#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 3.57 0.10 1.97 0.11 -1.26 -5.09 120.40 119.80 3i4f s VAL 38 Ca 0.00 -0.84 -0.31 0.00 -2.93 0.00 0.00 61.98 57.90 3i4f s VAL 38 Cb 0.00 -2.55 -0.08 0.00 -1.53 0.00 0.00 36.38 32.22 3i4f s VAL 38 CO 0.00 0.37 1.43 -0.13 -3.33 0.00 0.00 175.10 173.44 3i4f s ARG 39 N -1.47 4.30 -0.10 1.54 1.81 -1.26 -4.83 118.95 118.94 3i4f s ARG 39 Ca 0.17 2.11 -0.03 0.00 -1.72 0.00 0.00 55.73 56.26 3i4f s ARG 39 Cb -0.11 -3.31 -0.03 0.00 -0.45 0.00 0.00 34.95 31.05 3i4f s ARG 39 CO 0.08 -0.49 0.03 -1.58 -0.68 0.00 0.00 175.30 172.66 3i4f s HIS 40 N 1.40 3.26 0.04 -0.53 5.65 -1.26 -2.01 115.29 121.84 3i4f s HIS 40 Ca 0.66 0.26 0.07 0.00 0.25 0.00 0.00 55.06 56.29 3i4f s HIS 40 Cb -0.37 -1.83 -0.03 0.00 -1.18 0.00 0.00 32.58 29.17 3i4f s HIS 40 CO 0.30 0.51 -0.17 0.00 -0.65 0.00 0.00 174.74 174.73 3i4f s ALA 41 N -0.86 2.64 -0.25 1.58 0.00 0.47 -0.63 121.76 124.70 3i4f s ALA 41 Ca 0.13 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 3i4f s ALA 41 Cb -0.12 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.27 3i4f s ALA 41 CO 0.03 0.58 -0.07 -1.17 0.00 0.00 0.00 175.76 175.12 3i4f s LEU 42 N -1.49 3.26 -0.18 0.00 2.96 0.54 -0.30 118.68 123.47 3i4f s LEU 42 Ca 0.15 -1.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.08 3i4f s LEU 42 Cb -0.11 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.97 3i4f s LEU 42 CO 0.06 -0.15 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.27 3i4f s ILE 43 N 1.28 1.91 0.06 6.68 2.07 -0.58 -0.83 121.20 131.78 3i4f s ILE 43 Ca -0.02 -0.96 -0.30 0.00 -1.41 0.00 0.00 60.65 57.97 3i4f s ILE 43 Cb -0.17 -1.80 -0.05 0.00 0.13 0.00 0.00 42.46 40.57 3i4f s ILE 43 CO -0.05 0.41 1.08 0.42 -1.91 0.00 0.00 174.94 174.89 3i4f s THR 44 N 1.33 4.38 -1.04 4.00 -4.23 -0.97 -2.17 115.64 116.94 3i4f s THR 44 Ca 0.03 1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 62.26 3i4f s THR 44 Cb -0.14 -4.14 0.01 0.00 1.34 0.00 0.00 72.50 69.57 3i4f s THR 44 CO -0.11 0.18 0.89 0.00 -0.54 0.00 0.00 174.62 175.04 3i4f n ALA 45 N 3.58 -1.21 1.34 3.99 0.00 -1.12 -2.12 120.51 124.97 3i4f n ALA 45 Ca 0.06 0.21 0.05 0.00 0.00 0.00 0.00 53.44 53.75 3i4f n ALA 45 Cb 0.48 -3.71 0.15 0.00 0.00 0.00 0.00 19.45 16.38 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 -1.51 -0.02 0.52 0.00 0.00 -1.02 -3.74 105.19 99.42 3i4f n GLY 46 Ca -0.07 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 0.10 0.00 -4.18 2.61 -2.24 -1.26 -3.47 114.28 105.84 3i4f n THR 47 Ca 0.09 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 3i4f n THR 47 Cb 0.19 1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 3i4f n THR 47 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i4f s LYS 48 N -1.22 0.93 2.04 -0.78 1.02 -1.25 -4.72 119.74 115.76 3i4f s LYS 48 Ca 0.15 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.73 3i4f s LYS 48 Cb 0.11 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 3i4f s LYS 48 CO 0.19 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 3i4f n GLY 49 N -0.11 1.90 0.18 -3.33 0.00 -1.26 -2.31 105.19 100.26 3i4f n GLY 49 Ca -0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.35 -1.56 0.99 4.07 -1.92 -1.66 115.31 114.88 3i4f h LEU 50 Ca 0.00 0.12 0.29 0.00 0.08 0.00 0.00 57.88 58.38 3i4f h LEU 50 Cb 0.00 0.25 -0.08 0.00 1.08 0.00 0.00 40.66 41.91 3i4f h LEU 50 CO 0.00 -0.12 0.72 1.23 -1.08 0.00 0.00 178.44 179.19 3i4f h GLY 51 N 0.03 0.85 0.96 0.83 0.00 -1.68 -1.24 103.07 102.83 3i4f h GLY 51 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3i4f h GLY 51 CO -0.43 -0.11 0.19 1.70 0.00 0.00 0.00 176.54 177.89 3i4f h LYS 52 N 0.26 0.47 -0.24 4.80 3.64 -0.88 0.12 116.57 124.74 3i4f h LYS 52 Ca 0.59 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.79 3i4f h LYS 52 Cb 1.76 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 3i4f h LYS 52 CO -0.22 0.39 -0.38 1.96 -2.27 0.00 0.00 179.45 178.94 3i4f h GLN 53 N 0.43 0.55 0.09 1.90 1.08 -1.32 -0.39 115.11 117.44 3i4f h GLN 53 Ca 0.12 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3i4f h GLN 53 Cb 0.05 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3i4f h GLN 53 CO -0.02 0.84 -0.04 0.28 -0.95 0.00 0.00 178.83 178.94 3i4f h VAL 54 N 0.46 1.05 -0.69 -0.54 2.07 -1.05 0.36 116.25 117.90 3i4f h VAL 54 Ca 0.04 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.13 3i4f h VAL 54 Cb 0.86 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 3i4f h VAL 54 CO 0.07 0.13 0.34 0.74 0.02 0.00 0.00 177.57 178.87 3i4f h THR 55 N -0.36 0.84 -0.42 2.57 2.02 -0.71 -1.95 112.91 114.90 3i4f h THR 55 Ca -0.01 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 3i4f h THR 55 Cb 0.30 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3i4f h THR 55 CO 0.02 0.11 0.03 -0.33 0.37 0.00 0.00 175.52 175.71 3i4f h GLU 56 N 0.58 0.67 -0.04 6.66 5.08 -0.67 -2.10 114.58 124.76 3i4f h GLU 56 Ca 0.34 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3i4f h GLU 56 Cb 0.36 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3i4f h GLU 56 CO -0.27 0.67 0.00 -0.22 -1.00 0.00 0.00 179.01 178.20 3i4f h LYS 57 N 0.64 0.07 -0.37 2.33 1.63 -0.34 -2.07 116.57 118.46 3i4f h LYS 57 Ca 0.13 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 3i4f h LYS 57 Cb 0.36 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3i4f h LYS 57 CO 0.01 0.32 -0.10 -0.07 -3.45 0.00 0.00 179.45 176.15 3i4f h LEU 58 N -0.19 0.61 -0.44 5.20 3.38 -1.27 -0.28 115.31 122.33 3i4f h LEU 58 Ca 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3i4f h LEU 58 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3i4f h LEU 58 CO 0.00 0.75 0.13 -0.07 0.09 0.00 0.00 178.44 179.34 3i4f h LEU 59 N 0.58 0.64 -1.39 1.67 3.38 -1.39 0.05 115.31 118.86 3i4f h LEU 59 Ca 0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3i4f h LEU 59 Cb 0.52 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3i4f h LEU 59 CO 0.03 0.69 0.10 0.00 0.09 0.00 0.00 178.44 179.35 3i4f h ALA 60 N 0.98 1.51 0.00 1.53 0.00 -0.88 -1.84 119.26 120.56 3i4f h ALA 60 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i4f h ALA 60 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i4f h ALA 60 CO -0.00 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.24 3i4f n LYS 61 N -4.36 0.90 -0.17 0.00 5.02 -0.16 -4.89 118.16 114.49 3i4f n LYS 61 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3i4f n LYS 61 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3i4f n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i4f n GLY 62 N 0.79 0.63 3.82 0.72 0.00 -0.69 -5.07 105.19 105.39 3i4f n GLY 62 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.30 3.20 0.26 1.61 2.02 -0.01 -4.90 117.35 117.23 3i4f s TYR 63 Ca 0.00 1.54 -0.16 0.00 -0.37 0.00 0.00 57.07 58.08 3i4f s TYR 63 Cb 0.00 -2.92 -0.08 0.00 -0.40 0.00 0.00 41.96 38.55 3i4f s TYR 63 CO 0.00 -0.57 0.69 -1.54 -1.57 0.00 0.00 175.55 172.56 3i4f s SER 64 N -2.50 6.85 -0.01 2.29 1.04 -0.85 -4.28 113.70 116.24 3i4f s SER 64 Ca 0.63 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.32 3i4f s SER 64 Cb -0.13 -2.36 0.02 0.00 0.10 0.00 0.00 66.02 63.65 3i4f s SER 64 CO 0.25 -0.09 0.01 -0.69 0.98 0.00 0.00 173.24 173.70 3i4f s VAL 65 N -1.77 0.02 -0.26 5.02 1.01 0.17 -0.40 120.40 124.19 3i4f s VAL 65 Ca 0.48 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 3i4f s VAL 65 Cb -0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3i4f s VAL 65 CO 0.19 0.06 0.11 -0.89 0.00 0.00 0.00 175.10 174.57 3i4f s THR 66 N 0.56 4.64 -0.06 3.92 2.01 0.60 -1.64 115.64 125.68 3i4f s THR 66 Ca -0.05 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.92 3i4f s THR 66 Cb -0.07 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 3i4f s THR 66 CO -0.01 0.31 -0.11 0.68 -0.69 0.00 0.00 174.62 174.80 3i4f s VAL 67 N 1.66 3.38 0.08 3.82 -7.23 0.40 -1.53 120.40 120.98 3i4f s VAL 67 Ca 0.07 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 3i4f s VAL 67 Cb -0.15 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3i4f s VAL 67 CO 0.06 0.59 0.18 0.42 -0.31 0.00 0.00 175.10 176.04 3i4f s THR 68 N -0.78 5.14 -0.02 5.32 -4.23 -0.92 -0.43 115.64 119.73 3i4f s THR 68 Ca 0.12 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 60.09 3i4f s THR 68 Cb -0.11 -3.52 0.02 0.00 1.34 0.00 0.00 72.50 70.23 3i4f s THR 68 CO 0.01 0.11 0.04 -0.72 -0.54 0.00 0.00 174.62 173.52 3i4f s TYR 69 N -1.51 -0.02 0.00 3.99 -0.85 -0.65 -2.43 117.35 115.88 3i4f s TYR 69 Ca 0.33 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 3i4f s TYR 69 Cb -0.13 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.12 3i4f s TYR 69 CO 0.26 -0.06 0.00 1.58 -1.52 0.00 0.00 175.55 175.82 3i4f n HIS 70 N 3.62 0.00 -0.13 -3.49 -0.00 -1.24 -1.17 115.22 112.80 3i4f n HIS 70 Ca -0.20 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.24 3i4f n HIS 70 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.44 3i4f n HIS 70 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3i4f n SER 71 N 0.00 1.91 -4.57 0.26 2.88 -1.26 -4.56 113.62 108.28 3i4f n SER 71 Ca 0.00 0.29 -0.17 0.00 -1.33 0.00 0.00 58.87 57.66 3i4f n SER 71 Cb 0.00 -0.76 -0.08 0.00 -0.75 0.00 0.00 64.21 62.62 3i4f n SER 71 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i4f s ASP 72 N -7.34 4.01 0.29 -3.46 -1.08 -1.26 -4.76 116.67 103.07 3i4f s ASP 72 Ca -0.37 -0.44 -0.01 0.00 -0.52 0.00 0.00 52.55 51.21 3i4f s ASP 72 Cb 0.14 -2.57 0.44 0.00 -1.46 0.00 0.00 42.92 39.47 3i4f s ASP 72 CO 0.48 -3.91 1.85 0.71 0.52 0.00 0.00 175.17 174.82 3i4f h THR 73 N 7.27 1.22 -0.94 1.71 1.35 -1.98 -2.97 112.91 118.57 3i4f h THR 73 Ca 0.03 -0.75 0.09 0.00 -0.55 0.00 0.00 66.41 65.23 3i4f h THR 73 Cb 1.00 0.64 -0.08 0.00 -1.73 0.00 0.00 68.15 67.98 3i4f h THR 73 CO 1.05 0.29 0.58 0.74 -0.25 0.00 0.00 175.52 177.93 3i4f h THR 74 N 0.79 0.97 0.34 6.82 2.02 -1.99 -1.39 112.91 120.47 3i4f h THR 74 Ca 0.18 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3i4f h THR 74 Cb 0.25 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3i4f h THR 74 CO -0.01 0.18 -0.18 0.00 0.37 0.00 0.00 175.52 175.88 3i4f h ALA 75 N 1.48 -0.48 0.00 6.16 0.00 -1.88 -2.44 119.26 122.11 3i4f h ALA 75 Ca 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3i4f h ALA 75 Cb 0.35 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i4f h ALA 75 CO -0.23 -0.77 -0.08 0.00 0.00 0.00 0.00 179.25 178.17 3i4f h MET 76 N -0.48 0.00 -0.25 0.00 -0.00 -1.50 -2.56 114.93 110.13 3i4f h MET 76 Ca -0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.47 3i4f h MET 76 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 3i4f h MET 76 CO 0.06 0.08 -0.56 0.93 -0.00 0.00 0.00 176.91 177.43 3i4f h GLU 77 N 0.00 0.82 0.00 -0.10 4.39 -0.93 0.14 114.58 118.90 3i4f h GLU 77 Ca -0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3i4f h GLU 77 Cb 0.34 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3i4f h GLU 77 CO 0.01 1.18 0.00 1.79 -1.16 0.00 0.00 179.01 180.83 3i4f h THR 78 N 0.59 0.00 0.00 1.13 1.35 -1.13 -2.48 112.91 112.37 3i4f h THR 78 Ca 0.00 -0.94 -0.20 0.00 -0.55 0.00 0.00 66.41 64.72 3i4f h THR 78 Cb 1.17 1.94 -0.03 0.00 -1.73 0.00 0.00 68.15 69.50 3i4f h THR 78 CO 0.12 0.00 -1.18 -0.03 -0.25 0.00 0.00 175.52 174.18 3i4f h MET 79 N 0.00 0.00 0.27 4.72 1.85 -1.43 -2.88 114.93 117.46 3i4f h MET 79 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3i4f h MET 79 Cb 0.94 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.95 3i4f h MET 79 CO 0.00 0.60 -0.31 0.87 -0.40 0.00 0.00 176.91 177.68 3i4f h LYS 80 N 0.00 -0.60 -0.17 0.39 1.79 -0.53 -2.96 116.57 114.50 3i4f h LYS 80 Ca -0.12 0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 3i4f h LYS 80 Cb 1.72 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.50 3i4f h LYS 80 CO 0.08 -0.40 -0.35 1.49 -1.08 0.00 0.00 179.45 179.20 3i4f h GLU 81 N -0.62 0.53 -0.87 3.15 4.57 -1.56 -2.19 114.58 117.59 3i4f h GLU 81 Ca -0.01 -0.35 0.22 0.00 -1.18 0.00 0.00 59.36 58.05 3i4f h GLU 81 Cb 0.58 0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 29.09 3i4f h GLU 81 CO -0.08 0.96 0.30 1.15 -1.18 0.00 0.00 179.01 180.15 3i4f h THR 82 N 0.17 0.41 -0.42 0.32 2.02 -1.60 -2.62 112.91 111.19 3i4f h THR 82 Ca 0.00 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 3i4f h THR 82 Cb 0.94 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3i4f h THR 82 CO 0.08 0.06 0.05 -1.22 0.37 0.00 0.00 175.52 174.86 3i4f n TYR 83 N -5.13 1.43 -0.31 3.16 4.01 -1.12 -4.65 117.16 114.54 3i4f n TYR 83 Ca 0.21 -1.08 0.10 0.00 -0.16 0.00 0.00 57.90 56.97 3i4f n TYR 83 Cb 0.64 -0.46 0.27 0.00 -0.31 0.00 0.00 39.34 39.49 3i4f n TYR 83 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i4f h LYS 84 N 2.01 0.60 -0.88 -0.72 3.11 -1.00 -1.62 116.57 118.07 3i4f h LYS 84 Ca 0.11 -0.04 0.08 0.00 -2.81 0.00 0.00 60.65 57.99 3i4f h LYS 84 Cb 1.75 -0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 32.77 3i4f h LYS 84 CO 0.40 0.39 0.54 -0.44 -2.81 0.00 0.00 179.45 177.54 3i4f h ASP 85 N 0.61 0.82 -0.96 4.20 5.19 -1.84 -1.89 116.42 122.55 3i4f h ASP 85 Ca 0.52 0.03 -0.54 0.00 -0.62 0.00 0.00 57.03 56.42 3i4f h ASP 85 Cb 0.82 -0.14 -0.30 0.00 0.18 0.00 0.00 39.33 39.90 3i4f h ASP 85 CO -0.41 0.50 0.66 1.33 -3.12 0.00 0.00 179.24 178.20 3i4f n VAL 86 N -4.64 3.27 -0.31 -1.35 0.24 -0.67 -4.74 118.33 110.13 3i4f n VAL 86 Ca 0.14 -2.22 0.17 0.00 -2.04 0.00 0.00 64.34 60.39 3i4f n VAL 86 Cb 0.22 -0.63 0.36 0.00 -1.47 0.00 0.00 33.84 32.33 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 1.24 0.27 -0.56 7.34 -0.00 -0.73 -1.57 114.58 120.57 3i4f h GLU 87 Ca 0.61 -0.02 0.03 0.00 -0.00 0.00 0.00 59.36 59.99 3i4f h GLU 87 Cb 2.33 -0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 30.98 3i4f h GLU 87 CO 1.18 0.18 0.37 1.05 -0.00 0.00 0.00 179.01 181.79 3i4f h GLU 88 N 0.28 0.62 -0.00 1.06 4.11 -1.86 -2.66 114.58 116.13 3i4f h GLU 88 Ca 0.62 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 60.02 3i4f h GLU 88 Cb 1.32 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3i4f h GLU 88 CO -0.62 0.41 -0.12 0.54 0.07 0.00 0.00 179.01 179.28 3i4f n ARG 89 N -4.47 0.55 -4.49 1.06 1.74 -0.59 -4.91 116.66 105.56 3i4f n ARG 89 Ca 0.07 -0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 56.77 3i4f n ARG 89 Cb 0.14 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.57 2.04 -0.14 0.55 2.96 -1.00 -0.65 118.68 119.85 3i4f s LEU 90 Ca 0.26 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3i4f s LEU 90 Cb 0.20 -0.59 0.07 0.00 0.50 0.00 0.00 46.19 46.37 3i4f s LEU 90 CO 0.50 0.13 0.30 -1.58 -1.32 0.00 0.00 176.35 174.37 3i4f s GLN 91 N -0.35 0.19 -0.10 1.98 0.74 -0.65 -4.91 119.66 116.55 3i4f s GLN 91 Ca 0.04 0.81 -0.16 0.00 0.05 0.00 0.00 55.36 56.10 3i4f s GLN 91 Cb -0.05 0.05 -0.05 0.00 1.10 0.00 0.00 33.01 34.06 3i4f s GLN 91 CO -0.00 -0.28 0.40 -0.06 -0.55 0.00 0.00 175.29 174.80 3i4f s PHE 92 N 2.44 3.55 -0.08 1.67 0.08 -1.26 -0.46 117.98 123.92 3i4f s PHE 92 Ca 0.00 0.82 0.00 0.00 0.12 0.00 0.00 56.93 57.87 3i4f s PHE 92 Cb -0.12 -2.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.93 3i4f s PHE 92 CO -0.09 0.30 -0.06 0.08 -0.10 0.00 0.00 175.22 175.35 3i4f s VAL 93 N 0.18 0.81 0.10 -0.44 1.01 0.43 -4.95 120.40 117.55 3i4f s VAL 93 Ca 0.22 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 3i4f s VAL 93 Cb -0.15 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 3i4f s VAL 93 CO 0.09 0.32 1.30 -1.58 0.00 0.00 0.00 175.10 175.23 3i4f s GLN 94 N 1.45 4.37 -0.28 2.72 -0.44 -1.26 -1.64 119.66 124.58 3i4f s GLN 94 Ca -0.01 1.95 -0.19 0.00 -2.50 0.00 0.00 55.36 54.60 3i4f s GLN 94 Cb -0.13 -3.28 0.09 0.00 -1.64 0.00 0.00 33.01 28.05 3i4f s GLN 94 CO -0.04 -0.34 0.77 0.00 0.50 0.00 0.00 175.29 176.18 3i4f s ALA 95 N 0.98 -1.92 -0.52 1.58 0.00 -0.32 -4.88 121.76 116.68 3i4f s ALA 95 Ca 0.61 2.24 -0.23 0.00 0.00 0.00 0.00 51.96 54.59 3i4f s ALA 95 Cb -0.34 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.41 3i4f s ALA 95 CO 0.30 -0.35 0.86 0.34 0.00 0.00 0.00 175.76 176.91 3i4f s ASP 96 N 1.15 6.34 0.00 0.00 -1.08 -1.26 -3.63 116.67 118.18 3i4f s ASP 96 Ca -0.06 -0.39 0.12 0.00 -0.52 0.00 0.00 52.55 51.70 3i4f s ASP 96 Cb -0.05 -2.40 0.70 0.00 -1.46 0.00 0.00 42.92 39.71 3i4f s ASP 96 CO -0.13 -1.11 1.32 1.33 0.52 0.00 0.00 175.17 177.11 3i4f n VAL 97 N 6.09 0.00 1.06 1.11 0.24 -1.26 -1.82 118.33 123.75 3i4f n VAL 97 Ca 0.01 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.42 3i4f n VAL 97 Cb 0.47 -0.31 0.10 0.00 -1.47 0.00 0.00 33.84 32.64 3i4f n VAL 97 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i4f n THR 98 N -0.72 0.00 -3.90 3.34 -2.24 -1.26 -4.82 114.28 104.68 3i4f n THR 98 Ca 0.09 -0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 3i4f n THR 98 Cb 0.04 0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.73 3.89 0.20 -0.78 3.01 -0.76 -4.93 119.74 117.64 3i4f s LYS 99 Ca 0.15 -0.37 -0.10 0.00 -1.01 0.00 0.00 55.97 54.64 3i4f s LYS 99 Cb 0.18 -3.29 0.24 0.00 -1.01 0.00 0.00 37.83 33.95 3i4f s LYS 99 CO 0.67 0.10 1.75 -0.22 0.51 0.00 0.00 175.35 178.17 3i4f h LYS 100 N 7.27 0.42 -0.89 1.68 3.64 -1.90 -2.00 116.57 124.80 3i4f h LYS 100 Ca -0.37 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.99 3i4f h LYS 100 Cb 1.17 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 3i4f h LYS 100 CO 0.65 0.28 0.58 0.93 -2.27 0.00 0.00 179.45 179.63 3i4f h GLU 101 N 0.43 1.18 -0.03 1.90 3.07 -1.94 -1.64 114.58 117.55 3i4f h GLU 101 Ca 0.29 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 3i4f h GLU 101 Cb 0.32 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3i4f h GLU 101 CO -0.27 0.79 -0.48 -0.44 -1.40 0.00 0.00 179.01 177.21 3i4f h ASP 102 N 1.21 0.08 -0.59 1.42 5.19 -1.68 -2.54 116.42 119.52 3i4f h ASP 102 Ca 0.33 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.62 3i4f h ASP 102 Cb -0.13 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 3i4f h ASP 102 CO -0.07 0.55 0.06 -0.07 -3.12 0.00 0.00 179.24 176.59 3i4f h LEU 103 N 0.06 0.97 -1.36 1.55 3.38 -0.62 -2.28 115.31 117.01 3i4f h LEU 103 Ca 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i4f h LEU 103 Cb 0.87 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3i4f h LEU 103 CO 0.07 1.01 0.34 0.45 0.09 0.00 0.00 178.44 180.40 3i4f h HIS 104 N 0.90 0.75 -0.22 1.13 3.86 -1.25 -2.99 115.15 117.33 3i4f h HIS 104 Ca 0.17 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 3i4f h HIS 104 Cb 0.48 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 3i4f h HIS 104 CO 0.04 0.50 -0.36 -0.22 0.86 0.00 0.00 177.93 178.75 3i4f h LYS 105 N 0.79 0.63 -0.61 2.45 3.64 -0.99 -1.47 116.57 121.01 3i4f h LYS 105 Ca 0.21 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3i4f h LYS 105 Cb -0.03 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3i4f h LYS 105 CO -0.04 1.00 0.26 -0.84 -2.27 0.00 0.00 179.45 177.56 3i4f h ILE 106 N 0.32 1.23 -0.15 2.00 3.07 -1.44 0.18 117.51 122.73 3i4f h ILE 106 Ca 0.02 -0.68 -0.01 0.00 1.55 0.00 0.00 64.86 65.74 3i4f h ILE 106 Cb 0.95 0.54 -0.01 0.00 -0.27 0.00 0.00 36.82 38.03 3i4f h ILE 106 CO 0.08 0.27 0.05 0.58 -1.05 0.00 0.00 178.15 178.08 3i4f h VAL 107 N 0.84 1.17 -0.33 0.16 2.07 -1.50 -0.49 116.25 118.18 3i4f h VAL 107 Ca 0.21 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3i4f h VAL 107 Cb 0.17 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3i4f h VAL 107 CO -0.02 0.16 0.19 -0.08 0.02 0.00 0.00 177.57 177.84 3i4f h GLU 108 N 0.06 0.44 0.15 1.57 4.81 -1.16 -0.87 114.58 119.58 3i4f h GLU 108 Ca 0.05 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 58.94 3i4f h GLU 108 Cb 0.21 -0.10 0.03 0.00 0.63 0.00 0.00 28.75 29.52 3i4f h GLU 108 CO -0.00 0.31 -1.29 0.93 -0.73 0.00 0.00 179.01 178.24 3i4f h GLU 109 N 0.45 0.54 -0.32 1.92 5.08 -0.61 -1.83 114.58 119.81 3i4f h GLU 109 Ca 0.12 -0.78 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 3i4f h GLU 109 Cb -0.01 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3i4f h GLU 109 CO -0.02 1.36 0.16 0.00 -1.00 0.00 0.00 179.01 179.51 3i4f h ALA 110 N 0.33 0.41 -0.37 3.43 0.00 -0.90 -2.16 119.26 120.00 3i4f h ALA 110 Ca -0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3i4f h ALA 110 Cb 1.97 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 3i4f h ALA 110 CO 0.24 -0.05 0.15 0.52 0.00 0.00 0.00 179.25 180.10 3i4f h MET 111 N 0.38 0.52 0.48 0.00 2.86 -1.23 -0.09 114.93 117.86 3i4f h MET 111 Ca 0.11 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3i4f h MET 111 Cb 0.09 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3i4f h MET 111 CO -0.02 0.44 -0.23 0.77 1.06 0.00 0.00 176.91 178.93 3i4f h SER 112 N 0.52 -0.55 0.49 1.22 0.02 -1.04 -1.08 113.55 113.14 3i4f h SER 112 Ca 0.13 -0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.76 3i4f h SER 112 Cb 0.11 0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.81 3i4f h SER 112 CO -0.01 -0.34 -1.36 0.45 -1.14 0.00 0.00 176.83 174.43 3i4f h HIS 113 N -0.72 0.65 0.00 3.45 3.86 -1.28 -3.39 115.15 117.71 3i4f h HIS 113 Ca -0.07 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 3i4f h HIS 113 Cb 0.53 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3i4f h HIS 113 CO -0.03 1.39 -0.57 1.19 0.86 0.00 0.00 177.93 180.77 3i4f n PHE 114 N -3.58 0.00 -0.32 2.45 3.72 -0.06 -5.01 117.46 114.66 3i4f n PHE 114 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3i4f n PHE 114 Cb 1.05 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 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 1.48 1.54 3.27 1.37 0.00 -0.41 -4.96 105.19 107.48 3i4f n GLY 115 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.12 0.85 -0.24 1.61 -2.85 -1.26 -4.93 119.74 112.81 3i4f s LYS 116 Ca 0.00 -0.48 0.01 0.00 -1.00 0.00 0.00 55.97 54.50 3i4f s LYS 116 Cb 0.00 0.37 0.06 0.00 -2.06 0.00 0.00 37.83 36.20 3i4f s LYS 116 CO 0.00 -0.28 -0.05 0.42 0.10 0.00 0.00 175.35 175.54 3i4f s ILE 117 N -2.60 1.52 -0.20 3.79 1.01 -1.26 -4.69 121.20 118.77 3i4f s ILE 117 Ca -0.05 -1.24 -0.08 0.00 0.00 0.00 0.00 60.65 59.29 3i4f s ILE 117 Cb -0.01 -1.80 -0.20 0.00 0.01 0.00 0.00 42.46 40.46 3i4f s ILE 117 CO -0.03 -0.12 0.06 0.47 0.00 0.00 0.00 174.94 175.32 3i4f n ASP 118 N 4.67 2.01 -4.25 3.58 8.00 0.20 -4.66 116.55 126.10 3i4f n ASP 118 Ca -0.12 0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 3i4f n ASP 118 Cb 0.44 -0.74 -0.17 0.00 -0.02 0.00 0.00 41.12 40.63 3i4f n ASP 118 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3i4f s PHE 119 N -2.51 2.57 -0.24 1.24 0.08 -0.61 -1.84 117.98 116.67 3i4f s PHE 119 Ca -0.30 -0.95 -0.05 0.00 0.12 0.00 0.00 56.93 55.76 3i4f s PHE 119 Cb 0.08 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 3i4f s PHE 119 CO 0.65 -0.36 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.23 3i4f s LEU 120 N 0.25 3.15 -0.30 -0.37 2.96 0.63 -0.34 118.68 124.66 3i4f s LEU 120 Ca -0.15 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 3i4f s LEU 120 Cb -0.17 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 44.82 3i4f s LEU 120 CO 0.08 -0.06 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.41 3i4f s ILE 121 N 1.49 2.14 -1.42 6.68 1.01 -0.01 -0.01 121.20 131.08 3i4f s ILE 121 Ca 0.05 -1.98 -0.11 0.00 0.00 0.00 0.00 60.65 58.61 3i4f s ILE 121 Cb -0.15 -2.44 0.06 0.00 0.01 0.00 0.00 42.46 39.94 3i4f s ILE 121 CO -0.01 -0.37 2.31 0.59 0.00 0.00 0.00 174.94 177.46 3i4f n ASN 122 N 4.37 5.83 0.14 3.58 3.02 -0.08 -2.30 115.26 129.81 3i4f n ASN 122 Ca -0.04 -2.91 0.01 0.00 -0.03 0.00 0.00 54.58 51.62 3i4f n ASN 122 Cb 0.42 -1.54 0.12 0.00 -0.61 0.00 0.00 39.78 38.17 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 5.52 0.00 -4.20 6.41 -1.24 -1.84 -3.38 115.58 116.85 3i4f h ASN 123 Ca 0.60 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 57.12 3i4f h ASN 123 Cb 0.51 0.00 0.13 0.00 0.73 0.00 0.00 38.32 39.70 3i4f h ASN 123 CO 1.74 0.59 0.29 0.00 -1.29 0.00 0.00 177.43 178.76 3i4f s ALA 124 N -3.23 1.94 0.00 1.57 0.00 -0.90 -4.90 121.76 116.24 3i4f s ALA 124 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3i4f s ALA 124 Cb 0.10 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3i4f s ALA 124 CO 0.74 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3i4f n GLY 125 N -1.31 1.21 3.45 0.00 0.00 -1.26 -4.95 105.19 102.33 3i4f n GLY 125 Ca 0.08 0.42 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 3i4f n GLY 125 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i4f n PRO 126 N 0.00 0.57 -3.71 1.61 -0.02 -1.26 -5.03 135.00 127.16 3i4f n PRO 126 Ca 0.00 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.54 3i4f n PRO 126 Cb 0.00 -1.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.82 3i4f n PRO 126 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3i4f s TYR 127 N -1.48 -0.17 -0.55 6.00 5.04 -1.26 -4.91 117.35 120.03 3i4f s TYR 127 Ca 0.63 0.54 -0.24 0.00 -2.44 0.00 0.00 57.07 55.56 3i4f s TYR 127 Cb -0.60 -0.16 0.04 0.00 0.35 0.00 0.00 41.96 41.59 3i4f s TYR 127 CO 0.58 -0.21 0.96 0.08 -1.34 0.00 0.00 175.55 175.62 3i4f s VAL 128 N 1.68 4.36 0.32 3.14 1.01 -1.26 -4.92 120.40 124.73 3i4f s VAL 128 Ca -0.04 0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.35 3i4f s VAL 128 Cb -0.12 -4.55 0.06 0.00 0.00 0.00 0.00 36.38 31.77 3i4f s VAL 128 CO -0.06 -1.13 1.75 -0.26 0.00 0.00 0.00 175.10 175.40 3i4f h PHE 129 N 9.33 0.23 -3.36 5.22 0.04 -1.99 -3.44 116.94 122.97 3i4f h PHE 129 Ca -0.26 -0.05 -0.53 0.00 2.80 0.00 0.00 57.97 59.93 3i4f h PHE 129 Cb 1.07 -0.05 0.07 0.00 2.20 0.00 0.00 35.95 39.24 3i4f h PHE 129 CO 0.92 0.55 0.82 -1.21 -0.60 0.00 0.00 178.31 178.78 3i4f s GLU 130 N -4.22 4.20 -0.37 1.51 8.01 -1.26 -4.97 118.70 121.61 3i4f s GLU 130 Ca -0.04 2.43 -0.21 0.00 0.01 0.00 0.00 54.97 57.16 3i4f s GLU 130 Cb 0.14 -3.07 0.01 0.00 -4.31 0.00 0.00 34.13 26.89 3i4f s GLU 130 CO 0.76 -0.51 0.65 1.03 0.01 0.00 0.00 175.26 177.19 3i4f s ARG 131 N -0.44 3.63 -0.12 1.61 3.00 -1.26 -4.94 118.95 120.44 3i4f s ARG 131 Ca 0.61 0.01 -0.16 0.00 0.00 0.00 0.00 55.73 56.19 3i4f s ARG 131 Cb -0.44 -3.83 0.04 0.00 0.00 0.00 0.00 34.95 30.72 3i4f s ARG 131 CO 0.45 -0.78 0.42 -1.59 0.00 0.00 0.00 175.30 173.81 3i4f s LYS 132 N 2.75 0.60 0.63 3.54 -2.85 -1.24 -5.04 119.74 118.13 3i4f s LYS 132 Ca 0.25 0.37 -0.18 0.00 -1.00 0.00 0.00 55.97 55.41 3i4f s LYS 132 Cb -0.14 0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 35.89 3i4f s LYS 132 CO 0.15 -0.11 1.22 0.15 0.10 0.00 0.00 175.35 176.86 3i4f s LYS 133 N -0.29 2.76 0.28 1.78 1.02 -1.26 -4.35 119.74 119.68 3i4f s LYS 133 Ca -0.04 1.86 0.02 0.00 0.02 0.00 0.00 55.97 57.83 3i4f s LYS 133 Cb -0.03 -1.90 0.62 0.00 -0.52 0.00 0.00 37.83 36.00 3i4f s LYS 133 CO 0.02 -1.38 1.79 1.25 -0.92 0.00 0.00 175.35 176.11 3i4f h LEU 134 N 0.63 0.73 -0.06 3.17 6.46 -1.98 -0.10 115.31 124.16 3i4f h LEU 134 Ca -0.50 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3i4f h LEU 134 Cb 1.30 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 3i4f h LEU 134 CO 0.54 0.31 0.00 0.55 -0.62 0.00 0.00 178.44 179.22 3i4f n VAL 135 N -4.77 1.67 0.77 1.05 3.14 -1.26 -1.16 118.33 117.77 3i4f n VAL 135 Ca 0.20 0.43 0.08 0.00 -2.96 0.00 0.00 64.34 62.10 3i4f n VAL 135 Cb 0.47 -1.36 -0.02 0.00 -1.06 0.00 0.00 33.84 31.87 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 -1.54 1.54 -4.72 6.55 8.00 -0.05 -4.98 116.55 121.35 3i4f n ASP 136 Ca 0.01 -1.27 -0.42 0.00 0.71 0.00 0.00 54.79 53.82 3i4f n ASP 136 Cb 0.05 0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 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 -2.11 3.19 0.52 1.24 1.51 -0.31 -5.00 117.35 116.38 3i4f s TYR 137 Ca 0.13 0.87 -0.20 0.00 -1.01 0.00 0.00 57.07 56.86 3i4f s TYR 137 Cb 0.14 -3.75 -0.07 0.00 -0.11 0.00 0.00 41.96 38.16 3i4f s TYR 137 CO 0.48 -2.68 1.09 -1.83 -1.11 0.00 0.00 175.55 171.50 3i4f s GLU 138 N 1.06 3.56 0.34 -0.62 1.03 -1.26 -4.91 118.70 117.90 3i4f s GLU 138 Ca 0.66 1.49 0.04 0.00 0.03 0.00 0.00 54.97 57.19 3i4f s GLU 138 Cb -0.39 -2.05 0.67 0.00 -0.80 0.00 0.00 34.13 31.57 3i4f s GLU 138 CO 0.31 -0.66 1.95 1.49 -1.33 0.00 0.00 175.26 177.02 3i4f h GLU 139 N 1.36 0.82 -0.74 -4.83 4.81 -2.00 -1.18 114.58 112.82 3i4f h GLU 139 Ca -0.50 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 3i4f h GLU 139 Cb 1.24 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 3i4f h GLU 139 CO 0.58 0.54 0.32 -0.44 -0.73 0.00 0.00 179.01 179.28 3i4f h ASP 140 N 0.84 1.00 0.29 1.04 5.19 -1.99 -1.57 116.42 121.22 3i4f h ASP 140 Ca 0.32 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 3i4f h ASP 140 Cb 0.20 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3i4f h ASP 140 CO -0.11 0.88 -0.14 -0.33 -3.12 0.00 0.00 179.24 176.43 3i4f h GLU 141 N 1.05 -0.37 -0.51 3.56 5.08 -1.62 -1.12 114.58 120.66 3i4f h GLU 141 Ca 0.25 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 3i4f h GLU 141 Cb 0.17 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 3i4f h GLU 141 CO -0.03 -0.19 0.09 2.35 -1.00 0.00 0.00 179.01 180.24 3i4f h TRP 142 N -0.47 0.14 -0.29 4.33 2.91 -1.31 -2.29 115.95 118.96 3i4f h TRP 142 Ca -0.04 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.93 3i4f h TRP 142 Cb 0.35 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 3i4f h TRP 142 CO -0.03 -0.03 -0.17 -0.91 -1.03 0.00 0.00 178.44 176.27 3i4f h ASN 143 N 0.22 0.51 -0.48 2.65 2.35 -1.18 -2.21 115.58 117.44 3i4f h ASN 143 Ca 0.26 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3i4f h ASN 143 Cb 0.36 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3i4f h ASN 143 CO -0.35 0.70 0.17 -0.08 -1.65 0.00 0.00 177.43 176.22 3i4f h GLU 144 N 0.48 0.73 -0.08 0.81 4.81 -0.67 -0.09 114.58 120.56 3i4f h GLU 144 Ca 0.08 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3i4f h GLU 144 Cb 0.57 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3i4f h GLU 144 CO 0.04 0.68 0.05 0.52 -0.73 0.00 0.00 179.01 179.57 3i4f h MET 145 N 0.64 0.11 0.16 1.92 2.86 -1.28 0.21 114.93 119.55 3i4f h MET 145 Ca 0.16 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3i4f h MET 145 Cb 0.24 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3i4f h MET 145 CO -0.01 0.08 -0.08 0.82 1.06 0.00 0.00 176.91 178.79 3i4f h ILE 146 N 0.10 0.97 -0.83 -1.22 1.08 -1.34 -2.17 117.51 114.10 3i4f h ILE 146 Ca 0.03 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 3i4f h ILE 146 Cb -0.00 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 3i4f h ILE 146 CO -0.01 0.16 0.39 -0.61 -0.69 0.00 0.00 178.15 177.39 3i4f h GLN 147 N -0.57 1.21 0.00 2.37 -0.00 -1.01 -0.46 115.11 116.66 3i4f h GLN 147 Ca -0.02 -0.19 -0.20 0.00 -0.00 0.00 0.00 58.65 58.24 3i4f h GLN 147 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 27.48 27.67 3i4f h GLN 147 CO 0.04 0.94 -0.96 0.78 0.00 0.00 0.00 178.83 179.63 3i4f h GLY 148 N 1.19 0.00 0.00 2.39 0.00 -0.60 0.41 103.07 106.46 3i4f h GLY 148 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3i4f h GLY 148 CO -0.03 0.00 -1.72 0.70 0.00 0.00 0.00 176.54 175.48 3i4f n ASN 149 N -3.38 1.45 0.02 0.19 3.02 -0.82 -4.54 115.26 111.19 3i4f n ASN 149 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3i4f n ASN 149 Cb 0.91 1.67 0.00 0.00 -0.61 0.00 0.00 39.78 41.75 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 -2.06 0.42 -0.23 3.41 7.94 -0.24 -4.69 117.00 121.54 3i4f n LEU 150 Ca -0.04 0.06 0.10 0.00 -1.11 0.00 0.00 56.01 55.02 3i4f n LEU 150 Cb 0.43 -0.12 0.37 0.00 0.53 0.00 0.00 43.42 44.63 3i4f n LEU 150 CO 0.33 -0.60 1.22 0.74 -1.11 0.00 0.00 177.39 177.97 3i4f h THR 151 N 0.00 0.92 -0.56 1.96 2.02 -1.48 -2.10 112.91 113.66 3i4f h THR 151 Ca 0.00 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 3i4f h THR 151 Cb 0.00 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 3i4f h THR 151 CO 0.00 0.13 0.11 0.00 0.37 0.00 0.00 175.52 176.13 3i4f h ALA 152 N 1.60 1.14 -0.20 6.16 0.00 -1.14 -1.17 119.26 125.64 3i4f h ALA 152 Ca 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3i4f h ALA 152 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i4f h ALA 152 CO -0.15 0.57 0.10 0.28 0.00 0.00 0.00 179.25 180.05 3i4f h VAL 153 N 0.84 1.13 -0.75 0.00 2.07 -1.67 -1.06 116.25 116.82 3i4f h VAL 153 Ca 0.18 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.44 3i4f h VAL 153 Cb 0.34 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 3i4f h VAL 153 CO 0.00 0.12 0.39 0.15 0.02 0.00 0.00 177.57 178.26 3i4f h PHE 154 N 0.21 0.71 -0.75 1.57 3.57 -1.07 0.12 116.94 121.30 3i4f h PHE 154 Ca 0.07 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3i4f h PHE 154 Cb 0.10 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3i4f h PHE 154 CO -0.03 0.27 0.27 0.45 -2.23 0.00 0.00 178.31 177.04 3i4f h HIS 155 N 0.67 1.17 -0.29 0.41 3.86 -0.88 -0.49 115.15 119.59 3i4f h HIS 155 Ca 0.36 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.37 3i4f h HIS 155 Cb 0.36 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3i4f h HIS 155 CO -0.09 0.90 -0.23 -0.07 0.86 0.00 0.00 177.93 179.30 3i4f h LEU 156 N 1.10 0.70 -0.08 2.43 3.38 -0.52 -3.02 115.31 119.29 3i4f h LEU 156 Ca 0.25 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3i4f h LEU 156 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3i4f h LEU 156 CO -0.01 1.00 -0.02 -0.07 0.09 0.00 0.00 178.44 179.42 3i4f h LEU 157 N 0.40 -0.09 -1.30 1.67 3.38 -0.65 0.21 115.31 118.94 3i4f h LEU 157 Ca 0.05 0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.34 3i4f h LEU 157 Cb 0.78 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 3i4f h LEU 157 CO 0.06 -0.03 0.68 0.50 0.09 0.00 0.00 178.44 179.74 3i4f h LYS 158 N -0.01 0.35 0.12 1.13 1.63 -1.11 0.97 116.57 119.66 3i4f h LYS 158 Ca 0.04 -0.02 -0.29 0.00 -0.85 0.00 0.00 60.65 59.53 3i4f h LYS 158 Cb 0.07 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3i4f h LYS 158 CO -0.09 0.23 -1.48 -0.07 -3.45 0.00 0.00 179.45 174.60 3i4f h LEU 159 N 0.36 0.39 0.05 5.20 3.38 -1.24 -3.41 115.31 120.03 3i4f h LEU 159 Ca 0.65 -0.86 -0.29 0.00 0.09 0.00 0.00 57.88 57.47 3i4f h LEU 159 Cb 1.66 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 3i4f h LEU 159 CO -0.36 1.65 -1.54 0.58 0.09 0.00 0.00 178.44 178.85 3i4f h VAL 160 N -0.26 1.09 -0.75 1.22 2.07 -0.12 -3.37 116.25 116.13 3i4f h VAL 160 Ca -0.32 -2.84 -0.01 0.00 0.82 0.00 0.00 66.70 64.36 3i4f h VAL 160 Cb 1.80 2.62 -0.04 0.00 -1.52 0.00 0.00 31.29 34.15 3i4f h VAL 160 CO 0.06 0.72 0.42 0.58 0.02 0.00 0.00 177.57 179.38 3i4f h VAL 161 N 0.03 1.22 -0.99 2.57 2.07 -1.02 -1.86 116.25 118.28 3i4f h VAL 161 Ca -0.23 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 66.84 3i4f h VAL 161 Cb 1.97 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 3i4f h VAL 161 CO 0.12 0.24 0.63 -0.65 0.02 0.00 0.00 177.57 177.93 3i4f h PRO 162 N 1.03 1.03 -0.42 1.57 0.11 -1.77 -0.81 132.00 132.75 3i4f h PRO 162 Ca 0.27 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 3i4f h PRO 162 Cb 0.02 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 3i4f h PRO 162 CO -0.04 0.68 -0.20 0.28 -0.21 0.00 0.00 178.00 178.50 3i4f h VAL 163 N 1.06 1.27 -0.57 3.15 2.07 -1.58 -2.67 116.25 118.98 3i4f h VAL 163 Ca 0.46 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 3i4f h VAL 163 Cb 0.34 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3i4f h VAL 163 CO -0.21 0.45 -0.05 0.24 0.02 0.00 0.00 177.57 178.01 3i4f h MET 164 N 0.72 1.03 -0.21 1.57 2.86 -0.55 -1.87 114.93 118.48 3i4f h MET 164 Ca 0.10 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 57.43 3i4f h MET 164 Cb 0.72 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3i4f h MET 164 CO 0.06 1.04 -0.01 0.00 1.06 0.00 0.00 176.91 179.05 3i4f h ARG 165 N 0.93 0.05 -0.60 1.72 3.08 -1.04 0.22 114.38 118.75 3i4f h ARG 165 Ca 0.16 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.30 3i4f h ARG 165 Cb 0.61 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 3i4f h ARG 165 CO 0.04 0.04 0.21 0.87 -1.07 0.00 0.00 179.97 180.05 3i4f h LYS 166 N 0.06 0.37 0.00 0.04 1.57 -1.29 -1.26 116.57 116.06 3i4f h LYS 166 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3i4f h LYS 166 Cb 0.13 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3i4f h LYS 166 CO -0.18 0.24 0.00 1.96 -0.57 0.00 0.00 179.45 180.90 3i4f h GLN 167 N 0.38 0.00 -6.32 3.15 4.20 -0.69 -3.47 115.11 112.36 3i4f h GLN 167 Ca 0.30 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.54 3i4f h GLN 167 Cb 0.39 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3i4f h GLN 167 CO -0.32 0.00 -0.80 0.09 -0.67 0.00 0.00 178.83 177.14 3i4f n ASN 168 N -2.96 -3.33 -3.58 1.46 3.02 0.01 -4.98 115.26 104.90 3i4f n ASN 168 Ca 0.00 -0.84 -0.02 0.00 -0.03 0.00 0.00 54.58 53.70 3i4f n ASN 168 Cb 0.26 -3.72 -0.06 0.00 -0.61 0.00 0.00 39.78 35.65 3i4f n ASN 168 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i4f s PHE 169 N -3.45 -0.69 -0.14 3.10 5.36 -0.97 -4.60 117.98 116.59 3i4f s PHE 169 Ca 0.45 1.30 -0.25 0.00 -0.96 0.00 0.00 56.93 57.47 3i4f s PHE 169 Cb -0.23 0.41 0.06 0.00 -0.34 0.00 0.00 43.02 42.92 3i4f s PHE 169 CO 0.84 -0.34 0.61 0.20 -1.46 0.00 0.00 175.22 175.08 3i4f s GLY 170 N 1.75 -0.48 -0.18 13.12 0.00 -0.61 -4.63 107.32 116.30 3i4f s GLY 170 Ca -0.07 1.43 -0.01 0.00 0.00 0.00 0.00 44.72 46.07 3i4f s GLY 170 CO -0.16 1.15 -0.01 0.50 0.00 0.00 0.00 173.10 174.58 3i4f s ARG 171 N -0.45 1.05 -0.20 2.90 1.81 -0.77 -1.45 118.95 121.83 3i4f s ARG 171 Ca -0.06 -0.49 -0.06 0.00 -1.72 0.00 0.00 55.73 53.41 3i4f s ARG 171 Cb -0.03 -2.04 -0.03 0.00 -0.45 0.00 0.00 34.95 32.41 3i4f s ARG 171 CO 0.05 -0.53 0.02 0.42 -0.68 0.00 0.00 175.30 174.58 3i4f s ILE 172 N 1.73 4.17 -0.15 1.52 1.01 -0.12 -0.27 121.20 129.08 3i4f s ILE 172 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3i4f s ILE 172 Cb -0.16 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.43 3i4f s ILE 172 CO -0.07 0.42 -0.21 -0.63 0.00 0.00 0.00 174.94 174.45 3i4f s ILE 173 N 0.94 2.12 0.32 2.92 -1.09 0.99 -1.37 121.20 126.03 3i4f s ILE 173 Ca 0.02 -0.95 0.09 0.00 -2.23 0.00 0.00 60.65 57.58 3i4f s ILE 173 Cb -0.14 -1.86 -0.05 0.00 -1.58 0.00 0.00 42.46 38.83 3i4f s ILE 173 CO 0.02 0.54 0.06 0.20 -1.23 0.00 0.00 174.94 174.53 3i4f s ASN 174 N 0.92 4.47 -0.06 3.58 0.01 -0.45 -0.91 114.94 122.50 3i4f s ASN 174 Ca -0.04 -0.81 0.04 0.00 -0.71 0.00 0.00 52.86 51.34 3i4f s ASN 174 Cb -0.15 -0.70 -0.02 0.00 0.41 0.00 0.00 41.25 40.79 3i4f s ASN 174 CO -0.04 -0.19 -0.17 -0.31 -1.51 0.00 0.00 177.10 174.88 3i4f s TYR 175 N -2.43 2.64 0.00 2.20 1.51 -1.26 -1.41 117.35 118.60 3i4f s TYR 175 Ca 0.35 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 3i4f s TYR 175 Cb -0.03 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 3i4f s TYR 175 CO 0.21 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 175.07 3i4f n GLY 176 N 2.69 5.23 3.40 0.71 0.00 -0.79 -4.94 105.19 111.49 3i4f n GLY 176 Ca -0.17 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 3.77 -0.30 0.08 1.61 -0.71 -1.26 -4.30 117.98 116.87 3i4f s PHE 177 Ca 0.00 0.01 -0.32 0.00 -1.04 0.00 0.00 56.93 55.58 3i4f s PHE 177 Cb 0.00 0.40 -0.12 0.00 -1.21 0.00 0.00 43.02 42.09 3i4f s PHE 177 CO 0.00 -0.81 1.80 0.94 -1.34 0.00 0.00 175.22 175.81 3i4f n GLN 178 N -0.31 2.53 -0.40 1.99 7.27 -1.25 -1.21 117.38 126.00 3i4f n GLN 178 Ca -0.15 0.92 0.00 0.00 0.07 0.00 0.00 57.00 57.84 3i4f n GLN 178 Cb 0.64 -2.78 0.00 0.00 2.41 0.00 0.00 30.24 30.51 3i4f n GLN 178 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i4f n GLY 179 N 4.10 1.20 0.46 1.69 0.00 -1.26 -4.81 105.19 106.57 3i4f n GLY 179 Ca 0.19 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.48 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 2.67 0.00 4.61 0.00 -1.58 -1.86 119.26 123.11 3i4f h ALA 180 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 0.22 0.00 0.00 0.00 179.25 178.48 3i4f h ASP 181 N 0.15 0.00 -0.60 0.00 3.58 -1.92 -1.19 116.42 116.44 3i4f h ASP 181 Ca 0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.95 3i4f h ASP 181 Cb 1.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.76 3i4f h ASP 181 CO -0.10 0.00 0.00 -1.54 -2.88 0.00 0.00 179.24 174.72 3i4f n SER 182 N -3.01 4.40 -3.82 2.28 3.41 -0.70 -4.97 113.62 111.21 3i4f n SER 182 Ca -0.01 -2.40 -0.32 0.00 -0.26 0.00 0.00 58.87 55.88 3i4f n SER 182 Cb 0.18 -0.55 0.02 0.00 -0.26 0.00 0.00 64.21 63.60 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 1.05 -2.40 -1.85 7.33 0.00 -0.45 -4.96 120.51 119.23 3i4f n ALA 183 Ca 0.24 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 3i4f n ALA 183 Cb 0.82 -3.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.13 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 -6.36 3.71 0.74 0.00 0.04 -1.26 -5.07 135.00 126.79 3i4f s PRO 184 Ca 0.34 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 3i4f s PRO 184 Cb -0.13 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.34 3i4f s PRO 184 CO 0.89 -0.48 1.08 0.20 0.04 0.00 0.00 177.00 178.73 3i4f s GLY 185 N -3.73 1.67 -0.30 0.56 0.00 -1.26 -4.88 107.32 99.38 3i4f s GLY 185 Ca 0.57 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.44 3i4f s GLY 185 CO 0.45 0.48 0.32 0.86 0.00 0.00 0.00 173.10 175.21 3i4f s TRP 186 N -2.99 -0.51 0.19 1.90 -0.11 -1.26 -5.04 118.94 111.11 3i4f s TRP 186 Ca 0.60 -0.19 -0.33 0.00 1.22 0.00 0.00 56.10 57.39 3i4f s TRP 186 Cb -0.15 -0.42 -0.14 0.00 -1.50 0.00 0.00 33.47 31.26 3i4f s TRP 186 CO 0.55 -0.94 1.46 1.51 -4.62 0.00 0.00 176.95 174.92 3i4f n ILE 187 N 5.18 0.45 -0.87 5.86 3.06 -1.26 -0.98 119.36 130.80 3i4f n ILE 187 Ca -0.00 -0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 3i4f n ILE 187 Cb 0.47 -1.40 0.00 0.00 0.54 0.00 0.00 39.64 39.24 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 2.59 0.00 -1.92 9.51 4.01 -1.26 -4.81 117.16 125.28 3i4f n TYR 188 Ca 0.15 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.93 3i4f n TYR 188 Cb 0.29 -0.64 0.07 0.00 -0.31 0.00 0.00 39.34 38.74 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 -1.82 0.54 -0.14 -0.72 3.00 -0.15 -3.58 116.66 113.77 3i4f n ARG 189 Ca 0.00 -2.06 -0.09 0.00 -0.01 0.00 0.00 57.85 55.69 3i4f n ARG 189 Cb 0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 32.46 31.75 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 0.52 -1.35 -0.50 0.55 4.64 -1.82 0.16 113.55 115.75 3i4f h SER 190 Ca -0.07 0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 3i4f h SER 190 Cb 1.41 0.61 -0.02 0.00 -0.31 0.00 0.00 62.40 64.09 3i4f h SER 190 CO 0.03 -0.35 0.29 0.00 -0.87 0.00 0.00 176.83 175.93 3i4f h ALA 191 N 0.56 0.64 -0.35 5.18 0.00 -1.92 -0.01 119.26 123.36 3i4f h ALA 191 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3i4f h ALA 191 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i4f h ALA 191 CO -0.59 0.15 0.06 0.35 0.00 0.00 0.00 179.25 179.22 3i4f h PHE 192 N 0.67 0.62 0.04 0.00 3.57 -1.79 -1.91 116.94 118.13 3i4f h PHE 192 Ca 0.18 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3i4f h PHE 192 Cb 0.02 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3i4f h PHE 192 CO -0.02 0.63 -0.02 0.00 -2.23 0.00 0.00 178.31 176.67 3i4f h ALA 193 N 0.91 -0.05 -0.40 2.41 0.00 -0.52 -1.54 119.26 120.07 3i4f h ALA 193 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3i4f h ALA 193 Cb 0.34 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3i4f h ALA 193 CO 0.01 -0.50 0.11 0.00 0.00 0.00 0.00 179.25 178.86 3i4f h ALA 194 N 0.86 0.46 -0.66 0.00 0.00 -0.99 0.45 119.26 119.37 3i4f h ALA 194 Ca -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3i4f h ALA 194 Cb 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i4f h ALA 194 CO 0.01 -0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.05 3i4f h ALA 195 N 1.29 0.88 0.00 0.00 0.00 -1.20 -1.16 119.26 119.07 3i4f h ALA 195 Ca 0.19 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3i4f h ALA 195 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i4f h ALA 195 CO -0.23 0.67 -0.43 0.87 0.00 0.00 0.00 179.25 180.14 3i4f h LYS 196 N 1.03 0.00 0.09 0.00 1.79 -0.93 -2.22 116.57 116.33 3i4f h LYS 196 Ca 0.20 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.38 3i4f h LYS 196 Cb 0.48 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.15 3i4f h LYS 196 CO 0.02 0.43 -1.19 0.28 -1.08 0.00 0.00 179.45 177.90 3i4f h VAL 197 N 0.00 1.29 -0.59 0.50 2.07 -0.71 -1.57 116.25 117.25 3i4f h VAL 197 Ca -0.00 -2.43 0.05 0.00 0.82 0.00 0.00 66.70 65.13 3i4f h VAL 197 Cb 1.15 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 33.51 3i4f h VAL 197 CO 0.06 0.74 0.39 1.23 0.02 0.00 0.00 177.57 180.01 3i4f h GLY 198 N 0.40 0.76 1.94 2.17 0.00 -1.24 -2.08 103.07 105.02 3i4f h GLY 198 Ca -0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3i4f h GLY 198 CO 0.23 0.21 -0.46 -2.00 0.00 0.00 0.00 176.54 174.52 3i4f h LEU 199 N 0.64 0.07 -0.53 3.11 5.85 -1.15 -1.53 115.31 121.76 3i4f h LEU 199 Ca 0.25 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.97 3i4f h LEU 199 Cb 0.18 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3i4f h LEU 199 CO -0.07 0.53 0.29 0.58 -0.34 0.00 0.00 178.44 179.43 3i4f h VAL 200 N 0.06 1.00 -0.21 1.05 2.07 -0.56 -0.23 116.25 119.42 3i4f h VAL 200 Ca 0.00 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 3i4f h VAL 200 Cb 0.84 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3i4f h VAL 200 CO 0.06 0.10 -0.44 -1.28 0.02 0.00 0.00 177.57 176.04 3i4f h SER 201 N 0.57 0.75 -0.55 0.57 0.87 -1.37 -2.68 113.55 111.70 3i4f h SER 201 Ca 0.23 -0.55 0.04 0.00 -1.23 0.00 0.00 61.79 60.27 3i4f h SER 201 Cb 0.09 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 3i4f h SER 201 CO -0.13 1.16 0.31 0.25 -0.53 0.00 0.00 176.83 177.89 3i4f h LEU 202 N 0.37 0.48 -0.51 2.23 5.85 -1.16 -0.08 115.31 122.48 3i4f h LEU 202 Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3i4f h LEU 202 Cb 1.05 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 3i4f h LEU 202 CO 0.10 0.33 0.32 0.74 -0.34 0.00 0.00 178.44 179.58 3i4f h THR 203 N 0.60 1.07 -0.42 1.05 2.02 -0.95 -0.04 112.91 116.25 3i4f h THR 203 Ca 0.23 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 3i4f h THR 203 Cb 0.09 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3i4f h THR 203 CO -0.13 0.12 -0.14 0.11 0.37 0.00 0.00 175.52 175.85 3i4f h LYS 204 N 0.63 0.83 0.11 6.66 1.57 -1.21 -1.43 116.57 123.74 3i4f h LYS 204 Ca 0.20 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3i4f h LYS 204 Cb -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3i4f h LYS 204 CO -0.08 0.96 -0.05 1.15 -0.57 0.00 0.00 179.45 180.86 3i4f h THR 205 N 0.65 0.90 -0.81 -0.16 2.02 -0.64 -1.34 112.91 113.52 3i4f h THR 205 Ca 0.10 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.32 3i4f h THR 205 Cb 0.68 0.93 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 3i4f h THR 205 CO 0.05 0.01 0.48 0.58 0.37 0.00 0.00 175.52 177.01 3i4f h VAL 206 N -0.17 0.97 -0.71 3.16 2.07 -1.02 -0.70 116.25 119.84 3i4f h VAL 206 Ca -0.02 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.33 3i4f h VAL 206 Cb 0.13 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 29.87 3i4f h VAL 206 CO 0.03 0.15 0.32 0.00 0.02 0.00 0.00 177.57 178.08 3i4f h ALA 207 N 1.42 0.99 -0.20 1.67 0.00 -0.83 -1.16 119.26 121.15 3i4f h ALA 207 Ca 0.37 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.19 3i4f h ALA 207 Cb 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i4f h ALA 207 CO -0.21 -0.13 -0.60 1.88 0.00 0.00 0.00 179.25 180.19 3i4f h TYR 208 N 0.51 0.84 0.00 0.00 0.05 -0.10 -2.90 116.97 115.37 3i4f h TYR 208 Ca 0.37 -0.32 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 3i4f h TYR 208 Cb 0.47 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3i4f h TYR 208 CO -0.14 1.09 -0.40 0.93 -1.05 0.00 0.00 178.16 178.60 3i4f h GLU 209 N 0.49 0.00 -0.10 4.88 5.08 -0.92 -3.32 114.58 120.70 3i4f h GLU 209 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i4f h GLU 209 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3i4f h GLU 209 CO 0.12 0.40 0.00 0.39 -1.00 0.00 0.00 179.01 178.91 3i4f n GLU 210 N -3.37 2.27 -0.05 2.33 -0.58 -0.46 -4.64 120.64 116.14 3i4f n GLU 210 Ca 0.01 -1.50 0.01 0.00 -0.42 0.00 0.00 57.16 55.26 3i4f n GLU 210 Cb 0.59 -1.09 0.33 0.00 -0.57 0.00 0.00 31.44 30.69 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 0.72 1.50 -0.00 0.62 0.00 -1.61 -2.13 119.26 118.36 3i4f h ALA 211 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i4f h ALA 211 Cb 0.50 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i4f h ALA 211 CO 0.00 0.39 0.00 0.93 0.00 0.00 0.00 179.25 180.58 3i4f h GLU 212 N 0.64 0.00 -0.22 0.00 5.08 -1.85 -2.69 114.58 115.54 3i4f h GLU 212 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3i4f h GLU 212 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3i4f h GLU 212 CO -0.02 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.65 3i4f n TYR 213 N -3.74 0.27 -2.21 4.33 4.01 -0.81 -4.92 117.16 114.09 3i4f n TYR 213 Ca -0.03 -0.14 -0.03 0.00 -0.16 0.00 0.00 57.90 57.54 3i4f n TYR 213 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 1.32 0.36 3.20 2.72 0.00 -1.02 -3.13 105.19 108.64 3i4f n GLY 214 Ca 0.17 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.38 2.39 0.11 -0.61 1.01 -1.15 -1.57 121.20 119.01 3i4f s ILE 215 Ca 0.02 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.85 3i4f s ILE 215 Cb -0.01 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3i4f s ILE 215 CO 0.03 0.52 0.14 0.42 0.00 0.00 0.00 174.94 176.05 3i4f s THR 216 N 1.01 4.73 -0.06 2.92 -4.23 -0.53 -3.89 115.64 115.59 3i4f s THR 216 Ca -0.02 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.68 3i4f s THR 216 Cb -0.15 -3.35 0.03 0.00 1.34 0.00 0.00 72.50 70.37 3i4f s THR 216 CO -0.04 0.03 0.00 0.00 -0.54 0.00 0.00 174.62 174.07 3i4f s ALA 217 N -1.56 0.57 0.15 3.99 0.00 -1.26 -0.95 121.76 122.70 3i4f s ALA 217 Ca 0.31 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3i4f s ALA 217 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3i4f s ALA 217 CO 0.24 -0.34 0.02 -0.80 0.00 0.00 0.00 175.76 174.87 3i4f s ASN 218 N 1.71 0.90 -0.06 0.00 0.01 -0.47 -0.47 114.94 116.55 3i4f s ASN 218 Ca 0.00 -1.17 0.05 0.00 -0.71 0.00 0.00 52.86 51.04 3i4f s ASN 218 Cb -0.13 0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.70 3i4f s ASN 218 CO -0.04 -0.62 -0.22 -0.32 -1.51 0.00 0.00 177.10 174.39 3i4f s MET 219 N -3.95 2.39 -0.15 -0.60 -2.45 -0.40 -1.35 119.30 112.78 3i4f s MET 219 Ca 0.23 -0.81 -0.04 0.00 -1.25 0.00 0.00 55.69 53.82 3i4f s MET 219 Cb 0.07 -1.99 -0.03 0.00 1.25 0.00 0.00 34.83 34.12 3i4f s MET 219 CO 0.02 0.31 -0.02 0.08 1.05 0.00 0.00 175.02 176.46 3i4f s VAL 220 N -0.01 4.04 -0.45 10.11 1.01 -0.50 -0.25 120.40 134.34 3i4f s VAL 220 Ca -0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 3i4f s VAL 220 Cb -0.14 -2.77 0.12 0.00 0.00 0.00 0.00 36.38 33.59 3i4f s VAL 220 CO 0.04 0.50 0.30 0.00 0.00 0.00 0.00 175.10 175.94 3i4f s PRO 222 N 1.30 3.16 0.50 0.00 0.02 -1.26 -1.87 135.00 136.85 3i4f s PRO 222 Ca 0.06 1.42 -0.07 0.00 0.02 0.00 0.00 61.00 62.43 3i4f s PRO 222 Cb -0.25 -2.00 0.11 0.00 0.02 0.00 0.00 34.50 32.38 3i4f s PRO 222 CO -0.02 -0.96 0.68 0.41 -0.33 0.00 0.00 177.00 176.78 3i4f n GLY 223 N -0.39 -0.87 2.64 0.52 0.00 -1.17 -3.94 105.19 101.98 3i4f n GLY 223 Ca 0.10 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 3i4f n GLY 223 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i4f n ASP 224 N -3.35 5.17 -4.63 1.61 -0.08 -1.26 -4.89 116.55 109.12 3i4f n ASP 224 Ca 0.09 -2.73 -0.43 0.00 -1.51 0.00 0.00 54.79 50.21 3i4f n ASP 224 Cb 0.31 -1.57 -0.02 0.00 2.34 0.00 0.00 41.12 42.18 3i4f n ASP 224 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3i4f s ILE 225 N 3.06 3.95 -0.33 5.18 1.01 -1.26 -4.98 121.20 127.82 3i4f s ILE 225 Ca 0.54 1.06 -0.09 0.00 0.00 0.00 0.00 60.65 62.16 3i4f s ILE 225 Cb 0.15 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.64 3i4f s ILE 225 CO -0.06 -0.45 0.14 -0.63 0.00 0.00 0.00 174.94 173.94 3i4f s ILE 226 N 4.84 4.23 0.00 2.92 1.01 -1.26 -4.69 121.20 128.25 3i4f s ILE 226 Ca 0.62 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3i4f s ILE 226 Cb -0.19 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3i4f s ILE 226 CO 0.26 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3i4f n GLY 227 N 4.92 1.44 0.23 6.18 0.00 -1.26 -3.98 105.19 112.71 3i4f n GLY 227 Ca -0.13 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.85 114.58 115.45 3i4f h GLU 228 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 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 0.19 -0.16 0.52 0.07 0.00 0.00 179.01 179.63 3i4f h MET 229 N 0.00 0.00 -0.33 1.06 2.07 -1.90 -2.13 114.93 113.71 3i4f h MET 229 Ca -0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3i4f h MET 229 Cb 0.76 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.47 3i4f h MET 229 CO 0.02 0.16 0.20 0.87 1.07 0.00 0.00 176.91 179.23 3i4f h LYS 230 N 0.00 0.43 -0.28 1.72 1.57 -1.78 -2.62 116.57 115.62 3i4f h LYS 230 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3i4f h LYS 230 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3i4f h LYS 230 CO 0.02 0.30 0.00 -0.85 -0.57 0.00 0.00 179.45 178.36 3i4f n GLU 231 N -4.47 2.39 -2.01 3.15 0.28 -1.07 -2.85 120.64 116.06 3i4f n GLU 231 Ca 0.02 -1.87 -0.31 0.00 -0.16 0.00 0.00 57.16 54.83 3i4f n GLU 231 Cb 0.08 -1.26 -0.00 0.00 1.43 0.00 0.00 31.44 31.69 3i4f n GLU 231 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i4f s ALA 232 N -0.99 3.07 0.62 -1.84 0.00 -0.82 -4.83 121.76 116.97 3i4f s ALA 232 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 3i4f s ALA 232 Cb 0.12 -3.10 0.07 0.00 0.00 0.00 0.00 23.12 20.20 3i4f s ALA 232 CO 0.16 -0.59 0.87 0.95 0.00 0.00 0.00 175.76 177.15 3i4f s THR 233 N -3.00 2.45 0.15 0.00 -4.23 -1.26 -3.38 115.64 106.37 3i4f s THR 233 Ca 0.56 -0.59 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 3i4f s THR 233 Cb -0.11 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 70.90 3i4f s THR 233 CO 0.47 0.00 1.65 0.40 -0.54 0.00 0.00 174.62 176.60 3i4f h ILE 234 N -0.21 1.24 -0.56 2.99 2.04 -1.96 -2.24 117.51 118.82 3i4f h ILE 234 Ca -0.41 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 64.63 3i4f h ILE 234 Cb 1.29 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 3i4f h ILE 234 CO 0.50 0.31 0.29 1.56 0.00 0.00 0.00 178.15 180.81 3i4f h GLN 235 N 0.70 0.54 -0.16 2.37 4.20 -1.99 -0.05 115.11 120.72 3i4f h GLN 235 Ca 0.16 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3i4f h GLN 235 Cb 0.35 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3i4f h GLN 235 CO 0.00 0.36 0.06 0.93 -0.67 0.00 0.00 178.83 179.51 3i4f h GLU 236 N 0.55 0.22 -0.03 1.46 5.08 -1.91 -1.47 114.58 118.48 3i4f h GLU 236 Ca 0.25 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.41 3i4f h GLU 236 Cb 0.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3i4f h GLU 236 CO -0.17 0.20 -0.75 0.00 -1.00 0.00 0.00 179.01 177.29 3i4f h ALA 237 N 1.84 0.67 0.00 3.43 0.00 -0.58 -3.12 119.26 121.51 3i4f h ALA 237 Ca 0.06 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 3i4f h ALA 237 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i4f h ALA 237 CO -0.01 0.83 -0.62 0.00 0.00 0.00 0.00 179.25 179.45 3i4f h ARG 238 N 0.14 0.00 -0.36 0.00 3.08 -0.35 -2.97 114.38 113.92 3i4f h ARG 238 Ca -0.03 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3i4f h ARG 238 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3i4f h ARG 238 CO 0.11 0.62 -0.04 1.96 -1.07 0.00 0.00 179.97 181.56 3i4f h GLN 239 N 0.00 0.65 0.00 0.04 1.08 -1.34 -3.51 115.11 112.03 3i4f h GLN 239 Ca -0.01 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 3i4f h GLN 239 Cb 1.14 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 3i4f h GLN 239 CO 0.08 0.79 0.00 1.28 -0.95 0.00 0.00 178.83 180.03 3i4f n LEU 240 N -4.46 0.17 -3.76 1.46 4.32 -1.12 -5.13 117.00 108.49 3i4f n LEU 240 Ca -0.02 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 55.90 3i4f n LEU 240 Cb 0.30 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.04 3i4f n LEU 240 CO 0.41 0.00 0.01 0.00 -1.22 0.00 0.00 177.39 176.59 3i4f s ARG 249 N -0.05 0.91 0.50 3.23 1.70 -1.26 -5.08 118.95 118.91 3i4f s ARG 249 Ca 0.00 -0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 54.27 3i4f s ARG 249 Cb 0.00 0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 34.69 3i4f s ARG 249 CO 0.00 -0.32 1.02 0.45 -1.08 0.00 0.00 175.30 175.38 3i4f s SER 250 N -2.71 6.36 0.74 -2.89 0.15 -1.26 -5.05 113.70 109.04 3i4f s SER 250 Ca 0.03 1.85 -0.12 0.00 0.70 0.00 0.00 55.95 58.41 3i4f s SER 250 Cb 0.03 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.83 3i4f s SER 250 CO -0.10 -0.77 1.10 -0.83 1.20 0.00 0.00 173.24 173.84 3i4f s GLY 251 N -2.20 1.82 0.25 9.45 0.00 -1.26 -4.91 107.32 110.47 3i4f s GLY 251 Ca 0.65 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.70 3i4f s GLY 251 CO 0.22 0.71 0.28 -0.51 0.00 0.00 0.00 173.10 173.80 3i4f s THR 252 N -2.73 0.00 0.32 0.90 -4.23 -1.26 -4.75 115.64 103.88 3i4f s THR 252 Ca 0.63 -1.81 -0.00 0.00 -1.18 0.00 0.00 61.69 59.33 3i4f s THR 252 Cb -0.18 -2.45 0.26 0.00 1.34 0.00 0.00 72.50 71.47 3i4f s THR 252 CO 0.52 0.00 1.98 1.23 -0.54 0.00 0.00 174.62 177.80 3i4f h GLY 253 N 2.40 1.09 0.97 3.99 0.00 -1.33 -3.00 103.07 107.19 3i4f h GLY 253 Ca -0.31 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.63 3i4f h GLY 253 CO 0.45 0.38 0.46 -2.09 0.00 0.00 0.00 176.54 175.73 3i4f h GLU 254 N 1.03 0.89 -1.00 4.80 4.81 -1.84 0.26 114.58 123.53 3i4f h GLU 254 Ca 0.29 -0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.61 3i4f h GLU 254 Cb -0.09 -0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.00 3i4f h GLU 254 CO -0.07 0.59 0.63 -0.44 -0.73 0.00 0.00 179.01 178.99 3i4f h ASP 255 N 0.92 0.88 -0.17 1.04 3.32 -1.87 0.27 116.42 120.80 3i4f h ASP 255 Ca 0.26 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 3i4f h ASP 255 Cb -0.08 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3i4f h ASP 255 CO -0.07 0.42 -0.37 0.40 -1.72 0.00 0.00 179.24 177.90 3i4f h ILE 256 N 0.92 1.34 -0.44 0.35 1.08 -1.36 -3.12 117.51 116.28 3i4f h ILE 256 Ca 0.52 -1.62 -0.07 0.00 -0.39 0.00 0.00 64.86 63.30 3i4f h ILE 256 Cb 0.62 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 36.30 3i4f h ILE 256 CO -0.30 0.50 0.01 0.00 -0.69 0.00 0.00 178.15 177.67 3i4f h ALA 257 N 0.57 0.60 0.00 1.87 0.00 0.72 -1.33 119.26 121.69 3i4f h ALA 257 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3i4f h ALA 257 Cb 0.98 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3i4f h ALA 257 CO 0.08 0.38 -0.46 0.07 0.00 0.00 0.00 179.25 179.33 3i4f h ARG 258 N 0.62 0.00 -0.19 0.00 0.11 -0.63 -0.79 114.38 113.51 3i4f h ARG 258 Ca 0.13 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.19 3i4f h ARG 258 Cb 0.48 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 3i4f h ARG 258 CO 0.02 0.46 0.06 1.15 0.10 0.00 0.00 179.97 181.75 3i4f h THR 259 N 0.00 1.19 -0.48 0.08 2.02 -1.41 -1.77 112.91 112.54 3i4f h THR 259 Ca -0.00 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.62 3i4f h THR 259 Cb 0.84 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 3i4f h THR 259 CO 0.06 0.19 0.26 0.40 0.37 0.00 0.00 175.52 176.79 3i4f h ILE 260 N 0.13 0.99 0.00 3.11 2.04 -0.80 -2.21 117.51 120.76 3i4f h ILE 260 Ca 0.06 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 3i4f h ILE 260 Cb 0.23 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3i4f h ILE 260 CO -0.00 0.09 -0.44 0.77 0.00 0.00 0.00 178.15 178.57 3i4f h SER 261 N 0.51 0.00 -0.63 1.72 4.64 -1.14 -0.53 113.55 118.12 3i4f h SER 261 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3i4f h SER 261 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 3i4f h SER 261 CO -0.13 0.44 0.40 0.15 -0.87 0.00 0.00 176.83 176.82 3i4f h PHE 262 N 0.00 0.81 0.00 4.77 3.57 -1.07 -3.05 116.94 121.97 3i4f h PHE 262 Ca -0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 3i4f h PHE 262 Cb 1.01 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3i4f h PHE 262 CO 0.00 0.54 -0.46 -0.07 -2.23 0.00 0.00 178.31 176.09 3i4f h LEU 263 N 0.85 0.00 0.00 0.59 3.38 -0.70 -2.95 115.31 116.48 3i4f h LEU 263 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i4f h LEU 263 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i4f h LEU 263 CO -0.05 0.46 -0.13 0.00 0.09 0.00 0.00 178.44 178.81 3i4f n GLU 265 N -1.54 1.44 -0.27 0.00 1.02 -1.12 -4.93 120.64 115.24 3i4f n GLU 265 Ca 0.07 0.54 -0.01 0.00 -0.02 0.00 0.00 57.16 57.73 3i4f n GLU 265 Cb 0.34 -2.52 0.11 0.00 -0.02 0.00 0.00 31.44 29.35 3i4f n GLU 265 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3i4f h ASP 266 N 1.06 0.71 0.00 1.62 5.19 -1.90 -2.46 116.42 120.65 3i4f h ASP 266 Ca -0.51 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3i4f h ASP 266 Cb 1.32 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.70 3i4f h ASP 266 CO 0.55 0.47 0.00 0.47 -3.12 0.00 0.00 179.24 177.61 3i4f n ASP 267 N -4.68 0.00 -0.84 6.45 9.92 -1.26 -3.09 116.55 123.05 3i4f n ASP 267 Ca 0.09 -1.51 0.06 0.00 -0.53 0.00 0.00 54.79 52.90 3i4f n ASP 267 Cb 0.14 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 40.80 3i4f n ASP 267 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3i4f n SER 268 N -0.73 2.40 0.22 -2.24 7.64 -0.93 -4.53 113.62 115.46 3i4f n SER 268 Ca 0.11 -2.12 0.15 0.00 1.01 0.00 0.00 58.87 58.02 3i4f n SER 268 Cb 0.05 -0.34 0.75 0.00 -1.01 0.00 0.00 64.21 63.66 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 2.21 0.00 0.47 6.43 2.03 -1.74 -1.55 116.42 124.27 3i4f h ASP 269 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3i4f h ASP 269 Cb 0.70 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 3i4f h ASP 269 CO 0.06 0.00 -0.38 0.23 -1.03 0.00 0.00 179.24 178.13 3i4f n MET 270 N -2.56 0.25 -3.04 4.15 2.81 -1.26 -4.74 117.12 112.73 3i4f n MET 270 Ca -0.01 -0.13 -0.43 0.00 -1.81 0.00 0.00 57.70 55.31 3i4f n MET 270 Cb 0.11 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.84 4.71 -0.08 2.02 1.01 -0.59 -5.01 121.20 120.43 3i4f s ILE 271 Ca 0.16 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 3i4f s ILE 271 Cb 0.18 -4.35 0.05 0.00 0.01 0.00 0.00 42.46 38.35 3i4f s ILE 271 CO 0.63 -0.85 0.50 0.28 0.00 0.00 0.00 174.94 175.49 3i4f s THR 272 N 3.09 0.02 -0.95 2.92 -1.32 -1.26 -4.70 115.64 113.44 3i4f s THR 272 Ca 0.22 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3i4f s THR 272 Cb -0.16 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 3i4f s THR 272 CO 0.16 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 3i4f n GLY 273 N 1.56 0.91 3.66 6.08 0.00 0.38 -4.96 105.19 112.81 3i4f n GLY 273 Ca -0.18 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.36 4.02 -0.39 2.61 -4.23 -1.26 -4.84 115.64 109.18 3i4f s THR 274 Ca 0.00 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.82 3i4f s THR 274 Cb 0.00 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 71.14 3i4f s THR 274 CO 0.00 0.40 0.20 -0.63 -0.54 0.00 0.00 174.62 174.06 3i4f s ILE 275 N -1.04 3.93 -0.28 2.99 1.09 -1.26 -1.28 121.20 125.35 3i4f s ILE 275 Ca 0.18 -1.43 -0.13 0.00 -1.10 0.00 0.00 60.65 58.17 3i4f s ILE 275 Cb -0.11 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 37.85 3i4f s ILE 275 CO 0.09 -0.44 0.30 -0.63 -0.10 0.00 0.00 174.94 174.15 3i4f s ILE 276 N 1.37 5.23 -0.16 2.92 1.01 0.66 -4.96 121.20 127.27 3i4f s ILE 276 Ca 0.02 0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.79 3i4f s ILE 276 Cb -0.22 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3i4f s ILE 276 CO 0.01 0.16 0.60 -1.61 0.00 0.00 0.00 174.94 174.10 3i4f s GLU 277 N 1.93 4.28 -0.65 2.79 2.02 -1.26 -0.78 118.70 127.03 3i4f s GLU 277 Ca 0.11 0.62 0.06 0.00 0.02 0.00 0.00 54.97 55.78 3i4f s GLU 277 Cb -0.16 -3.52 0.23 0.00 0.10 0.00 0.00 34.13 30.78 3i4f s GLU 277 CO 0.11 -0.09 0.69 0.28 0.02 0.00 0.00 175.26 176.27 3i4f n VAL 278 N 4.29 2.18 -0.03 2.63 0.31 -0.78 -4.83 118.33 122.10 3i4f n VAL 278 Ca -0.03 -5.14 -0.04 0.00 -0.01 0.00 0.00 64.34 59.12 3i4f n VAL 278 Cb 0.50 -2.12 -0.04 0.00 -0.91 0.00 0.00 33.84 31.28 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 1.09 0.42 -1.45 2.52 -2.24 -1.26 -3.06 114.28 110.29 3i4f n THR 279 Ca 0.28 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3i4f n THR 279 Cb 0.40 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 2.90 0.55 3.15 3.38 0.00 -1.26 -4.50 105.19 109.40 3i4f n GLY 280 Ca -0.12 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.48 -2.48 -3.37 4.61 0.00 -1.26 -5.02 120.51 112.51 3i4f n ALA 281 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 3i4f n ALA 281 Cb 0.29 -3.87 -0.09 0.00 0.00 0.00 0.00 19.45 15.79 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 -3.21 -0.49 0.22 0.00 0.11 -1.26 -5.13 120.40 110.63 3i4f s VAL 282 Ca 0.25 -0.36 -0.32 0.00 -2.93 0.00 0.00 61.98 58.62 3i4f s VAL 282 Cb -0.03 -0.95 -0.12 0.00 -1.53 0.00 0.00 36.38 33.74 3i4f s VAL 282 CO 0.74 -0.36 1.64 -0.67 -3.33 0.00 0.00 175.10 173.12 3i4f n ASP 283 N 5.33 3.67 -0.06 3.54 2.03 -1.26 -4.90 116.55 124.90 3i4f n ASP 283 Ca -0.02 1.09 -0.08 0.00 0.52 0.00 0.00 54.79 56.30 3i4f n ASP 283 Cb 0.48 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.29 3i4f n ASP 283 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3i4f n VAL 284 N 3.33 0.64 0.08 5.18 0.31 -1.26 -4.81 118.33 121.81 3i4f n VAL 284 Ca 0.14 -0.23 0.09 0.00 -0.01 0.00 0.00 64.34 64.33 3i4f n VAL 284 Cb 0.34 -1.01 0.26 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.93 0.88 -0.53 2.52 -5.35 -1.26 -5.12 119.36 107.57 3i4f n ILE 285 Ca -0.20 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 3i4f n ILE 285 Cb 0.70 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 3i4f n ILE 285 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20