.00 0.00 56.93 53.94 3i4a s PHE 158 Cb 0.03 -3.37 0.89 0.00 0.51 0.00 0.00 43.02 41.07 3i4a s PHE 158 CO 0.82 -0.88 1.65 1.63 0.70 0.00 0.00 175.22 179.14 3i4a n LYS 159 N 3.65 0.65 0.00 0.44 5.02 -1.25 -3.38 118.16 123.29 3i4a n LYS 159 Ca 0.09 -0.33 0.15 0.00 -2.02 0.00 0.00 58.31 56.20 3i4a n LYS 159 Cb 0.40 -1.49 0.85 0.00 -0.02 0.00 0.00 35.03 34.77 3i4a n LYS 159 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i4a n ASP 160 N -0.88 0.00 -4.08 4.39 10.43 -1.26 -4.85 116.55 120.30 3i4a n ASP 160 Ca 0.12 -0.71 -0.12 0.00 2.57 0.00 0.00 54.79 56.65 3i4a n ASP 160 Cb 0.32 -0.08 -0.11 0.00 1.84 0.00 0.00 41.12 43.09 3i4a n ASP 160 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3i4a s TYR 161 N -2.17 0.68 0.15 1.24 1.51 -1.22 -5.02 117.35 112.52 3i4a s TYR 161 Ca 0.40 -0.61 -0.19 0.00 -1.01 0.00 0.00 57.07 55.67 3i4a s TYR 161 Cb 0.20 -0.41 -0.07 0.00 -0.11 0.00 0.00 41.96 41.57 3i4a s TYR 161 CO 0.38 -0.12 0.64 0.00 -1.11 0.00 0.00 175.55 175.34 3i4a s ALA 162 N -1.96 3.51 -0.22 3.71 0.00 -1.26 -4.94 121.76 120.61 3i4a s ALA 162 Ca -0.05 0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.99 3i4a s ALA 162 Cb -0.06 -2.70 0.04 0.00 0.00 0.00 0.00 23.12 20.40 3i4a s ALA 162 CO -0.01 0.38 -0.13 0.08 0.00 0.00 0.00 175.76 176.08 3i4a s VAL 163 N -1.35 1.95 0.18 0.00 1.01 -1.26 -0.67 120.40 120.26 3i4a s VAL 163 Ca 0.37 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3i4a s VAL 163 Cb -0.18 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3i4a s VAL 163 CO 0.20 0.18 0.21 -0.44 0.00 0.00 0.00 175.10 175.26 3i4a s SER 164 N 1.25 5.85 0.22 3.32 0.01 -0.83 -4.99 113.70 118.52 3i4a s SER 164 Ca -0.03 -0.04 0.10 0.00 1.31 0.00 0.00 55.95 57.29 3i4a s SER 164 Cb -0.17 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 3i4a s SER 164 CO -0.08 0.03 -0.09 0.42 0.41 0.00 0.00 173.24 173.93 3i4a s THR 165 N -1.84 3.13 -0.17 1.44 -4.23 -1.26 -0.12 115.64 112.60 3i4a s THR 165 Ca 0.33 -1.83 -0.09 0.00 -1.18 0.00 0.00 61.69 58.92 3i4a s THR 165 Cb -0.10 -2.59 0.06 0.00 1.34 0.00 0.00 72.50 71.21 3i4a s THR 165 CO 0.26 -0.21 0.39 0.54 -0.54 0.00 0.00 174.62 175.06 3i4a s VAL 166 N -1.96 -0.09 0.23 2.29 0.11 0.47 -4.88 120.40 116.57 3i4a s VAL 166 Ca 0.27 0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 59.12 3i4a s VAL 166 Cb -0.08 -0.59 -0.15 0.00 -1.53 0.00 0.00 36.38 34.04 3i4a s VAL 166 CO 0.16 0.04 1.17 -0.81 -3.33 0.00 0.00 175.10 172.33 3i4a n PRO 167 N 4.39 1.44 -4.71 1.54 -0.04 -1.26 -0.93 135.00 135.42 3i4a n PRO 167 Ca -0.22 0.51 -0.28 0.00 -0.04 0.00 0.00 63.50 63.47 3i4a n PRO 167 Cb 0.54 -2.00 -0.17 0.00 -0.04 0.00 0.00 33.50 31.84 3i4a n PRO 167 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i4a s VAL 168 N -0.47 1.57 -0.76 0.52 1.01 -0.83 -4.81 120.40 116.63 3i4a s VAL 168 Ca 0.67 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 3i4a s VAL 168 Cb -0.75 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3i4a s VAL 168 CO 0.54 0.45 1.89 0.00 0.00 0.00 0.00 175.10 177.99 3i4a s ALA 169 N 0.71 1.93 0.00 5.51 0.00 -1.26 -4.66 121.76 123.99 3i4a s ALA 169 Ca -0.12 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3i4a s ALA 169 Cb -0.16 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.53 3i4a s ALA 169 CO 0.03 -4.34 0.00 -0.40 0.00 0.00 0.00 175.76 171.05 3i4a n ASP 170 N 13.28 0.00 -1.92 0.00 5.68 -1.26 -3.56 116.55 128.77 3i4a n ASP 170 Ca 0.30 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.40 3i4a n ASP 170 Cb 0.50 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.57 3i4a n ASP 170 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i4a n GLY 171 N 0.00 4.14 3.61 6.12 0.00 -1.26 -4.32 105.19 113.48 3i4a n GLY 171 Ca 0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 3i4a n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4a s LEU 172 N -2.35 2.94 0.18 0.99 1.43 -1.23 -4.92 118.68 115.72 3i4a s LEU 172 Ca 0.40 -1.01 0.10 0.00 -1.03 0.00 0.00 54.13 52.60 3i4a s LEU 172 Cb 0.33 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 3i4a s LEU 172 CO 0.04 -0.21 -0.22 -1.00 0.23 0.00 0.00 176.35 175.18 3i4a s HIS 173 N -2.52 2.12 0.24 0.29 3.76 -1.26 -4.70 115.29 113.22 3i4a s HIS 173 Ca 0.34 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.72 3i4a s HIS 173 Cb -0.00 -1.05 0.32 0.00 1.11 0.00 0.00 32.58 32.95 3i4a s HIS 173 CO 0.19 0.44 1.57 1.25 -0.85 0.00 0.00 174.74 177.33 3i4a h LEU 174 N 3.23 -1.13 -2.12 0.89 5.85 -1.80 0.48 115.31 120.71 3i4a h LEU 174 Ca -0.45 0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 3i4a h LEU 174 Cb 1.21 0.65 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 3i4a h LEU 174 CO 0.49 -0.30 0.09 0.29 -0.34 0.00 0.00 178.44 178.67 3i4a n LYS 175 N -5.53 1.55 0.05 1.25 5.02 -1.08 -2.89 118.16 116.53 3i4a n LYS 175 Ca 0.12 -0.72 0.13 0.00 -2.02 0.00 0.00 58.31 55.82 3i4a n LYS 175 Cb 0.43 -1.44 0.33 0.00 -0.02 0.00 0.00 35.03 34.33 3i4a n LYS 175 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i4a n SER 176 N 0.13 0.58 -0.17 4.39 7.64 0.17 -4.18 113.62 122.17 3i4a n SER 176 Ca 0.11 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.25 3i4a n SER 176 Cb 0.65 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3i4a n SER 176 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3i4a n PHE 177 N -1.95 0.00 -3.90 1.43 1.16 -1.14 -3.68 117.46 109.38 3i4a n PHE 177 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.55 3i4a n PHE 177 Cb 0.40 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.24 3i4a n PHE 177 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i4a n SER 179 N -0.44 0.00 -4.66 0.00 3.41 -1.05 -4.31 113.62 106.58 3i4a n SER 179 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 3i4a n SER 179 Cb 0.60 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 3i4a n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i4a s MET 180 N -2.00 4.24 0.00 4.33 -1.94 -1.26 -0.43 119.30 122.24 3i4a s MET 180 Ca 0.00 1.68 0.24 0.00 -1.71 0.00 0.00 55.69 55.90 3i4a s MET 180 Cb 0.00 -3.75 0.22 0.00 2.01 0.00 0.00 34.83 33.31 3i4a s MET 180 CO 0.00 -0.69 1.23 0.00 -0.01 0.00 0.00 175.02 175.55 3i4a n ALA 181 N 6.49 3.59 0.00 3.03 0.00 0.39 -3.86 120.51 130.16 3i4a n ALA 181 Ca 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3i4a n ALA 181 Cb 0.45 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3i4a n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4a n GLY 182 N 1.41 -1.47 3.70 0.00 0.00 -1.11 -4.89 105.19 102.83 3i4a n GLY 182 Ca 0.09 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3i4a n GLY 182 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i4a s PRO 183 N -1.56 4.17 -1.40 1.61 0.04 -1.26 -2.26 135.00 134.34 3i4a s PRO 183 Ca 0.00 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3i4a s PRO 183 Cb 0.00 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.14 3i4a s PRO 183 CO 0.00 -0.74 0.00 -1.71 0.04 0.00 0.00 177.00 174.59 3i4a n ASN 184 N 4.97 -5.06 -4.08 6.66 4.05 -1.26 -4.94 115.26 115.60 3i4a n ASN 184 Ca 0.16 0.33 -0.33 0.00 0.45 0.00 0.00 54.58 55.19 3i4a n ASN 184 Cb 0.38 -4.04 -0.15 0.00 1.23 0.00 0.00 39.78 37.20 3i4a n ASN 184 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3i4a s LEU 185 N -3.15 3.87 -0.24 1.20 2.96 -0.96 0.02 118.68 122.39 3i4a s LEU 185 Ca 0.00 -1.55 -0.14 0.00 -0.22 0.00 0.00 54.13 52.22 3i4a s LEU 185 Cb 0.00 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3i4a s LEU 185 CO 0.00 -0.26 0.30 -0.63 -1.32 0.00 0.00 176.35 174.45 3i4a s ILE 186 N 1.09 5.25 -0.09 6.68 1.01 -0.63 -0.46 121.20 134.06 3i4a s ILE 186 Ca -0.04 0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 3i4a s ILE 186 Cb -0.20 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3i4a s ILE 186 CO -0.05 0.26 0.94 0.00 0.00 0.00 0.00 174.94 176.09 3i4a s ALA 187 N 1.45 3.36 0.02 9.38 0.00 0.43 -0.08 121.76 136.31 3i4a s ALA 187 Ca 0.14 0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 3i4a s ALA 187 Cb -0.15 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3i4a s ALA 187 CO 0.08 -0.48 -0.02 -1.50 0.00 0.00 0.00 175.76 173.84 3i4a s ILE 188 N 1.69 0.08 0.04 0.00 1.10 0.19 -2.53 121.20 121.78 3i4a s ILE 188 Ca 0.47 -0.70 -0.01 0.00 -0.51 0.00 0.00 60.65 59.90 3i4a s ILE 188 Cb -0.19 -0.20 0.01 0.00 0.15 0.00 0.00 42.46 42.23 3i4a s ILE 188 CO 0.19 -0.38 0.05 0.61 -2.11 0.00 0.00 174.94 173.31 3i4a n GLY 189 N 1.94 -1.31 0.00 1.50 0.00 -0.91 -1.49 105.19 104.92 3i4a n GLY 189 Ca -0.21 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.17 3i4a n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i4a n SER 190 N -3.04 1.70 -4.75 1.61 7.64 -1.24 -4.51 113.62 111.03 3i4a n SER 190 Ca 0.01 -0.35 -0.31 0.00 1.01 0.00 0.00 58.87 59.23 3i4a n SER 190 Cb 0.02 1.03 0.11 0.00 -1.01 0.00 0.00 64.21 64.36 3i4a n SER 190 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i4a s SER 191 N -1.56 4.17 0.50 6.43 1.04 -1.26 -4.76 113.70 118.25 3i4a s SER 191 Ca 0.00 1.90 0.21 0.00 0.48 0.00 0.00 55.95 58.55 3i4a s SER 191 Cb 0.01 -2.53 1.29 0.00 0.10 0.00 0.00 66.02 64.89 3i4a s SER 191 CO 0.08 -2.26 2.01 1.05 0.98 0.00 0.00 173.24 175.10 3i4a h GLU 192 N -1.28 0.10 0.48 4.02 -0.00 -1.97 0.02 114.58 115.96 3i4a h GLU 192 Ca -0.43 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 58.90 3i4a h GLU 192 Cb 1.24 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 3i4a h GLU 192 CO 0.49 0.07 -0.23 0.66 -0.00 0.00 0.00 179.01 180.00 3i4a h SER 193 N 0.11 -0.55 -0.99 3.06 4.64 -1.99 0.13 113.55 117.97 3i4a h SER 193 Ca 0.23 0.02 0.25 0.00 -0.47 0.00 0.00 61.79 61.83 3i4a h SER 193 Cb 0.79 0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 62.89 3i4a h SER 193 CO -0.02 -0.13 0.56 0.00 -0.87 0.00 0.00 176.83 176.36 3i4a h ALA 194 N -1.19 1.76 -0.00 5.18 0.00 -1.83 0.44 119.26 123.62 3i4a h ALA 194 Ca -0.07 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 3i4a h ALA 194 Cb 0.49 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3i4a h ALA 194 CO 0.11 -0.33 -0.83 1.96 0.00 0.00 0.00 179.25 180.16 3i4a h GLN 195 N 0.51 0.13 0.13 0.00 1.08 -0.99 -3.00 115.11 112.97 3i4a h GLN 195 Ca 0.65 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.72 3i4a h GLN 195 Cb 1.27 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.72 3i4a h GLN 195 CO -0.51 0.88 -0.15 0.87 -0.95 0.00 0.00 178.83 178.98 3i4a h LYS 196 N 0.07 -0.30 -0.32 1.46 6.56 0.15 -2.92 116.57 121.27 3i4a h LYS 196 Ca -0.03 0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3i4a h LYS 196 Cb 1.45 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 33.16 3i4a h LYS 196 CO 0.12 -0.20 0.19 0.00 -2.06 0.00 0.00 179.45 177.50 3i4a h ALA 197 N 0.52 1.75 -0.26 3.86 0.00 -1.37 -2.71 119.26 121.04 3i4a h ALA 197 Ca 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3i4a h ALA 197 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i4a h ALA 197 CO -0.05 0.23 -0.22 1.25 0.00 0.00 0.00 179.25 180.46 3i4a h LEU 198 N 0.43 0.64 -0.09 0.00 5.85 -1.40 0.90 115.31 121.63 3i4a h LEU 198 Ca 0.12 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.39 3i4a h LEU 198 Cb -0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3i4a h LEU 198 CO -0.02 0.96 0.03 0.11 -0.34 0.00 0.00 178.44 179.18 3i4a h LYS 199 N 0.32 0.08 0.13 1.25 6.56 -1.38 0.41 116.57 123.93 3i4a h LYS 199 Ca 0.05 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.65 3i4a h LYS 199 Cb 0.77 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.37 3i4a h LYS 199 CO 0.06 0.05 -0.30 0.82 -2.06 0.00 0.00 179.45 178.02 3i4a h ILE 200 N 0.08 0.36 0.11 1.86 2.04 -1.39 0.17 117.51 120.73 3i4a h ILE 200 Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3i4a h ILE 200 Cb 0.02 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 3i4a h ILE 200 CO -0.04 0.00 -0.46 0.24 0.00 0.00 0.00 178.15 177.89 3i4a h MET 201 N -0.52 -0.66 -0.70 2.37 2.86 -0.71 -2.33 114.93 115.23 3i4a h MET 201 Ca 0.03 0.04 0.15 0.00 -2.06 0.00 0.00 59.70 57.87 3i4a h MET 201 Cb 0.55 0.15 -0.11 0.00 0.06 0.00 0.00 31.60 32.24 3i4a h MET 201 CO -0.17 -0.44 0.09 1.96 1.06 0.00 0.00 176.91 179.42 3i4a h GLN 202 N -0.68 0.19 0.00 1.72 1.08 0.24 -1.80 115.11 115.85 3i4a h GLN 202 Ca 0.02 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i4a h GLN 202 Cb 0.71 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 3i4a h GLN 202 CO -0.27 0.12 0.00 1.04 -0.95 0.00 0.00 178.83 178.77 3i4a n GLN 203 N -5.23 0.15 0.06 1.46 6.02 0.56 -2.72 117.38 117.67 3i4a n GLN 203 Ca 0.13 0.17 0.11 0.00 -0.01 0.00 0.00 57.00 57.40 3i4a n GLN 203 Cb 0.43 -1.69 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 3i4a n GLN 203 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3i4a n MET 204 N -1.95 0.54 -2.91 -1.09 2.81 -0.71 -4.94 117.12 108.87 3i4a n MET 204 Ca 0.05 0.01 -0.34 0.00 -1.81 0.00 0.00 57.70 55.61 3i4a n MET 204 Cb 0.36 -1.69 -0.07 0.00 -0.71 0.00 0.00 33.22 31.11 3i4a n MET 204 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3i4a s SER 205 N -4.79 7.01 -0.13 7.83 0.15 -1.02 -4.95 113.70 117.81 3i4a s SER 205 Ca -0.01 1.60 0.05 0.00 0.70 0.00 0.00 55.95 58.29 3i4a s SER 205 Cb 0.12 -2.50 0.32 0.00 -1.71 0.00 0.00 66.02 62.25 3i4a s SER 205 CO 0.82 -0.21 1.13 0.47 1.20 0.00 0.00 173.24 176.66 3i4a n ASP 206 N -0.13 3.09 -3.58 5.45 8.00 -1.26 -4.73 116.55 123.38 3i4a n ASP 206 Ca 0.04 -2.48 -0.02 0.00 0.71 0.00 0.00 54.79 53.05 3i4a n ASP 206 Cb 0.53 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 3i4a n ASP 206 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i4a s HIS 207 N -1.63 -0.99 0.07 1.24 5.65 -1.26 -5.15 115.29 113.22 3i4a s HIS 207 Ca 0.23 1.81 -0.30 0.00 0.25 0.00 0.00 55.06 57.04 3i4a s HIS 207 Cb 0.18 0.60 -0.05 0.00 -1.18 0.00 0.00 32.58 32.13 3i4a s HIS 207 CO 0.06 -0.49 1.07 0.50 -0.65 0.00 0.00 174.74 175.23 3i4a s ARG 208 N 2.27 4.54 0.52 2.88 3.52 -1.26 -5.00 118.95 126.42 3i4a s ARG 208 Ca -0.06 1.60 -0.05 0.00 -0.13 0.00 0.00 55.73 57.08 3i4a s ARG 208 Cb -0.08 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3i4a s ARG 208 CO -0.18 -0.06 0.83 0.71 -0.81 0.00 0.00 175.30 175.78 3i4a s TYR 209 N 0.67 3.45 0.59 5.12 1.51 -1.26 -5.09 117.35 122.34 3i4a s TYR 209 Ca 0.53 0.74 -0.06 0.00 -1.01 0.00 0.00 57.07 57.27 3i4a s TYR 209 Cb -0.26 -2.46 0.01 0.00 -0.11 0.00 0.00 41.96 39.14 3i4a s TYR 209 CO 0.30 -0.48 0.91 -0.51 -1.11 0.00 0.00 175.55 174.66 3i4a s ASP 210 N -4.18 5.64 0.00 2.29 1.11 0.10 -4.98 116.67 116.65 3i4a s ASP 210 Ca 0.50 0.77 -0.01 0.00 0.18 0.00 0.00 52.55 53.99 3i4a s ASP 210 Cb -0.10 -1.77 -0.01 0.00 1.07 0.00 0.00 42.92 42.11 3i4a s ASP 210 CO 0.45 -1.05 0.01 -1.59 1.18 0.00 0.00 175.17 174.17 3i4a s LYS 211 N -5.01 0.16 -0.29 8.23 -2.85 -1.26 -1.60 119.74 117.12 3i4a s LYS 211 Ca 0.54 -0.22 -0.07 0.00 -1.00 0.00 0.00 55.97 55.22 3i4a s LYS 211 Cb -0.11 0.06 0.01 0.00 -2.06 0.00 0.00 37.83 35.73 3i4a s LYS 211 CO 0.46 -0.03 0.08 -1.17 0.10 0.00 0.00 175.35 174.79 3i4a s LEU 212 N -0.60 3.82 -0.30 2.77 2.96 0.88 -4.90 118.68 123.31 3i4a s LEU 212 Ca -0.07 -0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 53.01 3i4a s LEU 212 Cb -0.04 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 3i4a s LEU 212 CO -0.00 -0.18 0.42 -0.89 -1.32 0.00 0.00 176.35 174.37 3i4a s THR 213 N 1.51 5.13 0.02 3.68 2.01 -1.26 0.55 115.64 127.28 3i4a s THR 213 Ca 0.03 0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.51 3i4a s THR 213 Cb -0.17 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3i4a s THR 213 CO 0.02 0.02 -0.02 0.68 -0.69 0.00 0.00 174.62 174.63 3i4a s VAL 214 N 2.16 3.94 -0.92 3.82 -7.23 -0.56 -4.97 120.40 116.64 3i4a s VAL 214 Ca 0.16 -0.75 0.08 0.00 -1.81 0.00 0.00 61.98 59.66 3i4a s VAL 214 Cb -0.16 -2.77 0.07 0.00 0.56 0.00 0.00 36.38 34.08 3i4a s VAL 214 CO 0.11 0.33 1.25 -2.65 -0.31 0.00 0.00 175.10 173.82 3i4a n PRO 215 N 1.27 0.02 -3.89 4.82 -0.02 -1.26 -3.72 135.00 132.22 3i4a n PRO 215 Ca -0.14 0.41 -0.28 0.00 -2.02 0.00 0.00 63.50 61.47 3i4a n PRO 215 Cb 0.52 -1.55 -0.16 0.00 -0.02 0.00 0.00 33.50 32.29 3i4a n PRO 215 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i4a s ASP 216 N -3.13 2.97 0.27 2.55 1.11 -1.26 -4.70 116.67 114.49 3i4a s ASP 216 Ca 0.03 -0.74 0.01 0.00 0.18 0.00 0.00 52.55 52.03 3i4a s ASP 216 Cb 0.04 -0.94 0.63 0.00 1.07 0.00 0.00 42.92 43.72 3i4a s ASP 216 CO 0.13 -0.19 1.70 0.44 1.18 0.00 0.00 175.17 178.43 3i4a h ASP 217 N 8.10 0.28 -0.68 0.27 5.19 -1.89 -0.82 116.42 126.88 3i4a h ASP 217 Ca -0.23 0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 3i4a h ASP 217 Cb 1.11 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.71 3i4a h ASP 217 CO 0.40 0.03 0.27 0.40 -3.12 0.00 0.00 179.24 177.22 3i4a h ILE 218 N 0.41 1.24 0.00 0.35 1.08 -1.94 -2.40 117.51 116.25 3i4a h ILE 218 Ca 0.51 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3i4a h ILE 218 Cb 0.91 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 3i4a h ILE 218 CO -0.50 0.31 0.00 0.00 -0.69 0.00 0.00 178.15 177.27 3i4a n ALA 219 N -2.44 1.88 0.29 1.87 0.00 -0.34 -2.09 120.51 119.68 3i4a n ALA 219 Ca 0.06 -0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.59 3i4a n ALA 219 Cb 0.18 -1.30 0.55 0.00 0.00 0.00 0.00 19.45 18.88 3i4a n ALA 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4a h ALA 220 N 2.70 1.00 -2.26 0.00 0.00 -1.10 -3.42 119.26 116.18 3i4a h ALA 220 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3i4a h ALA 220 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3i4a h ALA 220 CO 0.00 0.00 0.56 1.21 0.00 0.00 0.00 179.25 181.02 3i4a s ASN 221 N -5.63 7.15 0.21 0.00 3.84 -0.89 -3.51 114.94 116.12 3i4a s ASN 221 Ca 0.03 1.42 -0.15 0.00 0.21 0.00 0.00 52.86 54.37 3i4a s ASN 221 Cb 0.08 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.27 3i4a s ASN 221 CO 0.56 -0.47 0.50 0.00 -2.79 0.00 0.00 177.10 174.89 3i4a s ILE 223 N -3.93 3.12 -0.15 0.00 1.01 -0.88 -4.65 121.20 115.72 3i4a s ILE 223 Ca 0.14 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 3i4a s ILE 223 Cb -0.01 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3i4a s ILE 223 CO 0.02 0.45 0.11 -0.47 0.00 0.00 0.00 174.94 175.05 3i4a s TYR 224 N 1.39 3.45 0.10 3.97 5.04 -1.25 -0.72 117.35 129.32 3i4a s TYR 224 Ca 0.05 0.37 0.03 0.00 -2.44 0.00 0.00 57.07 55.07 3i4a s TYR 224 Cb -0.14 -2.02 -0.04 0.00 0.35 0.00 0.00 41.96 40.11 3i4a s TYR 224 CO -0.05 0.48 -0.08 -0.51 -1.34 0.00 0.00 175.55 174.06 3i4a s LEU 225 N -0.37 2.47 -0.41 6.97 1.43 0.11 -4.86 118.68 124.03 3i4a s LEU 225 Ca 0.11 -0.92 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 3i4a s LEU 225 Cb -0.12 -0.18 0.11 0.00 0.03 0.00 0.00 46.19 46.03 3i4a s LEU 225 CO 0.01 -0.37 0.14 0.21 0.23 0.00 0.00 176.35 176.57 3i4a s ASN 226 N -2.79 4.64 -0.06 2.29 3.84 0.91 -1.36 114.94 122.42 3i4a s ASN 226 Ca 0.09 -2.46 -0.16 0.00 0.21 0.00 0.00 52.86 50.54 3i4a s ASN 226 Cb 0.01 -1.65 -0.05 0.00 -0.55 0.00 0.00 41.25 39.02 3i4a s ASN 226 CO -0.02 -0.34 0.44 -0.63 -2.79 0.00 0.00 177.10 173.76 3i4a s ILE 227 N 0.48 5.09 0.24 -5.21 -1.09 -1.06 -4.45 121.20 115.21 3i4a s ILE 227 Ca 0.13 0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 59.13 3i4a s ILE 227 Cb -0.22 -3.77 -0.13 0.00 -1.58 0.00 0.00 42.46 36.77 3i4a s ILE 227 CO -0.05 0.45 1.50 -2.65 -1.23 0.00 0.00 174.94 172.97 3i4a n PRO 228 N 2.74 2.26 -3.49 2.79 -0.02 -1.26 -1.42 135.00 136.60 3i4a n PRO 228 Ca -0.11 0.81 -0.18 0.00 -2.02 0.00 0.00 63.50 62.00 3i4a n PRO 228 Cb 0.52 -2.53 0.07 0.00 -0.02 0.00 0.00 33.50 31.55 3i4a n PRO 228 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i4a n ASN 229 N 2.49 -2.06 0.09 2.55 5.03 -1.26 -4.78 115.26 117.31 3i4a n ASN 229 Ca 0.12 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.89 3i4a n ASN 229 Cb 0.32 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.22 3i4a n ASN 229 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i4a n LYS 230 N -4.12 0.00 0.00 3.52 5.02 -0.90 -5.14 118.16 116.53 3i4a n LYS 230 Ca -0.28 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 3i4a n LYS 230 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 3i4a n LYS 230 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i4a n GLY 231 N -1.49 0.70 3.57 0.72 0.00 -0.51 -4.88 105.19 103.31 3i4a n GLY 231 Ca 0.00 -0.82 -0.46 0.00 0.00 0.00 0.00 46.02 44.74 3i4a n GLY 231 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i4a n HIS 232 N 9.14 1.94 -4.68 1.61 8.25 -1.26 -2.55 115.22 127.67 3i4a n HIS 232 Ca 0.00 -0.03 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 3i4a n HIS 232 Cb 0.00 -2.68 -0.17 0.00 1.12 0.00 0.00 29.99 28.27 3i4a n HIS 232 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i4a s VAL 233 N 7.37 1.53 -0.12 1.59 1.01 -0.46 0.51 120.40 131.83 3i4a s VAL 233 Ca 1.02 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3i4a s VAL 233 Cb -0.52 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3i4a s VAL 233 CO 0.41 0.45 -0.03 -0.22 0.00 0.00 0.00 175.10 175.71 3i4a s LEU 234 N 0.74 1.03 -0.36 3.92 0.20 0.04 0.09 118.68 124.33 3i4a s LEU 234 Ca -0.12 -0.35 -0.24 0.00 0.69 0.00 0.00 54.13 54.11 3i4a s LEU 234 Cb -0.16 -0.66 0.01 0.00 -0.43 0.00 0.00 46.19 44.95 3i4a s LEU 234 CO 0.02 -0.19 0.82 -0.76 -0.29 0.00 0.00 176.35 175.96 3i4a s LEU 235 N 1.82 4.09 0.22 -0.68 1.02 0.10 -1.42 118.68 123.84 3i4a s LEU 235 Ca 0.03 0.45 0.06 0.00 0.02 0.00 0.00 54.13 54.70 3i4a s LEU 235 Cb -0.14 -3.09 -0.05 0.00 0.02 0.00 0.00 46.19 42.94 3i4a s LEU 235 CO -0.07 -0.74 -0.09 -1.38 0.02 0.00 0.00 176.35 174.09 3i4a s HIS 236 N 3.16 1.69 1.43 0.29 -3.43 -0.75 -2.07 115.29 115.61 3i4a s HIS 236 Ca 0.33 -0.70 -0.24 0.00 -0.80 0.00 0.00 55.06 53.65 3i4a s HIS 236 Cb -0.13 -0.89 0.37 0.00 -1.43 0.00 0.00 32.58 30.50 3i4a s HIS 236 CO 0.17 0.22 0.92 0.54 -2.00 0.00 0.00 174.74 174.59 3i4a n ARG 237 N -0.42 -4.55 -3.01 -0.38 5.12 -1.26 0.57 116.66 112.74 3i4a n ARG 237 Ca -0.07 -1.52 -0.26 0.00 -1.93 0.00 0.00 57.85 54.06 3i4a n ARG 237 Cb 0.62 -1.85 -0.01 0.00 -1.16 0.00 0.00 32.46 30.06 3i4a n ARG 237 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3i4a s THR 238 N -2.29 4.99 0.18 0.55 -4.23 -1.26 -4.28 115.64 109.30 3i4a s THR 238 Ca 0.68 -0.06 0.30 0.00 -1.18 0.00 0.00 61.69 61.43 3i4a s THR 238 Cb -0.11 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.21 3i4a s THR 238 CO 0.56 -0.67 1.96 1.55 -0.54 0.00 0.00 174.62 177.48 3i4a h PRO 239 N 0.61 0.00 -0.11 3.99 0.13 -1.90 0.19 132.00 134.91 3i4a h PRO 239 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3i4a h PRO 239 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3i4a h PRO 239 CO 0.62 0.10 -0.16 1.49 -0.23 0.00 0.00 178.00 179.81 3i4a h GLU 240 N 0.00 0.17 0.00 0.86 4.81 -1.96 -3.08 114.58 115.38 3i4a h GLU 240 Ca -0.00 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 3i4a h GLU 240 Cb 0.55 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3i4a h GLU 240 CO 0.01 0.34 -1.19 0.39 -0.73 0.00 0.00 179.01 177.83 3i4a n GLU 241 N -4.27 0.53 -3.28 1.92 1.02 -0.74 -4.81 120.64 111.01 3i4a n GLU 241 Ca -0.01 0.48 -0.25 0.00 -0.02 0.00 0.00 57.16 57.36 3i4a n GLU 241 Cb 0.28 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 3i4a n GLU 241 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3i4a n TYR 242 N -4.47 -0.83 0.19 -0.32 4.02 0.60 -4.99 117.16 111.37 3i4a n TYR 242 Ca -0.26 -3.33 0.04 0.00 -0.01 0.00 0.00 57.90 54.34 3i4a n TYR 242 Cb 0.57 0.07 0.46 0.00 -0.02 0.00 0.00 39.34 40.42 3i4a n TYR 242 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3i4a h PRO 243 N 4.93 0.07 -0.24 -0.72 0.13 -1.68 -0.59 132.00 133.91 3i4a h PRO 243 Ca 0.18 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 3i4a h PRO 243 Cb 0.90 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3i4a h PRO 243 CO 0.40 0.25 -0.32 0.93 -0.23 0.00 0.00 178.00 179.03 3i4a h GLU 244 N 0.07 0.49 0.14 0.86 3.07 -1.93 -0.79 114.58 116.48 3i4a h GLU 244 Ca 0.01 -0.21 -0.24 0.00 -0.50 0.00 0.00 59.36 58.42 3i4a h GLU 244 Cb 0.36 -0.02 0.03 0.00 -0.84 0.00 0.00 28.75 28.28 3i4a h GLU 244 CO 0.02 0.76 -1.03 0.77 -1.40 0.00 0.00 179.01 178.13 3i4a h SER 245 N 0.42 0.67 -0.19 1.42 0.02 -1.75 -2.92 113.55 111.21 3i4a h SER 245 Ca 0.05 -0.88 0.06 0.00 -0.84 0.00 0.00 61.79 60.17 3i4a h SER 245 Cb 0.77 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3i4a h SER 245 CO 0.06 1.49 0.15 0.00 -1.14 0.00 0.00 176.83 177.40 3i4a h ALA 246 N 0.19 2.06 -0.61 3.77 0.00 -1.10 0.15 119.26 123.72 3i4a h ALA 246 Ca -0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i4a h ALA 246 Cb 1.77 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 3i4a h ALA 246 CO 0.20 -0.25 0.37 0.87 0.00 0.00 0.00 179.25 180.44 3i4a h LYS 247 N 0.00 0.82 0.00 0.00 1.57 -0.99 -1.49 116.57 116.48 3i4a h LYS 247 Ca 0.09 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3i4a h LYS 247 Cb 0.40 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3i4a h LYS 247 CO -0.00 0.58 -0.45 0.28 -0.57 0.00 0.00 179.45 179.29 3i4a h VAL 248 N 0.82 1.06 0.03 0.50 2.07 -0.58 -3.11 116.25 117.04 3i4a h VAL 248 Ca 0.22 -1.73 -0.25 0.00 0.82 0.00 0.00 66.70 65.76 3i4a h VAL 248 Cb -0.03 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3i4a h VAL 248 CO -0.04 0.45 -1.29 1.88 0.02 0.00 0.00 177.57 178.59 3i4a h TYR 249 N 0.00 0.11 0.00 1.57 -1.99 -1.07 -3.27 116.97 112.33 3i4a h TYR 249 Ca -0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.64 3i4a h TYR 249 Cb 0.97 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.70 3i4a h TYR 249 CO 0.00 1.09 0.00 0.39 -0.00 0.00 0.00 178.16 179.64 3i4a n GLU 250 N -3.31 0.02 0.09 4.88 -0.58 -0.57 -2.13 120.64 119.04 3i4a n GLU 250 Ca -0.08 0.24 0.12 0.00 -0.42 0.00 0.00 57.16 57.03 3i4a n GLU 250 Cb 0.99 -1.53 0.27 0.00 -0.57 0.00 0.00 31.44 30.60 3i4a n GLU 250 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3i4a h LYS 251 N 0.00 0.00 -5.51 3.49 1.57 -1.60 -3.43 116.57 111.08 3i4a h LYS 251 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3i4a h LYS 251 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3i4a h LYS 251 CO 0.00 0.00 0.53 -0.51 -0.57 0.00 0.00 179.45 178.90 3i4a s LEU 252 N -4.56 3.04 0.26 2.94 1.43 -0.91 -4.79 118.68 116.10 3i4a s LEU 252 Ca 0.08 0.09 0.25 0.00 -1.03 0.00 0.00 54.13 53.52 3i4a s LEU 252 Cb 0.12 -2.54 0.93 0.00 0.03 0.00 0.00 46.19 44.73 3i4a s LEU 252 CO 0.66 -3.38 1.75 0.11 0.23 0.00 0.00 176.35 175.72 3i4a h LYS 253 N 13.71 0.00 -0.25 1.70 6.56 -1.89 -2.87 116.57 133.53 3i4a h LYS 253 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 3i4a h LYS 253 Cb 1.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.72 3i4a h LYS 253 CO 1.09 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 178.23 3i4a n ASP 254 N -2.32 2.72 -4.70 0.86 9.92 -1.26 -4.99 116.55 116.79 3i4a n ASP 254 Ca 0.03 -1.81 -0.35 0.00 -0.53 0.00 0.00 54.79 52.13 3i4a n ASP 254 Cb 0.31 -0.16 -0.09 0.00 -0.64 0.00 0.00 41.12 40.54 3i4a n ASP 254 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 3i4a s HIS 255 N -1.07 3.27 -0.46 1.24 3.76 -1.08 -4.35 115.29 116.59 3i4a s HIS 255 Ca 0.23 0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 55.05 3i4a s HIS 255 Cb 0.14 -1.92 0.03 0.00 1.11 0.00 0.00 32.58 31.93 3i4a s HIS 255 CO 0.19 0.39 1.13 1.41 -0.85 0.00 0.00 174.74 177.01 3i4a s MET 256 N -0.43 3.76 0.09 1.40 1.75 0.18 -4.96 119.30 121.08 3i4a s MET 256 Ca 0.09 0.62 -0.12 0.00 -1.25 0.00 0.00 55.69 55.03 3i4a s MET 256 Cb -0.12 -3.89 -0.06 0.00 2.84 0.00 0.00 34.83 33.60 3i4a s MET 256 CO 0.02 -1.33 0.45 -0.51 -0.65 0.00 0.00 175.02 173.00 3i4a s LEU 257 N 4.37 4.37 -0.30 4.11 1.43 -1.26 -0.78 118.68 130.61 3i4a s LEU 257 Ca 0.48 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.47 3i4a s LEU 257 Cb -0.08 -3.00 0.10 0.00 0.03 0.00 0.00 46.19 43.24 3i4a s LEU 257 CO 0.30 0.18 0.13 -0.63 0.23 0.00 0.00 176.35 176.56 3i4a s ILE 258 N -1.36 0.21 -0.01 -0.59 1.01 -0.51 -4.93 121.20 115.02 3i4a s ILE 258 Ca 0.33 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 3i4a s ILE 258 Cb -0.15 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.08 3i4a s ILE 258 CO 0.18 -0.73 1.62 -2.16 0.00 0.00 0.00 174.94 173.84 3i4a s PRO 259 N 1.89 4.20 -0.16 2.79 0.04 -1.26 -1.82 135.00 140.69 3i4a s PRO 259 Ca 0.10 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3i4a s PRO 259 Cb -0.17 -3.82 0.03 0.00 0.04 0.00 0.00 34.50 30.58 3i4a s PRO 259 CO -0.31 -0.77 -0.12 0.08 0.04 0.00 0.00 177.00 175.91 3i4a s VAL 260 N 3.40 1.53 0.32 -0.36 1.01 0.19 -4.90 120.40 121.59 3i4a s VAL 260 Ca 0.72 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 3i4a s VAL 260 Cb -0.35 -1.50 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 3i4a s VAL 260 CO 0.30 0.36 0.98 -0.55 0.00 0.00 0.00 175.10 176.19 3i4a s SER 261 N 1.49 7.28 -0.08 3.32 0.15 -1.26 -4.07 113.70 120.53 3i4a s SER 261 Ca 0.03 1.93 0.20 0.00 0.70 0.00 0.00 55.95 58.81 3i4a s SER 261 Cb -0.14 -2.59 0.37 0.00 -1.71 0.00 0.00 66.02 61.95 3i4a s SER 261 CO -0.10 -0.12 1.15 0.23 1.20 0.00 0.00 173.24 175.61 3i4a n MET 262 N 0.64 0.44 -0.32 5.44 2.81 -1.26 -4.87 117.12 120.01 3i4a n MET 262 Ca 0.02 -2.07 0.01 0.00 -1.81 0.00 0.00 57.70 53.84 3i4a n MET 262 Cb 0.49 -0.21 0.07 0.00 -0.71 0.00 0.00 33.22 32.87 3i4a n MET 262 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3i4a h SER 263 N 1.14 -1.10 0.31 7.83 0.02 -1.95 -1.92 113.55 117.88 3i4a h SER 263 Ca -0.29 0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3i4a h SER 263 Cb 1.64 0.63 0.00 0.00 0.14 0.00 0.00 62.40 64.82 3i4a h SER 263 CO 0.03 -0.30 -0.15 -0.33 -1.14 0.00 0.00 176.83 174.94 3i4a h GLU 264 N -0.03 -0.40 -0.15 3.45 4.39 -1.93 -3.31 114.58 116.60 3i4a h GLU 264 Ca 0.37 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.14 3i4a h GLU 264 Cb 0.62 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3i4a h GLU 264 CO -0.91 -0.23 0.11 -0.07 -1.16 0.00 0.00 179.01 176.76 3i4a h LEU 265 N -1.10 0.00 -2.16 1.33 3.38 -1.86 -0.77 115.31 114.14 3i4a h LEU 265 Ca -0.04 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3i4a h LEU 265 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3i4a h LEU 265 CO 0.07 0.00 0.27 -0.08 0.09 0.00 0.00 178.44 178.79 3i4a h GLU 266 N 0.00 0.00 0.00 1.13 4.81 -1.10 0.47 114.58 119.89 3i4a h GLU 266 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3i4a h GLU 266 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3i4a h GLU 266 CO -0.00 0.00 0.00 0.87 -0.73 0.00 0.00 179.01 179.15 3i4a h LYS 267 N 0.00 0.00 0.00 1.92 1.57 -1.25 -1.78 116.57 117.04 3i4a h LYS 267 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3i4a h LYS 267 Cb 0.65 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3i4a h LYS 267 CO -0.00 0.00 -0.39 1.33 -0.57 0.00 0.00 179.45 179.82 3i4a n VAL 268 N -2.33 1.79 -1.08 0.50 0.24 0.08 -4.78 118.33 112.76 3i4a n VAL 268 Ca 0.01 -2.56 -0.03 0.00 -2.04 0.00 0.00 64.34 59.72 3i4a n VAL 268 Cb 0.17 -0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.44 3i4a n VAL 268 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i4a n ASP 269 N -1.02 -3.79 -4.71 -1.34 8.00 -0.67 -4.72 116.55 108.32 3i4a n ASP 269 Ca 0.16 0.07 -0.41 0.00 0.71 0.00 0.00 54.79 55.32 3i4a n ASP 269 Cb 0.72 -1.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.25 3i4a n ASP 269 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i4a s GLY 270 N -2.42 2.59 0.00 0.44 0.00 -0.75 -4.94 107.32 102.23 3i4a s GLY 270 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.93 3i4a s GLY 270 CO 0.00 1.41 0.00 1.04 0.00 0.00 0.00 173.10 175.55 3i4a n LEU 271 N 4.11 0.00 0.03 0.66 4.77 -1.26 -2.64 117.00 122.67 3i4a n LEU 271 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 3i4a n LEU 271 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3i4a n LEU 271 CO 0.48 0.00 0.45 -0.07 -1.33 0.00 0.00 177.39 176.92 3i4a h LEU 272 N 0.00 -0.13 -1.58 2.23 3.38 -1.94 -3.30 115.31 113.97 3i4a h LEU 272 Ca 0.00 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 3i4a h LEU 272 Cb 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i4a h LEU 272 CO 0.00 0.44 -0.18 0.71 0.09 0.00 0.00 178.44 179.50 3i4a h THR 273 N -0.79 1.15 0.00 0.22 1.35 -1.89 -3.05 112.91 109.89 3i4a h THR 273 Ca -0.02 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.16 3i4a h THR 273 Cb 0.56 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3i4a h THR 273 CO 0.03 0.20 -0.02 0.00 -0.25 0.00 0.00 175.52 175.47 3i4a s SER 276 N -1.79 0.20 -0.19 0.00 1.04 -1.17 -4.50 113.70 107.30 3i4a s SER 276 Ca 0.33 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 3i4a s SER 276 Cb 0.21 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3i4a s SER 276 CO 0.31 -0.53 -0.14 -0.69 0.98 0.00 0.00 173.24 173.17 3i4a s VAL 277 N -2.78 2.58 -0.06 5.02 1.01 -0.11 -4.11 120.40 121.95 3i4a s VAL 277 Ca -0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3i4a s VAL 277 Cb -0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3i4a s VAL 277 CO -0.05 0.50 0.29 -0.76 0.00 0.00 0.00 175.10 175.08 3i4a s LEU 278 N 1.31 4.43 -0.05 3.92 2.01 -1.26 -1.27 118.68 127.77 3i4a s LEU 278 Ca 0.04 0.74 -0.01 0.00 0.01 0.00 0.00 54.13 54.92 3i4a s LEU 278 Cb -0.14 -2.37 0.03 0.00 0.01 0.00 0.00 46.19 43.72 3i4a s LEU 278 CO -0.08 0.34 0.01 -0.63 1.01 0.00 0.00 176.35 177.00 3i4a s ILE 279 N -0.96 0.23 -0.32 -0.59 1.01 -0.83 -4.78 121.20 114.96 3i4a s ILE 279 Ca 0.20 0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.83 3i4a s ILE 279 Cb -0.15 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 3i4a s ILE 279 CO 0.09 0.20 0.45 0.21 0.00 0.00 0.00 174.94 175.89 3i4a s ASN 280 N 1.61 6.28 -0.34 3.58 2.47 -1.26 -0.18 114.94 127.10 3i4a s ASN 280 Ca -0.01 0.04 0.04 0.00 0.42 0.00 0.00 52.86 53.34 3i4a s ASN 280 Cb -0.13 -2.24 0.10 0.00 -1.45 0.00 0.00 41.25 37.53 3i4a s ASN 280 CO -0.03 -0.37 0.05 -0.75 -3.72 0.00 0.00 177.10 172.28 3i4a s LYS 281 N 2.23 1.46 0.00 0.43 2.20 -1.26 -4.76 119.74 120.04 3i4a s LYS 281 Ca 0.17 -1.86 0.17 0.00 -0.36 0.00 0.00 55.97 54.08 3i4a s LYS 281 Cb -0.16 -3.17 0.99 0.00 -1.51 0.00 0.00 37.83 33.98 3i4a s LYS 281 CO 0.12 -0.94 1.40 0.36 -0.36 0.00 0.00 175.35 175.92