#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4f s VAL 38 N 0.00 4.63 0.50 1.97 1.01 -1.26 -5.05 120.40 122.20 3i4f s VAL 38 Ca 0.00 1.78 -0.21 0.00 0.00 0.00 0.00 61.98 63.55 3i4f s VAL 38 Cb 0.00 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 3i4f s VAL 38 CO 0.00 0.36 1.15 -0.13 0.00 0.00 0.00 175.10 176.48 3i4f s ARG 39 N -0.12 3.54 -0.06 2.72 1.81 -1.26 -4.83 118.95 120.75 3i4f s ARG 39 Ca 0.41 1.71 0.05 0.00 -1.72 0.00 0.00 55.73 56.18 3i4f s ARG 39 Cb -0.22 -2.21 -0.00 0.00 -0.45 0.00 0.00 34.95 32.08 3i4f s ARG 39 CO 0.25 -0.72 -0.21 -1.58 -0.68 0.00 0.00 175.30 172.37 3i4f s HIS 40 N -1.65 2.14 -0.08 -0.53 5.65 -1.26 -2.08 115.29 117.49 3i4f s HIS 40 Ca 0.68 -0.71 0.01 0.00 0.25 0.00 0.00 55.06 55.29 3i4f s HIS 40 Cb -0.27 -1.44 -0.03 0.00 -1.18 0.00 0.00 32.58 29.67 3i4f s HIS 40 CO 0.31 -0.26 -0.08 0.00 -0.65 0.00 0.00 174.74 174.07 3i4f s ALA 41 N 0.10 2.94 -0.25 1.58 0.00 0.25 -0.38 121.76 126.01 3i4f s ALA 41 Ca -0.09 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 3i4f s ALA 41 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.75 3i4f s ALA 41 CO 0.05 0.53 0.01 -1.17 0.00 0.00 0.00 175.76 175.17 3i4f s LEU 42 N -0.66 3.32 -0.08 0.00 2.96 0.78 -0.82 118.68 124.17 3i4f s LEU 42 Ca 0.10 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3i4f s LEU 42 Cb -0.11 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3i4f s LEU 42 CO 0.02 -0.10 -0.21 -0.51 -1.32 0.00 0.00 176.35 174.23 3i4f s ILE 43 N 1.47 1.80 0.13 6.68 2.07 -0.46 -0.82 121.20 132.07 3i4f s ILE 43 Ca 0.04 -0.88 -0.21 0.00 -1.41 0.00 0.00 60.65 58.19 3i4f s ILE 43 Cb -0.16 -1.56 -0.07 0.00 0.13 0.00 0.00 42.46 40.80 3i4f s ILE 43 CO -0.01 0.50 0.65 0.42 -1.91 0.00 0.00 174.94 174.59 3i4f s THR 44 N 0.29 4.62 -1.36 4.00 -4.23 -0.77 -2.11 115.64 116.08 3i4f s THR 44 Ca -0.14 1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 61.67 3i4f s THR 44 Cb -0.16 -3.94 0.01 0.00 1.34 0.00 0.00 72.50 69.75 3i4f s THR 44 CO 0.06 0.46 0.71 0.00 -0.54 0.00 0.00 174.62 175.32 3i4f n ALA 45 N 1.44 -1.90 -0.12 3.99 0.00 -1.15 -2.87 120.51 119.90 3i4f n ALA 45 Ca -0.07 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.31 3i4f n ALA 45 Cb 0.50 -2.29 0.28 0.00 0.00 0.00 0.00 19.45 17.94 3i4f n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4f n GLY 46 N -1.64 2.16 0.05 0.00 0.00 -0.99 -4.13 105.19 100.63 3i4f n GLY 46 Ca -0.25 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.15 3i4f n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i4f n THR 47 N 0.76 0.58 -4.46 2.61 -2.24 -1.26 -3.32 114.28 106.95 3i4f n THR 47 Ca 0.20 -0.64 -0.24 0.00 -2.27 0.00 0.00 64.05 61.10 3i4f n THR 47 Cb 0.74 -0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.67 3i4f n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3i4f s LYS 48 N -3.12 1.83 2.98 -0.78 -2.85 -1.26 -4.64 119.74 111.90 3i4f s LYS 48 Ca -0.08 -2.09 0.00 0.00 -1.00 0.00 0.00 55.97 52.80 3i4f s LYS 48 Cb 0.11 -0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.40 3i4f s LYS 48 CO 0.87 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 176.27 3i4f n GLY 49 N -0.81 1.68 0.23 0.59 0.00 -1.26 -2.00 105.19 103.62 3i4f n GLY 49 Ca -0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 3i4f n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i4f h LEU 50 N 0.00 0.39 -0.99 0.99 4.07 -1.92 -2.84 115.31 115.01 3i4f h LEU 50 Ca 0.00 0.05 0.21 0.00 0.08 0.00 0.00 57.88 58.21 3i4f h LEU 50 Cb 0.00 -0.02 -0.11 0.00 1.08 0.00 0.00 40.66 41.61 3i4f h LEU 50 CO 0.00 0.25 0.58 1.23 -1.08 0.00 0.00 178.44 179.42 3i4f h GLY 51 N 0.54 1.79 0.55 0.83 0.00 -1.72 -2.28 103.07 102.77 3i4f h GLY 51 Ca 0.28 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.32 3i4f h GLY 51 CO -0.22 -0.13 -0.13 1.70 0.00 0.00 0.00 176.54 177.76 3i4f h LYS 52 N 0.67 -0.16 -0.31 4.80 3.64 -1.14 0.56 116.57 124.63 3i4f h LYS 52 Ca 0.59 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.96 3i4f h LYS 52 Cb 1.00 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3i4f h LYS 52 CO -0.42 -0.11 0.07 1.96 -2.27 0.00 0.00 179.45 178.68 3i4f h GLN 53 N -0.17 0.45 -0.15 1.90 1.08 -1.53 -1.57 115.11 115.12 3i4f h GLN 53 Ca 0.08 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3i4f h GLN 53 Cb 0.28 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3i4f h GLN 53 CO -0.20 0.42 -0.02 0.28 -0.95 0.00 0.00 178.83 178.36 3i4f h VAL 54 N 0.44 1.27 -0.21 -0.54 2.07 -0.99 -1.44 116.25 116.86 3i4f h VAL 54 Ca 0.11 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.74 3i4f h VAL 54 Cb 0.18 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3i4f h VAL 54 CO -0.00 0.27 -0.05 0.74 0.02 0.00 0.00 177.57 178.55 3i4f h THR 55 N -0.01 0.80 -0.08 2.57 2.02 -0.70 -2.20 112.91 115.31 3i4f h THR 55 Ca 0.04 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 3i4f h THR 55 Cb 0.43 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3i4f h THR 55 CO 0.01 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 175.55 3i4f h GLU 56 N 0.01 0.11 -0.01 6.66 5.08 -1.23 -1.17 114.58 124.02 3i4f h GLU 56 Ca 0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3i4f h GLU 56 Cb 0.15 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3i4f h GLU 56 CO -0.21 0.14 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.72 3i4f h LYS 57 N 0.11 0.01 -0.46 2.33 1.63 -0.72 -1.91 116.57 117.56 3i4f h LYS 57 Ca 0.03 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 3i4f h LYS 57 Cb 0.12 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 3i4f h LYS 57 CO 0.00 0.39 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.19 3i4f h LEU 58 N -0.37 0.86 -0.17 5.20 3.38 -1.10 -2.00 115.31 121.11 3i4f h LEU 58 Ca 0.00 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3i4f h LEU 58 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3i4f h LEU 58 CO 0.00 1.00 0.06 -0.07 0.09 0.00 0.00 178.44 179.52 3i4f h LEU 59 N 0.77 0.07 -1.31 1.67 3.38 -1.22 -1.25 115.31 117.41 3i4f h LEU 59 Ca 0.12 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3i4f h LEU 59 Cb 0.65 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3i4f h LEU 59 CO 0.05 0.06 0.49 0.00 0.09 0.00 0.00 178.44 179.13 3i4f h ALA 60 N 1.11 1.58 0.00 1.53 0.00 -1.02 -0.76 119.26 121.70 3i4f h ALA 60 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i4f h ALA 60 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i4f h ALA 60 CO -0.08 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.14 3i4f n LYS 61 N -4.46 0.22 -0.49 0.00 4.76 -0.78 -4.86 118.16 112.56 3i4f n LYS 61 Ca 0.10 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 3i4f n LYS 61 Cb 0.13 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3i4f n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i4f n GLY 62 N -0.40 0.75 3.89 0.72 0.00 -0.29 -5.08 105.19 104.79 3i4f n GLY 62 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3i4f n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i4f s TYR 63 N -2.62 3.25 0.10 1.61 2.02 -0.50 -4.84 117.35 116.37 3i4f s TYR 63 Ca 0.00 0.96 0.04 0.00 -0.37 0.00 0.00 57.07 57.70 3i4f s TYR 63 Cb 0.00 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.39 3i4f s TYR 63 CO 0.00 -1.27 0.08 -1.54 -1.57 0.00 0.00 175.55 171.25 3i4f s SER 64 N -4.40 5.45 -0.02 2.29 1.04 -0.88 -4.45 113.70 112.73 3i4f s SER 64 Ca 0.59 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.94 3i4f s SER 64 Cb -0.11 -1.43 0.02 0.00 0.10 0.00 0.00 66.02 64.60 3i4f s SER 64 CO 0.51 0.15 0.04 -0.69 0.98 0.00 0.00 173.24 174.22 3i4f s VAL 65 N -1.47 -0.02 -0.31 5.02 1.01 0.40 -0.58 120.40 124.45 3i4f s VAL 65 Ca 0.29 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 3i4f s VAL 65 Cb -0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 3i4f s VAL 65 CO 0.22 0.04 0.14 -0.89 0.00 0.00 0.00 175.10 174.60 3i4f s THR 66 N 0.47 4.49 -0.07 3.92 2.01 -0.00 -1.01 115.64 125.45 3i4f s THR 66 Ca -0.04 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.52 3i4f s THR 66 Cb -0.05 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 3i4f s THR 66 CO -0.02 0.08 -0.07 0.68 -0.69 0.00 0.00 174.62 174.61 3i4f s VAL 67 N 1.60 3.72 0.27 3.82 -7.23 0.20 -1.35 120.40 121.43 3i4f s VAL 67 Ca 0.04 -0.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 3i4f s VAL 67 Cb -0.17 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3i4f s VAL 67 CO 0.06 0.60 0.45 0.42 -0.31 0.00 0.00 175.10 176.31 3i4f s THR 68 N -0.79 5.18 0.11 5.32 -4.23 -0.90 -0.87 115.64 119.45 3i4f s THR 68 Ca 0.12 -0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 59.98 3i4f s THR 68 Cb -0.11 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.92 3i4f s THR 68 CO 0.01 -0.37 0.25 -0.72 -0.54 0.00 0.00 174.62 173.26 3i4f s TYR 69 N -2.07 0.10 0.00 3.99 -0.85 -0.87 -2.35 117.35 115.30 3i4f s TYR 69 Ca 0.38 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 3i4f s TYR 69 Cb -0.10 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.26 3i4f s TYR 69 CO 0.32 -0.61 0.70 1.58 -1.52 0.00 0.00 175.55 176.02 3i4f n HIS 70 N -0.12 0.00 0.00 -3.49 -0.00 -1.26 0.26 115.22 110.62 3i4f n HIS 70 Ca -0.14 -0.25 0.00 0.00 -0.00 0.00 0.00 57.72 57.33 3i4f n HIS 70 Cb 0.63 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 3i4f n HIS 70 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 3i4f n THR 73 N -0.25 0.00 0.01 3.57 5.66 -1.26 -4.89 114.28 117.13 3i4f n THR 73 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 3i4f n THR 73 Cb 0.28 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.94 3i4f n THR 73 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3i4f n THR 74 N 0.00 0.59 0.01 1.09 -2.24 -1.26 -3.28 114.28 109.19 3i4f n THR 74 Ca 0.00 -0.61 -0.02 0.00 -2.27 0.00 0.00 64.05 61.15 3i4f n THR 74 Cb 0.00 -0.29 0.23 0.00 -2.10 0.00 0.00 70.33 68.17 3i4f n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i4f h ALA 75 N 1.72 1.18 -0.17 6.98 0.00 -2.00 -2.29 119.26 124.70 3i4f h ALA 75 Ca -0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 3i4f h ALA 75 Cb 1.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3i4f h ALA 75 CO 0.01 0.52 -0.47 0.00 0.00 0.00 0.00 179.25 179.31 3i4f h MET 76 N 0.45 0.42 -0.13 0.00 3.00 -1.86 -2.75 114.93 114.06 3i4f h MET 76 Ca 0.08 -0.24 -0.23 0.00 0.00 0.00 0.00 59.70 59.31 3i4f h MET 76 Cb 0.56 0.01 0.01 0.00 0.00 0.00 0.00 31.60 32.18 3i4f h MET 76 CO 0.04 0.81 -0.81 0.93 0.00 0.00 0.00 176.91 177.88 3i4f h GLU 77 N 0.34 0.77 -0.54 -0.10 4.39 -1.51 0.86 114.58 118.79 3i4f h GLU 77 Ca 0.02 -0.65 -0.09 0.00 0.34 0.00 0.00 59.36 58.98 3i4f h GLU 77 Cb 0.96 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 3i4f h GLU 77 CO 0.08 1.25 -0.00 1.79 -1.16 0.00 0.00 179.01 180.97 3i4f h THR 78 N 0.52 1.26 -0.57 1.13 1.35 -1.47 0.21 112.91 115.34 3i4f h THR 78 Ca -0.06 -1.11 -0.05 0.00 -0.55 0.00 0.00 66.41 64.64 3i4f h THR 78 Cb 1.44 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 3i4f h THR 78 CO 0.16 0.40 0.16 -0.03 -0.25 0.00 0.00 175.52 175.96 3i4f h MET 79 N 0.84 0.89 -0.55 4.72 1.85 -1.48 -1.77 114.93 119.43 3i4f h MET 79 Ca 0.15 -0.20 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 3i4f h MET 79 Cb 0.54 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.42 3i4f h MET 79 CO 0.03 0.82 0.28 -0.22 -0.40 0.00 0.00 176.91 177.42 3i4f h LYS 80 N 0.80 0.76 -0.28 0.39 3.64 -0.48 -2.60 116.57 118.80 3i4f h LYS 80 Ca 0.18 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3i4f h LYS 80 Cb 0.31 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3i4f h LYS 80 CO -0.00 0.58 -0.22 1.49 -2.27 0.00 0.00 179.45 179.02 3i4f h GLU 81 N 0.77 0.65 -0.28 1.90 4.57 -0.77 -3.18 114.58 118.24 3i4f h GLU 81 Ca 0.19 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 3i4f h GLU 81 Cb 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3i4f h GLU 81 CO -0.03 0.92 0.08 1.15 -1.18 0.00 0.00 179.01 179.95 3i4f h THR 82 N 0.38 1.13 -0.52 0.32 2.02 -0.95 -3.07 112.91 112.23 3i4f h THR 82 Ca 0.05 -0.43 -0.30 0.00 0.77 0.00 0.00 66.41 66.50 3i4f h THR 82 Cb 0.77 0.83 -0.18 0.00 -1.74 0.00 0.00 68.15 67.83 3i4f h THR 82 CO 0.06 0.16 -0.01 -1.22 0.37 0.00 0.00 175.52 174.88 3i4f n TYR 83 N -4.39 1.67 -0.34 3.16 4.01 -1.06 -4.66 117.16 115.55 3i4f n TYR 83 Ca 0.01 -1.84 0.13 0.00 -0.16 0.00 0.00 57.90 56.04 3i4f n TYR 83 Cb 0.15 -0.61 0.33 0.00 -0.31 0.00 0.00 39.34 38.90 3i4f n TYR 83 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3i4f h LYS 84 N 1.22 0.73 -0.76 -0.72 5.09 -1.51 -2.41 116.57 118.21 3i4f h LYS 84 Ca 0.32 -0.04 0.02 0.00 0.09 0.00 0.00 60.65 61.03 3i4f h LYS 84 Cb 1.70 -0.16 -0.04 0.00 0.10 0.00 0.00 32.23 33.83 3i4f h LYS 84 CO 0.62 0.48 0.50 0.22 -2.09 0.00 0.00 179.45 179.17 3i4f h ASP 85 N 0.75 0.84 -1.96 7.07 1.82 -1.87 -3.01 116.42 120.06 3i4f h ASP 85 Ca 0.56 -0.01 -0.67 0.00 -0.39 0.00 0.00 57.03 56.52 3i4f h ASP 85 Cb 0.89 -0.20 -0.36 0.00 0.68 0.00 0.00 39.33 40.34 3i4f h ASP 85 CO -0.35 0.60 -0.01 1.33 -1.61 0.00 0.00 179.24 179.20 3i4f n VAL 86 N -4.58 3.48 -0.31 2.25 0.24 -0.92 -4.82 118.33 113.67 3i4f n VAL 86 Ca 0.08 -5.15 0.03 0.00 -2.04 0.00 0.00 64.34 57.26 3i4f n VAL 86 Cb 0.04 -1.35 0.17 0.00 -1.47 0.00 0.00 33.84 31.24 3i4f n VAL 86 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3i4f h GLU 87 N 3.06 0.88 -0.16 7.34 4.11 -1.43 -2.70 114.58 125.68 3i4f h GLU 87 Ca 0.36 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 59.78 3i4f h GLU 87 Cb 0.51 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3i4f h GLU 87 CO 1.03 0.58 0.20 1.05 0.07 0.00 0.00 179.01 181.94 3i4f h GLU 88 N 0.90 0.00 -0.33 1.06 4.11 -1.90 -2.35 114.58 116.08 3i4f h GLU 88 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 3i4f h GLU 88 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3i4f h GLU 88 CO -0.22 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.40 3i4f n ARG 89 N -3.70 2.28 -3.69 1.06 1.74 -1.02 -4.92 116.66 108.42 3i4f n ARG 89 Ca 0.01 -2.09 -0.20 0.00 -0.77 0.00 0.00 57.85 54.80 3i4f n ARG 89 Cb 0.32 -1.43 -0.18 0.00 -1.02 0.00 0.00 32.46 30.15 3i4f n ARG 89 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i4f s LEU 90 N -1.32 0.24 -0.03 0.55 2.96 -0.88 -0.46 118.68 119.75 3i4f s LEU 90 Ca 0.33 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 3i4f s LEU 90 Cb 0.19 -0.17 -0.00 0.00 0.50 0.00 0.00 46.19 46.70 3i4f s LEU 90 CO 0.26 -0.24 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.33 3i4f s GLN 91 N 2.09 1.40 -0.11 1.98 0.74 -0.18 -4.89 119.66 120.69 3i4f s GLN 91 Ca 0.04 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.95 3i4f s GLN 91 Cb -0.12 -1.27 -0.01 0.00 1.10 0.00 0.00 33.01 32.70 3i4f s GLN 91 CO -0.03 0.24 -0.17 -0.06 -0.55 0.00 0.00 175.29 174.72 3i4f s PHE 92 N -0.06 2.72 -0.08 1.67 0.08 -1.26 -0.63 117.98 120.42 3i4f s PHE 92 Ca -0.00 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.35 3i4f s PHE 92 Cb -0.09 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 3i4f s PHE 92 CO 0.01 -0.23 -0.11 0.08 -0.10 0.00 0.00 175.22 174.86 3i4f s VAL 93 N 0.23 1.12 0.20 -0.44 1.01 -0.05 -4.96 120.40 117.51 3i4f s VAL 93 Ca -0.11 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3i4f s VAL 93 Cb -0.16 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 3i4f s VAL 93 CO 0.06 0.36 1.26 -1.58 0.00 0.00 0.00 175.10 175.20 3i4f s GLN 94 N 0.90 4.43 -0.25 2.72 0.74 -1.26 -2.05 119.66 124.90 3i4f s GLN 94 Ca -0.10 1.98 -0.21 0.00 0.05 0.00 0.00 55.36 57.08 3i4f s GLN 94 Cb -0.15 -3.21 0.06 0.00 1.10 0.00 0.00 33.01 30.81 3i4f s GLN 94 CO 0.01 -0.18 0.65 0.00 -0.55 0.00 0.00 175.29 175.21 3i4f s ALA 95 N 0.00 -1.62 -0.38 1.58 0.00 0.14 -4.86 121.76 116.62 3i4f s ALA 95 Ca 0.55 1.89 -0.20 0.00 0.00 0.00 0.00 51.96 54.20 3i4f s ALA 95 Cb -0.35 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.68 3i4f s ALA 95 CO 0.38 -0.31 0.62 0.34 0.00 0.00 0.00 175.76 176.78 3i4f s ASP 96 N 0.53 6.37 0.42 0.00 -1.08 -1.26 -3.98 116.67 117.66 3i4f s ASP 96 Ca -0.01 -0.06 0.29 0.00 -0.52 0.00 0.00 52.55 52.25 3i4f s ASP 96 Cb -0.05 -2.31 1.39 0.00 -1.46 0.00 0.00 42.92 40.49 3i4f s ASP 96 CO -0.02 -0.64 1.88 -0.37 0.52 0.00 0.00 175.17 176.54 3i4f h VAL 97 N 5.73 0.00 -0.00 1.11 -1.51 -1.96 -1.64 116.25 117.98 3i4f h VAL 97 Ca -0.26 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3i4f h VAL 97 Cb 1.11 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3i4f h VAL 97 CO 0.84 0.00 -0.14 0.35 -1.23 0.00 0.00 177.57 177.40 3i4f n THR 98 N -2.58 0.00 -3.76 7.19 -2.24 -1.26 -4.66 114.28 106.96 3i4f n THR 98 Ca -0.00 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 3i4f n THR 98 Cb 0.16 -0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.18 3i4f n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i4f s LYS 99 N -2.57 3.07 0.36 -0.78 3.01 -0.62 -4.93 119.74 117.28 3i4f s LYS 99 Ca 0.26 -0.87 0.05 0.00 -1.01 0.00 0.00 55.97 54.40 3i4f s LYS 99 Cb 0.20 -3.37 0.71 0.00 -1.01 0.00 0.00 37.83 34.36 3i4f s LYS 99 CO 0.50 -0.45 1.97 -0.22 0.51 0.00 0.00 175.35 177.66 3i4f h LYS 100 N 8.23 0.77 -0.60 1.68 3.64 -1.84 -2.17 116.57 126.27 3i4f h LYS 100 Ca -0.31 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.06 3i4f h LYS 100 Cb 1.12 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 3i4f h LYS 100 CO 0.60 0.51 0.35 0.93 -2.27 0.00 0.00 179.45 179.57 3i4f h GLU 101 N 0.79 0.65 -0.41 1.90 3.07 -1.94 -1.97 114.58 116.68 3i4f h GLU 101 Ca 0.30 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 3i4f h GLU 101 Cb 0.18 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 3i4f h GLU 101 CO -0.09 0.43 0.00 -0.44 -1.40 0.00 0.00 179.01 177.51 3i4f h ASP 102 N 0.67 0.61 -0.38 1.42 3.32 -1.67 -2.32 116.42 118.07 3i4f h ASP 102 Ca 0.26 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3i4f h ASP 102 Cb 0.09 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3i4f h ASP 102 CO -0.14 0.68 0.02 -0.07 -1.72 0.00 0.00 179.24 178.01 3i4f h LEU 103 N 0.61 0.65 -1.37 1.55 3.38 -1.16 -1.37 115.31 117.60 3i4f h LEU 103 Ca 0.13 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3i4f h LEU 103 Cb 0.38 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3i4f h LEU 103 CO 0.01 0.78 0.46 -0.74 0.09 0.00 0.00 178.44 179.05 3i4f h HIS 104 N 0.49 0.78 -0.30 1.13 2.76 -1.28 -2.84 115.15 115.89 3i4f h HIS 104 Ca 0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 3i4f h HIS 104 Cb 0.44 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3i4f h HIS 104 CO 0.03 0.44 -0.14 -0.22 -1.30 0.00 0.00 177.93 176.75 3i4f h LYS 105 N 0.80 0.62 -0.56 5.26 3.64 -0.81 -2.03 116.57 123.48 3i4f h LYS 105 Ca 0.29 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3i4f h LYS 105 Cb 0.14 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3i4f h LYS 105 CO -0.09 0.85 0.22 -0.84 -2.27 0.00 0.00 179.45 177.32 3i4f h ILE 106 N 0.38 1.20 0.15 2.00 3.07 -1.14 -0.54 117.51 122.64 3i4f h ILE 106 Ca 0.07 -0.64 -0.01 0.00 1.55 0.00 0.00 64.86 65.83 3i4f h ILE 106 Cb 0.66 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 37.74 3i4f h ILE 106 CO 0.04 0.25 -0.07 0.58 -1.05 0.00 0.00 178.15 177.90 3i4f h VAL 107 N 0.81 0.99 -0.41 0.16 2.07 -1.45 -2.04 116.25 116.38 3i4f h VAL 107 Ca 0.19 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.99 3i4f h VAL 107 Cb 0.16 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 31.31 3i4f h VAL 107 CO -0.02 0.18 -0.30 -0.33 0.02 0.00 0.00 177.57 177.13 3i4f h GLU 108 N -0.61 -0.22 -0.30 1.57 5.08 -1.22 -0.75 114.58 118.13 3i4f h GLU 108 Ca -0.02 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3i4f h GLU 108 Cb 0.46 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3i4f h GLU 108 CO 0.03 -0.14 -0.03 0.93 -1.00 0.00 0.00 179.01 178.81 3i4f h GLU 109 N -0.22 0.47 -0.21 2.33 5.08 -1.05 0.61 114.58 121.58 3i4f h GLU 109 Ca 0.18 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3i4f h GLU 109 Cb 0.52 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3i4f h GLU 109 CO -0.53 0.51 -0.34 0.00 -1.00 0.00 0.00 179.01 177.66 3i4f h ALA 110 N 1.53 0.33 -0.44 3.43 0.00 -1.03 -2.70 119.26 120.38 3i4f h ALA 110 Ca 0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3i4f h ALA 110 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i4f h ALA 110 CO 0.01 0.38 -0.10 0.52 0.00 0.00 0.00 179.25 180.06 3i4f h MET 111 N 0.29 0.85 -0.52 0.00 2.86 -0.58 0.10 114.93 117.93 3i4f h MET 111 Ca 0.02 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.37 3i4f h MET 111 Cb 0.92 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 3i4f h MET 111 CO 0.08 0.95 0.29 0.77 1.06 0.00 0.00 176.91 180.06 3i4f h SER 112 N 0.68 0.45 0.52 1.22 0.02 -0.95 0.22 113.55 115.70 3i4f h SER 112 Ca 0.11 0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.79 3i4f h SER 112 Cb 0.64 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.12 3i4f h SER 112 CO 0.04 0.31 -1.29 0.45 -1.14 0.00 0.00 176.83 175.21 3i4f h HIS 113 N 0.57 0.63 0.00 3.45 3.86 -1.41 -3.41 115.15 118.85 3i4f h HIS 113 Ca 0.22 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3i4f h HIS 113 Cb 0.07 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3i4f h HIS 113 CO -0.08 1.35 -0.94 1.19 0.86 0.00 0.00 177.93 180.31 3i4f n PHE 114 N -3.59 0.00 -0.98 2.45 3.72 0.34 -5.04 117.46 114.36 3i4f n PHE 114 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3i4f n PHE 114 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 3i4f n PHE 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i4f n GLY 115 N 2.49 0.52 3.55 1.37 0.00 0.75 -4.96 105.19 108.91 3i4f n GLY 115 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i4f n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i4f s LYS 116 N -0.30 0.77 -0.25 1.61 -2.85 -1.26 -5.01 119.74 112.46 3i4f s LYS 116 Ca 0.00 0.17 0.01 0.00 -1.00 0.00 0.00 55.97 55.16 3i4f s LYS 116 Cb 0.00 0.36 0.06 0.00 -2.06 0.00 0.00 37.83 36.20 3i4f s LYS 116 CO 0.00 -0.24 -0.05 0.42 0.10 0.00 0.00 175.35 175.58 3i4f s ILE 117 N -1.19 1.61 -0.16 3.79 1.01 -1.26 -4.76 121.20 120.23 3i4f s ILE 117 Ca -0.05 -1.34 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 3i4f s ILE 117 Cb -0.00 -1.89 -0.23 0.00 0.01 0.00 0.00 42.46 40.35 3i4f s ILE 117 CO 0.04 -0.15 0.30 0.44 0.00 0.00 0.00 174.94 175.58 3i4f h ASP 118 N 7.92 0.21 -4.04 3.58 3.32 -1.05 -3.42 116.42 122.94 3i4f h ASP 118 Ca -0.17 -0.73 -0.69 0.00 0.02 0.00 0.00 57.03 55.46 3i4f h ASP 118 Cb 1.06 -0.07 -0.30 0.00 0.22 0.00 0.00 39.33 40.24 3i4f h ASP 118 CO 0.43 1.67 -0.87 -0.36 -1.72 0.00 0.00 179.24 178.39 3i4f s PHE 119 N -2.46 2.47 -0.19 4.55 0.08 -0.33 -1.61 117.98 120.49 3i4f s PHE 119 Ca -0.25 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.16 3i4f s PHE 119 Cb 0.06 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.94 3i4f s PHE 119 CO 0.68 -0.17 -0.15 -1.17 -0.10 0.00 0.00 175.22 174.32 3i4f s LEU 120 N -0.23 2.23 -0.32 -0.37 2.96 0.44 -0.16 118.68 123.23 3i4f s LEU 120 Ca -0.01 -0.76 0.03 0.00 -0.22 0.00 0.00 54.13 53.17 3i4f s LEU 120 Cb -0.13 -1.35 0.09 0.00 0.50 0.00 0.00 46.19 45.29 3i4f s LEU 120 CO 0.03 -0.07 0.01 -0.63 -1.32 0.00 0.00 176.35 174.37 3i4f s ILE 121 N 1.34 2.15 -1.38 6.68 1.01 -0.00 -0.56 121.20 130.44 3i4f s ILE 121 Ca 0.02 -2.09 -0.10 0.00 0.00 0.00 0.00 60.65 58.48 3i4f s ILE 121 Cb -0.15 -2.50 0.09 0.00 0.01 0.00 0.00 42.46 39.91 3i4f s ILE 121 CO -0.10 -0.45 2.22 0.59 0.00 0.00 0.00 174.94 177.19 3i4f n ASN 122 N 4.34 5.95 0.12 3.58 3.02 -0.50 -1.85 115.26 129.92 3i4f n ASN 122 Ca -0.01 -2.98 -0.02 0.00 -0.03 0.00 0.00 54.58 51.54 3i4f n ASN 122 Cb 0.42 -1.51 0.12 0.00 -0.61 0.00 0.00 39.78 38.20 3i4f n ASN 122 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 3i4f h ASN 123 N 5.45 0.01 -4.11 6.41 -1.24 -1.84 -3.38 115.58 116.87 3i4f h ASN 123 Ca 0.57 -0.00 -0.53 0.00 0.71 0.00 0.00 56.30 57.04 3i4f h ASN 123 Cb 0.51 -0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.68 3i4f h ASN 123 CO 1.68 0.69 0.46 0.00 -1.29 0.00 0.00 177.43 178.97 3i4f s ALA 124 N -3.45 2.47 0.00 1.57 0.00 -1.14 -4.92 121.76 116.29 3i4f s ALA 124 Ca -0.01 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3i4f s ALA 124 Cb 0.12 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3i4f s ALA 124 CO 0.77 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3i4f n GLY 125 N 0.49 -1.57 3.56 0.00 0.00 -1.26 -4.94 105.19 101.47 3i4f n GLY 125 Ca 0.14 1.01 -0.36 0.00 0.00 0.00 0.00 46.02 46.81 3i4f n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4f n PRO 126 N 0.00 0.40 -3.72 1.61 -0.04 -1.26 -5.02 135.00 126.98 3i4f n PRO 126 Ca 0.00 0.19 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 3i4f n PRO 126 Cb 0.00 -2.09 -0.11 0.00 -0.04 0.00 0.00 33.50 31.26 3i4f n PRO 126 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3i4f s TYR 127 N -1.88 -0.48 -0.41 0.54 5.04 -1.26 -4.87 117.35 114.03 3i4f s TYR 127 Ca 0.70 1.08 -0.23 0.00 -2.44 0.00 0.00 57.07 56.19 3i4f s TYR 127 Cb -0.34 0.18 0.02 0.00 0.35 0.00 0.00 41.96 42.17 3i4f s TYR 127 CO 0.53 -0.27 0.77 0.08 -1.34 0.00 0.00 175.55 175.32 3i4f s VAL 128 N 1.00 4.71 0.22 3.14 1.01 -1.26 -4.93 120.40 124.29 3i4f s VAL 128 Ca -0.07 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.59 3i4f s VAL 128 Cb -0.07 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 3i4f s VAL 128 CO -0.08 -0.57 1.51 -0.26 0.00 0.00 0.00 175.10 175.71 3i4f h PHE 129 N 8.73 0.16 -3.99 5.22 0.04 -1.99 -3.45 116.94 121.66 3i4f h PHE 129 Ca -0.25 -0.07 -0.54 0.00 2.80 0.00 0.00 57.97 59.90 3i4f h PHE 129 Cb 1.09 -0.02 0.12 0.00 2.20 0.00 0.00 35.95 39.34 3i4f h PHE 129 CO 0.79 0.78 0.70 -1.21 -0.60 0.00 0.00 178.31 178.78 3i4f s GLU 130 N -3.48 3.65 -0.83 1.51 8.01 -1.26 -4.97 118.70 121.33 3i4f s GLU 130 Ca -0.02 2.42 -0.15 0.00 0.01 0.00 0.00 54.97 57.23 3i4f s GLU 130 Cb 0.12 -2.64 0.20 0.00 -4.31 0.00 0.00 34.13 27.49 3i4f s GLU 130 CO 0.79 -0.84 0.83 1.03 0.01 0.00 0.00 175.26 177.08 3i4f s ARG 131 N -2.47 3.57 0.11 1.61 0.52 -1.26 -4.97 118.95 116.06 3i4f s ARG 131 Ca 0.61 -2.28 0.09 0.00 -0.52 0.00 0.00 55.73 53.63 3i4f s ARG 131 Cb -0.44 -4.52 -0.04 0.00 0.52 0.00 0.00 34.95 30.48 3i4f s ARG 131 CO 0.56 -1.39 -0.22 -1.59 0.02 0.00 0.00 175.30 172.69 3i4f s LYS 132 N 0.76 1.16 0.74 3.54 -2.85 -1.26 -5.01 119.74 116.81 3i4f s LYS 132 Ca 0.20 -1.19 -0.15 0.00 -1.00 0.00 0.00 55.97 53.84 3i4f s LYS 132 Cb -0.10 -1.44 0.05 0.00 -2.06 0.00 0.00 37.83 34.27 3i4f s LYS 132 CO -0.08 0.34 1.19 0.15 0.10 0.00 0.00 175.35 177.05 3i4f s LYS 133 N -1.94 2.10 0.28 1.78 1.02 -1.26 -4.46 119.74 117.25 3i4f s LYS 133 Ca 0.07 1.71 0.01 0.00 0.02 0.00 0.00 55.97 57.78 3i4f s LYS 133 Cb -0.10 -1.83 0.60 0.00 -0.52 0.00 0.00 37.83 35.98 3i4f s LYS 133 CO 0.04 -1.86 1.77 1.25 -0.92 0.00 0.00 175.35 175.63 3i4f h LEU 134 N -0.41 0.61 -0.37 3.17 5.85 -1.99 -0.95 115.31 121.22 3i4f h LEU 134 Ca -0.47 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3i4f h LEU 134 Cb 1.29 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3i4f h LEU 134 CO 0.49 0.24 0.00 0.55 -0.34 0.00 0.00 178.44 179.38 3i4f n VAL 135 N -4.84 0.84 1.02 1.05 3.14 -1.26 -1.70 118.33 116.57 3i4f n VAL 135 Ca 0.19 0.19 0.12 0.00 -2.96 0.00 0.00 64.34 61.89 3i4f n VAL 135 Cb 0.48 -1.03 0.34 0.00 -1.06 0.00 0.00 33.84 32.56 3i4f n VAL 135 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3i4f n ASP 136 N -1.94 0.42 -4.76 6.55 8.00 -0.36 -4.93 116.55 119.53 3i4f n ASP 136 Ca 0.03 -0.13 -0.41 0.00 0.71 0.00 0.00 54.79 54.99 3i4f n ASP 136 Cb 0.23 0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 3i4f n ASP 136 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i4f s TYR 137 N -2.97 2.96 0.39 1.24 1.51 -0.69 -5.01 117.35 114.78 3i4f s TYR 137 Ca 0.12 1.13 -0.24 0.00 -1.01 0.00 0.00 57.07 57.08 3i4f s TYR 137 Cb 0.18 -3.82 -0.09 0.00 -0.11 0.00 0.00 41.96 38.11 3i4f s TYR 137 CO 0.65 -2.55 1.02 -1.21 -1.11 0.00 0.00 175.55 172.35 3i4f s GLU 138 N -0.96 4.24 0.29 -0.62 0.41 -1.26 -4.91 118.70 115.89 3i4f s GLU 138 Ca 0.56 1.43 0.05 0.00 -0.41 0.00 0.00 54.97 56.60 3i4f s GLU 138 Cb -0.42 -2.53 0.74 0.00 -1.78 0.00 0.00 34.13 30.14 3i4f s GLU 138 CO 0.49 -0.06 1.72 1.49 -0.49 0.00 0.00 175.26 178.40 3i4f h GLU 139 N 2.52 0.48 -0.77 1.61 4.81 -2.00 0.12 114.58 121.36 3i4f h GLU 139 Ca -0.48 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 3i4f h GLU 139 Cb 1.21 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3i4f h GLU 139 CO 0.63 0.31 0.41 -0.44 -0.73 0.00 0.00 179.01 179.19 3i4f h ASP 140 N 0.49 0.96 0.18 1.04 3.32 -1.99 -1.25 116.42 119.17 3i4f h ASP 140 Ca 0.57 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 3i4f h ASP 140 Cb 1.04 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3i4f h ASP 140 CO -0.49 0.77 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.39 3i4f h GLU 141 N 1.07 -0.23 -0.25 3.56 5.08 -1.17 -1.58 114.58 121.07 3i4f h GLU 141 Ca 0.27 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 3i4f h GLU 141 Cb 0.04 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 3i4f h GLU 141 CO -0.04 -0.02 -0.27 2.35 -1.00 0.00 0.00 179.01 180.02 3i4f h TRP 142 N -0.41 -0.73 -0.69 4.33 2.91 -1.18 -2.77 115.95 117.42 3i4f h TRP 142 Ca -0.02 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 3i4f h TRP 142 Cb 0.31 0.36 -0.03 0.00 -0.51 0.00 0.00 29.16 29.29 3i4f h TRP 142 CO -0.02 -0.35 0.34 -0.91 -1.03 0.00 0.00 178.44 176.48 3i4f h ASN 143 N -0.28 0.87 -0.58 2.65 2.35 -1.19 -2.11 115.58 117.30 3i4f h ASN 143 Ca 0.14 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3i4f h ASN 143 Cb 0.49 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 3i4f h ASN 143 CO -0.41 0.74 0.34 -0.08 -1.65 0.00 0.00 177.43 176.38 3i4f h GLU 144 N 0.97 0.65 0.02 0.81 4.81 -1.06 0.14 114.58 120.93 3i4f h GLU 144 Ca 0.24 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3i4f h GLU 144 Cb 0.09 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3i4f h GLU 144 CO -0.03 0.43 -0.01 0.52 -0.73 0.00 0.00 179.01 179.19 3i4f h MET 145 N 0.67 -0.03 0.34 1.92 2.86 -1.19 0.49 114.93 120.00 3i4f h MET 145 Ca 0.24 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 3i4f h MET 145 Cb 0.05 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3i4f h MET 145 CO -0.12 0.21 -0.16 0.82 1.06 0.00 0.00 176.91 178.73 3i4f h ILE 146 N -0.27 0.68 -0.63 -1.22 1.08 -1.31 -0.35 117.51 115.49 3i4f h ILE 146 Ca -0.00 -0.09 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3i4f h ILE 146 Cb 0.26 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 3i4f h ILE 146 CO 0.01 0.02 0.21 1.56 -0.69 0.00 0.00 178.15 179.26 3i4f h GLN 147 N -0.50 0.98 -0.13 2.37 1.08 -0.78 0.41 115.11 118.53 3i4f h GLN 147 Ca -0.05 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 56.83 3i4f h GLN 147 Cb 0.38 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3i4f h GLN 147 CO 0.08 0.85 -0.47 0.78 -0.95 0.00 0.00 178.83 179.11 3i4f h GLY 148 N 0.91 0.37 0.00 3.46 0.00 0.06 -0.61 103.07 107.25 3i4f h GLY 148 Ca 0.21 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.99 3i4f h GLY 148 CO -0.01 0.35 -1.71 0.70 0.00 0.00 0.00 176.54 175.87 3i4f n ASN 149 N -3.98 2.29 -0.01 0.19 3.02 -0.15 -4.60 115.26 112.03 3i4f n ASN 149 Ca -0.02 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.49 3i4f n ASN 149 Cb 0.53 0.92 -0.02 0.00 -0.61 0.00 0.00 39.78 40.61 3i4f n ASN 149 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3i4f n LEU 150 N -2.31 1.42 0.05 3.41 7.94 0.05 -4.58 117.00 122.98 3i4f n LEU 150 Ca -0.15 0.22 -0.00 0.00 -1.11 0.00 0.00 56.01 54.96 3i4f n LEU 150 Cb 0.75 -0.50 0.29 0.00 0.53 0.00 0.00 43.42 44.49 3i4f n LEU 150 CO 0.24 -0.49 0.84 0.74 -1.11 0.00 0.00 177.39 177.61 3i4f h THR 151 N -0.43 1.22 -0.75 1.96 2.02 -1.42 -1.60 112.91 113.92 3i4f h THR 151 Ca -0.02 -0.98 0.09 0.00 0.77 0.00 0.00 66.41 66.27 3i4f h THR 151 Cb 0.49 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 3i4f h THR 151 CO -0.01 0.31 0.40 0.00 0.37 0.00 0.00 175.52 176.59 3i4f h ALA 152 N 1.48 1.04 -0.37 6.16 0.00 -1.33 -1.09 119.26 125.15 3i4f h ALA 152 Ca 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3i4f h ALA 152 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i4f h ALA 152 CO 0.03 0.03 -0.06 0.28 0.00 0.00 0.00 179.25 179.53 3i4f h VAL 153 N 0.69 1.27 -0.20 0.00 2.07 -1.55 -1.35 116.25 117.19 3i4f h VAL 153 Ca 0.36 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.83 3i4f h VAL 153 Cb 0.33 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3i4f h VAL 153 CO -0.24 0.37 -0.15 0.15 0.02 0.00 0.00 177.57 177.72 3i4f h PHE 154 N 0.49 -0.37 -0.47 1.57 3.57 -1.19 0.11 116.94 120.65 3i4f h PHE 154 Ca 0.10 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.70 3i4f h PHE 154 Cb 0.55 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 3i4f h PHE 154 CO 0.05 -0.22 0.08 0.45 -2.23 0.00 0.00 178.31 176.44 3i4f h HIS 155 N -0.15 0.13 -0.22 0.41 3.86 -0.82 0.57 115.15 118.93 3i4f h HIS 155 Ca 0.12 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3i4f h HIS 155 Cb 0.33 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3i4f h HIS 155 CO -0.30 -0.02 0.06 -0.07 0.86 0.00 0.00 177.93 178.46 3i4f h LEU 156 N 0.21 0.33 -0.99 2.43 3.38 -0.87 -2.87 115.31 116.94 3i4f h LEU 156 Ca 0.24 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3i4f h LEU 156 Cb 0.31 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3i4f h LEU 156 CO -0.32 0.47 0.64 -0.07 0.09 0.00 0.00 178.44 179.25 3i4f h LEU 157 N 0.17 1.04 -2.18 1.67 3.38 -0.38 0.28 115.31 119.29 3i4f h LEU 157 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i4f h LEU 157 Cb 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3i4f h LEU 157 CO 0.00 0.68 -0.02 0.50 0.09 0.00 0.00 178.44 179.69 3i4f h LYS 158 N 1.19 0.00 0.06 1.13 1.63 -0.73 -0.09 116.57 119.76 3i4f h LYS 158 Ca 0.41 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.85 3i4f h LYS 158 Cb 0.10 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 3i4f h LYS 158 CO -0.15 0.02 -2.12 1.28 -3.45 0.00 0.00 179.45 175.03 3i4f n LEU 159 N -4.14 2.60 0.03 5.20 4.77 -0.39 -4.62 117.00 120.45 3i4f n LEU 159 Ca -0.03 0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.87 3i4f n LEU 159 Cb 0.11 -1.01 -0.14 0.00 -2.33 0.00 0.00 43.42 40.05 3i4f n LEU 159 CO 0.31 0.79 -0.46 0.58 -1.33 0.00 0.00 177.39 177.28 3i4f h VAL 160 N -0.17 1.00 -0.71 4.08 2.07 -0.34 -3.37 116.25 118.81 3i4f h VAL 160 Ca -0.49 -2.43 0.14 0.00 0.82 0.00 0.00 66.70 64.74 3i4f h VAL 160 Cb 1.87 2.74 -0.13 0.00 -1.52 0.00 0.00 31.29 34.24 3i4f h VAL 160 CO -0.05 0.76 -0.17 0.58 0.02 0.00 0.00 177.57 178.70 3i4f h VAL 161 N -0.17 0.29 -1.00 2.57 2.07 -1.22 -0.34 116.25 118.45 3i4f h VAL 161 Ca -0.32 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.30 3i4f h VAL 161 Cb 1.87 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 3i4f h VAL 161 CO 0.10 0.00 0.64 -0.65 0.02 0.00 0.00 177.57 177.68 3i4f h PRO 162 N 0.00 1.04 -0.56 1.57 0.11 -1.78 0.14 132.00 132.52 3i4f h PRO 162 Ca 0.34 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3i4f h PRO 162 Cb 0.52 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 3i4f h PRO 162 CO -0.73 0.69 0.31 0.28 -0.21 0.00 0.00 178.00 178.34 3i4f h VAL 163 N 1.07 1.18 -0.43 3.15 2.07 -1.29 -2.40 116.25 119.59 3i4f h VAL 163 Ca 0.46 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3i4f h VAL 163 Cb 0.34 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3i4f h VAL 163 CO -0.22 0.20 -0.06 0.24 0.02 0.00 0.00 177.57 177.75 3i4f h MET 164 N 0.76 0.74 -0.10 1.57 2.86 0.02 -2.11 114.93 118.67 3i4f h MET 164 Ca 0.20 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3i4f h MET 164 Cb 0.04 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 3i4f h MET 164 CO -0.03 0.80 0.02 0.00 1.06 0.00 0.00 176.91 178.76 3i4f h ARG 165 N 0.69 0.16 -0.65 1.72 3.08 -0.64 -0.41 114.38 118.33 3i4f h ARG 165 Ca 0.13 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.24 3i4f h ARG 165 Cb 0.51 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3i4f h ARG 165 CO 0.03 0.34 0.44 0.87 -1.07 0.00 0.00 179.97 180.58 3i4f h LYS 166 N -0.04 0.44 0.00 0.04 1.57 -1.36 -0.36 116.57 116.86 3i4f h LYS 166 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3i4f h LYS 166 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3i4f h LYS 166 CO 0.00 0.29 0.00 1.96 -0.57 0.00 0.00 179.45 181.13 3i4f h GLN 167 N 0.45 0.00 -2.75 3.15 4.20 -0.79 -3.47 115.11 115.90 3i4f h GLN 167 Ca 0.31 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.61 3i4f h GLN 167 Cb 0.59 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 3i4f h GLN 167 CO -0.09 0.00 -0.50 -1.71 -0.67 0.00 0.00 178.83 175.86 3i4f n ASN 168 N -2.96 -5.74 -3.65 1.46 2.85 -0.15 -4.98 115.26 102.09 3i4f n ASN 168 Ca 0.03 0.07 -0.11 0.00 -0.11 0.00 0.00 54.58 54.47 3i4f n ASN 168 Cb 0.46 -4.82 -0.08 0.00 1.24 0.00 0.00 39.78 36.58 3i4f n ASN 168 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 3i4f s PHE 169 N -2.97 -0.83 -0.10 1.20 5.36 -0.76 -4.30 117.98 115.57 3i4f s PHE 169 Ca 0.00 1.83 -0.30 0.00 -0.96 0.00 0.00 56.93 57.50 3i4f s PHE 169 Cb 0.00 0.39 0.11 0.00 -0.34 0.00 0.00 43.02 43.18 3i4f s PHE 169 CO 0.00 -0.41 0.90 0.20 -1.46 0.00 0.00 175.22 174.45 3i4f s GLY 170 N 0.94 -0.38 -0.15 13.12 0.00 -0.60 -4.58 107.32 115.68 3i4f s GLY 170 Ca -0.05 1.68 -0.02 0.00 0.00 0.00 0.00 44.72 46.33 3i4f s GLY 170 CO -0.08 0.89 -0.01 0.50 0.00 0.00 0.00 173.10 174.40 3i4f s ARG 171 N -1.49 0.93 -0.17 2.90 1.81 -0.63 -1.68 118.95 120.61 3i4f s ARG 171 Ca -0.03 -0.32 -0.05 0.00 -1.72 0.00 0.00 55.73 53.61 3i4f s ARG 171 Cb -0.00 -1.78 -0.03 0.00 -0.45 0.00 0.00 34.95 32.69 3i4f s ARG 171 CO 0.02 -0.48 0.01 0.42 -0.68 0.00 0.00 175.30 174.59 3i4f s ILE 172 N 1.81 4.22 -0.19 1.52 1.01 0.55 -0.42 121.20 129.70 3i4f s ILE 172 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3i4f s ILE 172 Cb -0.15 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.48 3i4f s ILE 172 CO -0.07 0.47 -0.10 -0.63 0.00 0.00 0.00 174.94 174.60 3i4f s ILE 173 N 0.50 1.61 0.34 2.92 -1.09 0.28 -1.15 121.20 124.60 3i4f s ILE 173 Ca -0.01 -0.96 0.07 0.00 -2.23 0.00 0.00 60.65 57.53 3i4f s ILE 173 Cb -0.14 -1.67 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 3i4f s ILE 173 CO 0.02 0.19 0.31 0.20 -1.23 0.00 0.00 174.94 174.43 3i4f s ASN 174 N 1.42 5.31 -0.04 3.58 0.01 0.04 -1.41 114.94 123.83 3i4f s ASN 174 Ca -0.01 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 51.70 3i4f s ASN 174 Cb -0.16 -0.95 -0.02 0.00 0.41 0.00 0.00 41.25 40.53 3i4f s ASN 174 CO -0.08 -0.38 -0.19 -0.31 -1.51 0.00 0.00 177.10 174.63 3i4f s TYR 175 N -2.31 2.57 0.00 2.20 1.51 -1.26 -0.84 117.35 119.21 3i4f s TYR 175 Ca 0.42 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 3i4f s TYR 175 Cb -0.06 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 3i4f s TYR 175 CO 0.27 0.08 0.00 0.41 -1.11 0.00 0.00 175.55 175.20 3i4f n GLY 176 N 2.41 5.07 3.24 0.71 0.00 -0.40 -4.92 105.19 111.31 3i4f n GLY 176 Ca -0.17 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 3i4f n GLY 176 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i4f s PHE 177 N 2.71 1.05 0.13 1.61 -0.71 -1.26 -4.35 117.98 117.16 3i4f s PHE 177 Ca 0.00 -1.30 -0.31 0.00 -1.04 0.00 0.00 56.93 54.28 3i4f s PHE 177 Cb 0.00 -0.47 -0.10 0.00 -1.21 0.00 0.00 43.02 41.24 3i4f s PHE 177 CO 0.00 -0.68 1.75 1.14 -1.34 0.00 0.00 175.22 176.09 3i4f s GLN 178 N -4.14 4.16 0.00 1.99 1.03 -1.25 -1.70 119.66 119.74 3i4f s GLN 178 Ca 0.37 2.52 0.00 0.00 0.04 0.00 0.00 55.36 58.28 3i4f s GLN 178 Cb 0.06 -3.47 0.00 0.00 0.03 0.00 0.00 33.01 29.63 3i4f s GLN 178 CO 0.11 -0.78 0.00 0.41 -2.54 0.00 0.00 175.29 172.49 3i4f n GLY 179 N 4.10 1.19 0.44 2.60 0.00 -1.26 -4.75 105.19 107.50 3i4f n GLY 179 Ca 0.17 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.44 3i4f n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4f h ALA 180 N 0.00 2.57 0.00 4.61 0.00 -1.73 -0.73 119.26 123.98 3i4f h ALA 180 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i4f h ALA 180 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i4f h ALA 180 CO 0.00 -0.99 -0.01 0.22 0.00 0.00 0.00 179.25 178.47 3i4f h ASP 181 N 0.00 0.00 -0.46 0.00 3.58 -1.92 -2.26 116.42 115.36 3i4f h ASP 181 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 3i4f h ASP 181 Cb 1.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.62 3i4f h ASP 181 CO -0.00 0.01 0.00 -1.54 -2.88 0.00 0.00 179.24 174.83 3i4f n SER 182 N -3.12 2.98 -3.75 2.28 3.41 -0.28 -4.95 113.62 110.19 3i4f n SER 182 Ca -0.01 -2.15 -0.30 0.00 -0.26 0.00 0.00 58.87 56.15 3i4f n SER 182 Cb 0.24 -0.40 0.03 0.00 -0.26 0.00 0.00 64.21 63.82 3i4f n SER 182 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4f n ALA 183 N 0.81 -2.42 -2.47 7.33 0.00 -0.85 -4.94 120.51 117.96 3i4f n ALA 183 Ca 0.17 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 3i4f n ALA 183 Cb 0.52 -3.46 -0.04 0.00 0.00 0.00 0.00 19.45 16.48 3i4f n ALA 183 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i4f s PRO 184 N -6.15 3.69 0.79 0.00 0.04 -1.26 -5.08 135.00 127.03 3i4f s PRO 184 Ca 0.36 0.11 -0.11 0.00 0.04 0.00 0.00 61.00 61.40 3i4f s PRO 184 Cb -0.13 -2.64 0.07 0.00 0.04 0.00 0.00 34.50 31.84 3i4f s PRO 184 CO 0.87 0.24 1.10 0.20 0.04 0.00 0.00 177.00 179.44 3i4f s GLY 185 N -2.89 1.62 -0.27 0.56 0.00 -1.26 -4.87 107.32 100.22 3i4f s GLY 185 Ca 0.45 -0.22 -0.00 0.00 0.00 0.00 0.00 44.72 44.95 3i4f s GLY 185 CO 0.27 0.20 0.39 0.86 0.00 0.00 0.00 173.10 174.82 3i4f s TRP 186 N -3.18 -0.89 0.08 1.90 -0.11 -1.26 -5.04 118.94 110.44 3i4f s TRP 186 Ca 0.61 0.52 -0.35 0.00 1.22 0.00 0.00 56.10 58.10 3i4f s TRP 186 Cb -0.14 -0.10 -0.14 0.00 -1.50 0.00 0.00 33.47 31.59 3i4f s TRP 186 CO 0.54 -0.86 1.60 1.51 -4.62 0.00 0.00 176.95 175.11 3i4f n ILE 187 N 5.36 0.12 -0.83 5.86 3.06 -1.26 -0.99 119.36 130.68 3i4f n ILE 187 Ca -0.01 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 3i4f n ILE 187 Cb 0.49 -1.46 0.00 0.00 0.54 0.00 0.00 39.64 39.22 3i4f n ILE 187 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3i4f n TYR 188 N 3.92 0.00 -1.89 9.51 4.01 -1.26 -4.80 117.16 126.64 3i4f n TYR 188 Ca 0.19 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.95 3i4f n TYR 188 Cb 0.26 -0.62 0.14 0.00 -0.31 0.00 0.00 39.34 38.81 3i4f n TYR 188 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3i4f n ARG 189 N -1.91 1.38 -0.14 -0.72 3.00 -0.16 -4.21 116.66 113.90 3i4f n ARG 189 Ca 0.00 -3.07 -0.10 0.00 -0.01 0.00 0.00 57.85 54.67 3i4f n ARG 189 Cb 0.03 -1.28 -0.05 0.00 0.00 0.00 0.00 32.46 31.16 3i4f n ARG 189 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i4f h SER 190 N 1.15 -1.47 -0.20 0.55 4.64 -1.85 0.13 113.55 116.50 3i4f h SER 190 Ca -0.03 0.22 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3i4f h SER 190 Cb 1.27 0.64 -0.00 0.00 -0.31 0.00 0.00 62.40 64.00 3i4f h SER 190 CO 0.10 -0.36 -0.13 0.00 -0.87 0.00 0.00 176.83 175.56 3i4f h ALA 191 N 0.43 0.29 -0.28 5.18 0.00 -1.92 -0.65 119.26 122.31 3i4f h ALA 191 Ca 0.14 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3i4f h ALA 191 Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i4f h ALA 191 CO -0.60 0.16 0.12 0.35 0.00 0.00 0.00 179.25 179.28 3i4f h PHE 192 N 0.13 0.23 -0.28 0.00 3.57 -1.88 -1.87 116.94 116.83 3i4f h PHE 192 Ca 0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3i4f h PHE 192 Cb 0.64 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3i4f h PHE 192 CO 0.07 0.12 0.10 0.00 -2.23 0.00 0.00 178.31 176.37 3i4f h ALA 193 N 1.15 0.37 -0.64 2.41 0.00 -0.61 -0.63 119.26 121.31 3i4f h ALA 193 Ca 0.12 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3i4f h ALA 193 Cb 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3i4f h ALA 193 CO -0.09 -0.01 0.35 0.00 0.00 0.00 0.00 179.25 179.50 3i4f h ALA 194 N 0.93 0.85 -0.17 0.00 0.00 -1.03 0.17 119.26 120.02 3i4f h ALA 194 Ca 0.09 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3i4f h ALA 194 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i4f h ALA 194 CO -0.00 0.01 -0.55 0.00 0.00 0.00 0.00 179.25 178.71 3i4f h ALA 195 N 1.34 0.73 -0.01 0.00 0.00 -1.13 -0.95 119.26 119.25 3i4f h ALA 195 Ca 0.29 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 3i4f h ALA 195 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i4f h ALA 195 CO -0.19 0.69 -0.86 0.87 0.00 0.00 0.00 179.25 179.77 3i4f h LYS 196 N 0.39 0.24 -0.13 0.00 1.79 -0.77 -0.97 116.57 117.13 3i4f h LYS 196 Ca 0.01 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.15 3i4f h LYS 196 Cb 1.09 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3i4f h LYS 196 CO 0.10 0.96 -0.23 0.28 -1.08 0.00 0.00 179.45 179.49 3i4f h VAL 197 N 0.14 1.37 -0.88 0.50 2.07 -0.63 -2.38 116.25 116.44 3i4f h VAL 197 Ca -0.05 -1.48 0.17 0.00 0.82 0.00 0.00 66.70 66.16 3i4f h VAL 197 Cb 1.48 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 33.18 3i4f h VAL 197 CO 0.13 0.43 0.46 1.23 0.02 0.00 0.00 177.57 179.84 3i4f h GLY 198 N -0.04 1.47 1.91 2.17 0.00 -1.18 -1.62 103.07 105.78 3i4f h GLY 198 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3i4f h GLY 198 CO 0.05 -0.08 -0.04 -2.00 0.00 0.00 0.00 176.54 174.47 3i4f h LEU 199 N 0.60 0.10 -0.01 3.11 5.85 -0.89 -1.55 115.31 122.52 3i4f h LEU 199 Ca 0.50 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.21 3i4f h LEU 199 Cb 0.76 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3i4f h LEU 199 CO -0.39 0.16 0.01 0.58 -0.34 0.00 0.00 178.44 178.46 3i4f h VAL 200 N 0.11 1.01 -0.31 1.05 2.07 -0.78 -0.04 116.25 119.36 3i4f h VAL 200 Ca 0.03 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3i4f h VAL 200 Cb 0.15 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3i4f h VAL 200 CO 0.01 0.01 -0.01 -1.28 0.02 0.00 0.00 177.57 176.31 3i4f h SER 201 N 0.01 -0.15 -0.59 0.57 0.87 -1.30 -2.23 113.55 110.74 3i4f h SER 201 Ca 0.00 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3i4f h SER 201 Cb 0.00 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 3i4f h SER 201 CO -0.00 -0.04 0.34 0.25 -0.53 0.00 0.00 176.83 176.85 3i4f h LEU 202 N 0.07 0.74 -0.60 2.23 5.85 -0.99 -0.65 115.31 121.97 3i4f h LEU 202 Ca 0.15 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 3i4f h LEU 202 Cb 0.20 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3i4f h LEU 202 CO -0.26 0.59 -0.44 0.74 -0.34 0.00 0.00 178.44 178.73 3i4f h THR 203 N 0.84 1.30 -0.08 1.05 2.02 -0.67 -2.12 112.91 115.25 3i4f h THR 203 Ca 0.22 -1.62 -0.04 0.00 0.77 0.00 0.00 66.41 65.73 3i4f h THR 203 Cb 0.00 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3i4f h THR 203 CO -0.04 0.51 -0.12 0.11 0.37 0.00 0.00 175.52 176.35 3i4f h LYS 204 N 0.50 0.23 -0.47 6.66 1.57 -0.76 -1.55 116.57 122.74 3i4f h LYS 204 Ca 0.04 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3i4f h LYS 204 Cb 0.96 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 3i4f h LYS 204 CO 0.09 0.70 0.22 1.15 -0.57 0.00 0.00 179.45 181.04 3i4f h THR 205 N -0.23 0.94 -0.27 -0.16 2.02 -1.14 -1.48 112.91 112.58 3i4f h THR 205 Ca 0.01 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 3i4f h THR 205 Cb 0.68 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3i4f h THR 205 CO 0.03 0.08 -0.21 0.58 0.37 0.00 0.00 175.52 176.37 3i4f h VAL 206 N 0.44 1.26 -0.66 3.16 2.07 -1.42 0.09 116.25 121.18 3i4f h VAL 206 Ca 0.21 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3i4f h VAL 206 Cb 0.13 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3i4f h VAL 206 CO -0.16 0.38 0.35 0.00 0.02 0.00 0.00 177.57 178.16 3i4f h ALA 207 N 1.33 0.85 -0.07 1.67 0.00 -0.60 -1.64 119.26 120.81 3i4f h ALA 207 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3i4f h ALA 207 Cb 0.62 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i4f h ALA 207 CO 0.04 0.38 -0.10 1.88 0.00 0.00 0.00 179.25 181.46 3i4f h TYR 208 N 0.91 0.23 -0.15 0.00 0.05 -0.92 -2.72 116.97 114.37 3i4f h TYR 208 Ca 0.23 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 3i4f h TYR 208 Cb 0.06 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3i4f h TYR 208 CO -0.00 0.67 -0.18 0.93 -1.05 0.00 0.00 178.16 178.53 3i4f h GLU 209 N -0.28 0.24 -0.01 4.88 5.08 -0.99 -3.28 114.58 120.22 3i4f h GLU 209 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3i4f h GLU 209 Cb 0.65 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3i4f h GLU 209 CO 0.02 0.42 -0.26 0.39 -1.00 0.00 0.00 179.01 178.58 3i4f n GLU 210 N -4.23 1.67 -0.29 2.33 -0.58 -0.62 -4.61 120.64 114.32 3i4f n GLU 210 Ca -0.01 -0.87 0.10 0.00 -0.42 0.00 0.00 57.16 55.97 3i4f n GLU 210 Cb 0.31 -1.25 0.24 0.00 -0.57 0.00 0.00 31.44 30.17 3i4f n GLU 210 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i4f h ALA 211 N 2.66 1.09 0.00 0.62 0.00 -1.54 -0.50 119.26 121.59 3i4f h ALA 211 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i4f h ALA 211 Cb 0.53 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i4f h ALA 211 CO 0.00 -0.46 0.00 -0.85 0.00 0.00 0.00 179.25 177.94 3i4f n GLU 212 N -5.29 0.02 -0.25 0.00 0.28 -1.26 -1.89 120.64 112.25 3i4f n GLU 212 Ca 0.19 0.36 0.08 0.00 -0.16 0.00 0.00 57.16 57.62 3i4f n GLU 212 Cb 0.61 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.20 3i4f n GLU 212 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3i4f n TYR 213 N -1.45 0.66 -1.15 -1.84 4.01 -0.20 -4.95 117.16 112.24 3i4f n TYR 213 Ca 0.02 -0.51 -0.03 0.00 -0.16 0.00 0.00 57.90 57.22 3i4f n TYR 213 Cb 0.07 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.06 3i4f n TYR 213 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i4f n GLY 214 N 0.87 0.58 3.60 2.72 0.00 -0.79 -3.03 105.19 109.14 3i4f n GLY 214 Ca 0.16 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 3i4f n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i4f s ILE 215 N -2.11 4.44 0.08 -0.61 1.01 -1.22 -1.56 121.20 121.22 3i4f s ILE 215 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.55 3i4f s ILE 215 Cb 0.00 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3i4f s ILE 215 CO 0.00 0.50 -0.14 0.42 0.00 0.00 0.00 174.94 175.72 3i4f s THR 216 N 0.12 3.09 -0.06 2.92 -4.23 -0.68 -3.78 115.64 113.03 3i4f s THR 216 Ca 0.03 -1.24 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 3i4f s THR 216 Cb -0.13 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3i4f s THR 216 CO 0.01 0.21 -0.17 0.00 -0.54 0.00 0.00 174.62 174.13 3i4f s ALA 217 N -1.08 1.57 0.03 3.99 0.00 -1.26 -0.33 121.76 124.68 3i4f s ALA 217 Ca 0.18 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 3i4f s ALA 217 Cb -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3i4f s ALA 217 CO 0.09 0.25 0.03 -0.80 0.00 0.00 0.00 175.76 175.33 3i4f s ASN 218 N 0.21 0.26 -0.06 0.00 0.01 -0.30 0.23 114.94 115.28 3i4f s ASN 218 Ca -0.08 -0.61 0.02 0.00 -0.71 0.00 0.00 52.86 51.48 3i4f s ASN 218 Cb -0.13 0.18 -0.03 0.00 0.41 0.00 0.00 41.25 41.67 3i4f s ASN 218 CO 0.03 -0.45 -0.11 -0.32 -1.51 0.00 0.00 177.10 174.75 3i4f s MET 219 N -2.44 2.68 -0.11 -0.60 -2.45 -0.17 -0.78 119.30 115.42 3i4f s MET 219 Ca -0.07 -0.63 -0.00 0.00 -1.25 0.00 0.00 55.69 53.74 3i4f s MET 219 Cb -0.03 -2.49 -0.02 0.00 1.25 0.00 0.00 34.83 33.54 3i4f s MET 219 CO -0.04 0.61 -0.10 0.08 1.05 0.00 0.00 175.02 176.62 3i4f s VAL 220 N -0.68 3.33 -0.34 10.11 1.01 -0.02 -0.52 120.40 133.28 3i4f s VAL 220 Ca 0.10 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3i4f s VAL 220 Cb -0.11 -2.40 0.09 0.00 0.00 0.00 0.00 36.38 33.96 3i4f s VAL 220 CO 0.01 0.54 0.07 0.00 0.00 0.00 0.00 175.10 175.72 3i4f s PRO 222 N 1.04 4.38 0.00 0.00 0.04 -1.26 -0.82 135.00 138.37 3i4f s PRO 222 Ca 0.06 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3i4f s PRO 222 Cb -0.20 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3i4f s PRO 222 CO -0.06 0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3i4f n GLY 223 N -0.03 -0.22 3.56 0.56 0.00 -1.12 -3.87 105.19 104.07 3i4f n GLY 223 Ca 0.05 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 3i4f n GLY 223 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i4f s ASP 224 N -1.03 6.36 -0.29 1.61 1.11 -1.26 -4.94 116.67 118.23 3i4f s ASP 224 Ca 0.00 -1.14 -0.16 0.00 0.18 0.00 0.00 52.55 51.43 3i4f s ASP 224 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 3i4f s ASP 224 CO 0.00 -1.64 0.42 -0.63 1.18 0.00 0.00 175.17 174.50 3i4f s ILE 225 N 5.37 5.13 0.02 0.77 -1.09 -1.26 -4.77 121.20 125.35 3i4f s ILE 225 Ca 0.44 0.54 0.06 0.00 -2.23 0.00 0.00 60.65 59.46 3i4f s ILE 225 Cb -0.02 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 3i4f s ILE 225 CO -0.03 0.06 -0.17 -0.63 -1.23 0.00 0.00 174.94 172.94 3i4f s ILE 226 N 2.17 2.87 0.00 2.92 1.01 -1.26 -4.76 121.20 124.14 3i4f s ILE 226 Ca 0.17 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3i4f s ILE 226 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3i4f s ILE 226 CO 0.11 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3i4f n GLY 227 N 1.75 3.44 0.25 6.18 0.00 -1.26 -2.71 105.19 112.85 3i4f n GLY 227 Ca -0.16 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.86 3i4f n GLY 227 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i4f h GLU 228 N 0.00 0.00 0.00 1.61 4.11 -2.01 -2.88 114.58 115.40 3i4f h GLU 228 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3i4f h GLU 228 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i4f h GLU 228 CO 0.00 0.16 -0.10 0.52 0.07 0.00 0.00 179.01 179.66 3i4f h MET 229 N 0.00 0.00 -0.85 1.06 2.07 -1.85 -2.17 114.93 113.19 3i4f h MET 229 Ca -0.00 0.00 0.06 0.00 -2.07 0.00 0.00 59.70 57.69 3i4f h MET 229 Cb 0.44 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.12 3i4f h MET 229 CO 0.02 0.10 0.56 0.87 1.07 0.00 0.00 176.91 179.53 3i4f h LYS 230 N 0.00 0.94 -0.02 1.72 1.57 -1.68 -2.17 116.57 116.93 3i4f h LYS 230 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i4f h LYS 230 Cb 0.32 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3i4f h LYS 230 CO 0.01 0.62 -0.20 0.39 -0.57 0.00 0.00 179.45 179.70 3i4f n GLU 231 N -4.48 1.78 -1.82 3.15 1.02 -0.86 -2.90 120.64 116.53 3i4f n GLU 231 Ca 0.12 -1.44 -0.31 0.00 -0.02 0.00 0.00 57.16 55.51 3i4f n GLU 231 Cb 0.18 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 3i4f n GLU 231 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i4f s ALA 232 N -2.21 2.89 0.43 0.62 0.00 -0.85 -4.81 121.76 117.82 3i4f s ALA 232 Ca 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 3i4f s ALA 232 Cb 0.19 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 3i4f s ALA 232 CO 0.42 -0.87 0.69 -0.08 0.00 0.00 0.00 175.76 175.92 3i4f s THR 233 N -2.99 4.86 0.22 0.00 -1.32 -1.26 -3.37 115.64 111.78 3i4f s THR 233 Ca 0.58 -0.13 -0.08 0.00 -1.21 0.00 0.00 61.69 60.84 3i4f s THR 233 Cb -0.13 -3.81 0.17 0.00 -1.51 0.00 0.00 72.50 67.22 3i4f s THR 233 CO 0.50 -0.67 1.82 0.40 -2.21 0.00 0.00 174.62 174.45 3i4f h ILE 234 N 0.43 1.25 -0.10 5.08 2.04 -1.97 -2.61 117.51 121.64 3i4f h ILE 234 Ca -0.48 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 64.73 3i4f h ILE 234 Cb 1.22 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3i4f h ILE 234 CO 0.61 0.30 -0.19 -0.61 0.00 0.00 0.00 178.15 178.26 3i4f h GLN 235 N 1.16 -0.25 -0.28 2.37 -0.00 -1.99 -2.01 115.11 114.11 3i4f h GLN 235 Ca 0.28 0.02 0.06 0.00 -0.00 0.00 0.00 58.65 59.01 3i4f h GLN 235 Cb 0.10 0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.58 3i4f h GLN 235 CO -0.04 -0.17 -0.08 0.93 0.00 0.00 0.00 178.83 179.47 3i4f h GLU 236 N -0.26 -0.01 -0.93 1.69 5.08 -1.92 -1.47 114.58 116.75 3i4f h GLU 236 Ca 0.09 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.57 3i4f h GLU 236 Cb 0.39 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 3i4f h GLU 236 CO -0.25 -0.01 0.60 0.00 -1.00 0.00 0.00 179.01 178.34 3i4f h ALA 237 N 1.26 1.65 0.00 3.43 0.00 -1.28 -1.56 119.26 122.75 3i4f h ALA 237 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i4f h ALA 237 Cb 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i4f h ALA 237 CO -0.29 0.13 -0.10 0.00 0.00 0.00 0.00 179.25 178.99 3i4f h ARG 238 N 0.87 0.00 -0.00 0.00 3.08 -0.51 -2.35 114.38 115.48 3i4f h ARG 238 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3i4f h ARG 238 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3i4f h ARG 238 CO -0.21 0.10 -0.40 1.04 -1.07 0.00 0.00 179.97 179.42 3i4f n GLN 239 N -3.44 0.32 -0.02 0.04 6.02 -0.60 -5.06 117.38 114.63 3i4f n GLN 239 Ca -0.01 -0.18 -0.04 0.00 -0.01 0.00 0.00 57.00 56.75 3i4f n GLN 239 Cb 0.25 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 3i4f n GLN 239 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i4f n LEU 240 N -1.18 2.54 -3.95 1.08 4.77 -0.88 -5.12 117.00 114.25 3i4f n LEU 240 Ca 0.08 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 3i4f n LEU 240 Cb 0.34 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.12 3i4f n LEU 240 CO 0.31 0.50 -0.39 0.00 -1.33 0.00 0.00 177.39 176.49 3i4f s ARG 249 N -2.10 0.33 0.39 3.23 1.70 -1.26 -5.11 118.95 116.13 3i4f s ARG 249 Ca -0.07 -0.27 -0.26 0.00 -0.47 0.00 0.00 55.73 54.67 3i4f s ARG 249 Cb 0.02 -0.25 -0.09 0.00 -0.57 0.00 0.00 34.95 34.06 3i4f s ARG 249 CO 0.11 0.06 1.25 0.45 -1.08 0.00 0.00 175.30 176.09 3i4f s SER 250 N -0.43 6.45 0.80 -2.89 0.15 -1.26 -5.02 113.70 111.51 3i4f s SER 250 Ca -0.02 2.55 -0.13 0.00 0.70 0.00 0.00 55.95 59.05 3i4f s SER 250 Cb -0.03 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.73 3i4f s SER 250 CO -0.00 -0.74 1.17 -0.83 1.20 0.00 0.00 173.24 174.04 3i4f s GLY 251 N -0.84 2.02 0.33 9.45 0.00 -1.26 -4.89 107.32 112.12 3i4f s GLY 251 Ca 0.56 0.70 0.03 0.00 0.00 0.00 0.00 44.72 46.01 3i4f s GLY 251 CO 0.46 1.11 0.11 -0.51 0.00 0.00 0.00 173.10 174.26 3i4f s THR 252 N -2.34 0.71 0.40 0.90 -4.23 -1.26 -4.76 115.64 105.07 3i4f s THR 252 Ca 0.70 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 3i4f s THR 252 Cb -0.25 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.24 3i4f s THR 252 CO 0.51 0.00 2.03 1.23 -0.54 0.00 0.00 174.62 177.85 3i4f h GLY 253 N 2.11 0.51 2.00 3.99 0.00 -1.33 -2.85 103.07 107.49 3i4f h GLY 253 Ca -0.37 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 3i4f h GLY 253 CO 0.61 0.21 -0.34 -2.09 0.00 0.00 0.00 176.54 174.92 3i4f h GLU 254 N 0.48 0.00 -0.45 4.80 4.81 -1.82 0.43 114.58 122.83 3i4f h GLU 254 Ca 0.12 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3i4f h GLU 254 Cb 0.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3i4f h GLU 254 CO -0.02 0.34 0.28 -0.44 -0.73 0.00 0.00 179.01 178.44 3i4f h ASP 255 N 0.00 0.46 -0.37 1.04 3.32 -1.84 -0.96 116.42 118.07 3i4f h ASP 255 Ca -0.00 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3i4f h ASP 255 Cb 0.64 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3i4f h ASP 255 CO 0.04 0.33 0.02 0.40 -1.72 0.00 0.00 179.24 178.32 3i4f h ILE 256 N 0.56 1.25 -0.54 0.35 1.08 -1.41 -3.03 117.51 115.77 3i4f h ILE 256 Ca 0.18 -0.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.76 3i4f h ILE 256 Cb -0.01 1.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.83 3i4f h ILE 256 CO -0.07 0.31 0.28 0.00 -0.69 0.00 0.00 178.15 177.98 3i4f h ALA 257 N 0.89 0.69 0.00 1.87 0.00 -0.70 -1.44 119.26 120.58 3i4f h ALA 257 Ca 0.11 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3i4f h ALA 257 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3i4f h ALA 257 CO 0.01 -0.06 -0.45 0.07 0.00 0.00 0.00 179.25 178.83 3i4f h ARG 258 N 0.54 0.00 -0.01 0.00 0.11 -1.17 0.05 114.38 113.89 3i4f h ARG 258 Ca 0.24 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.31 3i4f h ARG 258 Cb 0.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 3i4f h ARG 258 CO -0.16 0.45 -0.00 1.15 0.10 0.00 0.00 179.97 181.51 3i4f h THR 259 N 0.00 1.29 -0.93 0.08 2.02 -1.36 -2.14 112.91 111.88 3i4f h THR 259 Ca -0.00 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.34 3i4f h THR 259 Cb 1.08 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 69.29 3i4f h THR 259 CO 0.06 0.23 0.61 0.40 0.37 0.00 0.00 175.52 177.19 3i4f h ILE 260 N -0.33 1.15 -0.61 3.11 2.04 -1.08 -0.92 117.51 120.87 3i4f h ILE 260 Ca 0.00 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 3i4f h ILE 260 Cb 0.38 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3i4f h ILE 260 CO 0.00 0.21 0.24 -1.28 0.00 0.00 0.00 178.15 177.32 3i4f h SER 261 N 1.17 0.84 -0.51 1.72 0.87 -0.97 -1.74 113.55 114.94 3i4f h SER 261 Ca 0.37 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 3i4f h SER 261 Cb 0.01 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3i4f h SER 261 CO -0.12 0.78 0.14 0.15 -0.53 0.00 0.00 176.83 177.25 3i4f h PHE 262 N 0.84 0.83 0.00 2.24 3.57 -0.95 -2.64 116.94 120.84 3i4f h PHE 262 Ca 0.20 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3i4f h PHE 262 Cb 0.21 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3i4f h PHE 262 CO 0.01 0.73 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.60 3i4f h LEU 263 N 0.70 0.00 0.00 0.59 3.38 -1.01 -2.92 115.31 116.04 3i4f h LEU 263 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i4f h LEU 263 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3i4f h LEU 263 CO -0.00 0.15 -0.17 0.00 0.09 0.00 0.00 178.44 178.51 3i4f s GLU 265 N -3.10 2.30 0.40 0.00 2.02 -1.09 -4.92 118.70 114.31 3i4f s GLU 265 Ca 0.10 1.83 0.10 0.00 0.02 0.00 0.00 54.97 57.01 3i4f s GLU 265 Cb 0.14 -1.84 0.89 0.00 0.10 0.00 0.00 34.13 33.41 3i4f s GLU 265 CO 0.62 -1.73 1.99 -0.44 0.02 0.00 0.00 175.26 175.72 3i4f h ASP 266 N -0.02 0.50 -0.47 -0.19 3.32 -1.91 -2.38 116.42 115.27 3i4f h ASP 266 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3i4f h ASP 266 Cb 1.30 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3i4f h ASP 266 CO 0.51 0.32 0.00 0.47 -1.72 0.00 0.00 179.24 178.82 3i4f n ASP 267 N -4.48 2.56 -1.83 6.45 8.00 -1.26 -3.72 116.55 122.27 3i4f n ASP 267 Ca 0.09 -2.02 -0.09 0.00 0.71 0.00 0.00 54.79 53.47 3i4f n ASP 267 Cb 0.25 -0.32 0.21 0.00 -0.02 0.00 0.00 41.12 41.24 3i4f n ASP 267 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3i4f n SER 268 N 0.86 4.07 0.27 -2.24 7.64 -0.90 -4.54 113.62 118.78 3i4f n SER 268 Ca 0.16 -3.07 0.13 0.00 1.01 0.00 0.00 58.87 57.10 3i4f n SER 268 Cb 0.41 -0.72 0.76 0.00 -1.01 0.00 0.00 64.21 63.64 3i4f n SER 268 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3i4f h ASP 269 N 1.73 0.00 1.02 6.43 2.03 -1.77 -2.57 116.42 123.29 3i4f h ASP 269 Ca 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 3i4f h ASP 269 Cb 2.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.68 3i4f h ASP 269 CO 0.69 0.10 -0.37 0.23 -1.03 0.00 0.00 179.24 178.87 3i4f n MET 270 N -3.62 0.22 -2.86 4.15 2.81 -1.26 -4.73 117.12 111.84 3i4f n MET 270 Ca -0.02 0.11 -0.43 0.00 -1.81 0.00 0.00 57.70 55.55 3i4f n MET 270 Cb 0.22 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 31.01 3i4f n MET 270 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3i4f s ILE 271 N -3.11 4.55 -0.05 2.02 1.01 -0.97 -5.01 121.20 119.64 3i4f s ILE 271 Ca 0.09 0.79 -0.26 0.00 0.00 0.00 0.00 60.65 61.27 3i4f s ILE 271 Cb 0.14 -4.37 0.06 0.00 0.01 0.00 0.00 42.46 38.29 3i4f s ILE 271 CO 0.66 -0.72 0.57 0.28 0.00 0.00 0.00 174.94 175.73 3i4f s THR 272 N 3.56 0.02 -1.43 2.92 -1.32 -1.26 -4.74 115.64 113.39 3i4f s THR 272 Ca 0.35 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 3i4f s THR 272 Cb -0.11 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 3i4f s THR 272 CO 0.23 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 3i4f n GLY 273 N 1.14 0.66 3.88 6.08 0.00 0.14 -4.98 105.19 112.10 3i4f n GLY 273 Ca -0.19 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 3i4f n GLY 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4f s THR 274 N -2.65 4.93 -0.21 2.61 -4.23 -1.26 -4.86 115.64 109.98 3i4f s THR 274 Ca 0.00 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 3i4f s THR 274 Cb 0.00 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.32 3i4f s THR 274 CO 0.00 -0.10 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.26 3i4f s ILE 275 N -1.75 2.87 -0.30 2.99 1.09 -1.26 -1.00 121.20 123.84 3i4f s ILE 275 Ca 0.33 -0.74 -0.06 0.00 -1.10 0.00 0.00 60.65 59.08 3i4f s ILE 275 Cb -0.11 -2.32 0.02 0.00 -1.06 0.00 0.00 42.46 39.00 3i4f s ILE 275 CO 0.26 0.41 0.06 -0.63 -0.10 0.00 0.00 174.94 174.94 3i4f s ILE 276 N 1.39 3.68 -0.08 2.92 1.01 0.32 -4.99 121.20 125.45 3i4f s ILE 276 Ca 0.04 -0.94 -0.27 0.00 0.00 0.00 0.00 60.65 59.49 3i4f s ILE 276 Cb -0.14 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 3i4f s ILE 276 CO -0.06 -0.00 0.86 -1.61 0.00 0.00 0.00 174.94 174.12 3i4f s GLU 277 N 1.42 4.43 -0.60 2.79 2.02 -1.26 -1.03 118.70 126.47 3i4f s GLU 277 Ca 0.00 1.14 0.06 0.00 0.02 0.00 0.00 54.97 56.20 3i4f s GLU 277 Cb -0.18 -3.50 0.27 0.00 0.10 0.00 0.00 34.13 30.82 3i4f s GLU 277 CO 0.01 -0.12 0.77 0.28 0.02 0.00 0.00 175.26 176.22 3i4f n VAL 278 N 4.17 2.22 0.05 2.63 0.31 -0.00 -4.81 118.33 122.90 3i4f n VAL 278 Ca 0.04 -5.19 0.05 0.00 -0.01 0.00 0.00 64.34 59.23 3i4f n VAL 278 Cb 0.50 -1.91 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 3i4f n VAL 278 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3i4f n THR 279 N 0.66 0.00 -3.45 2.52 -2.24 -1.26 -2.77 114.28 107.73 3i4f n THR 279 Ca 0.29 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 3i4f n THR 279 Cb 0.42 0.36 0.07 0.00 -2.10 0.00 0.00 70.33 69.08 3i4f n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i4f n GLY 280 N 1.84 -0.41 2.76 3.38 0.00 -1.26 -3.42 105.19 108.08 3i4f n GLY 280 Ca -0.01 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3i4f n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4f n ALA 281 N -4.66 -0.83 -3.14 4.61 0.00 -1.26 -4.99 120.51 110.23 3i4f n ALA 281 Ca -0.00 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 3i4f n ALA 281 Cb 0.56 -3.11 -0.13 0.00 0.00 0.00 0.00 19.45 16.78 3i4f n ALA 281 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i4f s VAL 282 N -3.10 4.06 0.12 0.00 0.11 -1.22 -5.09 120.40 115.27 3i4f s VAL 282 Ca 0.17 -0.26 -0.31 0.00 -2.93 0.00 0.00 61.98 58.65 3i4f s VAL 282 Cb -0.08 -2.87 -0.08 0.00 -1.53 0.00 0.00 36.38 31.82 3i4f s VAL 282 CO 0.21 0.38 1.41 -0.62 -3.33 0.00 0.00 175.10 173.16 3i4f s ASP 283 N 1.40 6.80 -0.20 3.54 2.15 -1.26 -4.86 116.67 124.23 3i4f s ASP 283 Ca 0.05 2.35 -0.09 0.00 0.43 0.00 0.00 52.55 55.30 3i4f s ASP 283 Cb -0.15 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 39.79 3i4f s ASP 283 CO 0.02 -0.68 -0.25 0.52 -0.17 0.00 0.00 175.17 174.61 3i4f n VAL 284 N 3.99 1.11 1.37 1.11 0.31 -1.26 -4.81 118.33 120.15 3i4f n VAL 284 Ca 0.12 -0.30 0.12 0.00 -0.01 0.00 0.00 64.34 64.26 3i4f n VAL 284 Cb 0.42 -1.69 0.45 0.00 -0.91 0.00 0.00 33.84 32.10 3i4f n VAL 284 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3i4f n ILE 285 N -3.80 0.12 0.06 2.52 -5.35 -1.26 -5.10 119.36 106.56 3i4f n ILE 285 Ca -0.39 -0.29 0.01 0.00 -0.27 0.00 0.00 62.75 61.80 3i4f n ILE 285 Cb 0.79 0.38 0.01 0.00 -1.74 0.00 0.00 39.64 39.08 3i4f n ILE 285 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20