#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5j s PHE 3 N 0.00 3.02 0.42 7.33 0.08 -1.26 -5.11 117.98 122.46 3i5j s PHE 3 Ca 0.00 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.72 3i5j s PHE 3 Cb 0.00 -2.01 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 3i5j s PHE 3 CO 0.00 -0.13 0.58 -1.83 -0.10 0.00 0.00 175.22 173.74 3i5j s GLU 4 N 0.63 2.90 0.12 0.44 -1.05 -1.26 -5.08 118.70 115.40 3i5j s GLU 4 Ca -0.02 -1.04 -0.22 0.00 -0.15 0.00 0.00 54.97 53.55 3i5j s GLU 4 Cb -0.14 -2.72 -0.07 0.00 -0.44 0.00 0.00 34.13 30.75 3i5j s GLU 4 CO 0.02 -0.23 0.66 0.45 0.95 0.00 0.00 175.26 177.11 3i5j s SER 5 N -4.30 7.19 0.01 0.83 0.15 -1.26 -5.07 113.70 111.25 3i5j s SER 5 Ca 0.52 1.42 -0.01 0.00 0.70 0.00 0.00 55.95 58.58 3i5j s SER 5 Cb -0.10 -2.42 -0.01 0.00 -1.71 0.00 0.00 66.02 61.78 3i5j s SER 5 CO 0.34 0.23 0.01 -0.54 1.20 0.00 0.00 173.24 174.48 3i5j s LYS 6 N -1.20 0.22 0.61 5.44 1.02 -1.26 -5.16 119.74 119.42 3i5j s LYS 6 Ca 0.33 -0.34 -0.13 0.00 0.02 0.00 0.00 55.97 55.85 3i5j s LYS 6 Cb -0.21 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 3i5j s LYS 6 CO 0.22 -0.04 1.04 -1.59 -0.92 0.00 0.00 175.35 174.06 3i5j s LYS 7 N -0.88 3.40 0.61 1.68 -2.85 -1.26 -5.01 119.74 115.44 3i5j s LYS 7 Ca -0.10 0.97 -0.18 0.00 -1.00 0.00 0.00 55.97 55.66 3i5j s LYS 7 Cb -0.06 -2.05 -0.06 0.00 -2.06 0.00 0.00 37.83 33.60 3i5j s LYS 7 CO -0.00 -0.73 0.73 -2.30 0.10 0.00 0.00 175.35 173.15 3i5j n PRO 8 N -2.44 0.63 -3.99 1.78 -0.02 -1.26 -5.02 135.00 124.68 3i5j n PRO 8 Ca 0.07 0.25 -0.26 0.00 -2.02 0.00 0.00 63.50 61.54 3i5j n PRO 8 Cb 0.54 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 3i5j n PRO 8 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3i5j s MET 9 N -2.52 3.26 0.00 -0.52 -1.94 -1.26 -5.01 119.30 111.31 3i5j s MET 9 Ca 0.72 -0.69 0.28 0.00 -1.71 0.00 0.00 55.69 54.29 3i5j s MET 9 Cb -0.41 -2.86 1.29 0.00 2.01 0.00 0.00 34.83 34.85 3i5j s MET 9 CO 0.51 0.51 1.93 2.89 -0.01 0.00 0.00 175.02 180.84 3i5j n ARG 10 N -0.51 0.16 -2.08 2.03 1.85 -1.26 -4.89 116.66 111.96 3i5j n ARG 10 Ca -0.07 0.02 -0.04 0.00 -1.00 0.00 0.00 57.85 56.76 3i5j n ARG 10 Cb 0.54 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 3i5j n ARG 10 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 3i5j n THR 11 N -1.41 0.00 -1.68 8.89 5.66 -1.26 -5.05 114.28 119.42 3i5j n THR 11 Ca 0.09 -0.43 -0.38 0.00 -3.05 0.00 0.00 64.05 60.28 3i5j n THR 11 Cb 0.28 0.34 0.05 0.00 -1.55 0.00 0.00 70.33 69.45 3i5j n THR 11 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3i5j n TRP 12 N -0.18 1.61 -0.22 1.09 5.03 -1.26 -4.75 117.44 118.75 3i5j n TRP 12 Ca -0.02 0.44 0.17 0.00 3.03 0.00 0.00 57.50 61.12 3i5j n TRP 12 Cb 0.20 -2.26 0.49 0.00 -1.03 0.00 0.00 31.31 28.71 3i5j n TRP 12 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 3i5j h SER 13 N 0.96 0.44 1.37 -0.99 4.64 -1.99 -0.54 113.55 117.45 3i5j h SER 13 Ca -0.49 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3i5j h SER 13 Cb 1.33 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3i5j h SER 13 CO 0.54 0.20 0.00 1.12 -0.87 0.00 0.00 176.83 177.82 3i5j h HIS 14 N 0.45 0.00 -0.00 4.77 2.07 -2.01 -3.00 115.15 117.43 3i5j h HIS 14 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 3i5j h HIS 14 Cb 1.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.99 3i5j h HIS 14 CO -0.00 0.00 -0.76 1.28 -3.07 0.00 0.00 177.93 175.38 3i5j n LEU 15 N -2.79 1.17 0.16 6.12 4.77 -0.56 -4.59 117.00 121.29 3i5j n LEU 15 Ca 0.03 -0.57 0.12 0.00 -0.03 0.00 0.00 56.01 55.56 3i5j n LEU 15 Cb 0.39 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.06 3i5j n LEU 15 CO 0.29 0.26 0.86 0.00 -1.33 0.00 0.00 177.39 177.47 3i5j h ALA 16 N 2.90 1.00 -0.06 -1.18 0.00 -0.99 -0.27 119.26 120.66 3i5j h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i5j h ALA 16 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i5j h ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3i5j n GLU 17 N -2.32 2.04 -1.68 0.00 -0.58 -1.26 -4.95 120.64 111.89 3i5j n GLU 17 Ca 0.00 -1.51 -0.40 0.00 -0.42 0.00 0.00 57.16 54.83 3i5j n GLU 17 Cb 0.13 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.55 3i5j n GLU 17 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3i5j n MET 18 N 0.82 1.57 0.05 3.49 1.56 -0.11 -4.95 117.12 119.55 3i5j n MET 18 Ca 0.17 0.57 -0.20 0.00 -0.27 0.00 0.00 57.70 57.97 3i5j n MET 18 Cb 0.48 -2.31 -0.14 0.00 2.15 0.00 0.00 33.22 33.41 3i5j n MET 18 CO 0.00 0.00 0.00 0.07 -0.73 0.00 0.00 175.97 175.31 3i5j h ARG 19 N 1.55 0.37 -7.09 2.12 -0.00 -1.92 -3.46 114.38 105.94 3i5j h ARG 19 Ca -0.48 -0.54 -0.49 0.00 -0.00 0.00 0.00 59.98 58.47 3i5j h ARG 19 Cb 1.32 0.19 0.02 0.00 -0.00 0.00 0.00 29.97 31.50 3i5j h ARG 19 CO 0.57 1.23 0.28 0.15 -0.00 0.00 0.00 179.97 182.20 3i5j s LYS 20 N -2.70 3.81 0.13 0.08 1.02 -1.26 -4.99 119.74 115.82 3i5j s LYS 20 Ca -0.13 0.71 -0.31 0.00 0.02 0.00 0.00 55.97 56.26 3i5j s LYS 20 Cb 0.02 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 35.00 3i5j s LYS 20 CO 0.84 -0.24 1.81 0.21 -0.92 0.00 0.00 175.35 177.05 3i5j s LYS 21 N -4.24 4.14 0.41 1.68 2.20 -1.26 -4.91 119.74 117.75 3i5j s LYS 21 Ca 0.55 2.59 -0.26 0.00 -0.36 0.00 0.00 55.97 58.49 3i5j s LYS 21 Cb -0.10 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.57 3i5j s LYS 21 CO 0.36 -0.83 1.36 -2.30 -0.36 0.00 0.00 175.35 173.58 3i5j n PRO 22 N 5.51 2.20 -2.21 4.03 -0.02 -1.26 -5.01 135.00 138.23 3i5j n PRO 22 Ca 0.17 0.78 -0.27 0.00 -2.02 0.00 0.00 63.50 62.16 3i5j n PRO 22 Cb 0.38 -2.49 0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3i5j n PRO 22 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i5j s SER 23 N -0.39 5.14 0.22 2.55 1.04 -1.26 -4.87 113.70 116.12 3i5j s SER 23 Ca 0.58 0.64 -0.12 0.00 0.48 0.00 0.00 55.95 57.53 3i5j s SER 23 Cb -0.50 -1.42 0.28 0.00 0.10 0.00 0.00 66.02 64.48 3i5j s SER 23 CO 0.60 -1.40 1.63 -0.08 0.98 0.00 0.00 173.24 174.96 3i5j h GLU 24 N -0.49 0.02 -0.36 4.02 4.81 -1.99 -1.39 114.58 119.21 3i5j h GLU 24 Ca -0.45 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.85 3i5j h GLU 24 Cb 1.29 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 3i5j h GLU 24 CO 0.61 0.01 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.92 3i5j h TYR 25 N 0.02 -0.14 -0.22 0.92 3.20 -1.94 -1.96 116.97 116.85 3i5j h TYR 25 Ca 0.33 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 3i5j h TYR 25 Cb 0.51 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3i5j h TYR 25 CO -0.50 -0.13 0.13 -0.44 -1.64 0.00 0.00 178.16 175.58 3i5j h ASP 26 N 0.03 0.26 -0.83 -2.11 3.32 -1.74 -1.30 116.42 114.05 3i5j h ASP 26 Ca 0.18 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3i5j h ASP 26 Cb 0.26 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3i5j h ASP 26 CO -0.35 0.23 0.51 0.40 -1.72 0.00 0.00 179.24 178.32 3i5j h ILE 27 N 0.27 1.23 -0.02 0.35 2.04 -1.02 -3.04 117.51 117.32 3i5j h ILE 27 Ca 0.08 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3i5j h ILE 27 Cb 0.02 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3i5j h ILE 27 CO -0.02 0.24 -0.12 1.33 0.00 0.00 0.00 178.15 179.58 3i5j n VAL 28 N -4.45 0.00 -0.00 1.67 0.24 -0.76 -4.61 118.33 110.42 3i5j n VAL 28 Ca 0.09 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3i5j n VAL 28 Cb 0.05 1.37 -0.01 0.00 -1.47 0.00 0.00 33.84 33.78 3i5j n VAL 28 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3i5j n SER 29 N 0.80 4.75 -4.80 -1.34 7.64 -0.51 -5.06 113.62 115.10 3i5j n SER 29 Ca 0.11 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.61 3i5j n SER 29 Cb 0.48 0.78 -0.06 0.00 -1.01 0.00 0.00 64.21 64.41 3i5j n SER 29 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3i5j s ARG 30 N -2.05 4.11 -1.12 1.43 0.52 -1.15 -3.85 118.95 116.83 3i5j s ARG 30 Ca -0.00 0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 55.60 3i5j s ARG 30 Cb 0.00 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 3i5j s ARG 30 CO 0.04 0.52 0.85 1.17 0.02 0.00 0.00 175.30 177.91 3i5j n LYS 31 N 2.35 -2.51 0.00 3.54 4.81 -1.26 -4.95 118.16 120.14 3i5j n LYS 31 Ca -0.11 0.69 0.06 0.00 -0.87 0.00 0.00 58.31 58.08 3i5j n LYS 31 Cb 0.52 -5.17 -0.07 0.00 0.02 0.00 0.00 35.03 30.34 3i5j n LYS 31 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3i5j n LEU 32 N -3.75 0.72 -4.55 3.14 4.77 -1.26 -4.84 117.00 111.23 3i5j n LEU 32 Ca -0.12 -0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 54.91 3i5j n LEU 32 Cb 0.62 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 3i5j n LEU 32 CO 0.63 0.17 1.12 -1.00 -1.33 0.00 0.00 177.39 176.98 3i5j s HIS 33 N -2.17 2.38 -0.46 -1.77 3.76 -1.26 -4.79 115.29 110.98 3i5j s HIS 33 Ca 0.06 -0.00 0.26 0.00 -0.15 0.00 0.00 55.06 55.22 3i5j s HIS 33 Cb 0.10 -4.57 0.90 0.00 1.11 0.00 0.00 32.58 30.12 3i5j s HIS 33 CO 0.51 -1.95 1.77 0.10 -0.85 0.00 0.00 174.74 174.32 3i5j h TYR 34 N 9.90 0.00 0.00 1.40 -0.00 -1.95 -3.21 116.97 123.11 3i5j h TYR 34 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 3i5j h TYR 34 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.78 3i5j h TYR 34 CO 1.10 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 178.13 3i5j n SER 35 N -2.52 0.00 -0.54 0.10 3.41 -1.26 -1.44 113.62 111.37 3i5j n SER 35 Ca 0.03 0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 3i5j n SER 35 Cb 0.35 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3i5j n SER 35 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i5j n THR 36 N -1.25 0.00 -0.12 6.66 -2.24 -1.21 -4.33 114.28 111.79 3i5j n THR 36 Ca 0.04 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 3i5j n THR 36 Cb 0.06 1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 3i5j n THR 36 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3i5j h ASN 37 N 2.63 0.97 -3.47 3.42 2.35 -1.48 -3.40 115.58 116.61 3i5j h ASN 37 Ca 0.00 -0.46 -0.70 0.00 -0.55 0.00 0.00 56.30 54.59 3i5j h ASN 37 Cb 0.78 -0.27 -0.32 0.00 0.05 0.00 0.00 38.32 38.55 3i5j h ASN 37 CO 0.00 1.23 -0.52 0.21 -1.65 0.00 0.00 177.43 176.70 3i5j s ASN 38 N -6.78 5.37 0.50 5.81 3.84 -1.26 -4.97 114.94 117.45 3i5j s ASN 38 Ca -0.11 -1.87 0.17 0.00 0.21 0.00 0.00 52.86 51.26 3i5j s ASN 38 Cb 0.11 -1.88 1.24 0.00 -0.55 0.00 0.00 41.25 40.17 3i5j s ASN 38 CO 0.87 -0.55 2.08 -0.65 -2.79 0.00 0.00 177.10 176.06 3i5j h PRO 39 N 8.17 0.10 0.00 0.43 0.11 -1.91 -2.03 132.00 136.88 3i5j h PRO 39 Ca -0.17 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 3i5j h PRO 39 Cb 1.06 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3i5j h PRO 39 CO 0.73 0.07 -0.40 0.22 -0.21 0.00 0.00 178.00 178.40 3i5j h ASP 40 N 0.10 0.00 -2.11 -2.05 3.58 -1.97 -3.41 116.42 110.55 3i5j h ASP 40 Ca 0.12 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.03 3i5j h ASP 40 Cb 0.33 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 41.03 3i5j h ASP 40 CO -0.01 0.40 -0.95 -1.20 -2.88 0.00 0.00 179.24 174.60 3i5j n SER 41 N -3.27 -0.71 -0.25 2.28 7.64 -0.78 -4.76 113.62 113.78 3i5j n SER 41 Ca 0.02 -2.50 0.01 0.00 1.01 0.00 0.00 58.87 57.40 3i5j n SER 41 Cb 0.64 -0.30 0.08 0.00 -1.01 0.00 0.00 64.21 63.63 3i5j n SER 41 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3i5j h PRO 42 N 5.24 -0.00 -6.11 1.43 0.11 -1.70 -3.41 132.00 127.55 3i5j h PRO 42 Ca 0.20 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.68 3i5j h PRO 42 Cb 0.93 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.96 3i5j h PRO 42 CO 0.35 -0.00 -0.58 -1.58 -0.21 0.00 0.00 178.00 175.98 3i5j s TRP 43 N -6.24 3.27 -1.34 0.65 0.52 -1.26 -4.21 118.94 110.33 3i5j s TRP 43 Ca -0.14 0.12 -0.16 0.00 0.02 0.00 0.00 56.10 55.94 3i5j s TRP 43 Cb 0.21 -1.66 0.02 0.00 -1.15 0.00 0.00 33.47 30.89 3i5j s TRP 43 CO 0.75 0.54 2.09 -1.91 0.02 0.00 0.00 176.95 178.44 3i5j n GLU 44 N 0.45 2.72 -2.35 4.98 4.07 -1.26 -4.75 120.64 124.50 3i5j n GLU 44 Ca -0.08 -2.64 -0.05 0.00 -0.06 0.00 0.00 57.16 54.33 3i5j n GLU 44 Cb 0.51 -3.30 -0.00 0.00 -0.06 0.00 0.00 31.44 28.59 3i5j n GLU 44 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3i5j n LEU 45 N 6.96 0.00 -4.64 4.31 4.77 -1.26 -5.11 117.00 122.03 3i5j n LEU 45 Ca 0.51 -1.06 -0.46 0.00 -0.03 0.00 0.00 56.01 54.97 3i5j n LEU 45 Cb 0.41 1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 42.61 3i5j n LEU 45 CO 0.88 -0.28 0.93 -0.24 -1.33 0.00 0.00 177.39 177.36 3i5j n SER 46 N -1.69 2.34 0.11 -1.43 2.88 -1.26 -4.82 113.62 109.74 3i5j n SER 46 Ca -0.01 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.85 3i5j n SER 46 Cb 0.23 -1.36 0.73 0.00 -0.75 0.00 0.00 64.21 63.06 3i5j n SER 46 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i5j h PRO 47 N 3.99 0.00 -0.65 -1.46 0.11 -1.88 -1.16 132.00 130.94 3i5j h PRO 47 Ca -0.44 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.44 3i5j h PRO 47 Cb 1.30 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.27 3i5j h PRO 47 CO 0.74 0.00 0.24 -0.25 -0.21 0.00 0.00 178.00 178.52 3i5j n ASP 48 N -4.14 4.16 -4.69 -2.05 8.00 -1.26 -4.49 116.55 112.07 3i5j n ASP 48 Ca 0.05 -3.35 -0.33 0.00 0.71 0.00 0.00 54.79 51.87 3i5j n ASP 48 Cb 0.45 -0.72 0.13 0.00 -0.02 0.00 0.00 41.12 40.96 3i5j n ASP 48 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i5j s SER 49 N -1.45 3.52 0.19 -2.24 1.04 -0.44 -4.74 113.70 109.57 3i5j s SER 49 Ca 0.52 2.38 -0.13 0.00 0.48 0.00 0.00 55.95 59.19 3i5j s SER 49 Cb 0.43 -2.59 0.20 0.00 0.10 0.00 0.00 66.02 64.16 3i5j s SER 49 CO 0.10 -2.71 1.69 -0.65 0.98 0.00 0.00 173.24 172.65 3i5j h PRO 50 N -0.95 0.15 -0.01 4.02 0.11 -1.94 -1.17 132.00 132.21 3i5j h PRO 50 Ca -0.46 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3i5j h PRO 50 Cb 1.30 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3i5j h PRO 50 CO 0.46 0.10 -0.51 1.98 -0.21 0.00 0.00 178.00 179.82 3i5j h MET 51 N 0.15 0.02 -0.65 1.05 4.05 -1.96 -1.46 114.93 116.13 3i5j h MET 51 Ca 0.26 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 3i5j h MET 51 Cb 0.38 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 3i5j h MET 51 CO -0.39 0.53 0.35 -0.91 0.23 0.00 0.00 176.91 176.72 3i5j h ASN 52 N 0.02 0.82 -0.49 1.39 2.35 -1.71 -0.86 115.58 117.11 3i5j h ASN 52 Ca -0.00 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3i5j h ASN 52 Cb 0.90 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 3i5j h ASN 52 CO 0.07 0.68 0.23 -0.07 -1.65 0.00 0.00 177.43 176.69 3i5j h LEU 53 N 0.90 0.64 -0.12 1.61 3.38 -0.79 0.29 115.31 121.23 3i5j h LEU 53 Ca 0.23 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3i5j h LEU 53 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3i5j h LEU 53 CO -0.04 0.60 0.03 -0.25 0.09 0.00 0.00 178.44 178.87 3i5j h TRP 54 N 0.64 0.06 -0.24 1.13 2.91 -1.09 -0.23 115.95 119.13 3i5j h TRP 54 Ca 0.17 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 60.07 3i5j h TRP 54 Cb 0.13 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 3i5j h TRP 54 CO -0.01 0.03 -0.37 1.88 -1.03 0.00 0.00 178.44 178.94 3i5j h TYR 55 N 0.09 0.65 -0.03 2.65 -1.99 -1.00 0.12 116.97 117.46 3i5j h TYR 55 Ca 0.05 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.53 3i5j h TYR 55 Cb 0.03 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 3i5j h TYR 55 CO -0.11 0.85 -0.32 0.87 -0.00 0.00 0.00 178.16 179.45 3i5j h LYS 56 N 0.46 0.06 0.06 4.88 1.57 -0.55 -0.35 116.57 122.70 3i5j h LYS 56 Ca 0.05 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3i5j h LYS 56 Cb 0.86 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3i5j h LYS 56 CO 0.07 0.38 -0.58 0.37 -0.57 0.00 0.00 179.45 179.12 3i5j h GLN 57 N 0.05 0.13 0.00 3.15 4.15 -0.67 -2.34 115.11 119.58 3i5j h GLN 57 Ca 0.01 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3i5j h GLN 57 Cb 0.59 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3i5j h GLN 57 CO 0.04 1.11 -1.47 0.66 -1.93 0.00 0.00 178.83 177.25 3i5j n TYR 58 N -4.34 0.00 -0.01 3.99 4.01 0.40 -3.92 117.16 117.29 3i5j n TYR 58 Ca -0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.56 3i5j n TYR 58 Cb 0.67 -0.24 -0.01 0.00 -0.31 0.00 0.00 39.34 39.45 3i5j n TYR 58 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3i5j n ARG 59 N -1.86 0.12 -0.26 -0.72 0.63 -0.25 -0.69 116.66 113.64 3i5j n ARG 59 Ca -0.00 0.05 -0.02 0.00 -0.92 0.00 0.00 57.85 56.96 3i5j n ARG 59 Cb 0.43 -0.59 0.16 0.00 0.45 0.00 0.00 32.46 32.91 3i5j n ARG 59 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3i5j h ASN 60 N -0.23 0.98 -0.29 6.15 4.21 -1.34 -2.02 115.58 123.04 3i5j h ASN 60 Ca 0.00 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.43 3i5j h ASN 60 Cb 0.23 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3i5j h ASN 60 CO 0.00 0.79 0.00 0.00 -1.29 0.00 0.00 177.43 176.93 3i5j n ALA 61 N -2.42 2.46 -1.77 -0.83 0.00 -0.88 -4.95 120.51 112.12 3i5j n ALA 61 Ca 0.08 -0.52 -0.40 0.00 0.00 0.00 0.00 53.44 52.60 3i5j n ALA 61 Cb 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.58 3i5j n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i5j s SER 62 N -0.99 6.02 0.53 0.00 0.15 -0.76 -4.87 113.70 113.78 3i5j s SER 62 Ca 0.20 2.93 0.34 0.00 0.70 0.00 0.00 55.95 60.12 3i5j s SER 62 Cb 0.10 -2.66 1.56 0.00 -1.71 0.00 0.00 66.02 63.32 3i5j s SER 62 CO 0.13 -1.08 2.02 -0.65 1.20 0.00 0.00 173.24 174.87 3i5j h PRO 63 N 2.52 0.00 -6.14 5.44 0.11 -1.92 -3.40 132.00 128.60 3i5j h PRO 63 Ca -0.51 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.01 3i5j h PRO 63 Cb 1.26 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 3i5j h PRO 63 CO 0.62 0.00 0.61 -1.17 -0.21 0.00 0.00 178.00 177.85 3i5j s LEU 64 N -5.86 3.98 -0.03 2.35 2.96 -1.26 -4.93 118.68 115.88 3i5j s LEU 64 Ca -0.00 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.34 3i5j s LEU 64 Cb 0.10 -3.25 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 3i5j s LEU 64 CO 0.47 -0.96 -0.18 -0.54 -1.32 0.00 0.00 176.35 173.83 3i5j s LYS 65 N 3.64 1.69 -0.06 1.98 1.02 -1.26 -4.96 119.74 121.78 3i5j s LYS 65 Ca 0.38 -0.62 -0.13 0.00 0.02 0.00 0.00 55.97 55.62 3i5j s LYS 65 Cb -0.11 -1.51 0.03 0.00 -0.52 0.00 0.00 37.83 35.71 3i5j s LYS 65 CO 0.22 0.29 0.31 -1.58 -0.92 0.00 0.00 175.35 173.68 3i5j s HIS 66 N -0.11 -0.24 -1.01 3.18 2.46 -1.26 -4.79 115.29 113.51 3i5j s HIS 66 Ca -0.00 0.50 0.28 0.00 0.47 0.00 0.00 55.06 56.31 3i5j s HIS 66 Cb -0.10 0.10 1.03 0.00 -0.13 0.00 0.00 32.58 33.48 3i5j s HIS 66 CO 0.01 -0.30 1.78 -0.40 -2.47 0.00 0.00 174.74 173.37 3i5j n ASP 67 N 1.96 0.15 -3.04 9.88 5.68 -1.26 -4.44 116.55 125.48 3i5j n ASP 67 Ca -0.18 0.27 -0.18 0.00 -0.50 0.00 0.00 54.79 54.20 3i5j n ASP 67 Cb 0.57 -0.28 -0.02 0.00 -1.14 0.00 0.00 41.12 40.25 3i5j n ASP 67 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i5j n ASN 68 N -1.49 -0.73 -0.00 -1.12 5.15 -1.26 -4.95 115.26 110.85 3i5j n ASN 68 Ca 0.07 -3.00 0.15 0.00 -0.60 0.00 0.00 54.58 51.20 3i5j n ASN 68 Cb 0.34 0.23 0.59 0.00 -0.53 0.00 0.00 39.78 40.41 3i5j n ASN 68 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 3i5j h TRP 69 N 3.74 0.21 0.00 1.20 4.06 -1.89 -2.79 115.95 120.47 3i5j h TRP 69 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3i5j h TRP 69 Cb 0.95 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 3i5j h TRP 69 CO 0.29 0.10 0.00 -0.44 -3.56 0.00 0.00 178.44 174.83 3i5j h ASP 70 N 0.19 0.00 0.51 -3.49 3.32 -1.93 -0.92 116.42 114.11 3i5j h ASP 70 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3i5j h ASP 70 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3i5j h ASP 70 CO -0.04 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.48 3i5j n ALA 71 N -1.99 2.35 -1.68 3.45 0.00 -1.05 -4.73 120.51 116.87 3i5j n ALA 71 Ca 0.01 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 3i5j n ALA 71 Cb 0.25 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 3i5j n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i5j n PHE 72 N -1.29 2.04 -4.05 0.00 7.35 -0.35 -5.00 117.46 116.16 3i5j n PHE 72 Ca 0.13 0.56 -0.27 0.00 -0.76 0.00 0.00 57.45 57.11 3i5j n PHE 72 Cb 0.22 -2.37 -0.17 0.00 0.35 0.00 0.00 39.48 37.51 3i5j n PHE 72 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3i5j s THR 73 N -1.12 1.09 -0.16 -2.13 2.01 -1.26 -4.80 115.64 109.27 3i5j s THR 73 Ca 0.57 -0.35 -0.35 0.00 0.31 0.00 0.00 61.69 61.87 3i5j s THR 73 Cb -0.57 -1.08 -0.12 0.00 0.01 0.00 0.00 72.50 70.74 3i5j s THR 73 CO 0.61 0.37 1.90 -0.67 -0.69 0.00 0.00 174.62 176.14 3i5j n ASP 74 N 4.70 3.10 0.18 3.53 4.64 -1.26 -4.83 116.55 126.61 3i5j n ASP 74 Ca -0.15 0.91 0.16 0.00 -1.38 0.00 0.00 54.79 54.34 3i5j n ASP 74 Cb 0.50 -1.32 0.79 0.00 -1.04 0.00 0.00 41.12 40.05 3i5j n ASP 74 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3i5j h PRO 75 N 9.34 0.00 0.00 -0.67 0.13 -1.92 0.13 132.00 139.02 3i5j h PRO 75 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3i5j h PRO 75 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3i5j h PRO 75 CO 0.96 0.00 -0.49 -0.25 -0.23 0.00 0.00 178.00 177.99 3i5j n ASP 76 N -3.99 0.49 -4.16 1.44 8.00 -1.26 -4.95 116.55 112.12 3i5j n ASP 76 Ca 0.02 -0.17 -0.34 0.00 0.71 0.00 0.00 54.79 55.01 3i5j n ASP 76 Cb 0.34 0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 3i5j n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i5j n GLN 77 N -1.57 -3.37 -2.69 -1.24 6.02 0.47 -4.91 117.38 110.09 3i5j n GLN 77 Ca 0.05 0.39 -0.38 0.00 -0.01 0.00 0.00 57.00 57.05 3i5j n GLN 77 Cb 0.35 -5.05 -0.06 0.00 1.02 0.00 0.00 30.24 26.50 3i5j n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i5j s LEU 78 N -7.24 4.43 0.40 1.08 1.43 -1.26 -4.75 118.68 112.77 3i5j s LEU 78 Ca 0.63 1.97 0.07 0.00 -1.03 0.00 0.00 54.13 55.77 3i5j s LEU 78 Cb -0.34 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 41.94 3i5j s LEU 78 CO 0.92 -0.08 0.00 0.68 0.23 0.00 0.00 176.35 178.10 3i5j s VAL 79 N -1.43 1.94 0.17 -1.59 -7.23 -1.26 -4.97 120.40 106.03 3i5j s VAL 79 Ca 0.48 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.47 3i5j s VAL 79 Cb -0.23 -2.95 0.06 0.00 0.56 0.00 0.00 36.38 33.82 3i5j s VAL 79 CO 0.29 -0.02 1.71 0.22 -0.31 0.00 0.00 175.10 177.00 3i5j h TYR 80 N 1.83 0.05 -0.55 2.82 5.03 -1.99 -0.25 116.97 123.92 3i5j h TYR 80 Ca -0.43 0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.00 3i5j h TYR 80 Cb 1.24 0.04 -0.08 0.00 1.55 0.00 0.00 36.73 39.48 3i5j h TYR 80 CO 0.72 -0.03 0.08 -0.09 -1.32 0.00 0.00 178.16 177.51 3i5j h ARG 81 N 0.15 0.20 0.00 1.82 2.43 -2.00 -1.64 114.38 115.34 3i5j h ARG 81 Ca 0.19 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3i5j h ARG 81 Cb 0.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3i5j h ARG 81 CO -0.29 0.13 -0.67 1.79 -1.51 0.00 0.00 179.97 179.43 3i5j h THR 82 N 0.20 0.40 -0.24 0.20 1.35 -1.90 -2.13 112.91 110.79 3i5j h THR 82 Ca 0.28 -1.62 -0.02 0.00 -0.55 0.00 0.00 66.41 64.50 3i5j h THR 82 Cb 0.41 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 3i5j h THR 82 CO -0.39 0.23 0.08 0.22 -0.25 0.00 0.00 175.52 175.41 3i5j h TYR 83 N 0.00 0.39 -0.26 4.73 5.03 -0.76 -1.43 116.97 124.67 3i5j h TYR 83 Ca -0.04 -0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 3i5j h TYR 83 Cb 1.25 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 3i5j h TYR 83 CO 0.00 0.43 -0.18 -0.91 -1.32 0.00 0.00 178.16 176.18 3i5j h ASN 84 N 0.23 0.45 -0.04 -2.11 -0.26 -1.20 0.27 115.58 112.92 3i5j h ASN 84 Ca 0.08 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 3i5j h ASN 84 Cb 0.22 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 3i5j h ASN 84 CO -0.00 0.64 0.00 -0.07 -1.06 0.00 0.00 177.43 176.94 3i5j h LEU 85 N 0.42 0.07 -0.10 1.61 3.38 -1.30 0.27 115.31 119.66 3i5j h LEU 85 Ca 0.07 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3i5j h LEU 85 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3i5j h LEU 85 CO 0.04 0.36 0.01 -0.03 0.09 0.00 0.00 178.44 178.90 3i5j h MET 86 N -0.22 0.05 0.00 1.13 4.05 -1.00 -2.77 114.93 116.17 3i5j h MET 86 Ca 0.01 -0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.26 3i5j h MET 86 Cb 0.32 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 3i5j h MET 86 CO 0.00 0.03 -0.81 1.96 0.23 0.00 0.00 176.91 178.32 3i5j h GLN 87 N 0.05 0.00 -0.99 0.39 1.08 -0.38 -1.99 115.11 113.26 3i5j h GLN 87 Ca 0.04 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.31 3i5j h GLN 87 Cb 0.04 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.41 3i5j h GLN 87 CO -0.07 0.81 0.64 0.22 -0.95 0.00 0.00 178.83 179.49 3i5j h ASP 88 N 0.00 1.03 0.14 1.46 3.58 -0.45 0.48 116.42 122.65 3i5j h ASP 88 Ca -0.01 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3i5j h ASP 88 Cb 1.58 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.42 3i5j h ASP 88 CO 0.11 0.66 -0.07 1.23 -2.88 0.00 0.00 179.24 178.29 3i5j h GLY 89 N 1.17 -0.19 1.08 -0.78 0.00 -1.20 0.96 103.07 104.11 3i5j h GLY 89 Ca 0.43 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.73 3i5j h GLY 89 CO -0.17 -0.07 -0.03 1.46 0.00 0.00 0.00 176.54 177.74 3i5j h GLN 90 N -0.35 1.05 0.06 4.80 1.08 -1.20 -1.86 115.11 118.70 3i5j h GLN 90 Ca -0.02 -0.35 -0.24 0.00 -1.45 0.00 0.00 58.65 56.59 3i5j h GLN 90 Cb 0.28 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3i5j h GLN 90 CO 0.03 1.05 -1.09 1.49 -0.95 0.00 0.00 178.83 179.36 3i5j h GLU 91 N 0.95 0.19 -0.81 1.46 4.57 -0.03 -1.28 114.58 119.62 3i5j h GLU 91 Ca 0.16 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.09 3i5j h GLU 91 Cb 0.59 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 3i5j h GLU 91 CO 0.04 1.10 0.52 1.03 -1.18 0.00 0.00 179.01 180.51 3i5j h SER 92 N 0.07 0.86 -0.03 1.04 0.87 -0.78 0.15 113.55 115.73 3i5j h SER 92 Ca -0.08 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3i5j h SER 92 Cb 1.81 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.57 3i5j h SER 92 CO 0.17 0.59 0.02 0.22 -0.53 0.00 0.00 176.83 177.30 3i5j h TYR 93 N 1.01 0.03 -0.64 2.24 3.20 -1.17 -0.97 116.97 120.68 3i5j h TYR 93 Ca 0.32 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.21 3i5j h TYR 93 Cb 0.00 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3i5j h TYR 93 CO -0.03 0.03 0.41 0.28 -1.64 0.00 0.00 178.16 177.21 3i5j h VAL 94 N 0.03 1.11 -0.60 1.81 2.07 -0.90 -0.11 116.25 119.65 3i5j h VAL 94 Ca 0.01 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3i5j h VAL 94 Cb 0.00 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3i5j h VAL 94 CO -0.00 0.15 0.18 1.56 0.02 0.00 0.00 177.57 179.47 3i5j h GLN 95 N 0.81 0.91 -0.52 1.57 1.08 -0.57 -0.61 115.11 117.78 3i5j h GLN 95 Ca 0.25 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 3i5j h GLN 95 Cb -0.02 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 3i5j h GLN 95 CO -0.09 0.80 0.02 0.77 -0.95 0.00 0.00 178.83 179.38 3i5j h SER 96 N 0.88 0.84 -0.07 1.46 0.02 -0.71 0.10 113.55 116.07 3i5j h SER 96 Ca 0.20 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3i5j h SER 96 Cb 0.27 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3i5j h SER 96 CO -0.01 0.89 0.04 -0.07 -1.14 0.00 0.00 176.83 176.54 3i5j h LEU 97 N 0.81 0.08 -0.39 5.07 3.38 -0.42 -0.93 115.31 122.90 3i5j h LEU 97 Ca 0.16 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3i5j h LEU 97 Cb 0.46 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3i5j h LEU 97 CO 0.02 0.07 0.03 -0.26 0.09 0.00 0.00 178.44 178.39 3i5j h PHE 98 N 0.08 0.04 -0.09 1.13 0.05 -0.81 0.54 116.94 117.87 3i5j h PHE 98 Ca 0.02 0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.85 3i5j h PHE 98 Cb 0.01 0.04 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 3i5j h PHE 98 CO -0.07 -0.04 0.03 0.22 -0.18 0.00 0.00 178.31 178.27 3i5j h ASP 99 N 0.15 0.04 -0.40 2.17 3.58 -0.88 -0.69 116.42 120.38 3i5j h ASP 99 Ca 0.19 0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.52 3i5j h ASP 99 Cb 0.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 3i5j h ASP 99 CO -0.29 0.04 -0.28 -0.61 -2.88 0.00 0.00 179.24 175.22 3i5j h GLN 100 N 0.08 0.90 -0.06 0.28 5.75 -0.84 -1.52 115.11 119.70 3i5j h GLN 100 Ca 0.04 -0.43 -0.17 0.00 -0.15 0.00 0.00 58.65 57.94 3i5j h GLN 100 Cb 0.02 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3i5j h GLN 100 CO -0.04 1.08 -0.71 0.74 -2.65 0.00 0.00 178.83 177.25 3i5j h PHE 101 N 0.72 0.42 -0.35 3.99 0.04 -0.86 -1.27 116.94 119.63 3i5j h PHE 101 Ca 0.08 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.67 3i5j h PHE 101 Cb 0.86 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 3i5j h PHE 101 CO 0.06 0.92 0.22 -0.97 -0.60 0.00 0.00 178.31 177.94 3i5j h ASN 102 N 0.21 0.41 -0.98 2.17 -1.24 -1.07 -0.85 115.58 114.23 3i5j h ASN 102 Ca -0.02 -0.03 0.11 0.00 0.71 0.00 0.00 56.30 57.07 3i5j h ASN 102 Cb 1.27 -0.10 -0.08 0.00 0.73 0.00 0.00 38.32 40.14 3i5j h ASN 102 CO 0.12 0.32 0.62 -0.33 -1.29 0.00 0.00 177.43 176.87 3i5j h GLU 103 N 0.46 0.95 -0.01 6.67 4.39 -0.79 0.10 114.58 126.35 3i5j h GLU 103 Ca 0.13 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3i5j h GLU 103 Cb -0.02 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 3i5j h GLU 103 CO -0.03 0.63 0.00 0.54 -1.16 0.00 0.00 179.01 178.99 3i5j n ARG 104 N -4.58 1.11 -3.80 2.33 1.74 -0.52 -4.89 116.66 108.03 3i5j n ARG 104 Ca 0.18 -0.16 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 3i5j n ARG 104 Cb 0.34 -1.41 0.04 0.00 -1.02 0.00 0.00 32.46 30.41 3i5j n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i5j n GLU 105 N -0.73 -6.06 -0.29 5.56 1.02 0.35 -4.87 120.64 115.62 3i5j n GLU 105 Ca 0.19 0.66 0.11 0.00 -0.02 0.00 0.00 57.16 58.10 3i5j n GLU 105 Cb 0.13 -5.56 0.26 0.00 -0.02 0.00 0.00 31.44 26.26 3i5j n GLU 105 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i5j h HIS 106 N -2.20 0.53 0.00 -0.32 -0.00 -1.40 -2.65 115.15 109.11 3i5j h HIS 106 Ca -0.58 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 59.81 3i5j h HIS 106 Cb 1.37 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.68 3i5j h HIS 106 CO 0.54 -0.05 -0.12 -0.44 -0.00 0.00 0.00 177.93 177.86 3i5j h ASP 107 N 0.37 0.00 1.10 3.26 3.45 -1.89 -1.63 116.42 121.08 3i5j h ASP 107 Ca 0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.97 3i5j h ASP 107 Cb 0.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3i5j h ASP 107 CO -0.52 0.12 0.00 1.56 -1.57 0.00 0.00 179.24 178.82 3i5j h GLN 108 N 0.00 0.00 -0.13 3.56 4.20 -1.85 -3.25 115.11 117.64 3i5j h GLN 108 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i5j h GLN 108 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3i5j h GLN 108 CO 0.02 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.85 3i5j n MET 109 N -2.46 1.73 -0.75 1.46 0.00 -0.61 -4.98 117.12 111.50 3i5j n MET 109 Ca 0.03 -1.72 -0.31 0.00 0.00 0.00 0.00 57.70 55.70 3i5j n MET 109 Cb 0.33 -1.36 0.16 0.00 0.00 0.00 0.00 33.22 32.35 3i5j n MET 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 3i5j s VAL 110 N -1.37 2.07 0.47 2.03 -7.23 -1.23 -4.89 120.40 110.25 3i5j s VAL 110 Ca 0.24 0.02 -0.24 0.00 -1.81 0.00 0.00 61.98 60.19 3i5j s VAL 110 Cb 0.16 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.93 3i5j s VAL 110 CO 0.23 -0.03 1.32 -0.60 -0.31 0.00 0.00 175.10 175.71 3i5j s ARG 111 N -4.59 3.58 -0.08 4.82 3.52 -0.19 -4.87 118.95 121.14 3i5j s ARG 111 Ca 0.67 2.16 -0.40 0.00 -0.13 0.00 0.00 55.73 58.04 3i5j s ARG 111 Cb -0.23 -2.49 -0.18 0.00 -1.56 0.00 0.00 34.95 30.48 3i5j s ARG 111 CO 0.57 -0.81 1.33 -1.91 -0.81 0.00 0.00 175.30 173.67 3i5j n GLU 112 N -0.46 0.55 0.00 5.12 4.07 -1.26 -1.67 120.64 126.99 3i5j n GLU 112 Ca 0.07 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 3i5j n GLU 112 Cb 0.45 -1.77 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 3i5j n GLU 112 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i5j n GLY 113 N 2.57 2.42 0.34 8.31 0.00 -1.26 -4.93 105.19 112.64 3i5j n GLY 113 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3i5j n GLY 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3i5j h TRP 114 N 0.00 0.32 -0.34 1.61 2.91 -1.66 0.57 115.95 119.36 3i5j h TRP 114 Ca 0.00 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 3i5j h TRP 114 Cb 0.00 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 3i5j h TRP 114 CO 0.00 0.16 0.02 1.05 -1.03 0.00 0.00 178.44 178.64 3i5j h GLU 115 N 0.31 0.51 -0.30 2.65 9.09 -1.92 0.78 114.58 125.70 3i5j h GLU 115 Ca 0.23 -0.10 -0.15 0.00 0.05 0.00 0.00 59.36 59.39 3i5j h GLU 115 Cb 0.49 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 3i5j h GLU 115 CO -0.05 0.53 -0.40 0.45 0.05 0.00 0.00 179.01 179.58 3i5j h HIS 116 N 0.50 0.87 -0.28 2.06 3.86 -1.26 0.50 115.15 121.40 3i5j h HIS 116 Ca 0.11 -0.26 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 3i5j h HIS 116 Cb 0.29 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3i5j h HIS 116 CO 0.01 1.01 -0.04 1.15 0.86 0.00 0.00 177.93 180.92 3i5j h THR 117 N 0.59 1.27 -0.44 2.45 2.02 -1.09 -2.16 112.91 115.56 3i5j h THR 117 Ca 0.05 -1.04 0.08 0.00 0.77 0.00 0.00 66.41 66.27 3i5j h THR 117 Cb 0.95 1.39 -0.07 0.00 -1.74 0.00 0.00 68.15 68.68 3i5j h THR 117 CO 0.09 0.33 0.04 0.24 0.37 0.00 0.00 175.52 176.59 3i5j h MET 118 N 0.28 0.16 -0.09 6.66 2.86 -0.77 -0.25 114.93 123.78 3i5j h MET 118 Ca 0.07 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3i5j h MET 118 Cb 0.50 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3i5j h MET 118 CO 0.02 0.10 -0.12 0.00 1.06 0.00 0.00 176.91 177.98 3i5j h ALA 119 N 1.36 1.64 0.15 6.32 0.00 -0.75 0.54 119.26 128.52 3i5j h ALA 119 Ca 0.22 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 3i5j h ALA 119 Cb 0.30 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.05 3i5j h ALA 119 CO -0.32 0.27 -0.95 -0.09 0.00 0.00 0.00 179.25 178.16 3i5j h ARG 120 N 0.13 0.31 0.00 0.00 2.43 -1.18 -3.40 114.38 112.68 3i5j h ARG 120 Ca 0.03 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3i5j h ARG 120 Cb 0.30 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3i5j h ARG 120 CO 0.02 1.25 -0.75 0.00 -1.51 0.00 0.00 179.97 178.99 3i5j n TYR 122 N -1.41 0.00 0.15 0.00 4.19 0.01 -4.70 117.16 115.41 3i5j n TYR 122 Ca 0.00 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.23 3i5j n TYR 122 Cb 0.16 -0.24 0.34 0.00 0.49 0.00 0.00 39.34 40.08 3i5j n TYR 122 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 3i5j h SER 123 N -0.27 0.10 0.31 2.98 4.64 -1.31 -0.62 113.55 119.39 3i5j h SER 123 Ca -0.16 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3i5j h SER 123 Cb 1.02 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3i5j h SER 123 CO -0.10 0.43 0.00 -2.65 -0.87 0.00 0.00 176.83 173.65 3i5j n PRO 124 N -4.12 0.32 0.31 4.77 -0.02 -1.26 -2.50 135.00 132.50 3i5j n PRO 124 Ca -0.02 0.09 0.17 0.00 -2.02 0.00 0.00 63.50 61.73 3i5j n PRO 124 Cb 0.39 -1.50 0.90 0.00 -0.02 0.00 0.00 33.50 33.27 3i5j n PRO 124 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i5j h LEU 125 N 0.00 0.00 -1.69 2.45 3.38 -1.38 -0.74 115.31 117.33 3i5j h LEU 125 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i5j h LEU 125 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3i5j h LEU 125 CO 0.00 0.00 0.25 0.08 0.09 0.00 0.00 178.44 178.86 3i5j h ARG 126 N 0.00 0.40 -0.15 1.13 0.11 -1.69 0.38 114.38 114.56 3i5j h ARG 126 Ca 0.02 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 3i5j h ARG 126 Cb 0.55 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 3i5j h ARG 126 CO -0.00 0.27 -0.08 1.88 0.10 0.00 0.00 179.97 182.14 3i5j h TYR 127 N 0.41 0.38 -0.12 4.08 0.05 -1.40 -1.84 116.97 118.53 3i5j h TYR 127 Ca 0.15 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.85 3i5j h TYR 127 Cb 0.09 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3i5j h TYR 127 CO -0.00 0.65 0.03 1.25 -1.05 0.00 0.00 178.16 179.04 3i5j h LEU 128 N -0.01 0.03 -1.20 3.88 5.85 -1.43 -0.71 115.31 121.72 3i5j h LEU 128 Ca 0.03 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3i5j h LEU 128 Cb 0.56 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3i5j h LEU 128 CO 0.02 0.03 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.66 3i5j h PHE 129 N 0.09 0.28 -0.06 1.25 0.05 -0.31 -1.78 116.94 116.46 3i5j h PHE 129 Ca 0.05 -0.05 -0.10 0.00 3.82 0.00 0.00 57.97 61.70 3i5j h PHE 129 Cb 0.04 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 3i5j h PHE 129 CO -0.11 0.48 -0.41 1.25 -0.18 0.00 0.00 178.31 179.35 3i5j h HIS 130 N 0.24 0.14 -0.68 -0.55 2.76 -1.01 -1.56 115.15 114.48 3i5j h HIS 130 Ca 0.04 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3i5j h HIS 130 Cb 0.55 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 3i5j h HIS 130 CO 0.01 0.51 0.38 0.00 -1.30 0.00 0.00 177.93 177.53 3i5j h LEU 132 N 0.93 0.73 0.61 0.00 3.38 -1.04 -0.82 115.31 119.10 3i5j h LEU 132 Ca 0.24 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3i5j h LEU 132 Cb 0.03 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3i5j h LEU 132 CO -0.04 0.44 -0.29 -0.61 0.09 0.00 0.00 178.44 178.03 3i5j h GLN 133 N 0.85 -0.79 -0.65 1.13 4.15 -0.93 0.52 115.11 119.39 3i5j h GLN 133 Ca 0.37 0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.92 3i5j h GLN 133 Cb 0.25 0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.06 3i5j h GLN 133 CO -0.20 -0.53 0.32 0.52 -1.93 0.00 0.00 178.83 177.00 3i5j h MET 134 N -0.83 0.55 -0.34 1.69 2.86 -1.08 -1.67 114.93 116.12 3i5j h MET 134 Ca -0.08 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.38 3i5j h MET 134 Cb 0.63 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3i5j h MET 134 CO 0.14 0.36 -0.33 1.03 1.06 0.00 0.00 176.91 179.17 3i5j h SER 135 N 0.57 0.88 -0.99 1.22 0.87 -0.96 -1.84 113.55 113.30 3i5j h SER 135 Ca 0.31 -0.47 0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3i5j h SER 135 Cb 0.29 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 3i5j h SER 135 CO -0.24 1.16 0.65 0.28 -0.53 0.00 0.00 176.83 178.15 3i5j h SER 136 N 0.61 1.08 -0.00 6.23 0.02 0.33 -1.62 113.55 120.19 3i5j h SER 136 Ca 0.06 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3i5j h SER 136 Cb 0.91 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3i5j h SER 136 CO 0.08 0.73 -0.10 0.00 -1.14 0.00 0.00 176.83 176.41 3i5j h ALA 137 N 1.43 1.55 -0.11 3.77 0.00 -1.00 -1.11 119.26 123.78 3i5j h ALA 137 Ca 0.40 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3i5j h ALA 137 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i5j h ALA 137 CO -0.12 0.33 -0.13 -0.92 0.00 0.00 0.00 179.25 178.41 3i5j h TYR 138 N 0.23 0.35 -1.01 0.00 5.03 -0.58 -2.12 116.97 118.87 3i5j h TYR 138 Ca 0.05 -0.11 0.03 0.00 2.58 0.00 0.00 58.73 61.28 3i5j h TYR 138 Cb 0.33 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.48 3i5j h TYR 138 CO 0.01 0.71 0.66 0.28 -1.32 0.00 0.00 178.16 178.50 3i5j h VAL 139 N -0.12 1.20 -0.47 1.81 2.07 -1.03 -2.01 116.25 117.70 3i5j h VAL 139 Ca 0.02 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.19 3i5j h VAL 139 Cb 0.66 -0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 3i5j h VAL 139 CO 0.03 0.24 -0.19 -0.61 0.02 0.00 0.00 177.57 177.06 3i5j h GLN 140 N 1.30 -0.08 0.00 1.57 -0.00 -1.08 0.21 115.11 117.02 3i5j h GLN 140 Ca 0.39 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.99 3i5j h GLN 140 Cb -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 3i5j h GLN 140 CO -0.11 -0.05 -0.27 -0.56 0.00 0.00 0.00 178.83 177.84 3i5j h GLN 141 N -0.08 0.00 0.00 1.69 3.07 -0.84 -3.27 115.11 115.68 3i5j h GLN 141 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.97 3i5j h GLN 141 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 3i5j h GLN 141 CO -0.53 0.27 -1.76 -1.33 0.09 0.00 0.00 178.83 175.57 3i5j n MET 142 N -3.21 0.55 -1.86 0.06 2.81 -0.81 -5.01 117.12 109.66 3i5j n MET 142 Ca 0.02 -0.14 -0.39 0.00 -1.81 0.00 0.00 57.70 55.38 3i5j n MET 142 Cb 0.59 -1.54 0.02 0.00 -0.71 0.00 0.00 33.22 31.59 3i5j n MET 142 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i5j s ALA 143 N -3.43 3.04 -1.21 3.04 0.00 0.68 -4.81 121.76 119.07 3i5j s ALA 143 Ca -0.05 1.34 0.07 0.00 0.00 0.00 0.00 51.96 53.32 3i5j s ALA 143 Cb 0.14 -3.55 0.31 0.00 0.00 0.00 0.00 23.12 20.02 3i5j s ALA 143 CO 0.89 -1.19 1.10 -0.35 0.00 0.00 0.00 175.76 176.21 3i5j n PRO 144 N -0.55 2.27 -3.79 0.00 -0.04 -1.26 -4.78 135.00 126.85 3i5j n PRO 144 Ca 0.07 -1.23 -0.13 0.00 -0.04 0.00 0.00 63.50 62.17 3i5j n PRO 144 Cb 0.44 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 3i5j n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i5j s ALA 145 N -1.68 -0.64 0.40 0.55 0.00 -1.26 -4.69 121.76 114.45 3i5j s ALA 145 Ca 0.22 0.65 0.12 0.00 0.00 0.00 0.00 51.96 52.95 3i5j s ALA 145 Cb 0.15 -0.36 0.84 0.00 0.00 0.00 0.00 23.12 23.75 3i5j s ALA 145 CO 0.10 -0.14 1.91 0.66 0.00 0.00 0.00 175.76 178.29 3i5j h SER 146 N 5.51 0.07 0.17 0.00 4.64 -1.86 -0.76 113.55 121.31 3i5j h SER 146 Ca -0.26 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.95 3i5j h SER 146 Cb 1.19 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3i5j h SER 146 CO 0.35 0.31 -0.32 0.71 -0.87 0.00 0.00 176.83 177.01 3i5j h THR 147 N 0.07 1.27 -0.04 2.95 1.35 -1.87 0.25 112.91 116.88 3i5j h THR 147 Ca 0.01 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 3i5j h THR 147 Cb 0.45 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3i5j h THR 147 CO 0.03 0.39 -0.01 0.40 -0.25 0.00 0.00 175.52 176.08 3i5j h ILE 148 N 0.21 1.28 -0.77 6.82 2.04 -1.70 -3.11 117.51 122.27 3i5j h ILE 148 Ca 0.03 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3i5j h ILE 148 Cb 0.67 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 3i5j h ILE 148 CO 0.05 0.23 0.51 0.28 0.00 0.00 0.00 178.15 179.22 3i5j h SER 149 N -0.26 0.87 -0.64 1.72 0.02 -0.80 -2.24 113.55 112.21 3i5j h SER 149 Ca 0.01 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3i5j h SER 149 Cb 0.37 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3i5j h SER 149 CO 0.00 0.62 0.39 0.78 -1.14 0.00 0.00 176.83 177.48 3i5j h ASN 150 N 1.02 0.76 -0.88 3.07 -0.26 -0.55 0.15 115.58 118.89 3i5j h ASN 150 Ca 0.29 -0.06 0.07 0.00 -0.56 0.00 0.00 56.30 56.04 3i5j h ASN 150 Cb -0.07 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 36.93 3i5j h ASN 150 CO -0.07 0.59 0.54 0.00 -1.06 0.00 0.00 177.43 177.43 3i5j h ILE 153 N 0.96 0.90 -0.04 0.00 2.04 -0.26 0.17 117.51 121.27 3i5j h ILE 153 Ca 0.17 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 3i5j h ILE 153 Cb 0.58 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3i5j h ILE 153 CO 0.03 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.85 3i5j h LEU 154 N 0.02 0.06 -0.69 1.44 3.38 -1.35 -0.59 115.31 117.58 3i5j h LEU 154 Ca 0.06 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3i5j h LEU 154 Cb 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3i5j h LEU 154 CO -0.11 0.33 -0.43 -0.61 0.09 0.00 0.00 178.44 177.71 3i5j h GLN 155 N 0.06 0.50 -0.36 1.13 4.15 -0.98 0.60 115.11 120.22 3i5j h GLN 155 Ca 0.01 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 3i5j h GLN 155 Cb 0.50 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 3i5j h GLN 155 CO 0.04 0.84 0.19 1.15 -1.93 0.00 0.00 178.83 179.12 3i5j h THR 156 N 0.41 1.15 -0.52 2.39 2.02 0.19 -0.44 112.91 118.11 3i5j h THR 156 Ca 0.03 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3i5j h THR 156 Cb 0.93 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3i5j h THR 156 CO 0.08 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.40 3i5j h ALA 157 N 1.04 0.66 -0.98 6.16 0.00 -0.76 -2.20 119.26 123.18 3i5j h ALA 157 Ca 0.12 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3i5j h ALA 157 Cb 0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3i5j h ALA 157 CO -0.02 0.20 0.63 -0.44 0.00 0.00 0.00 179.25 179.62 3i5j h ASP 158 N 0.69 1.02 -0.59 0.00 3.45 -0.69 0.15 116.42 120.45 3i5j h ASP 158 Ca 0.18 0.01 0.06 0.00 0.43 0.00 0.00 57.03 57.70 3i5j h ASP 158 Cb 0.07 -0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 38.58 3i5j h ASP 158 CO -0.03 0.66 0.30 0.28 -1.57 0.00 0.00 179.24 178.89 3i5j h SER 159 N 1.16 0.43 -0.37 6.45 0.02 -0.48 -1.07 113.55 119.69 3i5j h SER 159 Ca 0.42 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.33 3i5j h SER 159 Cb 0.13 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3i5j h SER 159 CO -0.16 0.28 -0.00 0.25 -1.14 0.00 0.00 176.83 176.06 3i5j h LEU 160 N 0.57 0.72 -0.59 5.07 5.85 -1.07 0.07 115.31 125.93 3i5j h LEU 160 Ca 0.27 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3i5j h LEU 160 Cb 0.19 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3i5j h LEU 160 CO -0.19 0.79 0.33 -0.09 -0.34 0.00 0.00 178.44 178.95 3i5j h ARG 161 N 0.70 0.63 -0.21 1.25 2.43 0.24 0.42 114.38 119.84 3i5j h ARG 161 Ca 0.14 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.08 3i5j h ARG 161 Cb 0.44 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3i5j h ARG 161 CO 0.02 0.41 -0.62 -1.49 -1.51 0.00 0.00 179.97 176.78 3i5j h TRP 162 N 0.65 0.96 -0.54 2.20 6.55 -0.72 -0.46 115.95 124.59 3i5j h TRP 162 Ca 0.25 -0.37 0.09 0.00 0.95 0.00 0.00 58.89 59.81 3i5j h TRP 162 Cb 0.10 -0.17 -0.07 0.00 -0.86 0.00 0.00 29.16 28.15 3i5j h TRP 162 CO -0.07 1.18 0.14 1.25 -1.05 0.00 0.00 178.44 179.88 3i5j h LEU 163 N 0.55 0.06 -0.29 -4.49 6.46 -0.70 -1.83 115.31 115.08 3i5j h LEU 163 Ca -0.01 0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.73 3i5j h LEU 163 Cb 1.22 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 3i5j h LEU 163 CO 0.13 0.05 -0.25 0.74 -0.62 0.00 0.00 178.44 178.49 3i5j h THR 164 N 0.29 1.30 -0.79 1.05 2.02 -0.52 0.01 112.91 116.26 3i5j h THR 164 Ca 0.28 -1.40 0.18 0.00 0.77 0.00 0.00 66.41 66.23 3i5j h THR 164 Cb 0.37 1.56 -0.14 0.00 -1.74 0.00 0.00 68.15 68.19 3i5j h THR 164 CO -0.33 0.45 -0.07 0.45 0.37 0.00 0.00 175.52 176.39 3i5j h HIS 165 N 0.42 -0.19 -0.37 3.16 3.86 -0.95 -0.52 115.15 120.56 3i5j h HIS 165 Ca 0.05 0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.20 3i5j h HIS 165 Cb 0.81 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 3i5j h HIS 165 CO 0.07 -0.30 -0.25 1.15 0.86 0.00 0.00 177.93 179.47 3i5j h THR 166 N 0.05 1.28 -0.46 2.45 2.02 -0.60 -1.08 112.91 116.57 3i5j h THR 166 Ca 0.42 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 66.22 3i5j h THR 166 Cb 0.72 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3i5j h THR 166 CO -0.75 0.46 0.28 0.00 0.37 0.00 0.00 175.52 175.89 3i5j h ALA 167 N 0.78 0.59 -0.09 6.16 0.00 -0.71 -0.71 119.26 125.28 3i5j h ALA 167 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i5j h ALA 167 Cb 0.81 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i5j h ALA 167 CO 0.07 -0.02 0.06 -0.92 0.00 0.00 0.00 179.25 178.44 3i5j h TYR 168 N 0.57 0.12 -0.04 0.00 3.20 -0.92 -1.74 116.97 118.17 3i5j h TYR 168 Ca 0.18 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 3i5j h TYR 168 Cb -0.01 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3i5j h TYR 168 CO -0.06 0.11 -0.58 0.00 -1.64 0.00 0.00 178.16 175.99 3i5j h ARG 169 N 0.10 0.12 0.19 1.82 2.47 -1.07 0.23 114.38 118.23 3i5j h ARG 169 Ca 0.03 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 3i5j h ARG 169 Cb 0.03 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3i5j h ARG 169 CO -0.01 0.67 -0.09 1.15 0.56 0.00 0.00 179.97 182.25 3i5j h THR 170 N 0.09 0.84 -0.26 2.04 2.02 -0.96 0.20 112.91 116.88 3i5j h THR 170 Ca -0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3i5j h THR 170 Cb 1.05 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3i5j h THR 170 CO 0.08 0.04 0.17 -0.74 0.37 0.00 0.00 175.52 175.44 3i5j h HIS 171 N -0.33 0.32 -0.18 3.16 -0.00 -1.18 -1.88 115.15 115.06 3i5j h HIS 171 Ca -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 3i5j h HIS 171 Cb 0.26 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 3i5j h HIS 171 CO -0.04 0.21 0.08 1.49 -0.00 0.00 0.00 177.93 179.67 3i5j h GLU 172 N 0.34 0.25 -1.00 5.26 4.81 -0.88 -2.40 114.58 120.97 3i5j h GLU 172 Ca 0.09 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.44 3i5j h GLU 172 Cb -0.04 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.20 3i5j h GLU 172 CO -0.02 0.29 0.62 1.25 -0.73 0.00 0.00 179.01 180.42 3i5j h LEU 173 N 0.16 0.85 -2.44 1.64 5.85 -0.94 -1.76 115.31 118.67 3i5j h LEU 173 Ca 0.06 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3i5j h LEU 173 Cb 0.12 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3i5j h LEU 173 CO -0.01 0.39 0.00 0.77 -0.34 0.00 0.00 178.44 179.25 3i5j h SER 174 N 0.88 0.00 -0.04 1.25 4.64 -0.81 0.27 113.55 119.74 3i5j h SER 174 Ca 0.53 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.60 3i5j h SER 174 Cb 0.68 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.78 3i5j h SER 174 CO -0.32 0.00 -0.97 -0.07 -0.87 0.00 0.00 176.83 174.60 3i5j h LEU 175 N 0.00 0.93 -0.03 5.97 3.38 -1.24 -2.42 115.31 121.89 3i5j h LEU 175 Ca 0.00 -0.71 -0.23 0.00 0.09 0.00 0.00 57.88 57.03 3i5j h LEU 175 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3i5j h LEU 175 CO 0.00 1.50 -1.06 0.74 0.09 0.00 0.00 178.44 179.71 3i5j h THR 176 N 0.43 1.56 -2.92 0.22 2.02 -1.48 -3.41 112.91 109.33 3i5j h THR 176 Ca -0.11 -3.02 -0.62 0.00 0.77 0.00 0.00 66.41 63.44 3i5j h THR 176 Cb 1.61 2.77 -0.42 0.00 -1.74 0.00 0.00 68.15 70.38 3i5j h THR 176 CO 0.19 0.88 -0.61 -1.22 0.37 0.00 0.00 175.52 175.13 3i5j n TYR 177 N -3.52 2.99 1.92 3.16 4.02 0.89 -4.93 117.16 121.67 3i5j n TYR 177 Ca -0.05 -4.22 0.14 0.00 -0.01 0.00 0.00 57.90 53.76 3i5j n TYR 177 Cb 0.93 -0.56 0.80 0.00 -0.02 0.00 0.00 39.34 40.50 3i5j n TYR 177 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3i5j n PRO 178 N 1.88 1.10 -1.21 -0.72 -0.04 -0.92 -3.80 135.00 131.28 3i5j n PRO 178 Ca 0.22 -0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 3i5j n PRO 178 Cb 0.37 -1.45 0.13 0.00 -0.04 0.00 0.00 33.50 32.51 3i5j n PRO 178 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i5j n ASP 179 N -0.78 2.90 -0.30 3.54 8.00 -1.26 -4.57 116.55 124.07 3i5j n ASP 179 Ca 0.21 -3.75 0.04 0.00 0.71 0.00 0.00 54.79 51.99 3i5j n ASP 179 Cb 0.13 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 40.82 3i5j n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i5j n ALA 180 N -0.90 2.43 -1.41 2.24 0.00 -1.25 -5.00 120.51 116.61 3i5j n ALA 180 Ca 0.28 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 3i5j n ALA 180 Cb 0.81 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 3i5j n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5j n GLY 181 N 0.35 0.89 3.67 0.00 0.00 -1.26 -4.86 105.19 103.98 3i5j n GLY 181 Ca 0.05 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3i5j n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i5j s LEU 182 N -2.12 4.34 0.00 0.99 1.43 -1.26 -1.74 118.68 120.32 3i5j s LEU 182 Ca 0.00 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 3i5j s LEU 182 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3i5j s LEU 182 CO 0.00 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.28 3i5j n GLY 183 N 4.10 1.03 0.03 -3.19 0.00 -1.26 -4.84 105.19 101.05 3i5j n GLY 183 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 3i5j n GLY 183 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5j n GLU 184 N -2.00 0.93 -0.03 1.61 1.02 -0.71 -4.86 120.64 116.60 3i5j n GLU 184 Ca 0.00 0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.18 3i5j n GLU 184 Cb 0.00 -1.13 0.03 0.00 -0.02 0.00 0.00 31.44 30.33 3i5j n GLU 184 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3i5j n HIS 185 N -2.56 0.09 -0.29 -0.32 8.25 -0.96 -4.71 115.22 114.73 3i5j n HIS 185 Ca -0.10 -0.40 -0.05 0.00 -0.26 0.00 0.00 57.72 56.91 3i5j n HIS 185 Cb 0.63 -0.04 0.06 0.00 1.12 0.00 0.00 29.99 31.77 3i5j n HIS 185 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3i5j h GLU 186 N 0.50 1.12 -0.58 -0.41 3.07 -1.89 -1.91 114.58 114.49 3i5j h GLU 186 Ca 0.00 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3i5j h GLU 186 Cb 0.46 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 3i5j h GLU 186 CO 0.00 0.87 0.33 -0.09 -1.40 0.00 0.00 179.01 178.72 3i5j h ARG 187 N 1.10 0.80 -0.97 2.33 2.43 -1.97 -0.58 114.38 117.52 3i5j h ARG 187 Ca 0.27 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3i5j h ARG 187 Cb 0.11 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3i5j h ARG 187 CO -0.04 0.60 0.64 1.49 -1.51 0.00 0.00 179.97 181.15 3i5j h GLU 188 N 0.78 1.24 0.16 0.20 4.57 -1.83 0.14 114.58 119.83 3i5j h GLU 188 Ca 0.21 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3i5j h GLU 188 Cb 0.02 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.33 3i5j h GLU 188 CO -0.04 0.82 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.47 3i5j h LEU 189 N 1.28 -0.18 -1.07 1.64 3.38 -0.96 0.51 115.31 119.91 3i5j h LEU 189 Ca 0.37 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.30 3i5j h LEU 189 Cb -0.08 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3i5j h LEU 189 CO -0.10 -0.01 0.63 -0.25 0.09 0.00 0.00 178.44 178.80 3i5j h TRP 190 N -0.35 1.14 0.09 1.13 2.91 -0.88 -0.70 115.95 119.28 3i5j h TRP 190 Ca -0.02 0.03 -0.27 0.00 1.13 0.00 0.00 58.89 59.76 3i5j h TRP 190 Cb 0.28 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 28.54 3i5j h TRP 190 CO -0.02 0.58 -1.29 0.93 -1.03 0.00 0.00 178.44 177.60 3i5j h GLU 191 N 1.11 0.18 0.00 2.65 5.08 -0.78 -3.43 114.58 119.39 3i5j h GLU 191 Ca 0.42 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3i5j h GLU 191 Cb 0.20 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3i5j h GLU 191 CO -0.17 1.09 -0.91 1.63 -1.00 0.00 0.00 179.01 179.65 3i5j n LYS 192 N -3.43 2.30 -2.03 2.33 5.02 0.18 -4.97 118.16 117.56 3i5j n LYS 192 Ca -0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 3i5j n LYS 192 Cb 1.01 -0.95 -0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3i5j n LYS 192 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3i5j s GLU 193 N -1.87 4.24 0.40 1.97 2.56 -0.29 -4.91 118.70 120.80 3i5j s GLU 193 Ca 0.00 2.22 0.10 0.00 0.00 0.00 0.00 54.97 57.29 3i5j s GLU 193 Cb 0.00 -3.44 0.90 0.00 2.00 0.00 0.00 34.13 33.59 3i5j s GLU 193 CO 0.00 -0.63 1.97 -1.35 -0.56 0.00 0.00 175.26 174.69 3i5j h PRO 194 N 7.65 0.55 0.00 4.30 0.11 -1.95 -1.95 132.00 140.70 3i5j h PRO 194 Ca -0.42 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i5j h PRO 194 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i5j h PRO 194 CO 0.91 0.36 -0.00 0.78 -0.21 0.00 0.00 178.00 179.84 3i5j h GLY 195 N 0.56 0.00 0.46 -0.55 0.00 -1.91 -2.21 103.07 99.42 3i5j h GLY 195 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3i5j h GLY 195 CO -0.09 0.00 -1.39 0.79 0.00 0.00 0.00 176.54 175.85 3i5j n TRP 196 N -3.17 0.36 0.09 5.60 7.02 -0.75 -3.01 117.44 123.59 3i5j n TRP 196 Ca -0.03 0.11 -0.01 0.00 -1.02 0.00 0.00 57.50 56.55 3i5j n TRP 196 Cb 0.10 -0.60 0.27 0.00 -2.42 0.00 0.00 31.31 28.67 3i5j n TRP 196 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3i5j h GLN 197 N 0.00 0.26 0.06 -0.99 1.08 -1.22 0.78 115.11 115.08 3i5j h GLN 197 Ca 0.00 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3i5j h GLN 197 Cb 0.90 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3i5j h GLN 197 CO 0.00 0.55 -0.03 0.78 -0.95 0.00 0.00 178.83 179.18 3i5j h GLY 198 N 1.05 -0.08 0.94 3.46 0.00 -1.80 -0.11 103.07 106.53 3i5j h GLY 198 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3i5j h GLY 198 CO 0.05 -0.03 0.36 1.41 0.00 0.00 0.00 176.54 178.33 3i5j h LEU 199 N -0.18 0.60 -0.59 3.11 3.38 -1.73 0.12 115.31 120.03 3i5j h LEU 199 Ca -0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3i5j h LEU 199 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3i5j h LEU 199 CO 0.01 0.43 -0.20 -0.09 0.09 0.00 0.00 178.44 178.68 3i5j h ARG 200 N 0.72 0.91 -0.28 1.13 2.43 -0.68 0.22 114.38 118.82 3i5j h ARG 200 Ca 0.22 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3i5j h ARG 200 Cb -0.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3i5j h ARG 200 CO -0.07 1.03 0.13 1.49 -1.51 0.00 0.00 179.97 181.03 3i5j h GLU 201 N 0.80 0.42 -0.13 0.20 4.81 -0.74 -1.48 114.58 118.45 3i5j h GLU 201 Ca 0.11 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3i5j h GLU 201 Cb 0.75 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 3i5j h GLU 201 CO 0.06 0.42 -0.25 1.25 -0.73 0.00 0.00 179.01 179.76 3i5j h LEU 202 N 0.32 -0.77 -0.46 1.64 5.85 -0.32 -2.04 115.31 119.54 3i5j h LEU 202 Ca 0.10 0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 3i5j h LEU 202 Cb 0.15 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3i5j h LEU 202 CO -0.01 -0.30 -0.66 0.24 -0.34 0.00 0.00 178.44 177.37 3i5j h MET 203 N -0.32 0.45 -0.51 1.25 2.86 -0.85 0.22 114.93 118.04 3i5j h MET 203 Ca 0.10 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3i5j h MET 203 Cb 0.46 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3i5j h MET 203 CO -0.31 0.96 0.24 0.93 1.06 0.00 0.00 176.91 179.79 3i5j h GLU 204 N 0.32 0.73 -0.42 1.72 5.08 -1.18 0.36 114.58 121.20 3i5j h GLU 204 Ca -0.02 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 3i5j h GLU 204 Cb 1.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3i5j h GLU 204 CO 0.12 0.62 -0.24 0.87 -1.00 0.00 0.00 179.01 179.37 3i5j h LYS 205 N 0.67 0.86 -0.65 2.33 1.57 -1.30 -3.16 116.57 116.89 3i5j h LYS 205 Ca 0.17 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 3i5j h LYS 205 Cb 0.13 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3i5j h LYS 205 CO -0.02 1.01 0.11 0.37 -0.57 0.00 0.00 179.45 180.34 3i5j h GLN 206 N 0.74 1.06 0.00 3.15 -0.00 -0.63 -2.06 115.11 117.37 3i5j h GLN 206 Ca 0.10 -0.27 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 3i5j h GLN 206 Cb 0.78 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.13 3i5j h GLN 206 CO 0.06 0.97 0.00 1.28 0.00 0.00 0.00 178.83 181.14 3i5j n LEU 207 N -4.22 0.07 -0.86 -2.39 4.77 0.12 -1.71 117.00 112.79 3i5j n LEU 207 Ca 0.04 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.62 3i5j n LEU 207 Cb 0.28 -0.52 0.23 0.00 -2.33 0.00 0.00 43.42 41.09 3i5j n LEU 207 CO 0.43 -0.38 0.69 0.35 -1.33 0.00 0.00 177.39 177.15 3i5j n THR 208 N -1.58 1.92 -3.03 -5.08 -2.24 -0.78 -4.85 114.28 98.64 3i5j n THR 208 Ca 0.02 -1.60 -0.44 0.00 -2.27 0.00 0.00 64.05 59.77 3i5j n THR 208 Cb 0.11 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 3i5j n THR 208 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i5j s ALA 209 N -2.27 3.30 -0.20 6.98 0.00 -0.69 -4.92 121.76 123.95 3i5j s ALA 209 Ca 0.37 -1.83 0.22 0.00 0.00 0.00 0.00 51.96 50.73 3i5j s ALA 209 Cb 0.28 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 3i5j s ALA 209 CO 0.11 -2.33 0.81 1.19 0.00 0.00 0.00 175.76 175.54 3i5j n PHE 210 N 6.76 0.50 -1.68 0.00 0.99 -1.26 -4.33 117.46 118.43 3i5j n PHE 210 Ca -0.06 0.14 -0.45 0.00 -0.00 0.00 0.00 57.45 57.09 3i5j n PHE 210 Cb 0.45 -0.71 -0.04 0.00 -1.00 0.00 0.00 39.48 38.18 3i5j n PHE 210 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3i5j n ASP 211 N -2.42 3.27 -0.18 4.37 2.03 -1.26 -4.82 116.55 117.53 3i5j n ASP 211 Ca -0.01 1.09 -0.02 0.00 0.52 0.00 0.00 54.79 56.36 3i5j n ASP 211 Cb 0.54 -1.46 0.20 0.00 -0.72 0.00 0.00 41.12 39.68 3i5j n ASP 211 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3i5j h TRP 212 N 5.90 0.94 -0.23 -0.67 5.08 -1.23 0.15 115.95 125.88 3i5j h TRP 212 Ca -0.45 -0.04 -0.04 0.00 1.08 0.00 0.00 58.89 59.44 3i5j h TRP 212 Cb 1.24 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.10 3i5j h TRP 212 CO 0.62 0.70 -0.01 0.78 -1.28 0.00 0.00 178.44 179.25 3i5j h GLY 213 N 1.01 0.44 1.54 11.11 0.00 -1.90 0.49 103.07 115.76 3i5j h GLY 213 Ca 0.23 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 3i5j h GLY 213 CO -0.03 0.30 -0.39 -2.09 0.00 0.00 0.00 176.54 174.33 3i5j h GLU 214 N 0.17 0.51 0.26 4.80 4.81 -1.86 -0.55 114.58 122.73 3i5j h GLU 214 Ca 0.06 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3i5j h GLU 214 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3i5j h GLU 214 CO 0.01 0.83 -0.13 0.00 -0.73 0.00 0.00 179.01 178.99 3i5j h ALA 215 N 1.15 -0.35 -0.39 2.92 0.00 -0.44 -0.62 119.26 121.52 3i5j h ALA 215 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i5j h ALA 215 Cb 0.88 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3i5j h ALA 215 CO 0.07 -0.66 0.23 0.35 0.00 0.00 0.00 179.25 179.25 3i5j h PHE 216 N -0.43 0.44 -0.28 0.00 3.57 -0.76 -0.57 116.94 118.92 3i5j h PHE 216 Ca -0.04 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3i5j h PHE 216 Cb 0.32 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3i5j h PHE 216 CO -0.04 0.26 -0.00 0.28 -2.23 0.00 0.00 178.31 176.58 3i5j h VAL 217 N 0.48 1.26 -0.36 1.41 2.07 -0.99 0.12 116.25 120.24 3i5j h VAL 217 Ca 0.15 -0.92 -0.13 0.00 0.82 0.00 0.00 66.70 66.62 3i5j h VAL 217 Cb -0.01 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3i5j h VAL 217 CO -0.06 0.29 -0.29 0.77 0.02 0.00 0.00 177.57 178.30 3i5j h SER 218 N 0.27 0.88 0.35 0.57 4.64 -1.06 -0.13 113.55 119.07 3i5j h SER 218 Ca 0.08 -0.45 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3i5j h SER 218 Cb 0.43 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3i5j h SER 218 CO 0.01 1.14 -0.17 0.25 -0.87 0.00 0.00 176.83 177.20 3i5j h LEU 219 N 0.62 -0.40 0.00 5.97 5.85 -1.00 -1.17 115.31 125.19 3i5j h LEU 219 Ca 0.06 -0.16 -0.25 0.00 0.84 0.00 0.00 57.88 58.38 3i5j h LEU 219 Cb 0.87 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 3i5j h LEU 219 CO 0.08 0.02 -1.46 0.78 -0.34 0.00 0.00 178.44 177.51 3i5j h ASN 220 N -0.89 0.00 0.01 1.25 4.21 -0.82 -0.48 115.58 118.85 3i5j h ASN 220 Ca -0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.46 3i5j h ASN 220 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 3i5j h ASN 220 CO 0.08 0.90 -1.72 0.18 -1.29 0.00 0.00 177.43 175.58 3i5j n LEU 221 N -3.08 0.27 -0.01 1.61 4.77 -0.08 -4.36 117.00 116.12 3i5j n LEU 221 Ca -0.11 -0.13 -0.04 0.00 -0.03 0.00 0.00 56.01 55.69 3i5j n LEU 221 Cb 0.98 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.05 3i5j n LEU 221 CO 0.45 0.07 -0.35 0.52 -1.33 0.00 0.00 177.39 176.75 3i5j n VAL 222 N -2.06 1.17 0.18 4.08 0.31 -1.07 -4.70 118.33 116.24 3i5j n VAL 222 Ca -0.02 0.23 -0.13 0.00 -0.01 0.00 0.00 64.34 64.41 3i5j n VAL 222 Cb 0.51 -1.80 -0.08 0.00 -0.91 0.00 0.00 33.84 31.55 3i5j n VAL 222 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3i5j h VAL 223 N -0.34 0.60 -0.36 2.52 2.07 -1.21 -2.87 116.25 116.66 3i5j h VAL 223 Ca -0.05 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3i5j h VAL 223 Cb 0.51 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3i5j h VAL 223 CO -0.03 0.10 -0.14 0.11 0.02 0.00 0.00 177.57 177.63 3i5j h LYS 224 N -0.82 0.65 0.00 1.57 1.57 -1.30 -1.54 116.57 116.70 3i5j h LYS 224 Ca -0.05 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3i5j h LYS 224 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3i5j h LYS 224 CO 0.08 0.77 -0.20 -1.35 -0.57 0.00 0.00 179.45 178.18 3i5j h PRO 225 N 0.59 0.00 -0.18 3.15 0.11 -1.76 -2.57 132.00 131.34 3i5j h PRO 225 Ca 0.10 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 3i5j h PRO 225 Cb 0.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3i5j h PRO 225 CO 0.04 0.20 -0.46 1.98 -0.21 0.00 0.00 178.00 179.55 3i5j h MET 226 N 0.00 0.45 -0.63 1.05 1.85 -1.08 -2.02 114.93 114.55 3i5j h MET 226 Ca -0.00 -0.25 -0.08 0.00 -0.61 0.00 0.00 59.70 58.77 3i5j h MET 226 Cb 0.35 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 3i5j h MET 226 CO 0.03 0.82 0.09 0.82 -0.40 0.00 0.00 176.91 178.27 3i5j h ILE 227 N 0.37 1.26 0.07 1.77 2.04 -0.93 0.49 117.51 122.57 3i5j h ILE 227 Ca 0.02 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3i5j h ILE 227 Cb 0.95 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3i5j h ILE 227 CO 0.08 0.38 -0.03 0.58 0.00 0.00 0.00 178.15 179.16 3i5j h VAL 228 N 0.96 1.10 0.00 1.67 2.07 -1.42 0.16 116.25 120.81 3i5j h VAL 228 Ca 0.19 -0.61 -0.19 0.00 0.82 0.00 0.00 66.70 66.91 3i5j h VAL 228 Cb 0.43 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3i5j h VAL 228 CO 0.01 0.15 -0.96 1.05 0.02 0.00 0.00 177.57 177.84 3i5j h GLU 229 N -0.37 0.00 0.00 1.57 4.11 -1.08 -2.05 114.58 116.76 3i5j h GLU 229 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3i5j h GLU 229 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3i5j h GLU 229 CO 0.02 0.82 -1.04 0.43 0.07 0.00 0.00 179.01 179.31 3i5j n SER 230 N -3.28 1.14 0.03 3.06 7.64 0.17 -4.35 113.62 118.02 3i5j n SER 230 Ca -0.01 -0.48 -0.01 0.00 1.01 0.00 0.00 58.87 59.38 3i5j n SER 230 Cb 0.90 1.26 -0.00 0.00 -1.01 0.00 0.00 64.21 65.36 3i5j n SER 230 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3i5j n ILE 231 N -1.59 1.20 0.29 0.44 5.41 -0.50 -4.63 119.36 119.99 3i5j n ILE 231 Ca 0.00 0.36 -0.17 0.00 1.00 0.00 0.00 62.75 63.95 3i5j n ILE 231 Cb 0.27 -1.66 -0.09 0.00 -0.71 0.00 0.00 39.64 37.46 3i5j n ILE 231 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3i5j h PHE 232 N -0.10 -0.65 -0.21 1.39 0.05 -0.75 -1.35 116.94 115.33 3i5j h PHE 232 Ca -0.00 -0.02 -0.19 0.00 3.82 0.00 0.00 57.97 61.58 3i5j h PHE 232 Cb 0.16 0.21 0.00 0.00 2.00 0.00 0.00 35.95 38.32 3i5j h PHE 232 CO -0.04 -0.40 -0.63 0.87 -0.18 0.00 0.00 178.31 177.94 3i5j h LYS 233 N -0.72 0.73 -0.31 1.51 1.57 -1.60 -2.36 116.57 115.39 3i5j h LYS 233 Ca -0.07 -0.50 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 3i5j h LYS 233 Cb 0.54 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3i5j h LYS 233 CO 0.12 1.13 -0.07 -1.35 -0.57 0.00 0.00 179.45 178.70 3i5j h PRO 234 N 0.54 0.50 -0.64 3.15 0.11 -1.75 -2.28 132.00 131.63 3i5j h PRO 234 Ca -0.01 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3i5j h PRO 234 Cb 1.22 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3i5j h PRO 234 CO 0.13 0.58 0.28 -0.07 -0.21 0.00 0.00 178.00 178.71 3i5j h LEU 235 N 0.47 0.84 -0.61 2.35 3.38 -1.05 -0.61 115.31 120.09 3i5j h LEU 235 Ca 0.09 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3i5j h LEU 235 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3i5j h LEU 235 CO 0.02 0.74 0.16 1.56 0.09 0.00 0.00 178.44 181.01 3i5j h GLN 236 N 0.91 0.96 -0.66 1.13 4.20 -0.89 -0.68 115.11 120.08 3i5j h GLN 236 Ca 0.22 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3i5j h GLN 236 Cb 0.15 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3i5j h GLN 236 CO -0.02 0.87 0.30 0.37 -0.67 0.00 0.00 178.83 179.68 3i5j h GLN 237 N 0.88 0.97 -0.54 1.46 5.75 -1.10 -1.62 115.11 120.91 3i5j h GLN 237 Ca 0.19 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3i5j h GLN 237 Cb 0.33 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3i5j h GLN 237 CO -0.00 0.78 0.04 1.96 -2.65 0.00 0.00 178.83 178.97 3i5j h GLN 238 N 0.93 0.92 -0.91 1.69 1.08 -0.89 -2.12 115.11 115.81 3i5j h GLN 238 Ca 0.23 -0.27 0.08 0.00 -1.45 0.00 0.00 58.65 57.24 3i5j h GLN 238 Cb 0.15 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 3i5j h GLN 238 CO -0.02 0.91 0.59 0.00 -0.95 0.00 0.00 178.83 179.36 3i5j h ALA 239 N 0.97 1.55 -0.45 3.87 0.00 -1.02 -1.48 119.26 122.70 3i5j h ALA 239 Ca 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3i5j h ALA 239 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3i5j h ALA 239 CO 0.02 0.29 0.03 2.35 0.00 0.00 0.00 179.25 181.94 3i5j h TRP 240 N 0.98 0.75 -0.00 0.00 7.01 -0.64 -0.75 115.95 123.31 3i5j h TRP 240 Ca 0.41 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.32 3i5j h TRP 240 Cb 0.29 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 3i5j h TRP 240 CO -0.00 0.69 -0.29 0.39 -2.79 0.00 0.00 178.44 176.44 3i5j n GLU 241 N -4.25 0.18 -0.30 2.65 1.02 -0.70 -3.36 120.64 115.89 3i5j n GLU 241 Ca 0.03 -0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.16 3i5j n GLU 241 Cb 0.27 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.38 3i5j n GLU 241 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3i5j n ASN 242 N -1.34 2.77 -3.00 1.62 4.13 -0.64 -4.97 115.26 113.83 3i5j n ASN 242 Ca 0.08 -3.20 -0.22 0.00 1.68 0.00 0.00 54.58 52.92 3i5j n ASN 242 Cb 0.33 -0.49 0.02 0.00 -1.54 0.00 0.00 39.78 38.10 3i5j n ASN 242 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3i5j n ASN 243 N -1.10 -5.64 -4.31 6.41 5.15 -0.82 -1.03 115.26 113.92 3i5j n ASN 243 Ca 0.19 -0.26 -0.45 0.00 -0.60 0.00 0.00 54.58 53.46 3i5j n ASN 243 Cb 0.76 -4.59 -0.06 0.00 -0.53 0.00 0.00 39.78 35.36 3i5j n ASN 243 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i5j s ASP 244 N -2.62 6.10 0.00 1.20 -1.08 -0.35 -4.28 116.67 115.64 3i5j s ASP 244 Ca 0.28 -1.72 0.23 0.00 -0.52 0.00 0.00 52.55 50.82 3i5j s ASP 244 Cb -0.13 -2.17 0.08 0.00 -1.46 0.00 0.00 42.92 39.24 3i5j s ASP 244 CO 0.35 -0.79 1.12 0.35 0.52 0.00 0.00 175.17 176.72 3i5j n THR 245 N 5.19 0.00 -0.04 1.71 -2.24 -1.26 -4.24 114.28 113.39 3i5j n THR 245 Ca -0.13 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 3i5j n THR 245 Cb 0.41 0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 3i5j n THR 245 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3i5j h LEU 246 N 0.10 0.12 -0.73 3.22 5.85 -1.97 -3.36 115.31 118.55 3i5j h LEU 246 Ca 0.00 -0.87 0.14 0.00 0.84 0.00 0.00 57.88 58.00 3i5j h LEU 246 Cb 0.51 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.40 3i5j h LEU 246 CO 0.00 0.97 0.25 0.25 -0.34 0.00 0.00 178.44 179.58 3i5j h LEU 247 N -0.72 0.19 -1.09 2.25 5.85 -1.98 -1.40 115.31 118.40 3i5j h LEU 247 Ca -0.02 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3i5j h LEU 247 Cb 1.01 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3i5j h LEU 247 CO 0.03 0.06 0.61 -0.65 -0.34 0.00 0.00 178.44 178.16 3i5j h PRO 248 N 0.38 1.22 -0.51 5.25 0.11 -1.76 0.10 132.00 136.79 3i5j h PRO 248 Ca 0.40 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.32 3i5j h PRO 248 Cb 0.62 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3i5j h PRO 248 CO -0.42 0.80 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.96 3i5j h LEU 249 N 1.25 1.00 -0.26 2.35 3.38 -1.52 -0.21 115.31 121.31 3i5j h LEU 249 Ca 0.34 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3i5j h LEU 249 Cb -0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.32 3i5j h LEU 249 CO -0.07 1.14 -0.02 0.25 0.09 0.00 0.00 178.44 179.82 3i5j h LEU 250 N 0.85 0.46 -1.30 1.67 5.85 -0.95 -2.04 115.31 119.85 3i5j h LEU 250 Ca 0.13 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3i5j h LEU 250 Cb 0.71 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3i5j h LEU 250 CO 0.05 0.68 -0.17 0.40 -0.34 0.00 0.00 178.44 179.06 3i5j h ILE 251 N 0.23 1.20 -0.52 4.05 2.04 -0.78 -1.38 117.51 122.35 3i5j h ILE 251 Ca 0.07 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 3i5j h ILE 251 Cb 0.45 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3i5j h ILE 251 CO 0.02 0.28 0.17 0.44 0.00 0.00 0.00 178.15 179.06 3i5j h ASP 252 N 0.24 0.71 -0.40 1.72 3.32 -0.79 0.22 116.42 121.44 3i5j h ASP 252 Ca 0.05 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3i5j h ASP 252 Cb 0.45 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3i5j h ASP 252 CO 0.03 0.68 0.16 -1.28 -1.72 0.00 0.00 179.24 177.11 3i5j h SER 253 N 0.76 0.56 -0.07 6.45 0.87 -0.59 -2.82 113.55 118.71 3i5j h SER 253 Ca 0.18 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3i5j h SER 253 Cb 0.22 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3i5j h SER 253 CO -0.01 0.57 -0.03 1.56 -0.53 0.00 0.00 176.83 178.40 3i5j h GLN 254 N 0.51 0.27 -0.02 2.24 4.20 -0.87 -2.70 115.11 118.74 3i5j h GLN 254 Ca 0.13 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3i5j h GLN 254 Cb 0.19 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3i5j h GLN 254 CO -0.01 0.32 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.96 3i5j h LEU 255 N 0.26 0.04 -0.13 1.46 3.38 -0.39 -0.96 115.31 118.98 3i5j h LEU 255 Ca 0.06 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3i5j h LEU 255 Cb 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3i5j h LEU 255 CO 0.01 0.48 -0.03 0.11 0.09 0.00 0.00 178.44 179.10 3i5j h LYS 256 N 0.04 0.00 -0.30 1.13 1.57 -1.23 0.40 116.57 118.17 3i5j h LYS 256 Ca -0.00 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3i5j h LYS 256 Cb 0.80 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.05 3i5j h LYS 256 CO 0.06 0.00 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.40 3i5j h ASP 257 N 0.00 -0.37 -0.53 0.86 3.32 -1.37 -1.49 116.42 116.84 3i5j h ASP 257 Ca 0.06 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3i5j h ASP 257 Cb 0.09 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3i5j h ASP 257 CO -0.13 -0.14 0.23 0.00 -1.72 0.00 0.00 179.24 177.48 3i5j h ALA 258 N 1.24 1.32 0.00 3.45 0.00 -0.67 -1.34 119.26 123.26 3i5j h ALA 258 Ca 0.15 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3i5j h ALA 258 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i5j h ALA 258 CO -0.34 0.51 -0.29 0.93 0.00 0.00 0.00 179.25 180.06 3i5j h GLU 259 N 0.82 0.00 -0.33 0.00 4.39 -0.06 -1.34 114.58 118.07 3i5j h GLU 259 Ca 0.20 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.81 3i5j h GLU 259 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3i5j h GLU 259 CO -0.02 0.29 -0.12 -0.09 -1.16 0.00 0.00 179.01 177.92 3i5j h ARG 260 N 0.00 0.66 -0.60 2.33 2.43 -0.59 -2.08 114.38 116.53 3i5j h ARG 260 Ca -0.00 -0.27 0.03 0.00 -0.81 0.00 0.00 59.98 58.92 3i5j h ARG 260 Cb 1.03 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 3i5j h ARG 260 CO 0.04 0.85 0.37 0.45 -1.51 0.00 0.00 179.97 180.16 3i5j h HIS 261 N 0.43 0.68 -0.33 2.20 3.86 -1.04 -1.59 115.15 119.37 3i5j h HIS 261 Ca 0.08 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3i5j h HIS 261 Cb 0.63 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3i5j h HIS 261 CO 0.05 0.39 0.15 1.03 0.86 0.00 0.00 177.93 180.42 3i5j h SER 262 N 0.72 0.40 -0.08 2.45 0.87 -1.20 -1.62 113.55 115.09 3i5j h SER 262 Ca 0.24 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3i5j h SER 262 Cb 0.02 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3i5j h SER 262 CO -0.10 0.35 -0.03 0.03 -0.53 0.00 0.00 176.83 176.55 3i5j h ARG 263 N 0.45 0.17 -0.24 2.24 3.08 -0.58 -0.29 114.38 119.20 3i5j h ARG 263 Ca 0.12 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 3i5j h ARG 263 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3i5j h ARG 263 CO -0.02 0.50 -0.44 0.11 -1.07 0.00 0.00 179.97 179.05 3i5j h TRP 264 N -0.18 0.74 -0.53 3.04 5.08 -1.23 -1.98 115.95 120.90 3i5j h TRP 264 Ca 0.02 -0.23 0.09 0.00 1.08 0.00 0.00 58.89 59.85 3i5j h TRP 264 Cb 0.44 -0.15 -0.07 0.00 -3.00 0.00 0.00 29.16 26.38 3i5j h TRP 264 CO 0.06 0.95 0.14 0.77 -1.28 0.00 0.00 178.44 179.08 3i5j h SER 265 N 0.50 0.08 -0.32 0.11 0.02 -1.06 0.15 113.55 113.04 3i5j h SER 265 Ca 0.03 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 3i5j h SER 265 Cb 0.97 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3i5j h SER 265 CO 0.09 0.07 -0.25 0.11 -1.14 0.00 0.00 176.83 175.70 3i5j h LYS 266 N 0.29 0.82 -0.32 3.45 1.79 -0.91 0.93 116.57 122.62 3i5j h LYS 266 Ca 0.27 -0.35 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 3i5j h LYS 266 Cb 0.34 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 3i5j h LYS 266 CO -0.31 0.98 -0.07 0.00 -1.08 0.00 0.00 179.45 178.96 3i5j h ALA 267 N 1.01 1.27 -0.27 3.86 0.00 -0.82 0.30 119.26 124.61 3i5j h ALA 267 Ca 0.09 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3i5j h ALA 267 Cb 0.78 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3i5j h ALA 267 CO 0.06 0.48 -0.33 1.25 0.00 0.00 0.00 179.25 180.72 3i5j h LEU 268 N 0.50 0.76 -0.44 0.00 5.85 -0.11 -2.08 115.31 119.79 3i5j h LEU 268 Ca 0.10 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.41 3i5j h LEU 268 Cb 0.44 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 3i5j h LEU 268 CO 0.02 1.10 -0.03 0.58 -0.34 0.00 0.00 178.44 179.78 3i5j h VAL 269 N 0.44 0.63 -0.87 1.05 2.07 -0.58 0.01 116.25 119.00 3i5j h VAL 269 Ca 0.04 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.61 3i5j h VAL 269 Cb 0.91 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3i5j h VAL 269 CO 0.08 0.01 0.53 0.50 0.02 0.00 0.00 177.57 178.71 3i5j h LYS 270 N 0.08 0.89 -0.06 1.57 3.64 -0.81 -0.68 116.57 121.21 3i5j h LYS 270 Ca 0.22 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3i5j h LYS 270 Cb 0.32 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i5j h LYS 270 CO -0.39 0.59 0.02 1.25 -2.27 0.00 0.00 179.45 178.65 3i5j h HIS 271 N 0.91 0.09 -0.18 1.91 2.76 -0.90 -3.06 115.15 116.69 3i5j h HIS 271 Ca 0.41 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.56 3i5j h HIS 271 Cb 0.29 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3i5j h HIS 271 CO -0.04 0.27 0.09 0.00 -1.30 0.00 0.00 177.93 176.95 3i5j h ALA 272 N 0.81 1.83 0.00 5.26 0.00 -0.64 -2.51 119.26 124.02 3i5j h ALA 272 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i5j h ALA 272 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3i5j h ALA 272 CO -0.00 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.67 3i5j n LEU 273 N -4.49 0.00 0.09 0.00 4.77 -0.29 -1.65 117.00 115.43 3i5j n LEU 273 Ca -0.00 0.04 0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3i5j n LEU 273 Cb 0.10 -0.04 0.54 0.00 -2.33 0.00 0.00 43.42 41.69 3i5j n LEU 273 CO 0.35 -0.00 1.13 -0.33 -1.33 0.00 0.00 177.39 177.21 3i5j h GLU 274 N 0.00 0.26 -5.63 3.23 5.08 -1.47 -3.36 114.58 112.69 3i5j h GLU 274 Ca 0.00 -0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.72 3i5j h GLU 274 Cb 0.03 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.10 3i5j h GLU 274 CO 0.00 0.17 0.26 1.21 -1.00 0.00 0.00 179.01 179.65 3i5j s ASN 275 N -6.74 6.49 0.48 1.42 2.47 -0.66 -4.98 114.94 113.42 3i5j s ASN 275 Ca -0.07 0.24 0.19 0.00 0.42 0.00 0.00 52.86 53.64 3i5j s ASN 275 Cb 0.18 -2.36 1.19 0.00 -1.45 0.00 0.00 41.25 38.81 3i5j s ASN 275 CO 0.71 -0.67 1.99 -0.65 -3.72 0.00 0.00 177.10 174.77 3i5j h PRO 276 N 8.48 0.21 0.00 0.43 0.11 -1.85 -0.66 132.00 138.72 3i5j h PRO 276 Ca -0.25 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3i5j h PRO 276 Cb 1.10 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3i5j h PRO 276 CO 0.87 0.14 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.31 3i5j h ASP 277 N 0.22 0.00 1.21 -2.05 3.32 -1.93 -3.14 116.42 114.04 3i5j h ASP 277 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3i5j h ASP 277 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3i5j h ASP 277 CO -0.05 0.06 0.00 0.78 -1.72 0.00 0.00 179.24 178.31 3i5j h ASN 278 N 0.00 0.00 0.60 6.45 2.35 -1.38 -2.94 115.58 120.66 3i5j h ASN 278 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3i5j h ASN 278 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3i5j h ASN 278 CO 0.01 0.00 -0.34 -0.74 -1.65 0.00 0.00 177.43 174.71 3i5j h HIS 279 N 0.00 -0.88 -0.59 1.19 2.76 -1.72 -0.25 115.15 115.66 3i5j h HIS 279 Ca 0.00 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 3i5j h HIS 279 Cb 0.60 0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.84 3i5j h HIS 279 CO 0.00 -0.52 0.33 0.00 -1.30 0.00 0.00 177.93 176.44 3i5j h ALA 280 N -0.51 1.47 -0.15 5.26 0.00 -1.74 -0.94 119.26 122.65 3i5j h ALA 280 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3i5j h ALA 280 Cb 0.69 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i5j h ALA 280 CO 0.10 0.44 0.06 0.28 0.00 0.00 0.00 179.25 180.13 3i5j h VAL 281 N 0.81 1.16 -0.24 0.00 2.07 -1.40 -0.04 116.25 118.62 3i5j h VAL 281 Ca 0.21 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3i5j h VAL 281 Cb 0.01 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3i5j h VAL 281 CO -0.04 0.15 -0.17 0.40 0.02 0.00 0.00 177.57 177.94 3i5j h ILE 282 N 0.08 1.31 -0.56 4.57 2.04 -0.79 -2.27 117.51 121.90 3i5j h ILE 282 Ca 0.05 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 3i5j h ILE 282 Cb 0.19 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3i5j h ILE 282 CO -0.00 0.40 -0.01 -0.08 0.00 0.00 0.00 178.15 178.46 3i5j h GLU 283 N 0.24 0.96 -0.33 2.37 4.81 -1.16 0.15 114.58 121.62 3i5j h GLU 283 Ca 0.05 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 3i5j h GLU 283 Cb 0.70 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3i5j h GLU 283 CO 0.05 0.95 0.06 0.78 -0.73 0.00 0.00 179.01 180.12 3i5j h GLY 284 N 1.00 0.38 1.26 1.92 0.00 -0.87 -1.28 103.07 105.47 3i5j h GLY 284 Ca 0.16 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 3i5j h GLY 284 CO 0.03 -0.02 -0.08 1.49 0.00 0.00 0.00 176.54 177.95 3i5j h TRP 285 N 0.18 0.97 -0.82 5.60 6.55 -1.06 -1.85 115.95 125.52 3i5j h TRP 285 Ca 0.16 -0.18 -0.03 0.00 0.95 0.00 0.00 58.89 59.79 3i5j h TRP 285 Cb 0.17 -0.25 -0.04 0.00 -0.86 0.00 0.00 29.16 28.19 3i5j h TRP 285 CO -0.18 0.92 0.38 0.82 -1.05 0.00 0.00 178.44 179.32 3i5j h ILE 286 N 0.80 1.26 0.00 1.49 2.04 -0.38 -2.43 117.51 120.29 3i5j h ILE 286 Ca 0.14 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 3i5j h ILE 286 Cb 0.59 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3i5j h ILE 286 CO 0.04 0.31 -0.33 -0.33 0.00 0.00 0.00 178.15 177.84 3i5j h GLU 287 N 1.17 0.00 -0.35 2.37 4.39 -1.08 -1.55 114.58 119.53 3i5j h GLU 287 Ca 0.28 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.87 3i5j h GLU 287 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3i5j h GLU 287 CO -0.03 0.33 -0.22 -0.22 -1.16 0.00 0.00 179.01 177.71 3i5j h LYS 288 N 0.00 0.77 0.00 2.33 3.64 -0.90 -3.30 116.57 119.10 3i5j h LYS 288 Ca -0.00 -0.36 -0.10 0.00 -1.27 0.00 0.00 60.65 58.92 3i5j h LYS 288 Cb 0.59 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3i5j h LYS 288 CO 0.04 0.98 -1.30 0.91 -2.27 0.00 0.00 179.45 177.81 3i5j n TRP 289 N -4.26 0.91 -0.22 1.91 7.02 -0.96 -4.35 117.44 117.50 3i5j n TRP 289 Ca -0.02 0.29 -0.01 0.00 -1.02 0.00 0.00 57.50 56.74 3i5j n TRP 289 Cb 0.44 -1.01 0.11 0.00 -2.42 0.00 0.00 31.31 28.43 3i5j n TRP 289 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i5j h ARG 290 N 0.00 0.53 -0.52 -0.99 3.08 -1.36 -2.53 114.38 112.59 3i5j h ARG 290 Ca -0.10 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 3i5j h ARG 290 Cb 1.34 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 3i5j h ARG 290 CO 0.02 0.35 0.11 -1.35 -1.07 0.00 0.00 179.97 178.04 3i5j h PRO 291 N 0.55 0.81 -0.03 0.04 0.11 -1.76 0.17 132.00 131.89 3i5j h PRO 291 Ca 0.30 -0.17 0.02 0.00 0.11 0.00 0.00 66.00 66.26 3i5j h PRO 291 Cb 0.29 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3i5j h PRO 291 CO -0.24 0.74 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.14 3i5j h LEU 292 N 0.78 -0.25 -0.46 2.35 3.38 -1.74 -0.84 115.31 118.53 3i5j h LEU 292 Ca 0.17 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.25 3i5j h LEU 292 Cb 0.31 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3i5j h LEU 292 CO 0.00 -0.12 0.13 0.00 0.09 0.00 0.00 178.44 178.54 3i5j h ALA 293 N 0.88 0.53 -0.59 1.53 0.00 -1.05 0.30 119.26 120.87 3i5j h ALA 293 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i5j h ALA 293 Cb 0.19 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3i5j h ALA 293 CO -0.11 -0.27 0.33 -0.44 0.00 0.00 0.00 179.25 178.75 3i5j h ASP 294 N 0.28 0.73 -0.55 0.00 3.45 -0.47 -1.67 116.42 118.19 3i5j h ASP 294 Ca 0.22 -0.09 0.01 0.00 0.43 0.00 0.00 57.03 57.60 3i5j h ASP 294 Cb 0.25 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.81 3i5j h ASP 294 CO -0.26 0.61 0.36 0.03 -1.57 0.00 0.00 179.24 178.41 3i5j h ARG 295 N 0.79 0.71 0.04 3.56 3.08 -0.61 -0.35 114.38 121.60 3i5j h ARG 295 Ca 0.21 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.23 3i5j h ARG 295 Cb 0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3i5j h ARG 295 CO -0.03 0.47 -0.15 0.00 -1.07 0.00 0.00 179.97 179.18 3i5j h ALA 296 N 1.21 -0.22 -0.20 0.04 0.00 -0.68 -1.52 119.26 117.89 3i5j h ALA 296 Ca 0.20 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3i5j h ALA 296 Cb -0.07 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3i5j h ALA 296 CO -0.05 -0.66 -0.08 0.00 0.00 0.00 0.00 179.25 178.46 3i5j h ALA 297 N 0.62 0.10 -0.31 0.00 0.00 -1.14 -1.54 119.26 116.98 3i5j h ALA 297 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i5j h ALA 297 Cb 0.32 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3i5j h ALA 297 CO -0.12 -0.50 0.17 0.93 0.00 0.00 0.00 179.25 179.72 3i5j h GLU 298 N -0.05 0.44 -0.66 0.00 5.08 -0.81 -1.57 114.58 117.02 3i5j h GLU 298 Ca 0.10 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3i5j h GLU 298 Cb 0.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3i5j h GLU 298 CO -0.23 0.39 0.15 0.00 -1.00 0.00 0.00 179.01 178.32 3i5j h ALA 299 N 1.03 1.02 0.41 3.43 0.00 -1.22 -1.86 119.26 122.07 3i5j h ALA 299 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3i5j h ALA 299 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i5j h ALA 299 CO -0.02 0.64 -0.20 -0.92 0.00 0.00 0.00 179.25 178.75 3i5j h TYR 300 N 0.99 -0.51 -0.49 0.00 3.20 -0.95 -1.62 116.97 117.59 3i5j h TYR 300 Ca 0.21 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 3i5j h TYR 300 Cb 0.37 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3i5j h TYR 300 CO 0.03 -0.30 0.33 -0.07 -1.64 0.00 0.00 178.16 176.50 3i5j h LEU 301 N -0.59 0.44 -0.11 2.82 3.38 -1.22 0.35 115.31 120.39 3i5j h LEU 301 Ca -0.06 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 3i5j h LEU 301 Cb 0.44 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i5j h LEU 301 CO 0.09 0.30 -1.01 0.77 0.09 0.00 0.00 178.44 178.68 3i5j h SER 302 N 0.51 0.41 -0.47 -0.43 4.64 -1.19 0.28 113.55 117.31 3i5j h SER 302 Ca 0.20 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3i5j h SER 302 Cb 0.17 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3i5j h SER 302 CO -0.05 1.20 0.30 -0.03 -0.87 0.00 0.00 176.83 177.38 3i5j h MET 303 N 0.15 0.63 -0.43 4.77 1.85 -0.76 -2.80 114.93 118.34 3i5j h MET 303 Ca -0.08 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 58.92 3i5j h MET 303 Cb 1.68 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 33.55 3i5j h MET 303 CO 0.17 0.44 0.12 1.25 -0.40 0.00 0.00 176.91 178.49 3i5j h LEU 304 N 0.64 0.65 -2.05 3.39 5.85 -0.17 -3.14 115.31 120.47 3i5j h LEU 304 Ca 0.17 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3i5j h LEU 304 Cb -0.04 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3i5j h LEU 304 CO -0.03 0.70 0.00 -1.54 -0.34 0.00 0.00 178.44 177.22 3i5j n SER 305 N -4.54 3.00 0.00 1.25 3.41 0.99 -5.08 113.62 112.65 3i5j n SER 305 Ca 0.00 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 3i5j n SER 305 Cb 0.20 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3i5j n SER 305 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34