#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikm h PRO 60 N 0.00 0.68 0.00 0.00 0.13 -2.04 0.16 132.00 130.92 3ikm h PRO 60 Ca 0.00 -0.28 -0.12 0.00 -0.87 0.00 0.00 66.00 64.73 3ikm h PRO 60 Cb 0.00 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.09 3ikm h PRO 60 CO 0.00 0.87 -0.56 0.78 -0.23 0.00 0.00 178.00 178.86 3ikm h GLY 61 N 0.99 0.00 1.36 1.56 0.00 -2.04 0.13 103.07 105.07 3ikm h GLY 61 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.22 3ikm h GLY 61 CO 0.06 0.00 -0.64 1.48 0.00 0.00 0.00 176.54 177.44 3ikm h SER 62 N 0.00 0.75 -0.46 0.19 4.64 -1.82 -0.59 113.55 116.27 3ikm h SER 62 Ca -0.01 -0.44 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 3ikm h SER 62 Cb 1.05 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 3ikm h SER 62 CO 0.07 1.20 0.02 1.23 -0.87 0.00 0.00 176.83 178.48 3ikm h GLY 63 N 0.91 0.92 1.71 -0.77 0.00 -0.16 -2.26 103.07 103.43 3ikm h GLY 63 Ca -0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 3ikm h GLY 63 CO 0.13 0.57 -0.58 1.05 0.00 0.00 0.00 176.54 177.70 3ikm h GLU 64 N 0.80 0.30 -0.12 4.80 4.11 -0.49 -2.47 114.58 121.52 3ikm h GLU 64 Ca 0.16 -0.20 -0.12 0.00 0.07 0.00 0.00 59.36 59.27 3ikm h GLU 64 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3ikm h GLU 64 CO 0.02 0.79 -0.45 0.78 0.07 0.00 0.00 179.01 180.22 3ikm h GLY 65 N 1.37 0.31 0.64 1.06 0.00 -0.84 -2.53 103.07 103.08 3ikm h GLY 65 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3ikm h GLY 65 CO 0.09 0.28 -0.08 0.23 0.00 0.00 0.00 176.54 177.07 3ikm h SER 66 N 0.23 -0.18 -0.57 0.19 0.87 -1.26 -1.31 113.55 111.53 3ikm h SER 66 Ca 0.02 -0.27 0.11 0.00 -1.23 0.00 0.00 61.79 60.41 3ikm h SER 66 Cb 0.90 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.82 3ikm h SER 66 CO 0.07 0.19 0.09 -0.33 -0.53 0.00 0.00 176.83 176.33 3ikm h GLU 67 N -0.58 0.21 0.18 2.24 5.08 -1.44 0.99 114.58 121.26 3ikm h GLU 67 Ca -0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3ikm h GLU 67 Cb 0.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3ikm h GLU 67 CO 0.04 0.14 -0.26 0.00 -1.00 0.00 0.00 179.01 177.93 3ikm h ALA 68 N 1.47 -0.88 0.00 3.43 0.00 -1.39 3.43 119.26 125.31 3ikm h ALA 68 Ca 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ikm h ALA 68 Cb 0.44 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ikm h ALA 68 CO -0.41 -0.92 -0.00 1.25 0.00 0.00 0.00 179.25 179.17 3ikm h LEU 69 N -0.46 0.00 0.00 0.00 5.85 -0.19 0.19 115.31 120.70 3ikm h LEU 69 Ca -0.02 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.47 3ikm h LEU 69 Cb 0.42 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3ikm h LEU 69 CO -0.08 0.00 -1.58 -0.11 -0.34 0.00 0.00 178.44 176.34 3ikm n LEU 70 N -3.10 1.91 -0.29 2.25 -0.00 0.33 -3.65 117.00 114.45 3ikm n LEU 70 Ca -0.02 0.40 0.12 0.00 -0.00 0.00 0.00 56.01 56.51 3ikm n LEU 70 Cb 0.14 -0.83 0.27 0.00 -0.00 0.00 0.00 43.42 43.00 3ikm n LEU 70 CO 0.22 0.13 0.94 -0.08 -0.00 0.00 0.00 177.39 178.61 3ikm h GLU 71 N -1.00 0.22 0.00 1.96 4.22 0.65 1.76 114.58 122.38 3ikm h GLU 71 Ca -0.34 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.09 3ikm h GLU 71 Cb 1.23 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ikm h GLU 71 CO -0.21 0.14 -0.00 0.82 -2.18 0.00 0.00 179.01 177.59 3ikm h ILE 72 N 0.22 0.44 0.00 2.32 1.08 -0.69 -0.72 117.51 120.16 3ikm h ILE 72 Ca 0.53 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.00 3ikm h ILE 72 Cb 1.05 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 3ikm h ILE 72 CO -0.63 0.00 -0.91 0.00 -0.69 0.00 0.00 178.15 175.92 3ikm h GLN 74 N 0.00 0.00 -7.48 0.00 3.07 -0.22 0.43 115.11 110.91 3ikm h GLN 74 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.26 3ikm h GLN 74 Cb 0.78 0.00 0.11 0.00 0.08 0.00 0.00 27.48 28.44 3ikm h GLN 74 CO 0.00 0.75 0.36 0.50 0.09 0.00 0.00 178.83 180.53 3ikm s ARG 75 N -2.05 2.06 -1.55 0.06 3.52 -0.37 -3.40 118.95 117.20 3ikm s ARG 75 Ca -0.14 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 3ikm s ARG 75 Cb -0.02 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 3ikm s ARG 75 CO 0.52 -1.59 0.00 0.54 -0.81 0.00 0.00 175.30 173.95 3ikm n ARG 76 N -3.38 -1.68 -2.70 5.12 1.74 -1.25 -4.20 116.66 110.31 3ikm n ARG 76 Ca 0.07 0.87 -0.06 0.00 -0.77 0.00 0.00 57.85 57.96 3ikm n ARG 76 Cb 0.58 -5.34 0.00 0.00 -1.02 0.00 0.00 32.46 26.68 3ikm n ARG 76 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3ikm n HIS 77 N -2.90 -0.46 -0.01 -1.55 8.25 -1.22 -4.87 115.22 112.47 3ikm n HIS 77 Ca -0.18 0.19 0.02 0.00 -0.26 0.00 0.00 57.72 57.49 3ikm n HIS 77 Cb 0.59 -0.60 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 3ikm n HIS 77 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ikm n PHE 78 N -0.91 0.00 -3.89 4.41 7.35 0.61 -3.16 117.46 121.87 3ikm n PHE 78 Ca -0.07 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.32 3ikm n PHE 78 Cb 0.16 -0.16 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 3ikm n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3ikm s LEU 79 N -3.58 3.71 0.26 -2.13 2.01 0.12 -0.28 118.68 118.80 3ikm s LEU 79 Ca -0.02 -2.07 -0.11 0.00 0.01 0.00 0.00 54.13 51.94 3ikm s LEU 79 Cb 0.04 -1.32 0.39 0.00 0.01 0.00 0.00 46.19 45.31 3ikm s LEU 79 CO 0.25 -0.37 1.56 0.28 1.01 0.00 0.00 176.35 179.08 3ikm h SER 80 N 7.63 -1.02 -3.67 2.29 0.02 -0.80 -3.42 113.55 114.59 3ikm h SER 80 Ca -0.07 0.29 -0.50 0.00 -0.84 0.00 0.00 61.79 60.67 3ikm h SER 80 Cb 1.00 0.63 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3ikm h SER 80 CO 0.51 -0.31 0.10 -0.83 -1.14 0.00 0.00 176.83 175.16 3ikm s GLY 81 N -4.04 1.97 0.25 -3.77 0.00 -1.23 -4.78 107.32 95.71 3ikm s GLY 81 Ca -0.15 -0.21 0.11 0.00 0.00 0.00 0.00 44.72 44.47 3ikm s GLY 81 CO 0.76 -0.02 -0.19 -0.45 0.00 0.00 0.00 173.10 173.20 3ikm s SER 82 N -3.10 3.29 0.00 1.64 0.15 -1.26 -4.74 113.70 109.68 3ikm s SER 82 Ca 0.51 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 56.16 3ikm s SER 82 Cb -0.10 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 3ikm s SER 82 CO 0.30 -0.00 0.00 0.29 1.20 0.00 0.00 173.24 175.03 3ikm n LYS 83 N -0.40 0.00 0.08 5.44 5.02 -1.26 -4.77 118.16 122.27 3ikm n LYS 83 Ca -0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 3ikm n LYS 83 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.47 3ikm n LYS 83 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3ikm h GLN 84 N 0.00 0.18 0.00 1.97 5.75 -1.97 -3.12 115.11 117.92 3ikm h GLN 84 Ca 0.00 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 3ikm h GLN 84 Cb 0.00 0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3ikm h GLN 84 CO 0.00 1.11 0.04 1.04 -2.65 0.00 0.00 178.83 178.37 3ikm n GLN 85 N -3.45 0.00 -0.09 1.69 1.13 -1.26 -1.24 117.38 114.16 3ikm n GLN 85 Ca -0.08 0.47 -0.10 0.00 -1.94 0.00 0.00 57.00 55.35 3ikm n GLN 85 Cb 1.01 -1.55 -0.14 0.00 0.11 0.00 0.00 30.24 29.67 3ikm n GLN 85 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3ikm n LEU 86 N -1.49 0.35 -2.54 1.08 4.32 -1.18 -2.55 117.00 114.99 3ikm n LEU 86 Ca -0.00 -0.01 -0.23 0.00 -0.02 0.00 0.00 56.01 55.74 3ikm n LEU 86 Cb 0.04 0.30 0.02 0.00 -1.62 0.00 0.00 43.42 42.16 3ikm n LEU 86 CO 0.00 0.50 -0.67 -1.20 -1.22 0.00 0.00 177.39 174.80 3ikm n SER 87 N -2.73 -3.21 -0.28 -1.43 7.64 -0.38 -3.00 113.62 110.23 3ikm n SER 87 Ca -0.31 0.22 -0.11 0.00 1.01 0.00 0.00 58.87 59.69 3ikm n SER 87 Cb 1.07 -0.49 -0.09 0.00 -1.01 0.00 0.00 64.21 63.69 3ikm n SER 87 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3ikm h ARG 88 N -0.39 -0.13 -0.32 1.43 2.43 -1.96 1.84 114.38 117.28 3ikm h ARG 88 Ca -0.27 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3ikm h ARG 88 Cb 0.84 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.34 3ikm h ARG 88 CO 0.19 -0.09 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.70 3ikm h ASP 89 N -0.14 -1.36 0.01 -3.80 5.19 -1.94 0.83 116.42 115.20 3ikm h ASP 89 Ca 0.12 0.20 -0.09 0.00 -0.62 0.00 0.00 57.03 56.64 3ikm h ASP 89 Cb 0.44 0.59 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 3ikm h ASP 89 CO -0.73 -0.38 -0.25 0.77 -3.12 0.00 0.00 179.24 175.53 3ikm h SER 90 N -0.37 0.39 0.36 6.45 4.64 -1.53 -2.16 113.55 121.33 3ikm h SER 90 Ca 0.12 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3ikm h SER 90 Cb 0.59 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3ikm h SER 90 CO -0.51 0.64 -0.24 0.25 -0.87 0.00 0.00 176.83 176.10 3ikm h LEU 91 N 0.35 -0.60 -1.67 5.97 5.85 0.38 0.95 115.31 126.54 3ikm h LEU 91 Ca 0.05 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3ikm h LEU 91 Cb 0.62 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3ikm h LEU 91 CO 0.04 -0.37 0.27 -0.07 -0.34 0.00 0.00 178.44 177.97 3ikm h LEU 92 N -0.58 0.37 0.48 2.25 3.38 -0.74 -3.15 115.31 117.31 3ikm h LEU 92 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3ikm h LEU 92 Cb 0.49 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ikm h LEU 92 CO 0.03 0.26 -0.23 0.77 0.09 0.00 0.00 178.44 179.36 3ikm h SER 93 N 0.43 -0.54 0.00 -0.43 4.64 -0.69 -3.49 113.55 113.47 3ikm h SER 93 Ca 0.16 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3ikm h SER 93 Cb 0.10 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3ikm h SER 93 CO -0.04 -0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.41 3ikm n GLY 94 N 0.16 -0.10 0.42 -0.77 0.00 0.26 -4.32 105.19 100.83 3ikm n GLY 94 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3ikm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm s HIS 96 N -1.16 3.49 0.07 0.00 -0.00 -1.06 -4.55 115.29 112.08 3ikm s HIS 96 Ca 0.00 0.82 0.13 0.00 -0.00 0.00 0.00 55.06 56.00 3ikm s HIS 96 Cb 0.00 -2.26 0.18 0.00 -0.00 0.00 0.00 32.58 30.50 3ikm s HIS 96 CO 0.00 -0.01 1.49 -1.35 -0.00 0.00 0.00 174.74 174.87 3ikm h PRO 97 N 1.24 0.00 0.00 -0.38 0.11 -1.87 -3.48 132.00 127.63 3ikm h PRO 97 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ikm h PRO 97 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ikm h PRO 97 CO 0.64 0.64 0.00 0.41 -0.21 0.00 0.00 178.00 179.48 3ikm n GLY 98 N 0.87 0.13 3.22 -0.55 0.00 -1.26 -4.56 105.19 103.04 3ikm n GLY 98 Ca 0.00 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 3ikm n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ikm s PHE 99 N -3.65 1.37 1.21 1.61 2.99 -1.26 -0.37 117.98 119.88 3ikm s PHE 99 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 56.93 56.23 3ikm s PHE 99 Cb 0.00 -0.74 0.31 0.00 0.00 0.00 0.00 43.02 42.59 3ikm s PHE 99 CO 0.00 0.11 0.84 0.41 -0.00 0.00 0.00 175.22 176.58 3ikm n GLY 100 N 0.93 -3.47 0.26 4.36 0.00 0.62 -3.80 105.19 104.08 3ikm n GLY 100 Ca -0.18 -1.36 0.02 0.00 0.00 0.00 0.00 46.02 44.49 3ikm n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ikm h PRO 101 N 0.00 0.35 -0.26 1.61 0.11 -1.89 0.31 132.00 132.23 3ikm h PRO 101 Ca -0.35 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.71 3ikm h PRO 101 Cb 1.14 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3ikm h PRO 101 CO 0.22 0.42 0.11 1.25 -0.21 0.00 0.00 178.00 179.79 3ikm h LEU 102 N 0.34 0.15 -0.29 2.35 6.46 -1.88 -1.76 115.31 120.69 3ikm h LEU 102 Ca 0.07 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.89 3ikm h LEU 102 Cb 0.31 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.16 3ikm h LEU 102 CO 0.01 0.12 -0.54 1.23 -0.62 0.00 0.00 178.44 178.64 3ikm h GLY 103 N 0.25 -1.06 0.29 3.75 0.00 -0.51 -1.93 103.07 103.86 3ikm h GLY 103 Ca 0.11 0.71 0.03 0.00 0.00 0.00 0.00 47.33 48.18 3ikm h GLY 103 CO -0.09 -0.16 -0.35 -2.08 0.00 0.00 0.00 176.54 173.86 3ikm h VAL 104 N -0.47 0.26 -0.67 4.60 2.07 -1.09 -2.11 116.25 118.84 3ikm h VAL 104 Ca 0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 3ikm h VAL 104 Cb 0.62 0.26 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 3ikm h VAL 104 CO -0.52 0.00 0.04 -0.33 0.02 0.00 0.00 177.57 176.78 3ikm h GLU 105 N -0.52 0.14 0.29 1.57 4.39 -0.98 1.47 114.58 120.95 3ikm h GLU 105 Ca 0.05 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3ikm h GLU 105 Cb 0.59 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3ikm h GLU 105 CO -0.26 0.10 -0.14 1.25 -1.16 0.00 0.00 179.01 178.79 3ikm h LEU 106 N 0.15 -0.33 -1.00 1.33 5.85 -1.12 1.09 115.31 121.28 3ikm h LEU 106 Ca 0.36 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.39 3ikm h LEU 106 Cb 0.61 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.58 3ikm h LEU 106 CO -0.55 -0.22 0.56 -0.09 -0.34 0.00 0.00 178.44 177.79 3ikm h ARG 107 N -0.42 0.39 0.49 1.25 2.43 -0.85 1.11 114.38 118.78 3ikm h ARG 107 Ca -0.04 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3ikm h ARG 107 Cb 0.30 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3ikm h ARG 107 CO 0.07 0.26 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.33 3ikm h LYS 108 N 0.40 -0.63 -0.80 0.20 3.64 0.25 0.29 116.57 119.91 3ikm h LYS 108 Ca 0.70 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 60.32 3ikm h LYS 108 Cb 1.51 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 33.33 3ikm h LYS 108 CO -0.57 -0.39 0.08 -0.91 -2.27 0.00 0.00 179.45 175.40 3ikm h ASN 109 N -0.73 -0.23 0.00 4.20 2.35 0.90 0.93 115.58 122.99 3ikm h ASN 109 Ca -0.07 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3ikm h ASN 109 Cb 0.54 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.23 3ikm h ASN 109 CO 0.11 -0.17 0.00 -0.11 -1.65 0.00 0.00 177.43 175.61 3ikm n LEU 110 N -5.31 0.00 -0.32 1.61 7.94 0.24 0.20 117.00 121.37 3ikm n LEU 110 Ca 0.16 0.97 0.02 0.00 -1.11 0.00 0.00 56.01 56.05 3ikm n LEU 110 Cb 0.55 -0.47 0.08 0.00 0.53 0.00 0.00 43.42 44.11 3ikm n LEU 110 CO 0.05 -0.47 0.65 0.00 -1.11 0.00 0.00 177.39 176.51 3ikm h ALA 111 N -1.98 0.40 -0.26 1.96 0.00 -0.15 0.92 119.26 120.15 3ikm h ALA 111 Ca 0.00 0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.26 3ikm h ALA 111 Cb 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3ikm h ALA 111 CO 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 179.25 178.78 3ikm h ALA 112 N 1.64 0.24 -0.31 0.00 0.00 -0.71 0.76 119.26 120.90 3ikm h ALA 112 Ca 0.38 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 3ikm h ALA 112 Cb 0.62 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ikm h ALA 112 CO -0.90 -0.40 -0.39 1.49 0.00 0.00 0.00 179.25 179.05 3ikm h GLU 113 N 0.11 0.72 -0.01 0.00 4.57 0.76 -2.02 114.58 118.71 3ikm h GLU 113 Ca 0.12 -0.37 -0.23 0.00 -1.18 0.00 0.00 59.36 57.70 3ikm h GLU 113 Cb 0.14 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3ikm h GLU 113 CO -0.19 0.99 -0.95 2.35 -1.18 0.00 0.00 179.01 180.03 3ikm h TRP 114 N 0.59 0.68 -0.04 0.92 7.01 0.71 -3.28 115.95 122.54 3ikm h TRP 114 Ca 0.05 -0.37 0.01 0.00 2.11 0.00 0.00 58.89 60.70 3ikm h TRP 114 Cb 0.93 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.89 3ikm h TRP 114 CO 0.05 1.19 -0.05 2.35 -2.79 0.00 0.00 178.44 179.19 3ikm h TRP 115 N 0.26 -0.11 -0.63 2.65 2.91 0.66 -2.81 115.95 118.89 3ikm h TRP 115 Ca -0.08 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.07 3ikm h TRP 115 Cb 1.58 0.06 -0.11 0.00 -0.51 0.00 0.00 29.16 30.18 3ikm h TRP 115 CO 0.07 -0.07 -0.10 0.00 -1.03 0.00 0.00 178.44 177.30 3ikm h THR 116 N -0.06 0.41 -0.65 2.65 1.03 -1.43 0.11 112.91 114.96 3ikm h THR 116 Ca 0.03 -0.01 0.05 0.00 -0.01 0.00 0.00 66.41 66.47 3ikm h THR 116 Cb 0.11 0.37 -0.05 0.00 -1.07 0.00 0.00 68.15 67.51 3ikm h THR 116 CO -0.08 0.01 0.37 0.77 -0.01 0.00 0.00 175.52 176.58 3ikm h SER 117 N 0.04 0.57 -0.37 0.00 4.64 -1.63 -2.26 113.55 114.54 3ikm h SER 117 Ca 0.31 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.69 3ikm h SER 117 Cb 0.49 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 3ikm h SER 117 CO -0.61 0.38 0.16 1.62 -0.87 0.00 0.00 176.83 177.51 3ikm h VAL 118 N 0.71 0.94 -0.75 0.95 3.04 -0.61 -3.16 116.25 117.36 3ikm h VAL 118 Ca 0.28 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 65.83 3ikm h VAL 118 Cb 0.13 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 29.95 3ikm h VAL 118 CO -0.15 0.06 0.36 0.58 -1.01 0.00 0.00 177.57 177.40 3ikm h VAL 119 N 0.33 1.24 -0.72 1.51 2.07 -0.57 -3.40 116.25 116.71 3ikm h VAL 119 Ca 0.16 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.09 3ikm h VAL 119 Cb 0.11 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 30.07 3ikm h VAL 119 CO -0.14 0.29 -0.49 -0.37 0.02 0.00 0.00 177.57 176.87 3ikm h VAL 120 N 1.06 0.03 0.00 2.57 -1.51 -1.38 -3.44 116.25 113.59 3ikm h VAL 120 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 3ikm h VAL 120 Cb 0.12 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.32 3ikm h VAL 120 CO -0.03 0.00 0.00 0.33 -1.23 0.00 0.00 177.57 176.64 3ikm n PHE 121 N -5.37 0.00 -0.08 5.19 -0.00 -1.26 -4.85 117.46 111.09 3ikm n PHE 121 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 3ikm n PHE 121 Cb 0.33 -0.28 0.00 0.00 -0.00 0.00 0.00 39.48 39.53 3ikm n PHE 121 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3ikm n ARG 122 N -1.92 0.00 -4.03 -4.13 0.63 -1.26 -5.08 116.66 100.87 3ikm n ARG 122 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 3ikm n ARG 122 Cb 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 3ikm n ARG 122 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3ikm s GLU 123 N 0.00 0.38 0.00 -0.14 2.02 -1.26 -5.10 118.70 114.60 3ikm s GLU 123 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.95 3ikm s GLU 123 Cb 0.00 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.77 3ikm s GLU 123 CO 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 175.26 175.25 3ikm n GLN 124 N 3.64 0.00 0.00 1.61 0.00 -1.26 -4.71 117.38 116.65 3ikm n GLN 124 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.79 3ikm n GLN 124 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.78 3ikm n GLN 124 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3ikm n VAL 125 N 0.00 0.00 -4.10 -0.39 0.24 -1.05 -4.95 118.33 108.07 3ikm n VAL 125 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 3ikm n VAL 125 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 3ikm n VAL 125 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3ikm s PHE 126 N -2.22 0.58 -0.26 6.34 0.08 -1.08 -1.04 117.98 120.38 3ikm s PHE 126 Ca 0.00 -1.04 0.27 0.00 0.12 0.00 0.00 56.93 56.28 3ikm s PHE 126 Cb 0.00 -0.41 0.76 0.00 -0.57 0.00 0.00 43.02 42.80 3ikm s PHE 126 CO 0.00 -0.34 1.76 -1.00 -0.10 0.00 0.00 175.22 175.54 3ikm h PRO 127 N 3.12 0.00 0.00 0.24 0.13 -1.71 -3.30 132.00 130.48 3ikm h PRO 127 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3ikm h PRO 127 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3ikm h PRO 127 CO 0.66 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.71 3ikm n VAL 128 N -3.02 0.00 0.03 1.56 0.31 -1.26 -4.54 118.33 111.41 3ikm n VAL 128 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.17 3ikm n VAL 128 Cb 0.43 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.22 3ikm n VAL 128 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3ikm h ASP 129 N 0.00 0.40 -5.18 4.52 1.82 -1.98 -3.49 116.42 112.51 3ikm h ASP 129 Ca 0.00 -0.75 0.00 0.00 -0.39 0.00 0.00 57.03 55.90 3ikm h ASP 129 Cb 0.00 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 39.85 3ikm h ASP 129 CO 0.00 1.65 -1.12 0.00 -1.61 0.00 0.00 179.24 178.16 3ikm n ALA 130 N -2.84 -3.45 -4.02 -0.78 0.00 -1.26 -4.98 120.51 103.17 3ikm n ALA 130 Ca -0.25 0.88 -0.31 0.00 0.00 0.00 0.00 53.44 53.76 3ikm n ALA 130 Cb 1.05 -1.77 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 3ikm n ALA 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ikm s LEU 131 N -1.39 3.06 0.13 0.00 1.02 -1.26 -5.00 118.68 115.23 3ikm s LEU 131 Ca -0.06 -1.28 -0.22 0.00 0.02 0.00 0.00 54.13 52.58 3ikm s LEU 131 Cb 0.00 -1.40 -0.03 0.00 0.02 0.00 0.00 46.19 44.78 3ikm s LEU 131 CO 0.75 -0.20 1.17 1.41 0.02 0.00 0.00 176.35 179.50 3ikm n HIS 132 N 4.53 -0.30 -0.03 0.29 8.25 -1.26 -4.46 115.22 122.24 3ikm n HIS 132 Ca -0.13 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 3ikm n HIS 132 Cb 0.43 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.96 3ikm n HIS 132 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3ikm n HIS 133 N -4.97 0.00 -1.35 4.41 8.25 -1.26 -1.33 115.22 118.96 3ikm n HIS 133 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 3ikm n HIS 133 Cb 0.21 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 3ikm n HIS 133 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3ikm n LYS 134 N 14.00 -1.59 -1.62 -0.41 4.81 -1.26 -4.50 118.16 127.58 3ikm n LYS 134 Ca 0.00 0.92 -0.42 0.00 -0.87 0.00 0.00 58.31 57.94 3ikm n LYS 134 Cb 0.00 -5.26 0.01 0.00 0.02 0.00 0.00 35.03 29.80 3ikm n LYS 134 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3ikm n PRO 135 N -1.29 1.42 0.00 1.64 -0.04 -1.26 -4.91 135.00 130.57 3ikm n PRO 135 Ca -0.13 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3ikm n PRO 135 Cb 0.57 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3ikm n PRO 135 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikm n GLY 136 N 1.14 3.50 3.36 0.55 0.00 -1.26 -5.17 105.19 107.31 3ikm n GLY 136 Ca 0.09 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3ikm n GLY 136 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ikm s PRO 137 N -2.10 1.94 6.61 1.61 0.02 -1.26 -5.06 135.00 136.76 3ikm s PRO 137 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 61.00 59.99 3ikm s PRO 137 Cb 0.00 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3ikm s PRO 137 CO 0.00 0.53 0.00 1.28 -0.33 0.00 0.00 177.00 178.48 3ikm n LEU 138 N 1.90 0.00 -0.32 -5.54 7.99 -1.26 -4.67 117.00 115.10 3ikm n LEU 138 Ca -0.17 0.00 0.25 0.00 -0.01 0.00 0.00 56.01 56.08 3ikm n LEU 138 Cb 0.52 0.00 0.38 0.00 -0.11 0.00 0.00 43.42 44.21 3ikm n LEU 138 CO 0.24 0.00 0.72 0.18 -1.51 0.00 0.00 177.39 177.01 3ikm n LEU 139 N 0.00 0.00 0.04 2.23 4.77 -1.26 -3.70 117.00 119.08 3ikm n LEU 139 Ca 0.00 0.47 -0.02 0.00 -0.03 0.00 0.00 56.01 56.43 3ikm n LEU 139 Cb 0.00 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3ikm n LEU 139 CO 0.00 -0.47 0.12 1.55 -1.33 0.00 0.00 177.39 177.25 3ikm h PRO 140 N 0.00 -0.14 -6.31 3.23 0.13 -1.99 -3.46 132.00 123.47 3ikm h PRO 140 Ca 0.44 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.90 3ikm h PRO 140 Cb 1.81 0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.77 3ikm h PRO 140 CO -0.00 -0.09 -0.73 0.20 -0.23 0.00 0.00 178.00 177.14 3ikm s GLY 141 N -2.44 1.67 -0.45 1.56 0.00 -1.24 -5.09 107.32 101.32 3ikm s GLY 141 Ca -0.02 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.64 3ikm s GLY 141 CO 0.06 -0.84 0.27 0.99 0.00 0.00 0.00 173.10 173.58 3ikm s ASP 142 N -1.15 5.40 -0.03 1.64 1.11 -1.26 -4.72 116.67 117.65 3ikm s ASP 142 Ca 0.15 -2.07 -0.38 0.00 0.18 0.00 0.00 52.55 50.42 3ikm s ASP 142 Cb -0.11 -1.89 -0.17 0.00 1.07 0.00 0.00 42.92 41.82 3ikm s ASP 142 CO 0.04 -0.58 1.43 -0.24 1.18 0.00 0.00 175.17 177.01 3ikm n SER 143 N 4.59 1.68 -3.73 0.27 2.88 -1.26 -4.98 113.62 113.07 3ikm n SER 143 Ca -0.03 1.11 -0.22 0.00 -1.33 0.00 0.00 58.87 58.40 3ikm n SER 143 Cb 0.41 -1.14 -0.18 0.00 -0.75 0.00 0.00 64.21 62.55 3ikm n SER 143 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ikm s ALA 144 N 1.32 0.53 0.00 -1.46 0.00 -1.26 -5.01 121.76 115.88 3ikm s ALA 144 Ca 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3ikm s ALA 144 Cb -1.03 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3ikm s ALA 144 CO 0.54 -0.50 0.00 1.19 0.00 0.00 0.00 175.76 176.99 3ikm n PHE 145 N 5.21 0.00 0.00 0.00 3.01 -1.26 -5.01 117.46 119.40 3ikm n PHE 145 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3ikm n PHE 145 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 3ikm n PHE 145 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3ikm n ARG 146 N 0.00 0.00 0.00 -1.08 1.74 -1.26 -5.14 116.66 110.92 3ikm n ARG 146 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ikm n ARG 146 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3ikm n ARG 146 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ikm n SER 178 N 0.00 0.00 -2.77 0.55 7.64 -1.26 -5.06 113.62 112.73 3ikm n SER 178 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 3ikm n SER 178 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 3ikm n SER 178 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ikm n GLY 179 N 0.00 0.36 2.48 0.23 0.00 -1.26 -5.09 105.19 101.90 3ikm n GLY 179 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 3ikm n GLY 179 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ikm n LYS 180 N -0.57 0.76 -3.77 1.61 3.00 -1.26 -5.06 118.16 112.86 3ikm n LYS 180 Ca 0.03 -3.56 -0.13 0.00 -0.00 0.00 0.00 58.31 54.65 3ikm n LYS 180 Cb 0.36 -1.77 -0.14 0.00 0.00 0.00 0.00 35.03 33.47 3ikm n LYS 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3ikm s LEU 181 N -0.60 0.94 0.08 3.14 1.43 -1.26 -4.65 118.68 117.77 3ikm s LEU 181 Ca 0.32 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 3ikm s LEU 181 Cb 0.05 0.34 -0.07 0.00 0.03 0.00 0.00 46.19 46.54 3ikm s LEU 181 CO -0.17 -0.12 0.23 0.54 0.23 0.00 0.00 176.35 177.06 3ikm n ARG 182 N 3.92 0.00 0.00 1.70 1.74 -0.44 -4.55 116.66 119.03 3ikm n ARG 182 Ca -0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 3ikm n ARG 182 Cb 0.53 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 3ikm n ARG 182 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ikm n GLU 183 N 0.43 1.64 -3.38 5.56 -0.58 -1.26 -3.13 120.64 119.93 3ikm n GLU 183 Ca 0.08 -0.19 -0.21 0.00 -0.42 0.00 0.00 57.16 56.42 3ikm n GLU 183 Cb 0.11 -0.62 -0.09 0.00 -0.57 0.00 0.00 31.44 30.27 3ikm n GLU 183 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3ikm s ASN 184 N -0.29 1.64 0.45 1.62 0.01 -1.26 -4.95 114.94 112.15 3ikm s ASN 184 Ca 0.00 -1.84 0.22 0.00 -0.71 0.00 0.00 52.86 50.52 3ikm s ASN 184 Cb 0.00 0.27 1.20 0.00 0.41 0.00 0.00 41.25 43.12 3ikm s ASN 184 CO 0.00 -0.26 1.86 -0.07 -1.51 0.00 0.00 177.10 177.11 3ikm h LEU 185 N 6.92 0.30 -0.54 0.60 3.38 -1.97 0.19 115.31 124.19 3ikm h LEU 185 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ikm h LEU 185 Cb 1.02 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3ikm h LEU 185 CO 0.22 0.11 0.35 0.25 0.09 0.00 0.00 178.44 179.46 3ikm h LEU 186 N 0.29 0.62 -0.18 1.67 6.46 -1.92 -2.76 115.31 119.50 3ikm h LEU 186 Ca 0.47 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.22 3ikm h LEU 186 Cb 1.35 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 41.09 3ikm h LEU 186 CO -0.14 0.46 -0.18 -0.74 -0.62 0.00 0.00 178.44 177.22 3ikm h HIS 187 N 0.73 -0.57 -0.83 1.25 2.76 -1.02 0.25 115.15 117.72 3ikm h HIS 187 Ca 0.20 0.03 0.18 0.00 -2.20 0.00 0.00 60.37 58.58 3ikm h HIS 187 Cb -0.07 0.27 -0.15 0.00 1.55 0.00 0.00 27.41 29.00 3ikm h HIS 187 CO -0.04 -0.15 -0.14 0.78 -1.30 0.00 0.00 177.93 177.09 3ikm h GLY 188 N -0.10 0.72 -0.99 5.26 0.00 -1.57 0.74 103.07 107.13 3ikm h GLY 188 Ca 0.03 0.22 0.36 0.00 0.00 0.00 0.00 47.33 47.95 3ikm h GLY 188 CO -0.22 -0.33 1.14 0.00 0.00 0.00 0.00 176.54 177.13 3ikm h ALA 189 N 1.82 3.16 0.01 3.60 0.00 -0.22 -1.60 119.26 126.03 3ikm h ALA 189 Ca 0.42 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3ikm h ALA 189 Cb 0.70 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3ikm h ALA 189 CO -0.82 -1.79 -0.23 -0.07 0.00 0.00 0.00 179.25 176.34 3ikm h LEU 190 N 0.00 0.18 -0.28 0.00 3.38 0.10 -2.70 115.31 115.98 3ikm h LEU 190 Ca 0.60 -0.84 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3ikm h LEU 190 Cb 2.87 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 43.49 3ikm h LEU 190 CO -0.01 0.99 -0.24 -0.08 0.09 0.00 0.00 178.44 179.20 3ikm h GLU 191 N -0.62 -0.21 -0.04 1.13 4.57 -1.36 1.31 114.58 119.36 3ikm h GLU 191 Ca -0.03 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3ikm h GLU 191 Cb 1.04 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3ikm h GLU 191 CO 0.04 -0.14 0.25 0.45 -1.18 0.00 0.00 179.01 178.43 3ikm h HIS 192 N -0.22 0.00 -0.26 0.92 3.86 -1.63 -3.19 115.15 114.63 3ikm h HIS 192 Ca 0.15 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 3ikm h HIS 192 Cb 0.45 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.85 3ikm h HIS 192 CO -0.41 0.00 -0.55 -0.92 0.86 0.00 0.00 177.93 176.91 3ikm h TYR 193 N 0.00 -1.66 -0.52 2.45 3.20 0.21 0.11 116.97 120.75 3ikm h TYR 193 Ca 0.02 0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.03 3ikm h TYR 193 Cb 0.51 0.76 -0.06 0.00 1.54 0.00 0.00 36.73 39.48 3ikm h TYR 193 CO 0.00 -0.52 0.18 0.28 -1.64 0.00 0.00 178.16 176.46 3ikm h VAL 194 N -0.50 0.81 0.00 1.81 2.07 -1.66 0.62 116.25 119.40 3ikm h VAL 194 Ca 0.05 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3ikm h VAL 194 Cb 0.64 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3ikm h VAL 194 CO -0.51 0.06 -0.12 0.78 0.02 0.00 0.00 177.57 177.81 3ikm h ASN 195 N 0.35 0.00 -0.22 0.57 -0.26 -1.69 0.41 115.58 114.74 3ikm h ASN 195 Ca 0.25 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.88 3ikm h ASN 195 Cb 0.29 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 3ikm h ASN 195 CO -0.27 0.12 -0.25 0.00 -1.06 0.00 0.00 177.43 175.97 3ikm h LEU 197 N 0.60 0.82 -1.85 0.00 6.46 0.42 -0.12 115.31 121.64 3ikm h LEU 197 Ca 0.08 -0.34 0.16 0.00 -0.12 0.00 0.00 57.88 57.66 3ikm h LEU 197 Cb 0.74 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 3ikm h LEU 197 CO 0.06 0.97 0.45 -2.24 -0.62 0.00 0.00 178.44 177.05 3ikm h ASP 198 N 0.66 0.14 -4.02 1.25 3.04 -0.41 0.63 116.42 117.71 3ikm h ASP 198 Ca 0.12 0.01 -0.49 0.00 -3.24 0.00 0.00 57.03 53.42 3ikm h ASP 198 Cb 0.58 -0.02 0.05 0.00 -1.04 0.00 0.00 39.33 38.90 3ikm h ASP 198 CO 0.03 0.07 0.44 -0.22 -2.04 0.00 0.00 179.24 177.52 3ikm s LEU 199 N -8.94 3.95 0.00 0.15 1.98 -0.06 -2.82 118.68 112.94 3ikm s LEU 199 Ca -0.06 2.15 0.00 0.00 -2.89 0.00 0.00 54.13 53.33 3ikm s LEU 199 Cb 0.20 -4.36 0.00 0.00 0.66 0.00 0.00 46.19 42.69 3ikm s LEU 199 CO 0.75 -0.86 0.00 0.52 -1.89 0.00 0.00 176.35 174.86 3ikm n VAL 200 N -0.66 0.00 -1.06 1.68 0.31 -1.26 -2.77 118.33 114.57 3ikm n VAL 200 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3ikm n VAL 200 Cb 0.50 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 3ikm n VAL 200 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ikm n ASN 201 N -0.11 -1.51 0.00 4.52 4.13 -1.15 -2.68 115.26 118.46 3ikm n ASN 201 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3ikm n ASN 201 Cb 0.06 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 3ikm n ASN 201 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3ikm n LYS 202 N -1.93 0.00 -1.62 3.52 4.81 0.21 -4.94 118.16 118.22 3ikm n LYS 202 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 3ikm n LYS 202 Cb 0.17 -1.61 0.15 0.00 0.02 0.00 0.00 35.03 33.76 3ikm n LYS 202 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3ikm s ARG 203 N 0.00 0.82 -0.14 1.64 0.52 -1.09 -3.79 118.95 116.90 3ikm s ARG 203 Ca 0.00 0.05 -0.01 0.00 -0.52 0.00 0.00 55.73 55.25 3ikm s ARG 203 Cb 0.00 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.65 3ikm s ARG 203 CO 0.00 -2.37 0.03 1.28 0.02 0.00 0.00 175.30 174.26 3ikm n LEU 204 N -3.84 -5.76 -4.63 2.53 4.32 -1.26 -4.63 117.00 103.74 3ikm n LEU 204 Ca 0.10 1.07 -0.61 0.00 -0.02 0.00 0.00 56.01 56.55 3ikm n LEU 204 Cb 0.60 -2.47 -0.09 0.00 -1.62 0.00 0.00 43.42 39.83 3ikm n LEU 204 CO 0.53 -2.56 1.37 -2.65 -1.22 0.00 0.00 177.39 172.86 3ikm n PRO 205 N 1.22 0.53 -4.38 3.23 -0.02 -1.26 -4.87 135.00 129.44 3ikm n PRO 205 Ca -0.04 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.41 3ikm n PRO 205 Cb 0.27 -1.81 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 3ikm n PRO 205 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3ikm s TYR 206 N 4.08 1.72 -0.35 6.00 -0.85 -1.26 -4.98 117.35 121.71 3ikm s TYR 206 Ca 1.05 -1.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 3ikm s TYR 206 Cb -1.28 -0.91 0.09 0.00 0.38 0.00 0.00 41.96 40.25 3ikm s TYR 206 CO 0.71 -0.59 0.08 0.20 -1.52 0.00 0.00 175.55 174.43 3ikm s GLY 207 N -3.46 1.90 -0.55 5.49 0.00 -1.25 -2.72 107.32 106.73 3ikm s GLY 207 Ca 0.33 -2.35 -0.28 0.00 0.00 0.00 0.00 44.72 42.42 3ikm s GLY 207 CO 0.20 0.90 1.23 0.48 0.00 0.00 0.00 173.10 175.91 3ikm s LEU 208 N 1.05 3.48 0.21 0.66 0.05 -0.99 -2.54 118.68 120.61 3ikm s LEU 208 Ca 0.06 0.24 -0.21 0.00 0.05 0.00 0.00 54.13 54.26 3ikm s LEU 208 Cb -0.21 -3.24 0.07 0.00 -2.05 0.00 0.00 46.19 40.77 3ikm s LEU 208 CO -0.05 -1.47 0.99 0.00 -0.55 0.00 0.00 176.35 175.27 3ikm s ALA 209 N 5.05 -1.46 0.00 1.48 0.00 -0.21 -2.97 121.76 123.65 3ikm s ALA 209 Ca 0.46 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3ikm s ALA 209 Cb -0.08 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.78 3ikm s ALA 209 CO 0.27 -1.05 0.00 0.94 0.00 0.00 0.00 175.76 175.92 3ikm n GLN 210 N -0.66 0.00 -4.27 0.00 0.00 -1.20 -2.63 117.38 108.63 3ikm n GLN 210 Ca -0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.76 3ikm n GLN 210 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.68 3ikm n GLN 210 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3ikm s ILE 211 N -2.76 0.63 0.11 1.69 1.01 -1.26 -3.05 121.20 117.57 3ikm s ILE 211 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 3ikm s ILE 211 Cb 0.00 -0.59 0.07 0.00 0.01 0.00 0.00 42.46 41.95 3ikm s ILE 211 CO 0.00 0.22 0.94 -0.83 0.00 0.00 0.00 174.94 175.27 3ikm s GLY 212 N 0.44 -0.30 0.24 6.18 0.00 -0.92 -4.98 107.32 107.99 3ikm s GLY 212 Ca -0.06 0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.72 3ikm s GLY 212 CO 0.00 0.09 0.95 0.14 0.00 0.00 0.00 173.10 174.28 3ikm s VAL 213 N -3.24 4.03 0.17 1.40 1.01 -1.26 0.20 120.40 122.70 3ikm s VAL 213 Ca 0.10 2.04 0.04 0.00 0.00 0.00 0.00 61.98 64.16 3ikm s VAL 213 Cb -0.01 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3ikm s VAL 213 CO -0.01 0.49 -0.06 0.00 0.00 0.00 0.00 175.10 175.51 3ikm s PHE 215 N -3.41 2.56 0.14 0.00 0.40 -1.18 -0.60 117.98 115.89 3ikm s PHE 215 Ca 0.20 -0.37 0.10 0.00 -0.60 0.00 0.00 56.93 56.25 3ikm s PHE 215 Cb 0.04 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 3ikm s PHE 215 CO 0.03 0.02 -0.20 -1.01 0.70 0.00 0.00 175.22 174.76 3ikm s HIS 216 N -0.51 2.46 0.11 0.36 3.76 0.21 -4.82 115.29 116.86 3ikm s HIS 216 Ca 0.07 -0.30 0.08 0.00 -0.15 0.00 0.00 55.06 54.76 3ikm s HIS 216 Cb -0.11 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.26 3ikm s HIS 216 CO 0.01 0.42 -0.16 -1.25 -0.85 0.00 0.00 174.74 172.91 3ikm s PRO 217 N -2.34 1.88 -0.32 8.40 0.04 -1.26 0.39 135.00 141.79 3ikm s PRO 217 Ca 0.19 -1.13 -0.01 0.00 0.04 0.00 0.00 61.00 60.09 3ikm s PRO 217 Cb -0.10 -2.16 0.07 0.00 0.04 0.00 0.00 34.50 32.35 3ikm s PRO 217 CO 0.10 0.49 0.03 0.54 0.04 0.00 0.00 177.00 178.20 3ikm s VAL 218 N -1.14 2.88 -0.60 -0.36 0.11 -1.26 -4.85 120.40 115.17 3ikm s VAL 218 Ca 0.18 -1.62 0.05 0.00 -2.93 0.00 0.00 61.98 57.66 3ikm s VAL 218 Cb -0.11 -2.76 0.17 0.00 -1.53 0.00 0.00 36.38 32.16 3ikm s VAL 218 CO 0.10 -0.24 0.44 -0.36 -3.33 0.00 0.00 175.10 171.71 3ikm s PHE 219 N 1.18 2.69 0.00 1.54 0.40 -1.26 -4.87 117.98 117.67 3ikm s PHE 219 Ca -0.02 -2.98 0.00 0.00 -0.60 0.00 0.00 56.93 53.33 3ikm s PHE 219 Cb -0.20 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.26 3ikm s PHE 219 CO -0.03 -0.64 0.49 -0.25 0.70 0.00 0.00 175.22 175.49 3ikm n ASP 220 N 2.27 0.00 -3.95 1.36 8.00 -1.26 -4.83 116.55 118.14 3ikm n ASP 220 Ca 0.23 0.49 -0.09 0.00 0.71 0.00 0.00 54.79 56.13 3ikm n ASP 220 Cb 0.40 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.42 3ikm n ASP 220 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ikm s THR 221 N -0.98 0.12 0.00 -3.53 2.01 -1.26 -5.17 115.64 106.84 3ikm s THR 221 Ca 0.00 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.60 3ikm s THR 221 Cb 0.00 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.91 3ikm s THR 221 CO 0.00 -0.55 0.00 2.29 -0.69 0.00 0.00 174.62 175.67 3ikm n LYS 222 N -0.09 1.83 0.00 4.92 2.85 -1.26 -4.91 118.16 121.49 3ikm n LYS 222 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 3ikm n LYS 222 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 3ikm n LYS 222 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3ikm n GLN 223 N -0.55 0.00 -1.43 -1.58 1.13 -1.26 -5.09 117.38 108.59 3ikm n GLN 223 Ca 0.00 0.00 -0.56 0.00 -1.94 0.00 0.00 57.00 54.50 3ikm n GLN 223 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.26 3ikm n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3ikm n ILE 224 N 0.00 0.12 -1.02 5.09 2.08 -1.26 -4.75 119.36 119.63 3ikm n ILE 224 Ca 0.00 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.20 3ikm n ILE 224 Cb 0.00 -1.07 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 3ikm n ILE 224 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3ikm n ARG 225 N 7.21 0.00 0.00 0.38 1.74 -1.26 -4.29 116.66 120.44 3ikm n ARG 225 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3ikm n ARG 225 Cb 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 3ikm n ARG 225 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3ikm n ASN 226 N 2.30 0.00 0.00 0.55 3.02 -1.26 -4.99 115.26 114.88 3ikm n ASN 226 Ca 0.00 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 3ikm n ASN 226 Cb 0.00 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3ikm n ASN 226 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ikm n GLY 227 N -0.99 3.50 4.33 7.41 0.00 -1.26 -5.02 105.19 113.16 3ikm n GLY 227 Ca 0.00 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 3ikm n GLY 227 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ikm n VAL 228 N -0.59 -0.88 -2.18 1.61 0.24 -1.26 -4.96 118.33 110.31 3ikm n VAL 228 Ca 0.00 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.34 61.89 3ikm n VAL 228 Cb 0.00 -1.23 0.16 0.00 -1.47 0.00 0.00 33.84 31.31 3ikm n VAL 228 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3ikm n LYS 229 N -4.31 -0.76 -0.19 7.34 5.02 -1.26 -4.70 118.16 119.31 3ikm n LYS 229 Ca -0.03 -2.24 0.01 0.00 -2.02 0.00 0.00 58.31 54.03 3ikm n LYS 229 Cb 0.54 -1.03 -0.01 0.00 -0.02 0.00 0.00 35.03 34.52 3ikm n LYS 229 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ikm n SER 230 N -3.44 -1.02 -3.63 4.39 7.64 -1.26 -4.79 113.62 111.51 3ikm n SER 230 Ca 0.16 0.21 -0.12 0.00 1.01 0.00 0.00 58.87 60.13 3ikm n SER 230 Cb 0.56 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 3ikm n SER 230 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ikm s ILE 231 N -3.62 0.00 0.35 0.44 -1.09 -1.26 -4.56 121.20 111.47 3ikm s ILE 231 Ca 0.00 0.00 0.09 0.00 -2.23 0.00 0.00 60.65 58.51 3ikm s ILE 231 Cb 0.00 -1.00 -0.06 0.00 -1.58 0.00 0.00 42.46 39.82 3ikm s ILE 231 CO 0.00 0.00 -0.02 -0.83 -1.23 0.00 0.00 174.94 172.86 3ikm s GLY 232 N 0.42 2.18 0.10 6.18 0.00 1.28 -4.54 107.32 112.94 3ikm s GLY 232 Ca 0.00 -2.06 0.03 0.00 0.00 0.00 0.00 44.72 42.70 3ikm s GLY 232 CO -0.03 -1.97 -0.09 -0.54 0.00 0.00 0.00 173.10 170.47 3ikm s GLU 233 N -3.69 0.83 -0.30 2.90 2.02 -1.26 0.64 118.70 119.85 3ikm s GLU 233 Ca 0.34 -1.21 -0.12 0.00 0.02 0.00 0.00 54.97 54.01 3ikm s GLU 233 Cb 0.02 -0.41 0.14 0.00 0.10 0.00 0.00 34.13 33.98 3ikm s GLU 233 CO 0.18 0.04 0.74 0.15 0.02 0.00 0.00 175.26 176.39 3ikm s LYS 234 N -3.12 0.51 -0.57 1.61 1.02 0.23 -4.76 119.74 114.67 3ikm s LYS 234 Ca 0.07 1.26 -0.28 0.00 0.02 0.00 0.00 55.97 57.05 3ikm s LYS 234 Cb -0.00 0.73 0.01 0.00 -0.52 0.00 0.00 37.83 38.05 3ikm s LYS 234 CO -0.01 -0.17 1.42 0.99 -0.92 0.00 0.00 175.35 176.65 3ikm s THR 235 N 2.71 3.78 0.53 2.17 2.01 -1.26 -1.50 115.64 124.08 3ikm s THR 235 Ca -0.05 0.66 0.03 0.00 0.31 0.00 0.00 61.69 62.63 3ikm s THR 235 Cb -0.10 -4.44 0.04 0.00 0.01 0.00 0.00 72.50 68.00 3ikm s THR 235 CO -0.19 -1.18 0.74 -1.61 -0.69 0.00 0.00 174.62 171.69 3ikm s GLU 236 N 5.54 2.53 -0.28 4.92 2.02 0.13 -4.25 118.70 129.31 3ikm s GLU 236 Ca 0.52 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.56 3ikm s GLU 236 Cb -0.11 -2.55 0.08 0.00 0.10 0.00 0.00 34.13 31.65 3ikm s GLU 236 CO 0.25 -0.67 -0.01 0.00 0.02 0.00 0.00 175.26 174.85 3ikm s ALA 237 N -2.68 2.32 -0.14 5.21 0.00 -1.26 -2.16 121.76 123.04 3ikm s ALA 237 Ca 0.58 -1.86 0.02 0.00 0.00 0.00 0.00 51.96 50.70 3ikm s ALA 237 Cb -0.10 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.37 3ikm s ALA 237 CO 0.37 -1.42 -0.21 -1.54 0.00 0.00 0.00 175.76 172.96 3ikm s SER 238 N 1.21 3.07 -0.14 0.00 1.04 -1.17 -3.62 113.70 114.09 3ikm s SER 238 Ca 0.01 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.86 3ikm s SER 238 Cb -0.19 -1.43 0.01 0.00 0.10 0.00 0.00 66.02 64.51 3ikm s SER 238 CO -0.09 0.07 -0.21 -0.22 0.98 0.00 0.00 173.24 173.76 3ikm s LEU 239 N 0.89 2.17 0.45 2.42 2.96 -1.26 -3.21 118.68 123.09 3ikm s LEU 239 Ca -0.05 -0.59 0.07 0.00 -0.22 0.00 0.00 54.13 53.34 3ikm s LEU 239 Cb -0.15 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 3ikm s LEU 239 CO -0.03 0.08 0.40 -0.69 -1.32 0.00 0.00 176.35 174.78 3ikm s VAL 240 N 0.84 2.46 -0.22 1.68 1.01 -1.16 -3.36 120.40 121.65 3ikm s VAL 240 Ca -0.06 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.46 3ikm s VAL 240 Cb -0.15 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.50 3ikm s VAL 240 CO -0.02 0.00 0.51 0.86 0.00 0.00 0.00 175.10 176.45 3ikm s TRP 241 N -2.54 -0.86 -0.70 5.22 -0.11 -1.26 -2.36 118.94 116.34 3ikm s TRP 241 Ca 0.47 1.68 -0.13 0.00 1.22 0.00 0.00 56.10 59.33 3ikm s TRP 241 Cb -0.03 0.43 0.18 0.00 -1.50 0.00 0.00 33.47 32.55 3ikm s TRP 241 CO 0.27 -0.46 0.63 -0.06 -4.62 0.00 0.00 176.95 172.71 3ikm s PHE 242 N 1.95 3.57 0.01 5.86 0.08 -1.10 -2.16 117.98 126.19 3ikm s PHE 242 Ca -0.07 -1.85 -0.05 0.00 0.12 0.00 0.00 56.93 55.08 3ikm s PHE 242 Cb -0.09 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.58 3ikm s PHE 242 CO -0.15 -0.99 0.24 0.95 -0.10 0.00 0.00 175.22 175.17 3ikm s THR 243 N 0.63 5.36 0.09 0.64 -4.23 -1.00 -4.21 115.64 112.92 3ikm s THR 243 Ca 0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 3ikm s THR 243 Cb -0.18 -3.56 0.02 0.00 1.34 0.00 0.00 72.50 70.13 3ikm s THR 243 CO -0.05 0.32 0.07 -2.65 -0.54 0.00 0.00 174.62 171.77 3ikm n PRO 244 N 0.95 -1.57 0.16 3.99 -0.02 -1.26 0.59 135.00 137.84 3ikm n PRO 244 Ca -0.10 -0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.31 3ikm n PRO 244 Cb 0.53 -0.12 0.15 0.00 -0.02 0.00 0.00 33.50 34.04 3ikm n PRO 244 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3ikm h PRO 245 N 0.00 0.00 0.08 0.52 0.13 -1.99 -3.22 132.00 127.52 3ikm h PRO 245 Ca -0.03 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.90 3ikm h PRO 245 Cb 0.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.21 3ikm h PRO 245 CO 0.02 0.43 -1.04 0.00 -0.23 0.00 0.00 178.00 177.18 3ikm h ARG 246 N 0.00 0.17 -0.82 0.86 -0.00 -2.02 -3.23 114.38 109.34 3ikm h ARG 246 Ca -0.00 -0.29 0.18 0.00 -0.50 0.00 0.00 59.98 59.37 3ikm h ARG 246 Cb 1.19 0.11 -0.15 0.00 0.00 0.00 0.00 29.97 31.11 3ikm h ARG 246 CO 0.06 1.14 -0.10 1.79 0.00 0.00 0.00 179.97 182.85 3ikm h THR 247 N -0.56 0.22 0.00 2.04 1.35 -1.92 -3.39 112.91 110.64 3ikm h THR 247 Ca -0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3ikm h THR 247 Cb 1.53 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3ikm h THR 247 CO 0.02 0.01 0.00 -0.24 -0.25 0.00 0.00 175.52 175.05 3ikm n SER 248 N -5.46 0.00 0.03 5.36 2.88 -1.21 0.27 113.62 115.49 3ikm n SER 248 Ca 0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.57 3ikm n SER 248 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 3ikm n SER 248 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3ikm h ASN 249 N 0.00 -0.40 -0.35 -3.46 2.35 -1.78 -2.31 115.58 109.63 3ikm h ASN 249 Ca 0.00 0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 3ikm h ASN 249 Cb 0.00 0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.48 3ikm h ASN 249 CO 0.00 -0.19 -0.14 -0.61 -1.65 0.00 0.00 177.43 174.85 3ikm h GLN 250 N -0.21 -0.07 -0.82 0.81 5.75 -1.65 0.25 115.11 119.18 3ikm h GLN 250 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3ikm h GLN 250 Cb 0.29 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 3ikm h GLN 250 CO -0.17 -0.04 0.52 -1.49 -2.65 0.00 0.00 178.83 175.00 3ikm h TRP 251 N -0.07 1.05 0.55 3.99 -0.00 0.40 0.92 115.95 122.80 3ikm h TRP 251 Ca 0.18 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.06 3ikm h TRP 251 Cb 0.34 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 29.14 3ikm h TRP 251 CO -0.36 0.67 -0.36 1.25 -0.00 0.00 0.00 178.44 179.64 3ikm h LEU 252 N 1.12 -0.91 -1.46 -4.49 6.46 -0.72 -2.26 115.31 113.04 3ikm h LEU 252 Ca 0.30 0.06 0.20 0.00 -0.12 0.00 0.00 57.88 58.32 3ikm h LEU 252 Cb -0.10 0.27 -0.07 0.00 -0.73 0.00 0.00 40.66 40.04 3ikm h LEU 252 CO -0.06 -0.55 0.60 0.44 -0.62 0.00 0.00 178.44 178.25 3ikm h ASP 253 N -0.87 0.44 -0.65 1.25 3.32 0.74 0.22 116.42 120.87 3ikm h ASP 253 Ca -0.06 0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.14 3ikm h ASP 253 Cb 0.71 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.15 3ikm h ASP 253 CO 0.05 0.17 0.24 0.15 -1.72 0.00 0.00 179.24 178.13 3ikm h PHE 254 N 0.44 0.40 0.88 4.55 3.57 -0.30 -0.74 116.94 125.75 3ikm h PHE 254 Ca 0.48 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.97 3ikm h PHE 254 Cb 1.15 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.81 3ikm h PHE 254 CO -0.00 0.08 -0.42 -1.49 -2.23 0.00 0.00 178.31 174.24 3ikm h TRP 255 N 0.40 -1.10 -0.19 0.41 4.06 -0.36 0.18 115.95 119.36 3ikm h TRP 255 Ca 0.34 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.28 3ikm h TRP 255 Cb 0.45 0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 3ikm h TRP 255 CO -0.18 -0.68 -0.11 1.28 -3.56 0.00 0.00 178.44 175.19 3ikm n LEU 256 N -5.60 -0.20 0.00 -4.49 4.32 -0.91 0.85 117.00 110.98 3ikm n LEU 256 Ca -0.16 0.90 0.00 0.00 -0.02 0.00 0.00 56.01 56.74 3ikm n LEU 256 Cb 0.47 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 3ikm n LEU 256 CO 0.40 -0.55 0.16 0.54 -1.22 0.00 0.00 177.39 176.71 3ikm n ARG 257 N -3.29 0.00 -0.30 3.23 1.74 -0.33 -2.00 116.66 115.71 3ikm n ARG 257 Ca 0.00 0.31 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 3ikm n ARG 257 Cb 0.05 -0.77 -0.00 0.00 -1.02 0.00 0.00 32.46 30.71 3ikm n ARG 257 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3ikm n HIS 258 N -0.65 -0.09 -0.10 -1.55 -0.00 0.83 -0.95 115.22 112.71 3ikm n HIS 258 Ca 0.00 0.93 -0.06 0.00 0.46 0.00 0.00 57.72 59.06 3ikm n HIS 258 Cb 0.00 -0.71 0.00 0.00 -0.12 0.00 0.00 29.99 29.16 3ikm n HIS 258 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3ikm h ARG 259 N 0.00 -0.03 -0.77 1.57 2.47 0.10 -2.51 114.38 115.21 3ikm h ARG 259 Ca 0.22 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 59.07 3ikm h ARG 259 Cb 0.41 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.64 3ikm h ARG 259 CO -0.74 -0.02 0.35 -0.07 0.56 0.00 0.00 179.97 180.06 3ikm h LEU 260 N -0.03 0.40 -0.74 3.04 3.38 -0.40 -1.43 115.31 119.52 3ikm h LEU 260 Ca 0.17 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 3ikm h LEU 260 Cb 0.29 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ikm h LEU 260 CO -0.37 0.17 -0.15 1.56 0.09 0.00 0.00 178.44 179.74 3ikm h GLN 261 N 0.53 0.80 -0.00 1.13 7.50 -1.45 -2.03 115.11 121.59 3ikm h GLN 261 Ca 0.42 -0.29 0.03 0.00 0.50 0.00 0.00 58.65 59.30 3ikm h GLN 261 Cb 0.58 -0.05 -0.06 0.00 0.05 0.00 0.00 27.48 28.00 3ikm h GLN 261 CO -0.36 0.91 -0.44 2.35 -1.50 0.00 0.00 178.83 179.79 3ikm h TRP 262 N 0.72 -1.26 0.02 2.96 7.01 -0.85 0.52 115.95 125.07 3ikm h TRP 262 Ca 0.11 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.18 3ikm h TRP 262 Cb 0.65 0.55 -0.03 0.00 -2.10 0.00 0.00 29.16 28.23 3ikm h TRP 262 CO 0.03 -0.51 -0.17 -1.49 -2.79 0.00 0.00 178.44 173.51 3ikm h TRP 263 N -0.59 -0.45 -0.59 2.65 4.06 -1.44 -0.56 115.95 119.03 3ikm h TRP 263 Ca 0.04 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.13 3ikm h TRP 263 Cb 0.67 0.20 -0.11 0.00 -1.00 0.00 0.00 29.16 28.92 3ikm h TRP 263 CO -0.44 -0.25 -0.11 0.00 -3.56 0.00 0.00 178.44 174.08 3ikm h ARG 264 N -0.30 0.03 -0.68 0.49 3.08 -0.87 0.36 114.38 116.50 3ikm h ARG 264 Ca 0.05 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.24 3ikm h ARG 264 Cb 0.35 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.28 3ikm h ARG 264 CO -0.15 0.02 0.05 -0.22 -1.07 0.00 0.00 179.97 178.60 3ikm h LYS 265 N 0.03 0.15 -0.48 0.04 3.64 0.15 0.81 116.57 120.91 3ikm h LYS 265 Ca 0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3ikm h LYS 265 Cb 0.46 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3ikm h LYS 265 CO -0.58 0.10 0.00 1.19 -2.27 0.00 0.00 179.45 177.89 3ikm n PHE 266 N -5.26 0.64 -4.23 1.91 3.72 0.33 -4.91 117.46 109.66 3ikm n PHE 266 Ca 0.12 -0.32 -0.34 0.00 -0.05 0.00 0.00 57.45 56.85 3ikm n PHE 266 Cb 0.41 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.83 3ikm n PHE 266 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ikm s ALA 267 N -1.36 3.00 -0.53 4.37 0.00 0.10 -4.72 121.76 122.63 3ikm s ALA 267 Ca 0.33 -0.92 0.21 0.00 0.00 0.00 0.00 51.96 51.58 3ikm s ALA 267 Cb 0.17 -1.65 0.92 0.00 0.00 0.00 0.00 23.12 22.56 3ikm s ALA 267 CO 0.23 0.02 1.64 -1.33 0.00 0.00 0.00 175.76 176.31 3ikm n MET 268 N 3.92 0.15 -2.71 0.00 2.81 -1.26 -3.83 117.12 116.20 3ikm n MET 268 Ca -0.17 0.44 -0.06 0.00 -1.81 0.00 0.00 57.70 56.09 3ikm n MET 268 Cb 0.52 -1.82 0.07 0.00 -0.71 0.00 0.00 33.22 31.28 3ikm n MET 268 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3ikm n SER 269 N -2.11 -2.06 0.00 7.83 7.64 -1.26 -5.01 113.62 118.64 3ikm n SER 269 Ca 0.02 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.25 3ikm n SER 269 Cb 0.18 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.75 3ikm n SER 269 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3ikm n PRO 270 N 1.29 0.00 0.33 1.43 -0.04 -1.25 -3.30 135.00 133.46 3ikm n PRO 270 Ca 0.04 0.41 0.21 0.00 -0.04 0.00 0.00 63.50 64.12 3ikm n PRO 270 Cb 0.68 -1.52 1.11 0.00 -0.04 0.00 0.00 33.50 33.73 3ikm n PRO 270 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3ikm h SER 271 N 0.00 0.00 -0.80 3.54 0.02 -1.96 -2.72 113.55 111.62 3ikm h SER 271 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 3ikm h SER 271 Cb 0.03 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.41 3ikm h SER 271 CO 0.00 0.00 0.41 0.59 -1.14 0.00 0.00 176.83 176.69 3ikm n ASN 272 N -3.00 6.49 -3.18 3.07 3.02 -1.21 -4.54 115.26 115.93 3ikm n ASN 272 Ca -0.03 -3.16 -0.16 0.00 -0.03 0.00 0.00 54.58 51.20 3ikm n ASN 272 Cb 0.14 -1.15 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 3ikm n ASN 272 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ikm s PHE 273 N -1.79 -0.20 0.00 3.10 0.08 -1.03 -2.27 117.98 115.88 3ikm s PHE 273 Ca 0.48 -1.33 0.00 0.00 0.12 0.00 0.00 56.93 56.20 3ikm s PHE 273 Cb 0.33 -0.36 0.00 0.00 -0.57 0.00 0.00 43.02 42.42 3ikm s PHE 273 CO -0.12 -1.02 0.00 0.45 -0.10 0.00 0.00 175.22 174.43 3ikm n SER 274 N 3.26 0.11 -3.47 1.36 2.88 -1.22 -4.95 113.62 111.58 3ikm n SER 274 Ca 0.21 -0.50 -0.13 0.00 -1.33 0.00 0.00 58.87 57.12 3ikm n SER 274 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 3ikm n SER 274 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3ikm s SER 275 N -0.95 -0.52 0.28 -3.46 1.04 -1.26 -3.30 113.70 105.53 3ikm s SER 275 Ca 0.00 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.51 3ikm s SER 275 Cb 0.00 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 3ikm s SER 275 CO 0.00 -0.89 0.24 -0.94 0.98 0.00 0.00 173.24 172.64 3ikm s SER 276 N -2.50 0.94 -0.34 7.02 1.04 -0.97 -4.96 113.70 113.93 3ikm s SER 276 Ca -0.01 -1.56 0.16 0.00 0.48 0.00 0.00 55.95 55.02 3ikm s SER 276 Cb -0.00 0.50 0.45 0.00 0.10 0.00 0.00 66.02 67.06 3ikm s SER 276 CO -0.09 -1.00 0.96 0.47 0.98 0.00 0.00 173.24 174.56 3ikm n ASP 277 N -0.98 1.89 -0.28 7.02 9.92 -1.26 -2.10 116.55 130.75 3ikm n ASP 277 Ca 0.04 -2.87 0.04 0.00 -0.53 0.00 0.00 54.79 51.47 3ikm n ASP 277 Cb 0.64 -0.52 0.17 0.00 -0.64 0.00 0.00 41.12 40.77 3ikm n ASP 277 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ikm s GLN 279 N -6.02 2.36 0.17 0.00 1.11 -1.26 -5.02 119.66 110.99 3ikm s GLN 279 Ca -0.12 -1.48 0.00 0.00 0.01 0.00 0.00 55.36 53.77 3ikm s GLN 279 Cb 0.20 -2.18 0.00 0.00 -1.01 0.00 0.00 33.01 30.02 3ikm s GLN 279 CO 0.77 0.23 0.00 -3.47 0.01 0.00 0.00 175.29 172.83 3ikm n ASP 280 N -1.04 -5.99 0.00 5.90 4.64 -1.26 -4.60 116.55 114.19 3ikm n ASP 280 Ca -0.05 0.75 0.06 0.00 -1.38 0.00 0.00 54.79 54.17 3ikm n ASP 280 Cb 0.60 -2.70 0.34 0.00 -1.04 0.00 0.00 41.12 38.32 3ikm n ASP 280 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 3ikm n GLU 281 N 0.47 0.96 -3.69 -0.67 0.00 -1.26 -4.29 120.64 112.15 3ikm n GLU 281 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 3ikm n GLU 281 Cb 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 31.44 30.17 3ikm n GLU 281 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3ikm s GLU 282 N -2.00 0.67 0.00 3.44 2.56 -1.26 -4.84 118.70 117.27 3ikm s GLU 282 Ca 0.17 0.38 0.00 0.00 0.00 0.00 0.00 54.97 55.51 3ikm s GLU 282 Cb 0.08 0.32 0.00 0.00 2.00 0.00 0.00 34.13 36.52 3ikm s GLU 282 CO 0.13 -0.14 0.00 0.41 -0.56 0.00 0.00 175.26 175.10 3ikm n GLY 283 N 2.11 2.55 7.00 -1.50 0.00 -1.26 -4.85 105.19 109.24 3ikm n GLY 283 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3ikm n GLY 283 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikm n ARG 284 N -2.00 0.00 0.00 1.61 1.74 -1.26 -4.40 116.66 112.34 3ikm n ARG 284 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ikm n ARG 284 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3ikm n ARG 284 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3ikm n LYS 285 N 13.94 3.64 0.00 5.56 -0.00 -1.26 -4.63 118.16 135.41 3ikm n LYS 285 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ikm n LYS 285 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3ikm n LYS 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ikm n GLY 286 N 4.56 3.09 3.96 2.58 0.00 -1.18 -1.27 105.19 116.93 3ikm n GLY 286 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3ikm n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikm s ASN 287 N 0.00 5.63 0.21 1.61 4.22 -1.18 -4.53 114.94 120.89 3ikm s ASN 287 Ca 0.00 0.22 -0.06 0.00 -2.14 0.00 0.00 52.86 50.89 3ikm s ASN 287 Cb 0.00 -1.34 -0.06 0.00 1.28 0.00 0.00 41.25 41.14 3ikm s ASN 287 CO 0.00 -0.87 0.47 -0.54 -2.04 0.00 0.00 177.10 174.12 3ikm s LYS 288 N -4.65 3.66 0.15 3.55 1.02 -0.89 -2.22 119.74 120.34 3ikm s LYS 288 Ca 0.52 -0.00 0.07 0.00 0.02 0.00 0.00 55.97 56.57 3ikm s LYS 288 Cb -0.10 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 3ikm s LYS 288 CO 0.39 0.36 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.63 3ikm s LEU 289 N -3.00 3.24 0.17 3.17 1.43 0.57 -2.29 118.68 121.97 3ikm s LEU 289 Ca 0.43 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 3ikm s LEU 289 Cb -0.11 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3ikm s LEU 289 CO 0.26 0.12 0.37 -0.31 0.23 0.00 0.00 176.35 177.02 3ikm s TYR 290 N -1.56 0.16 0.15 0.29 2.02 -1.21 -2.67 117.35 114.53 3ikm s TYR 290 Ca 0.26 -0.52 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 3ikm s TYR 290 Cb -0.10 0.13 -0.04 0.00 -0.40 0.00 0.00 41.96 41.55 3ikm s TYR 290 CO 0.17 -0.78 -0.19 -0.47 -1.57 0.00 0.00 175.55 172.71 3ikm s TYR 291 N -3.92 1.80 -0.89 2.71 5.04 -0.74 -3.46 117.35 117.90 3ikm s TYR 291 Ca 0.13 -0.46 -0.14 0.00 -2.44 0.00 0.00 57.07 54.16 3ikm s TYR 291 Cb 0.02 -0.92 0.22 0.00 0.35 0.00 0.00 41.96 41.63 3ikm s TYR 291 CO -0.02 0.30 0.87 -0.80 -1.34 0.00 0.00 175.55 174.55 3ikm s ASN 292 N -2.51 6.85 1.12 4.32 0.01 -0.96 -2.01 114.94 121.75 3ikm s ASN 292 Ca 0.14 -2.78 -0.16 0.00 -0.71 0.00 0.00 52.86 49.34 3ikm s ASN 292 Cb -0.06 -2.23 0.25 0.00 0.41 0.00 0.00 41.25 39.61 3ikm s ASN 292 CO 0.06 -0.57 1.10 -0.36 -1.51 0.00 0.00 177.10 175.81 3ikm s PHE 293 N 0.18 1.24 -2.00 2.20 0.08 -0.63 -4.80 117.98 114.24 3ikm s PHE 293 Ca 0.22 0.73 0.05 0.00 0.12 0.00 0.00 56.93 58.05 3ikm s PHE 293 Cb -0.09 -3.35 0.32 0.00 -0.57 0.00 0.00 43.02 39.32 3ikm s PHE 293 CO -0.09 -3.46 0.71 -2.30 -0.10 0.00 0.00 175.22 169.98 3ikm n PRO 294 N -4.52 0.24 -2.75 0.24 -0.02 -1.26 -2.60 135.00 124.33 3ikm n PRO 294 Ca 0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.54 3ikm n PRO 294 Cb 0.58 -1.34 0.06 0.00 -0.02 0.00 0.00 33.50 32.78 3ikm n PRO 294 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3ikm n TRP 295 N -0.84 0.42 0.00 6.00 2.14 -1.26 -4.99 117.44 118.90 3ikm n TRP 295 Ca 0.04 -2.23 0.00 0.00 2.07 0.00 0.00 57.50 57.38 3ikm n TRP 295 Cb 0.02 0.15 0.00 0.00 -0.81 0.00 0.00 31.31 30.67 3ikm n TRP 295 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3ikm n GLY 296 N -0.60 1.12 3.77 -1.67 0.00 -1.07 -5.04 105.19 101.69 3ikm n GLY 296 Ca 0.03 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 3ikm n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikm s LYS 297 N -1.72 2.60 -0.06 1.61 1.02 -1.25 -1.61 119.74 120.33 3ikm s LYS 297 Ca 0.00 1.33 -0.03 0.00 0.02 0.00 0.00 55.97 57.30 3ikm s LYS 297 Cb 0.00 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 3ikm s LYS 297 CO 0.00 -1.40 0.14 -2.00 -0.92 0.00 0.00 175.35 171.17 3ikm s GLU 298 N -4.34 0.07 0.21 1.68 -6.30 -0.85 -4.89 118.70 104.28 3ikm s GLU 298 Ca 0.65 0.37 0.08 0.00 -2.50 0.00 0.00 54.97 53.57 3ikm s GLU 298 Cb -0.20 -0.20 0.41 0.00 0.00 0.00 0.00 34.13 34.15 3ikm s GLU 298 CO 0.46 -0.18 1.08 1.28 0.02 0.00 0.00 175.26 177.92 3ikm n LEU 299 N 4.30 0.20 0.00 2.70 4.77 -1.25 -1.78 117.00 125.93 3ikm n LEU 299 Ca -0.25 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3ikm n LEU 299 Cb 0.51 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3ikm n LEU 299 CO 0.17 -0.50 0.00 -0.38 -1.33 0.00 0.00 177.39 175.35 3ikm n ILE 300 N -1.75 0.00 -2.45 -0.08 5.41 -1.09 -3.80 119.36 115.60 3ikm n ILE 300 Ca -0.01 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.45 3ikm n ILE 300 Cb 0.31 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.24 3ikm n ILE 300 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3ikm s GLU 301 N 0.00 3.62 0.19 0.38 2.02 -1.26 -4.61 118.70 119.05 3ikm s GLU 301 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.43 3ikm s GLU 301 Cb 0.00 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 3ikm s GLU 301 CO 0.00 -0.28 0.07 0.95 0.02 0.00 0.00 175.26 176.02 3ikm s THR 302 N -2.80 0.35 -0.20 3.63 -4.23 -1.25 -0.31 115.64 110.82 3ikm s THR 302 Ca 0.51 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 3ikm s THR 302 Cb -0.10 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.47 3ikm s THR 302 CO 0.44 -0.24 0.52 -0.76 -0.54 0.00 0.00 174.62 174.04 3ikm s LEU 303 N -3.17 -0.22 0.05 4.79 1.02 -0.94 -2.78 118.68 117.42 3ikm s LEU 303 Ca 0.31 1.10 -0.05 0.00 0.02 0.00 0.00 54.13 55.50 3ikm s LEU 303 Cb 0.07 1.77 -0.01 0.00 0.02 0.00 0.00 46.19 48.04 3ikm s LEU 303 CO 0.08 -0.20 0.09 0.26 0.02 0.00 0.00 176.35 176.60 3ikm s TRP 304 N 0.91 0.23 -0.61 0.29 0.52 -1.26 -3.10 118.94 115.92 3ikm s TRP 304 Ca -0.05 -0.57 0.04 0.00 0.02 0.00 0.00 56.10 55.53 3ikm s TRP 304 Cb -0.05 -0.16 0.36 0.00 -1.15 0.00 0.00 33.47 32.46 3ikm s TRP 304 CO -0.08 -0.39 1.13 -1.71 0.02 0.00 0.00 176.95 175.93 3ikm n ASN 305 N 0.60 5.00 -2.05 2.95 5.15 -0.39 -2.76 115.26 123.76 3ikm n ASN 305 Ca -0.18 -3.70 -0.08 0.00 -0.60 0.00 0.00 54.58 50.01 3ikm n ASN 305 Cb 0.59 -0.63 -0.12 0.00 -0.53 0.00 0.00 39.78 39.10 3ikm n ASN 305 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3ikm n LEU 306 N -0.29 4.13 -4.55 1.20 7.94 -1.26 -4.77 117.00 119.40 3ikm n LEU 306 Ca 0.36 -2.52 -0.63 0.00 -1.11 0.00 0.00 56.01 52.10 3ikm n LEU 306 Cb 0.43 -1.09 -0.10 0.00 0.53 0.00 0.00 43.42 43.19 3ikm n LEU 306 CO 0.37 1.18 1.41 0.61 -1.11 0.00 0.00 177.39 179.84 3ikm n GLY 307 N 2.49 0.13 3.84 -3.96 0.00 -1.26 -3.47 105.19 102.95 3ikm n GLY 307 Ca 0.30 1.04 -0.28 0.00 0.00 0.00 0.00 46.02 47.08 3ikm n GLY 307 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ikm n ASP 308 N 5.66 -4.74 0.00 1.61 10.43 -1.24 -4.70 116.55 123.57 3ikm n ASP 308 Ca 0.40 -1.02 0.00 0.00 2.57 0.00 0.00 54.79 56.74 3ikm n ASP 308 Cb -0.03 -1.69 0.00 0.00 1.84 0.00 0.00 41.12 41.25 3ikm n ASP 308 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 3ikm n HIS 309 N -3.04 0.00 -0.07 1.24 -0.00 -1.23 -4.80 115.22 107.32 3ikm n HIS 309 Ca -0.29 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.81 3ikm n HIS 309 Cb 0.67 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.39 3ikm n HIS 309 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3ikm n GLU 310 N -0.35 0.67 -0.11 1.57 4.71 -1.26 -2.91 120.64 122.96 3ikm n GLU 310 Ca 0.00 0.10 -0.10 0.00 -0.01 0.00 0.00 57.16 57.15 3ikm n GLU 310 Cb 0.00 -1.63 -0.02 0.00 -1.01 0.00 0.00 31.44 28.78 3ikm n GLU 310 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3ikm h LEU 311 N 0.00 0.49 0.00 -4.62 -0.00 -1.95 3.96 115.31 113.19 3ikm h LEU 311 Ca -0.43 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.24 3ikm h LEU 311 Cb 2.11 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.64 3ikm h LEU 311 CO 0.05 0.57 0.00 0.18 -0.00 0.00 0.00 178.44 179.23 3ikm n LEU 312 N -4.66 0.00 -0.22 1.67 4.77 -1.26 0.38 117.00 117.68 3ikm n LEU 312 Ca -0.02 0.93 -0.02 0.00 -0.03 0.00 0.00 56.01 56.88 3ikm n LEU 312 Cb 0.17 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3ikm n LEU 312 CO 0.37 -0.43 0.31 1.57 -1.33 0.00 0.00 177.39 177.88 3ikm n HIS 313 N -2.37 -0.04 0.22 -1.77 -0.00 -0.71 -0.07 115.22 110.48 3ikm n HIS 313 Ca 0.00 0.69 -0.15 0.00 0.46 0.00 0.00 57.72 58.72 3ikm n HIS 313 Cb 0.00 -0.68 -0.07 0.00 -0.12 0.00 0.00 29.99 29.12 3ikm n HIS 313 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 3ikm h MET 314 N 0.00 -0.67 -3.31 1.57 2.86 1.50 -3.39 114.93 113.49 3ikm h MET 314 Ca 0.17 0.05 -0.64 0.00 -2.06 0.00 0.00 59.70 57.22 3ikm h MET 314 Cb 0.31 0.15 -0.41 0.00 0.06 0.00 0.00 31.60 31.71 3ikm h MET 314 CO -0.55 -0.45 -0.63 0.71 1.06 0.00 0.00 176.91 177.06 3ikm s TYR 315 N -6.02 3.17 0.74 -0.22 2.02 1.22 -5.03 117.35 113.22 3ikm s TYR 315 Ca -0.17 -3.16 -0.17 0.00 -0.37 0.00 0.00 57.07 53.21 3ikm s TYR 315 Cb 0.06 -2.75 -0.09 0.00 -0.40 0.00 0.00 41.96 38.79 3ikm s TYR 315 CO 0.63 -0.71 0.06 -2.30 -1.57 0.00 0.00 175.55 171.66 3ikm n PRO 316 N 2.95 0.12 -4.17 -1.71 -0.02 -1.21 -4.71 135.00 126.26 3ikm n PRO 316 Ca 0.08 0.06 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 3ikm n PRO 316 Cb 0.33 -1.43 -0.10 0.00 -0.02 0.00 0.00 33.50 32.28 3ikm n PRO 316 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ikm s GLY 317 N -1.27 1.13 0.29 -1.23 0.00 -1.26 -4.52 107.32 100.46 3ikm s GLY 317 Ca 0.57 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3ikm s GLY 317 CO 0.66 -1.38 1.92 -0.57 0.00 0.00 0.00 173.10 173.73 3ikm h ASN 318 N 2.79 0.96 0.00 1.64 -1.24 -2.00 -3.35 115.58 114.38 3ikm h ASN 318 Ca -0.35 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.66 3ikm h ASN 318 Cb 1.21 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.06 3ikm h ASN 318 CO 0.57 0.64 0.00 0.52 -1.29 0.00 0.00 177.43 177.87 3ikm n VAL 319 N -4.47 0.00 -2.19 2.57 0.31 -1.26 -5.14 118.33 108.14 3ikm n VAL 319 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3ikm n VAL 319 Cb 0.15 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3ikm n VAL 319 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3ikm n SER 320 N 0.00 0.00 0.00 4.52 7.64 -1.26 -5.06 113.62 119.46 3ikm n SER 320 Ca 0.00 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.01 3ikm n SER 320 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3ikm n SER 320 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ikm n LYS 321 N -0.87 0.00 -3.66 1.43 5.02 -1.26 -4.67 118.16 114.15 3ikm n LYS 321 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3ikm n LYS 321 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3ikm n LYS 321 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3ikm s LEU 322 N 0.00 4.39 -0.15 -0.35 -0.00 -1.26 -5.00 118.68 116.31 3ikm s LEU 322 Ca 0.00 0.71 -0.16 0.00 -0.00 0.00 0.00 54.13 54.68 3ikm s LEU 322 Cb 0.00 -2.66 -0.13 0.00 -0.00 0.00 0.00 46.19 43.39 3ikm s LEU 322 CO 0.00 0.27 0.24 0.45 -0.00 0.00 0.00 176.35 177.31 3ikm h HIS 323 N 4.20 0.00 0.00 3.48 3.86 -1.83 -3.47 115.15 121.38 3ikm h HIS 323 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 3ikm h HIS 323 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 3ikm h HIS 323 CO 0.69 0.68 0.00 0.41 0.86 0.00 0.00 177.93 180.58 3ikm n GLY 324 N 1.61 3.75 3.86 2.45 0.00 -0.15 -3.49 105.19 113.22 3ikm n GLY 324 Ca -0.13 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 3ikm n GLY 324 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ikm s ARG 325 N -3.58 3.82 -0.25 1.61 1.70 -1.25 -1.00 118.95 120.01 3ikm s ARG 325 Ca 0.00 0.27 0.02 0.00 -0.47 0.00 0.00 55.73 55.54 3ikm s ARG 325 Cb 0.00 -2.90 -0.18 0.00 -0.57 0.00 0.00 34.95 31.30 3ikm s ARG 325 CO 0.00 0.48 -0.17 -0.40 -1.08 0.00 0.00 175.30 174.13 3ikm n ASP 326 N 0.62 1.95 0.00 -2.89 5.68 -1.21 -4.70 116.55 115.99 3ikm n ASP 326 Ca -0.05 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 3ikm n ASP 326 Cb 0.52 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3ikm n ASP 326 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ikm n GLY 327 N 2.22 0.38 0.43 6.12 0.00 -1.26 -4.89 105.19 108.18 3ikm n GLY 327 Ca -0.44 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3ikm n GLY 327 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ikm n ARG 328 N 0.00 0.00 -3.94 1.61 1.85 -1.26 -5.06 116.66 109.86 3ikm n ARG 328 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 3ikm n ARG 328 Cb 0.00 -0.60 -0.06 0.00 -1.05 0.00 0.00 32.46 30.75 3ikm n ARG 328 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3ikm n LYS 329 N -2.18 0.45 -4.40 2.89 4.76 -1.26 -5.18 118.16 113.24 3ikm n LYS 329 Ca 0.00 -2.85 -0.19 0.00 -2.87 0.00 0.00 58.31 52.40 3ikm n LYS 329 Cb 0.00 2.03 -0.15 0.00 -1.84 0.00 0.00 35.03 35.07 3ikm n LYS 329 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ikm s ASN 330 N -3.02 1.14 0.02 4.39 2.20 -1.26 -3.36 114.94 115.04 3ikm s ASN 330 Ca 0.27 -0.18 -0.19 0.00 -0.94 0.00 0.00 52.86 51.83 3ikm s ASN 330 Cb 0.01 -0.17 0.04 0.00 -2.00 0.00 0.00 41.25 39.13 3ikm s ASN 330 CO 0.19 0.11 0.41 -0.69 -2.94 0.00 0.00 177.10 174.18 3ikm s VAL 331 N -0.13 0.05 -0.22 3.54 1.01 -0.17 -4.94 120.40 119.54 3ikm s VAL 331 Ca 0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3ikm s VAL 331 Cb -0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3ikm s VAL 331 CO -0.00 -0.23 0.40 -0.69 0.00 0.00 0.00 175.10 174.58 3ikm s VAL 332 N -2.11 5.18 0.39 2.92 1.01 -1.24 -0.97 120.40 125.58 3ikm s VAL 332 Ca -0.08 0.70 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 3ikm s VAL 332 Cb -0.02 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 3ikm s VAL 332 CO 0.00 0.22 1.18 -0.81 0.00 0.00 0.00 175.10 175.70 3ikm n PRO 333 N 4.72 1.78 -1.96 2.72 -0.04 -1.23 -4.80 135.00 136.18 3ikm n PRO 333 Ca -0.08 0.63 -0.27 0.00 -0.04 0.00 0.00 63.50 63.74 3ikm n PRO 333 Cb 0.51 -2.23 0.18 0.00 -0.04 0.00 0.00 33.50 31.91 3ikm n PRO 333 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ikm s VAL 335 N -3.57 4.57 -0.06 0.00 0.11 -1.22 -2.37 120.40 117.86 3ikm s VAL 335 Ca 0.70 1.16 0.01 0.00 -2.93 0.00 0.00 61.98 60.92 3ikm s VAL 335 Cb -0.02 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.22 3ikm s VAL 335 CO 0.48 -0.20 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.79 3ikm s LEU 336 N -2.97 1.18 -0.10 2.54 0.20 -0.92 -4.56 118.68 114.07 3ikm s LEU 336 Ca 0.56 -0.14 -0.28 0.00 0.69 0.00 0.00 54.13 54.96 3ikm s LEU 336 Cb -0.10 -0.50 -0.02 0.00 -0.43 0.00 0.00 46.19 45.14 3ikm s LEU 336 CO 0.16 -0.08 0.92 -0.55 -0.29 0.00 0.00 176.35 176.51 3ikm s SER 337 N 1.18 7.16 0.15 3.68 0.15 -1.11 -4.37 113.70 120.53 3ikm s SER 337 Ca -0.07 1.41 0.08 0.00 0.70 0.00 0.00 55.95 58.07 3ikm s SER 337 Cb -0.14 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 3ikm s SER 337 CO -0.01 -0.36 -0.08 -0.69 1.20 0.00 0.00 173.24 173.29 3ikm s VAL 338 N 1.74 3.34 0.14 4.45 1.01 -1.21 -4.76 120.40 125.11 3ikm s VAL 338 Ca 0.45 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 3ikm s VAL 338 Cb -0.18 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 3ikm s VAL 338 CO 0.18 -0.02 1.16 0.20 0.00 0.00 0.00 175.10 176.62 3ikm s ASN 339 N -2.59 7.15 -0.96 3.32 0.01 -1.12 -3.88 114.94 116.87 3ikm s ASN 339 Ca 0.24 2.10 -0.07 0.00 -0.71 0.00 0.00 52.86 54.42 3ikm s ASN 339 Cb -0.10 -2.60 0.24 0.00 0.41 0.00 0.00 41.25 39.21 3ikm s ASN 339 CO 0.15 -0.35 0.90 -0.83 -1.51 0.00 0.00 177.10 175.46 3ikm s GLY 340 N 0.36 3.05 0.00 0.66 0.00 -1.25 -4.20 107.32 105.93 3ikm s GLY 340 Ca 0.53 -3.73 0.00 0.00 0.00 0.00 0.00 44.72 41.53 3ikm s GLY 340 CO 0.33 1.26 0.00 2.09 0.00 0.00 0.00 173.10 176.78 3ikm n ASP 341 N 2.81 0.00 0.00 1.64 5.68 -1.24 -4.76 116.55 120.68 3ikm n ASP 341 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 3ikm n ASP 341 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3ikm n ASP 341 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ikm n LEU 342 N 0.00 0.00 0.19 -2.12 -0.00 -1.26 -4.58 117.00 109.23 3ikm n LEU 342 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 3ikm n LEU 342 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 43.59 3ikm n LEU 342 CO 0.00 0.00 0.72 0.44 -0.00 0.00 0.00 177.39 178.55 3ikm h ASP 343 N 0.00 0.00 -0.74 1.45 5.19 -1.94 -3.35 116.42 117.03 3ikm h ASP 343 Ca 0.00 -0.00 0.27 0.00 -0.62 0.00 0.00 57.03 56.68 3ikm h ASP 343 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 3ikm h ASP 343 CO 0.00 0.00 0.25 0.54 -3.12 0.00 0.00 179.24 176.92 3ikm n ARG 344 N -2.95 -0.05 -0.24 3.56 1.74 -1.26 -0.13 116.66 117.33 3ikm n ARG 344 Ca 0.04 1.06 0.05 0.00 -0.77 0.00 0.00 57.85 58.22 3ikm n ARG 344 Cb 0.52 -1.81 0.16 0.00 -1.02 0.00 0.00 32.46 30.31 3ikm n ARG 344 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ikm h GLY 345 N 0.00 0.91 0.86 -0.13 0.00 -1.91 0.82 103.07 103.61 3ikm h GLY 345 Ca 0.56 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 3ikm h GLY 345 CO -0.62 -0.23 0.05 1.98 0.00 0.00 0.00 176.54 177.72 3ikm h MET 346 N 0.19 0.34 -0.08 4.80 1.85 -0.83 -2.02 114.93 119.18 3ikm h MET 346 Ca 0.40 -0.08 0.02 0.00 -0.61 0.00 0.00 59.70 59.43 3ikm h MET 346 Cb 0.69 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.67 3ikm h MET 346 CO -0.56 0.46 0.34 -0.07 -0.40 0.00 0.00 176.91 176.69 3ikm h LEU 347 N 0.15 0.00 0.05 3.39 4.07 0.53 0.30 115.31 123.80 3ikm h LEU 347 Ca 0.07 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.68 3ikm h LEU 347 Cb 0.28 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 3ikm h LEU 347 CO 0.00 0.00 -1.99 0.00 -1.08 0.00 0.00 178.44 175.37 3ikm n ALA 348 N -1.99 1.23 0.48 1.53 0.00 0.20 -3.60 120.51 118.37 3ikm n ALA 348 Ca -0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 53.44 52.44 3ikm n ALA 348 Cb 0.42 -0.62 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 3ikm n ALA 348 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3ikm h TYR 349 N 0.03 -1.23 -0.74 0.00 0.05 0.27 2.43 116.97 117.79 3ikm h TYR 349 Ca -0.41 -0.02 0.21 0.00 0.05 0.00 0.00 58.73 58.57 3ikm h TYR 349 Cb 2.04 0.42 -0.03 0.00 1.01 0.00 0.00 36.73 40.16 3ikm h TYR 349 CO 0.04 -0.74 0.61 1.37 -1.05 0.00 0.00 178.16 178.39 3ikm h LEU 350 N -1.25 0.00 0.00 3.88 8.10 -1.64 0.44 115.31 124.84 3ikm h LEU 350 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.87 3ikm h LEU 350 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.20 3ikm h LEU 350 CO 0.18 0.00 0.00 -1.22 -4.11 0.00 0.00 178.44 173.29 3ikm n TYR 351 N -4.01 0.00 0.00 0.17 4.01 0.17 -2.66 117.16 114.84 3ikm n TYR 351 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3ikm n TYR 351 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 3ikm n TYR 351 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3ikm n ASP 352 N -0.41 0.00 0.00 7.72 -0.08 0.77 0.79 116.55 125.33 3ikm n ASP 352 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3ikm n ASP 352 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3ikm n ASP 352 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3ikm n SER 353 N -0.22 0.00 -0.22 1.67 3.41 0.12 -1.23 113.62 117.13 3ikm n SER 353 Ca 0.00 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.83 3ikm n SER 353 Cb 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.21 3ikm n SER 353 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3ikm n PHE 354 N -0.45 0.00 -0.30 7.33 7.35 0.30 -3.45 117.46 128.25 3ikm n PHE 354 Ca 0.00 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.84 3ikm n PHE 354 Cb 0.00 -0.12 0.32 0.00 0.35 0.00 0.00 39.48 40.03 3ikm n PHE 354 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3ikm h GLN 355 N 1.10 0.24 -5.03 -4.13 -0.00 3.16 -3.16 115.11 107.29 3ikm h GLN 355 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3ikm h GLN 355 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.97 3ikm h GLN 355 CO 0.00 0.16 0.67 1.28 0.00 0.00 0.00 178.83 180.94 3ikm n LEU 356 N -5.18 -0.89 -4.96 -2.39 4.77 -0.71 -4.71 117.00 102.93 3ikm n LEU 356 Ca 0.23 -1.76 -0.20 0.00 -0.03 0.00 0.00 56.01 54.25 3ikm n LEU 356 Cb 0.72 -0.97 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3ikm n LEU 356 CO 0.08 -2.29 0.14 -0.89 -1.33 0.00 0.00 177.39 173.09 3ikm s THR 357 N 5.84 2.49 0.00 -5.08 2.01 -1.20 -4.16 115.64 115.55 3ikm s THR 357 Ca 0.27 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 61.10 3ikm s THR 357 Cb -0.02 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.83 3ikm s THR 357 CO 0.06 0.00 0.00 -1.84 -0.69 0.00 0.00 174.62 172.15 3ikm n GLU 358 N -1.85 0.00 -1.76 4.92 0.28 -1.26 -4.77 120.64 116.19 3ikm n GLU 358 Ca 0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.86 3ikm n GLU 358 Cb 0.61 -0.14 -0.06 0.00 1.43 0.00 0.00 31.44 33.28 3ikm n GLU 358 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3ikm s ASN 359 N 0.00 4.44 0.00 -1.84 -0.87 -1.26 0.20 114.94 115.61 3ikm s ASN 359 Ca 0.00 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 3ikm s ASN 359 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 3ikm s ASN 359 CO 0.00 -3.34 0.00 -1.20 -2.57 0.00 0.00 177.10 169.99 3ikm n SER 360 N 16.54 -0.12 -4.17 -1.22 7.64 -1.26 -5.08 113.62 125.95 3ikm n SER 360 Ca 0.42 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.92 3ikm n SER 360 Cb 0.46 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 3ikm n SER 360 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3ikm s PHE 361 N -1.47 3.50 -0.57 1.43 5.36 0.13 -4.49 117.98 121.87 3ikm s PHE 361 Ca 0.00 -2.12 -0.00 0.00 -0.96 0.00 0.00 56.93 53.85 3ikm s PHE 361 Cb 0.00 -3.25 -0.00 0.00 -0.34 0.00 0.00 43.02 39.42 3ikm s PHE 361 CO 0.00 -0.96 0.47 0.25 -1.46 0.00 0.00 175.22 173.52 3ikm n THR 362 N 4.74 -2.96 0.08 0.12 -2.24 -1.26 -4.95 114.28 107.80 3ikm n THR 362 Ca -0.05 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3ikm n THR 362 Cb 0.41 -3.74 0.00 0.00 -2.10 0.00 0.00 70.33 64.90 3ikm n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ikm n ARG 363 N -2.48 0.00 -4.27 -0.78 1.74 -1.26 -5.12 116.66 104.49 3ikm n ARG 363 Ca -0.13 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.80 3ikm n ARG 363 Cb 0.58 -0.33 -0.10 0.00 -1.02 0.00 0.00 32.46 31.59 3ikm n ARG 363 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3ikm s LYS 364 N -1.95 1.16 0.73 5.56 0.00 -1.26 -5.14 119.74 118.84 3ikm s LYS 364 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 55.97 54.29 3ikm s LYS 364 Cb 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 37.83 37.25 3ikm s LYS 364 CO 0.00 -0.06 -0.65 1.17 0.00 0.00 0.00 175.35 175.81 3ikm n LYS 365 N -0.28 0.00 -3.18 1.78 3.00 -1.26 -4.84 118.16 113.37 3ikm n LYS 365 Ca -0.07 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.78 3ikm n LYS 365 Cb 0.63 -0.73 -0.04 0.00 0.00 0.00 0.00 35.03 34.88 3ikm n LYS 365 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3ikm s ASN 366 N -0.73 6.30 -0.25 3.14 0.01 -1.26 -4.50 114.94 117.65 3ikm s ASN 366 Ca 0.29 -1.76 0.17 0.00 -0.71 0.00 0.00 52.86 50.85 3ikm s ASN 366 Cb -0.11 -2.27 0.41 0.00 0.41 0.00 0.00 41.25 39.69 3ikm s ASN 366 CO 0.59 -0.96 1.30 0.00 -1.51 0.00 0.00 177.10 176.52 3ikm n LEU 367 N 5.71 -0.07 -3.62 0.60 -0.00 -1.26 -5.03 117.00 113.33 3ikm n LEU 367 Ca -0.05 -2.94 -0.41 0.00 -0.00 0.00 0.00 56.01 52.61 3ikm n LEU 367 Cb 0.43 0.22 -0.02 0.00 -0.00 0.00 0.00 43.42 44.05 3ikm n LEU 367 CO 0.53 1.34 2.54 1.57 -0.00 0.00 0.00 177.39 183.37 3ikm n HIS 368 N -0.89 2.75 0.02 1.47 -0.00 -1.26 -4.54 115.22 112.77 3ikm n HIS 368 Ca -0.07 -2.53 -0.18 0.00 0.46 0.00 0.00 57.72 55.39 3ikm n HIS 368 Cb 0.85 -2.21 -0.08 0.00 -0.12 0.00 0.00 29.99 28.44 3ikm n HIS 368 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 3ikm h ARG 369 N 6.56 0.68 0.00 1.57 -0.00 -1.98 -3.49 114.38 117.72 3ikm h ARG 369 Ca 0.54 -0.65 0.22 0.00 -0.00 0.00 0.00 59.98 60.10 3ikm h ARG 369 Cb 0.59 0.17 -0.06 0.00 -0.00 0.00 0.00 29.97 30.67 3ikm h ARG 369 CO 1.88 1.25 -0.30 1.63 -0.00 0.00 0.00 179.97 184.43 3ikm n LYS 370 N -3.87 -1.65 -3.64 0.08 5.02 -1.26 -4.99 118.16 107.85 3ikm n LYS 370 Ca -0.09 1.09 -0.06 0.00 -2.02 0.00 0.00 58.31 57.23 3ikm n LYS 370 Cb 0.82 -2.01 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3ikm n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ikm s VAL 371 N -1.25 0.00 0.41 -0.18 0.11 -1.26 -4.68 120.40 113.56 3ikm s VAL 371 Ca 0.00 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 3ikm s VAL 371 Cb 0.00 -1.54 -0.00 0.00 -1.53 0.00 0.00 36.38 33.30 3ikm s VAL 371 CO 0.00 0.00 0.61 -1.48 -3.33 0.00 0.00 175.10 170.90 3ikm s LEU 372 N -2.75 3.75 -0.11 2.54 0.05 -1.16 -4.51 118.68 116.48 3ikm s LEU 372 Ca 0.09 0.14 -0.04 0.00 0.05 0.00 0.00 54.13 54.37 3ikm s LEU 372 Cb -0.01 -3.03 0.05 0.00 -2.05 0.00 0.00 46.19 41.14 3ikm s LEU 372 CO -0.03 -0.62 0.09 -0.54 -0.55 0.00 0.00 176.35 174.71 3ikm s LYS 373 N -4.43 0.01 -0.03 1.48 1.02 -1.26 -4.57 119.74 111.96 3ikm s LYS 373 Ca 0.47 0.17 0.04 0.00 0.02 0.00 0.00 55.97 56.68 3ikm s LYS 373 Cb -0.10 -1.14 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 3ikm s LYS 373 CO 0.36 -0.51 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.63 3ikm s LEU 374 N 2.18 2.75 0.45 3.17 1.43 -1.26 -4.05 118.68 123.34 3ikm s LEU 374 Ca 0.04 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.68 3ikm s LEU 374 Cb -0.14 -1.57 -0.10 0.00 0.03 0.00 0.00 46.19 44.41 3ikm s LEU 374 CO -0.07 0.33 1.03 1.57 0.23 0.00 0.00 176.35 179.45 3ikm n HIS 375 N 2.14 1.23 -0.32 0.29 -0.00 -1.26 -4.50 115.22 112.80 3ikm n HIS 375 Ca -0.17 0.53 0.16 0.00 -0.00 0.00 0.00 57.72 58.24 3ikm n HIS 375 Cb 0.52 -2.23 0.32 0.00 -0.00 0.00 0.00 29.99 28.60 3ikm n HIS 375 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3ikm h PRO 376 N 1.45 0.07 0.00 1.57 0.13 -1.96 1.05 132.00 134.31 3ikm h PRO 376 Ca -0.46 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3ikm h PRO 376 Cb 1.34 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3ikm h PRO 376 CO 0.56 0.04 -0.27 0.00 -0.23 0.00 0.00 178.00 178.11 3ikm h LEU 378 N 0.00 -0.30 -6.85 0.00 4.07 0.84 -3.46 115.31 109.61 3ikm h LEU 378 Ca -0.00 0.01 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 3ikm h LEU 378 Cb 0.68 0.08 0.10 0.00 1.08 0.00 0.00 40.66 42.60 3ikm h LEU 378 CO 0.03 -0.22 -0.54 0.00 -1.08 0.00 0.00 178.44 176.64 3ikm n ALA 379 N -2.18 -2.50 -0.03 1.53 0.00 -0.83 -4.73 120.51 111.76 3ikm n ALA 379 Ca -0.04 0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 3ikm n ALA 379 Cb 0.14 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.32 3ikm n ALA 379 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ikm h PRO 380 N 0.55 0.41 -5.27 0.00 0.13 -1.88 -3.44 132.00 122.49 3ikm h PRO 380 Ca -0.24 -0.33 -0.66 0.00 -0.87 0.00 0.00 66.00 63.90 3ikm h PRO 380 Cb 1.10 0.07 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 3ikm h PRO 380 CO 0.40 0.97 -0.76 0.42 -0.23 0.00 0.00 178.00 178.80 3ikm s ILE 381 N -3.65 3.09 -0.03 -3.56 1.09 -1.26 -4.84 121.20 112.04 3ikm s ILE 381 Ca -0.14 -0.64 -0.22 0.00 -1.10 0.00 0.00 60.65 58.56 3ikm s ILE 381 Cb 0.04 -2.31 -0.26 0.00 -1.06 0.00 0.00 42.46 38.87 3ikm s ILE 381 CO 0.80 0.51 1.01 0.50 -0.10 0.00 0.00 174.94 177.66 3ikm h LYS 382 N 6.90 0.32 -3.54 2.79 3.64 -1.84 -3.28 116.57 121.56 3ikm h LYS 382 Ca -0.28 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 58.64 3ikm h LYS 382 Cb 1.20 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 33.04 3ikm h LYS 382 CO 0.57 1.11 -0.11 0.54 -2.27 0.00 0.00 179.45 179.29 3ikm s VAL 383 N -2.91 0.04 -0.28 2.00 0.11 -1.24 0.39 120.40 118.51 3ikm s VAL 383 Ca -0.14 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 57.90 3ikm s VAL 383 Cb 0.02 -1.69 0.08 0.00 -1.53 0.00 0.00 36.38 33.25 3ikm s VAL 383 CO 0.81 -0.19 -0.03 0.00 -3.33 0.00 0.00 175.10 172.36 3ikm s ALA 384 N -3.91 2.39 0.81 1.54 0.00 -1.21 -0.53 121.76 120.85 3ikm s ALA 384 Ca 0.12 -1.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.09 3ikm s ALA 384 Cb 0.01 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.54 3ikm s ALA 384 CO -0.02 -1.38 1.06 1.28 0.00 0.00 0.00 175.76 176.71 3ikm n LEU 385 N 4.49 3.63 -3.98 0.00 4.77 -1.26 -3.60 117.00 121.06 3ikm n LEU 385 Ca -0.07 0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 56.36 3ikm n LEU 385 Cb 0.43 -1.45 -0.12 0.00 -2.33 0.00 0.00 43.42 39.94 3ikm n LEU 385 CO 0.19 -2.02 -0.38 -1.81 -1.33 0.00 0.00 177.39 172.05 3ikm s ASP 386 N -2.03 0.39 -0.07 -1.43 1.01 -0.10 0.81 116.67 115.26 3ikm s ASP 386 Ca 0.71 -0.36 -0.03 0.00 0.71 0.00 0.00 52.55 53.58 3ikm s ASP 386 Cb -0.29 0.04 0.04 0.00 1.01 0.00 0.00 42.92 43.72 3ikm s ASP 386 CO 0.53 -0.17 0.12 0.68 0.21 0.00 0.00 175.17 176.54 3ikm s VAL 387 N -0.98 -0.19 -0.11 -1.27 -7.23 -1.23 0.33 120.40 109.72 3ikm s VAL 387 Ca -0.09 0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 60.40 3ikm s VAL 387 Cb -0.07 -0.23 0.05 0.00 0.56 0.00 0.00 36.38 36.69 3ikm s VAL 387 CO -0.00 0.16 0.25 -0.83 -0.31 0.00 0.00 175.10 174.36 3ikm s GLY 388 N 2.18 -0.13 0.00 2.32 0.00 0.73 -4.40 107.32 108.02 3ikm s GLY 388 Ca 0.03 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.74 3ikm s GLY 388 CO -0.05 1.45 0.00 -2.13 0.00 0.00 0.00 173.10 172.37 3ikm n ARG 389 N 4.53 0.00 -4.37 2.90 3.00 -1.26 -3.76 116.66 117.69 3ikm n ARG 389 Ca -0.20 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.41 3ikm n ARG 389 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.90 3ikm n ARG 389 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3ikm s GLY 390 N -0.01 1.87 0.30 5.14 0.00 -1.26 -1.09 107.32 112.28 3ikm s GLY 390 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 3ikm s GLY 390 CO 0.00 -1.86 1.35 -4.14 0.00 0.00 0.00 173.10 168.45 3ikm s PRO 391 N -3.63 4.32 0.17 2.90 0.02 -1.26 -4.92 135.00 132.60 3ikm s PRO 391 Ca 0.32 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.61 3ikm s PRO 391 Cb -0.04 -3.08 0.44 0.00 0.02 0.00 0.00 34.50 31.84 3ikm s PRO 391 CO 0.18 -0.27 0.84 2.41 -0.33 0.00 0.00 177.00 179.83 3ikm n THR 392 N 1.29 -0.23 0.00 0.99 -1.04 -0.25 0.17 114.28 115.22 3ikm n THR 392 Ca 0.02 1.17 -0.17 0.00 -2.04 0.00 0.00 64.05 63.03 3ikm n THR 392 Cb 0.41 -1.73 -0.12 0.00 -1.82 0.00 0.00 70.33 67.07 3ikm n THR 392 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3ikm h LEU 393 N 0.00 0.43 -1.75 -4.42 3.38 -1.96 -3.33 115.31 107.66 3ikm h LEU 393 Ca 0.34 -0.81 0.45 0.00 0.09 0.00 0.00 57.88 57.95 3ikm h LEU 393 Cb 0.72 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 3ikm h LEU 393 CO -0.50 1.19 1.04 -0.33 0.09 0.00 0.00 178.44 179.93 3ikm h GLU 394 N -0.28 0.06 0.10 1.13 3.07 -0.60 1.85 114.58 119.90 3ikm h GLU 394 Ca -0.07 -0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.51 3ikm h GLU 394 Cb 1.29 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 3ikm h GLU 394 CO 0.11 0.04 -1.27 -0.07 -1.40 0.00 0.00 179.01 176.41 3ikm h LEU 395 N 0.06 0.33 -0.75 1.33 3.38 -1.67 -3.26 115.31 114.73 3ikm h LEU 395 Ca 0.79 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 3ikm h LEU 395 Cb 2.86 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 43.47 3ikm h LEU 395 CO -0.17 1.30 0.21 0.08 0.09 0.00 0.00 178.44 179.95 3ikm h ARG 396 N 0.06 1.16 -0.73 1.13 -0.00 0.27 0.62 114.38 116.88 3ikm h ARG 396 Ca -0.14 -0.26 0.10 0.00 -0.00 0.00 0.00 59.98 59.68 3ikm h ARG 396 Cb 1.95 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.97 31.71 3ikm h ARG 396 CO 0.18 0.99 0.48 -0.56 -0.00 0.00 0.00 179.97 181.06 3ikm h GLN 397 N 1.11 0.59 0.29 0.08 3.07 -1.20 1.62 115.11 120.67 3ikm h GLN 397 Ca 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.93 3ikm h GLN 397 Cb 0.33 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.76 3ikm h GLN 397 CO -0.00 0.39 -0.14 0.28 0.09 0.00 0.00 178.83 179.45 3ikm h VAL 398 N 0.61 0.72 -0.50 1.86 2.07 -0.94 -0.18 116.25 119.88 3ikm h VAL 398 Ca 0.33 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.29 3ikm h VAL 398 Cb 0.49 1.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.22 3ikm h VAL 398 CO -0.12 0.13 -0.09 0.00 0.02 0.00 0.00 177.57 177.51 3ikm h GLN 400 N 0.03 -0.22 -0.11 0.00 -0.00 0.24 0.52 115.11 115.57 3ikm h GLN 400 Ca 0.24 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.93 3ikm h GLN 400 Cb 0.37 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 27.86 3ikm h GLN 400 CO -0.49 -0.14 -0.33 0.78 0.00 0.00 0.00 178.83 178.65 3ikm h GLY 401 N -0.22 -1.30 -0.02 2.39 0.00 0.30 0.11 103.07 104.33 3ikm h GLY 401 Ca 0.19 0.69 0.00 0.00 0.00 0.00 0.00 47.33 48.22 3ikm h GLY 401 CO -0.59 -0.36 -0.03 1.41 0.00 0.00 0.00 176.54 176.97 3ikm h LEU 402 N -0.33 -0.11 0.00 3.11 4.07 0.11 0.55 115.31 122.71 3ikm h LEU 402 Ca 0.02 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3ikm h LEU 402 Cb 0.40 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3ikm h LEU 402 CO -0.28 -0.03 0.00 0.33 -1.08 0.00 0.00 178.44 177.39 3ikm n PHE 403 N -2.82 0.00 -0.15 1.13 -0.00 0.17 0.26 117.46 116.06 3ikm n PHE 403 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 3ikm n PHE 403 Cb 0.02 -0.08 -0.06 0.00 -0.00 0.00 0.00 39.48 39.36 3ikm n PHE 403 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3ikm h ASN 404 N 0.00 -1.19 -0.93 -2.13 4.21 -0.54 4.59 115.58 119.60 3ikm h ASN 404 Ca 0.00 0.17 0.17 0.00 1.21 0.00 0.00 56.30 57.85 3ikm h ASN 404 Cb 0.00 0.50 -0.17 0.00 -1.12 0.00 0.00 38.32 37.54 3ikm h ASN 404 CO 0.00 -0.20 -0.29 -0.08 -1.29 0.00 0.00 177.43 175.56 3ikm h GLU 405 N -0.15 -0.01 0.25 0.81 4.22 0.26 0.91 114.58 120.87 3ikm h GLU 405 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 3ikm h GLU 405 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ikm h GLU 405 CO -0.44 -0.01 -0.12 -0.07 -2.18 0.00 0.00 179.01 176.20 3ikm h LEU 406 N -0.01 -0.28 -0.32 1.64 4.07 0.83 -2.82 115.31 118.41 3ikm h LEU 406 Ca 0.40 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.42 3ikm h LEU 406 Cb 0.64 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.40 3ikm h LEU 406 CO -0.95 -0.19 -0.11 -0.11 -1.08 0.00 0.00 178.44 176.00 3ikm n LEU 407 N -2.94 -0.18 0.14 1.67 0.00 1.46 -0.40 117.00 116.75 3ikm n LEU 407 Ca -0.04 0.55 -0.14 0.00 0.00 0.00 0.00 56.01 56.39 3ikm n LEU 407 Cb 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 43.42 43.33 3ikm n LEU 407 CO 0.10 -0.51 0.62 -0.33 0.00 0.00 0.00 177.39 177.27 3ikm h GLU 408 N 0.00 -0.34 -0.83 1.96 3.07 -0.87 -3.26 114.58 114.31 3ikm h GLU 408 Ca 0.12 0.02 0.25 0.00 -0.50 0.00 0.00 59.36 59.26 3ikm h GLU 408 Cb 0.20 0.08 -0.15 0.00 -0.84 0.00 0.00 28.75 28.04 3ikm h GLU 408 CO -0.32 -0.06 0.11 0.09 -1.40 0.00 0.00 179.01 177.43 3ikm n ASN 409 N -5.13 -0.01 0.00 1.42 3.02 0.46 -4.67 115.26 110.35 3ikm n ASN 409 Ca -0.09 1.40 0.00 0.00 -0.03 0.00 0.00 54.58 55.86 3ikm n ASN 409 Cb 0.24 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3ikm n ASN 409 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ikm n GLY 410 N -1.37 1.02 3.28 7.41 0.00 -1.22 -5.14 105.19 109.17 3ikm n GLY 410 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3ikm n GLY 410 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ikm s ILE 411 N -1.32 2.38 0.40 -0.61 2.07 -1.25 -5.10 121.20 117.76 3ikm s ILE 411 Ca 0.00 -0.91 -0.24 0.00 -1.41 0.00 0.00 60.65 58.09 3ikm s ILE 411 Cb 0.00 -1.93 -0.09 0.00 0.13 0.00 0.00 42.46 40.57 3ikm s ILE 411 CO 0.00 0.55 1.05 -0.94 -1.91 0.00 0.00 174.94 173.69 3ikm s SER 412 N 0.22 6.74 0.13 4.50 1.04 -1.26 -4.29 113.70 120.77 3ikm s SER 412 Ca -0.13 2.03 -0.12 0.00 0.48 0.00 0.00 55.95 58.20 3ikm s SER 412 Cb -0.16 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.38 3ikm s SER 412 CO 0.07 -0.51 0.32 -0.69 0.98 0.00 0.00 173.24 173.41 3ikm s VAL 413 N -1.68 0.09 -1.07 5.02 1.01 -1.26 -3.38 120.40 119.12 3ikm s VAL 413 Ca 0.58 -1.00 0.12 0.00 0.00 0.00 0.00 61.98 61.68 3ikm s VAL 413 Cb -0.21 -1.44 0.32 0.00 0.00 0.00 0.00 36.38 35.05 3ikm s VAL 413 CO 0.27 -0.40 1.26 1.87 0.00 0.00 0.00 175.10 178.10 3ikm n TRP 414 N -0.18 0.48 -3.08 5.22 -0.00 0.31 -4.98 117.44 115.21 3ikm n TRP 414 Ca -0.13 -0.46 -0.00 0.00 -0.00 0.00 0.00 57.50 56.90 3ikm n TRP 414 Cb 0.63 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.31 31.91 3ikm n TRP 414 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3ikm n PRO 415 N 0.64 -1.23 -0.21 5.87 -0.01 -1.26 -4.67 135.00 134.13 3ikm n PRO 415 Ca 0.13 1.25 0.09 0.00 -0.01 0.00 0.00 63.50 64.95 3ikm n PRO 415 Cb 0.44 -1.09 0.25 0.00 -0.01 0.00 0.00 33.50 33.09 3ikm n PRO 415 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3ikm n GLY 416 N 2.20 1.20 0.19 -1.23 0.00 0.24 -4.03 105.19 103.75 3ikm n GLY 416 Ca -0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 3ikm n GLY 416 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ikm h TYR 417 N 3.04 -0.38 -0.34 1.61 0.99 -1.89 -0.25 116.97 119.75 3ikm h TYR 417 Ca 0.00 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.79 3ikm h TYR 417 Cb 0.68 0.12 -0.07 0.00 1.00 0.00 0.00 36.73 38.47 3ikm h TYR 417 CO 0.28 -0.16 -0.15 1.25 -0.00 0.00 0.00 178.16 179.37 3ikm h LEU 418 N -0.52 -0.52 -0.89 3.88 5.85 -1.94 -2.51 115.31 118.66 3ikm h LEU 418 Ca -0.04 0.13 0.38 0.00 0.84 0.00 0.00 57.88 59.18 3ikm h LEU 418 Cb 0.39 0.29 -0.16 0.00 0.37 0.00 0.00 40.66 41.55 3ikm h LEU 418 CO 0.07 -0.19 0.48 1.21 -0.34 0.00 0.00 178.44 179.67 3ikm n GLU 419 N -5.33 -0.05 -0.25 1.25 0.00 -0.18 -2.00 120.64 114.07 3ikm n GLU 419 Ca 0.01 1.23 0.15 0.00 0.00 0.00 0.00 57.16 58.55 3ikm n GLU 419 Cb 0.25 -2.22 0.43 0.00 0.00 0.00 0.00 31.44 29.90 3ikm n GLU 419 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3ikm h THR 420 N 0.00 0.77 0.67 6.31 2.02 -0.88 -3.17 112.91 118.63 3ikm h THR 420 Ca 0.76 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.71 3ikm h THR 420 Cb 2.01 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3ikm h THR 420 CO -0.69 0.10 -0.32 0.00 0.37 0.00 0.00 175.52 174.98 3ikm h MET 421 N 0.57 -0.87 -6.97 6.66 -0.00 -1.60 -3.45 114.93 109.28 3ikm h MET 421 Ca 0.45 0.06 -0.49 0.00 -0.00 0.00 0.00 59.70 59.72 3ikm h MET 421 Cb 0.88 0.20 0.03 0.00 -0.00 0.00 0.00 31.60 32.71 3ikm h MET 421 CO -0.20 -0.55 0.43 -1.14 -0.00 0.00 0.00 176.91 175.45 3ikm s GLN 422 N -5.60 4.06 3.40 -0.10 0.74 -1.20 -4.91 119.66 116.05 3ikm s GLN 422 Ca -0.17 1.59 0.00 0.00 0.05 0.00 0.00 55.36 56.83 3ikm s GLN 422 Cb 0.03 -2.51 0.00 0.00 1.10 0.00 0.00 33.01 31.63 3ikm s GLN 422 CO 0.57 -0.25 0.00 -1.13 -0.55 0.00 0.00 175.29 173.93 3ikm n SER 423 N -0.18 0.00 -3.64 6.67 3.41 -1.26 -4.92 113.62 113.70 3ikm n SER 423 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 3ikm n SER 423 Cb 0.49 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 3ikm n SER 423 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ikm s SER 424 N -4.00 -0.53 0.22 4.04 0.15 -1.26 -5.10 113.70 107.22 3ikm s SER 424 Ca 0.00 0.79 -0.04 0.00 0.70 0.00 0.00 55.95 57.40 3ikm s SER 424 Cb 0.00 0.79 0.41 0.00 -1.71 0.00 0.00 66.02 65.50 3ikm s SER 424 CO 0.00 -0.38 1.19 -0.11 1.20 0.00 0.00 173.24 175.14 3ikm n LEU 425 N 1.86 -0.23 -0.09 3.45 7.94 -1.26 -2.84 117.00 125.83 3ikm n LEU 425 Ca -0.17 1.31 -0.06 0.00 -1.11 0.00 0.00 56.01 55.98 3ikm n LEU 425 Cb 0.56 -0.42 0.01 0.00 0.53 0.00 0.00 43.42 44.11 3ikm n LEU 425 CO 0.16 -1.28 0.88 -0.08 -1.11 0.00 0.00 177.39 175.96 3ikm h GLU 426 N 0.00 0.13 0.00 1.96 4.57 -2.00 -2.23 114.58 117.01 3ikm h GLU 426 Ca 0.39 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.51 3ikm h GLU 426 Cb 0.65 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3ikm h GLU 426 CO -0.77 0.09 -0.26 1.96 -1.18 0.00 0.00 179.01 178.85 3ikm h GLN 427 N 0.13 0.00 0.17 1.92 7.50 -1.95 -1.55 115.11 121.34 3ikm h GLN 427 Ca 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.30 3ikm h GLN 427 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.72 3ikm h GLN 427 CO -0.23 0.26 -0.11 -0.07 -1.50 0.00 0.00 178.83 177.17 3ikm h LEU 428 N 0.00 -0.29 -0.19 1.46 3.38 -1.45 1.33 115.31 119.55 3ikm h LEU 428 Ca -0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ikm h LEU 428 Cb 0.54 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3ikm h LEU 428 CO 0.03 -0.17 -0.11 -1.22 0.09 0.00 0.00 178.44 177.06 3ikm n TYR 429 N -2.90 -0.08 0.00 1.13 0.53 -1.01 -0.72 117.16 114.10 3ikm n TYR 429 Ca -0.03 0.24 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 3ikm n TYR 429 Cb 0.11 -0.38 0.00 0.00 -1.03 0.00 0.00 39.34 38.04 3ikm n TYR 429 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 3ikm n SER 430 N -3.29 0.00 -0.34 7.72 3.41 -0.60 -0.46 113.62 120.06 3ikm n SER 430 Ca 0.00 0.97 0.02 0.00 -0.26 0.00 0.00 58.87 59.60 3ikm n SER 430 Cb 0.05 -0.47 0.09 0.00 -0.26 0.00 0.00 64.21 63.62 3ikm n SER 430 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ikm h LYS 431 N 0.00 -0.01 -0.14 4.33 3.11 0.33 0.92 116.57 125.10 3ikm h LYS 431 Ca 0.00 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.88 3ikm h LYS 431 Cb 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.19 3ikm h LYS 431 CO 0.00 -0.01 -0.14 1.88 -2.81 0.00 0.00 179.45 178.37 3ikm h TYR 432 N -0.01 -0.36 -0.03 1.91 0.99 0.47 1.05 116.97 120.99 3ikm h TYR 432 Ca 0.40 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.15 3ikm h TYR 432 Cb 0.64 0.18 -0.00 0.00 1.00 0.00 0.00 36.73 38.55 3ikm h TYR 432 CO -0.77 -0.21 0.02 -0.44 -0.00 0.00 0.00 178.16 176.76 3ikm h ASP 433 N -0.17 0.04 0.00 3.88 3.32 0.18 2.16 116.42 125.84 3ikm h ASP 433 Ca 0.10 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ikm h ASP 433 Cb 0.31 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3ikm h ASP 433 CO -0.24 0.08 0.25 -0.33 -1.72 0.00 0.00 179.24 177.28 3ikm h GLU 434 N -0.00 0.00 0.01 3.56 5.08 0.19 -1.42 114.58 121.99 3ikm h GLU 434 Ca 0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 3ikm h GLU 434 Cb 0.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3ikm h GLU 434 CO -0.00 0.00 -2.20 -0.12 -1.00 0.00 0.00 179.01 175.69 3ikm n MET 435 N -2.56 0.67 0.00 2.33 1.56 0.63 -4.53 117.12 115.23 3ikm n MET 435 Ca -0.02 0.11 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 3ikm n MET 435 Cb 0.29 -1.61 0.00 0.00 2.15 0.00 0.00 33.22 34.05 3ikm n MET 435 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3ikm n SER 436 N -2.96 0.00 -4.66 6.12 2.88 0.40 -4.90 113.62 110.50 3ikm n SER 436 Ca -0.31 0.00 -0.60 0.00 -1.33 0.00 0.00 58.87 56.64 3ikm n SER 436 Cb 1.10 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.48 3ikm n SER 436 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3ikm n ILE 437 N -1.12 0.20 0.00 2.46 -5.35 -1.21 -4.83 119.36 109.51 3ikm n ILE 437 Ca 0.00 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3ikm n ILE 437 Cb 0.00 -1.03 0.00 0.00 -1.74 0.00 0.00 39.64 36.87 3ikm n ILE 437 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ikm n LEU 438 N 5.61 0.00 -4.63 7.28 7.99 0.16 -4.73 117.00 128.68 3ikm n LEU 438 Ca 0.31 0.35 -0.29 0.00 -0.01 0.00 0.00 56.01 56.37 3ikm n LEU 438 Cb 0.08 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.29 3ikm n LEU 438 CO 0.83 0.00 -0.27 -0.36 -1.51 0.00 0.00 177.39 176.09 3ikm s PHE 439 N -0.70 2.18 0.03 -1.77 0.08 -1.24 -4.36 117.98 112.21 3ikm s PHE 439 Ca 0.00 -0.85 -0.00 0.00 0.12 0.00 0.00 56.93 56.20 3ikm s PHE 439 Cb 0.00 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 3ikm s PHE 439 CO 0.00 0.26 -0.03 0.95 -0.10 0.00 0.00 175.22 176.30 3ikm s THR 440 N -2.88 0.15 -0.21 0.64 -4.23 -1.26 -3.36 115.64 104.48 3ikm s THR 440 Ca 0.25 -1.16 -0.03 0.00 -1.18 0.00 0.00 61.69 59.57 3ikm s THR 440 Cb 0.07 -0.61 0.07 0.00 1.34 0.00 0.00 72.50 73.37 3ikm s THR 440 CO 0.13 -0.64 0.07 0.68 -0.54 0.00 0.00 174.62 174.32 3ikm s VAL 441 N -2.14 0.31 -0.81 2.29 -7.23 -1.24 -3.65 120.40 107.94 3ikm s VAL 441 Ca -0.10 -0.57 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 3ikm s VAL 441 Cb -0.05 -0.97 0.04 0.00 0.56 0.00 0.00 36.38 35.96 3ikm s VAL 441 CO -0.03 -0.35 1.32 -0.76 -0.31 0.00 0.00 175.10 174.97 3ikm s LEU 442 N 1.94 3.25 0.35 1.32 1.43 -1.26 -0.92 118.68 124.79 3ikm s LEU 442 Ca 0.02 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 52.13 3ikm s LEU 442 Cb -0.17 -2.56 -0.12 0.00 0.03 0.00 0.00 46.19 43.37 3ikm s LEU 442 CO -0.14 -1.75 1.12 1.33 0.23 0.00 0.00 176.35 177.14 3ikm n VAL 443 N 6.51 2.13 -2.76 -1.59 0.24 1.02 -4.65 118.33 119.22 3ikm n VAL 443 Ca 0.11 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3ikm n VAL 443 Cb 0.50 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 3ikm n VAL 443 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ikm n THR 444 N 0.07 0.00 0.02 3.34 -2.24 -1.25 0.26 114.28 114.48 3ikm n THR 444 Ca 0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 3ikm n THR 444 Cb 0.36 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.44 3ikm n THR 444 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ikm h GLU 445 N 0.00 0.23 0.00 -0.78 5.08 -1.91 -3.20 114.58 113.99 3ikm h GLU 445 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3ikm h GLU 445 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3ikm h GLU 445 CO 0.00 1.19 0.11 0.25 -1.00 0.00 0.00 179.01 179.56 3ikm n THR 446 N -4.17 1.46 0.22 1.13 -2.24 -1.26 0.66 114.28 110.08 3ikm n THR 446 Ca -0.16 0.48 0.05 0.00 -2.27 0.00 0.00 64.05 62.14 3ikm n THR 446 Cb 0.78 -1.48 0.50 0.00 -2.10 0.00 0.00 70.33 68.03 3ikm n THR 446 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ikm h THR 447 N 0.00 1.13 -0.02 4.28 1.03 -1.67 4.34 112.91 121.99 3ikm h THR 447 Ca 0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 3ikm h THR 447 Cb 0.22 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 3ikm h THR 447 CO 0.00 0.19 -0.02 0.18 -0.01 0.00 0.00 175.52 175.86 3ikm n LEU 448 N -4.29 2.36 0.00 0.00 4.32 3.00 -1.85 117.00 120.54 3ikm n LEU 448 Ca -0.02 -0.79 0.00 0.00 -0.02 0.00 0.00 56.01 55.18 3ikm n LEU 448 Cb 0.26 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 3ikm n LEU 448 CO 0.36 0.40 0.00 1.21 -1.22 0.00 0.00 177.39 178.14 3ikm n GLU 449 N 0.82 0.00 -0.37 3.23 0.00 0.56 -4.71 120.64 120.16 3ikm n GLU 449 Ca 0.16 0.00 0.32 0.00 0.00 0.00 0.00 57.16 57.63 3ikm n GLU 449 Cb 0.50 -0.08 0.58 0.00 0.00 0.00 0.00 31.44 32.44 3ikm n GLU 449 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3ikm h ASN 450 N 0.00 0.34 0.00 4.31 4.21 0.74 -3.38 115.58 121.80 3ikm h ASN 450 Ca 0.00 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3ikm h ASN 450 Cb 0.00 0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 3ikm h ASN 450 CO 0.00 -0.25 0.00 0.61 -1.29 0.00 0.00 177.43 176.50 3ikm n GLY 451 N -1.38 0.00 6.47 2.83 0.00 0.32 -5.03 105.19 108.41 3ikm n GLY 451 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3ikm n GLY 451 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ikm n LEU 452 N 0.00 0.00 0.00 0.99 4.32 0.44 -4.93 117.00 117.82 3ikm n LEU 452 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3ikm n LEU 452 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3ikm n LEU 452 CO 0.00 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 175.79 3ikm n ILE 453 N 0.00 0.00 0.40 -0.08 5.41 -1.26 -3.90 119.36 119.93 3ikm n ILE 453 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 3ikm n ILE 453 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 3ikm n ILE 453 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3ikm n HIS 454 N -1.32 0.12 0.00 1.39 -0.00 4.01 -4.17 115.22 115.26 3ikm n HIS 454 Ca 0.00 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.21 3ikm n HIS 454 Cb 0.00 -0.38 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 3ikm n HIS 454 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3ikm n LEU 455 N -2.01 0.00 0.00 0.27 4.32 -1.25 -4.50 117.00 113.83 3ikm n LEU 455 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3ikm n LEU 455 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 3ikm n LEU 455 CO 0.43 0.00 0.00 -2.11 -1.22 0.00 0.00 177.39 174.49 3ikm n ARG 456 N 2.19 0.00 0.00 3.23 0.00 -1.25 -2.86 116.66 117.97 3ikm n ARG 456 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3ikm n ARG 456 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3ikm n ARG 456 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3ikm n SER 457 N 0.00 0.00 -4.31 2.89 7.64 -1.24 -4.33 113.62 114.27 3ikm n SER 457 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 3ikm n SER 457 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 3ikm n SER 457 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3ikm n ARG 458 N 0.00 0.07 -4.08 1.43 0.00 -1.26 -4.57 116.66 108.25 3ikm n ARG 458 Ca 0.00 0.05 -0.29 0.00 -0.00 0.00 0.00 57.85 57.61 3ikm n ARG 458 Cb 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 32.46 30.88 3ikm n ARG 458 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3ikm s ASP 459 N -1.40 5.40 0.00 6.15 1.01 -1.26 -3.29 116.67 123.27 3ikm s ASP 459 Ca 0.57 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.75 3ikm s ASP 459 Cb -0.30 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.22 3ikm s ASP 459 CO 0.67 0.15 0.00 1.07 0.21 0.00 0.00 175.17 177.27 3ikm n THR 460 N 0.30 0.00 -3.96 -1.27 5.66 -1.26 -4.80 114.28 108.95 3ikm n THR 460 Ca -0.09 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.53 3ikm n THR 460 Cb 0.52 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.32 3ikm n THR 460 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 3ikm n THR 461 N 0.00 -2.52 -3.96 1.09 5.66 -1.26 -4.90 114.28 108.39 3ikm n THR 461 Ca 0.00 -0.39 -0.31 0.00 -3.05 0.00 0.00 64.05 60.31 3ikm n THR 461 Cb 0.00 -2.17 -0.15 0.00 -1.55 0.00 0.00 70.33 66.46 3ikm n THR 461 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3ikm s MET 462 N -6.57 1.38 -0.91 1.09 -2.45 -1.21 -5.03 119.30 105.60 3ikm s MET 462 Ca 0.33 -1.80 -0.01 0.00 -1.25 0.00 0.00 55.69 52.95 3ikm s MET 462 Cb -0.18 -3.00 0.34 0.00 1.25 0.00 0.00 34.83 33.24 3ikm s MET 462 CO 0.87 -0.96 1.93 1.63 1.05 0.00 0.00 175.02 179.54 3ikm n LYS 463 N 4.25 3.85 -2.73 4.11 5.02 -1.26 -4.03 118.16 127.38 3ikm n LYS 463 Ca 0.03 -4.00 -0.40 0.00 -2.02 0.00 0.00 58.31 51.91 3ikm n LYS 463 Cb 0.41 -2.35 -0.05 0.00 -0.02 0.00 0.00 35.03 33.02 3ikm n LYS 463 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3ikm s GLU 464 N -4.17 4.79 0.30 1.97 4.04 -1.26 -4.81 118.70 119.56 3ikm s GLU 464 Ca 0.47 1.50 -0.29 0.00 0.04 0.00 0.00 54.97 56.68 3ikm s GLU 464 Cb 0.34 -3.31 -0.10 0.00 0.02 0.00 0.00 34.13 31.08 3ikm s GLU 464 CO -0.30 0.40 1.17 -1.64 -1.84 0.00 0.00 175.26 173.05 3ikm s MET 465 N -0.78 4.52 -0.10 -4.83 -1.94 -1.14 -3.78 119.30 111.24 3ikm s MET 465 Ca 0.43 1.94 0.01 0.00 -1.71 0.00 0.00 55.69 56.36 3ikm s MET 465 Cb -0.25 -3.12 0.02 0.00 2.01 0.00 0.00 34.83 33.48 3ikm s MET 465 CO 0.32 0.05 -0.10 -1.64 -0.01 0.00 0.00 175.02 173.64 3ikm s MET 466 N -1.61 1.74 0.39 2.03 -1.94 -1.20 -4.87 119.30 113.85 3ikm s MET 466 Ca 0.47 -0.37 -0.26 0.00 -1.71 0.00 0.00 55.69 53.82 3ikm s MET 466 Cb -0.34 -1.63 -0.11 0.00 2.01 0.00 0.00 34.83 34.76 3ikm s MET 466 CO 0.45 -0.16 1.25 1.58 -0.01 0.00 0.00 175.02 178.13 3ikm n HIS 467 N 4.52 2.07 -0.18 -0.03 -0.00 -1.26 0.77 115.22 121.10 3ikm n HIS 467 Ca -0.17 0.53 -0.00 0.00 -0.00 0.00 0.00 57.72 58.08 3ikm n HIS 467 Cb 0.51 -2.37 0.09 0.00 -0.00 0.00 0.00 29.99 28.22 3ikm n HIS 467 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 3ikm h ILE 468 N 2.17 0.65 0.00 3.57 6.09 -1.94 -3.39 117.51 124.66 3ikm h ILE 468 Ca -0.47 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3ikm h ILE 468 Cb 1.30 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.98 3ikm h ILE 468 CO 0.60 0.04 0.00 -1.54 -3.07 0.00 0.00 178.15 174.19 3ikm n SER 469 N -5.15 0.00 -0.13 2.19 3.41 -1.26 -1.90 113.62 110.77 3ikm n SER 469 Ca 0.08 0.76 -0.04 0.00 -0.26 0.00 0.00 58.87 59.42 3ikm n SER 469 Cb 0.30 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 3ikm n SER 469 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ikm n LYS 470 N -1.36 -0.14 -0.01 4.33 5.02 -1.26 0.16 118.16 124.90 3ikm n LYS 470 Ca 0.00 0.65 -0.09 0.00 -2.02 0.00 0.00 58.31 56.84 3ikm n LYS 470 Cb 0.00 -0.96 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3ikm n LYS 470 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3ikm h LEU 471 N 0.00 -0.70 -0.56 -0.35 4.07 -1.77 1.21 115.31 117.21 3ikm h LEU 471 Ca 0.05 0.12 0.10 0.00 0.08 0.00 0.00 57.88 58.23 3ikm h LEU 471 Cb 0.13 0.32 -0.11 0.00 1.08 0.00 0.00 40.66 42.08 3ikm h LEU 471 CO -0.30 -0.27 -0.32 0.11 -1.08 0.00 0.00 178.44 176.57 3ikm h LYS 472 N -0.28 -0.16 -0.16 1.13 1.79 0.23 2.81 116.57 121.93 3ikm h LYS 472 Ca 0.11 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3ikm h LYS 472 Cb 0.44 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3ikm h LYS 472 CO -0.31 -0.11 0.00 -0.25 -1.08 0.00 0.00 179.45 177.70 3ikm n ASP 473 N -5.43 0.65 -0.02 0.86 9.92 0.18 -1.70 116.55 121.01 3ikm n ASP 473 Ca 0.04 -2.01 -0.18 0.00 -0.53 0.00 0.00 54.79 52.11 3ikm n ASP 473 Cb 0.35 -0.10 -0.14 0.00 -0.64 0.00 0.00 41.12 40.59 3ikm n ASP 473 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3ikm n PHE 474 N -0.16 1.01 -0.22 1.24 1.16 0.86 -3.35 117.46 117.99 3ikm n PHE 474 Ca 0.04 0.24 -0.07 0.00 -1.87 0.00 0.00 57.45 55.79 3ikm n PHE 474 Cb 0.11 -1.14 0.03 0.00 -1.61 0.00 0.00 39.48 36.87 3ikm n PHE 474 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3ikm h LEU 475 N 0.05 0.82 -1.36 5.98 3.38 0.19 1.06 115.31 125.42 3ikm h LEU 475 Ca -0.42 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.51 3ikm h LEU 475 Cb 2.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.51 3ikm h LEU 475 CO 0.06 0.73 0.52 0.16 0.09 0.00 0.00 178.44 180.00 3ikm h ILE 476 N 0.85 0.93 0.69 1.22 -2.65 -1.56 0.93 117.51 117.92 3ikm h ILE 476 Ca 0.21 -0.24 -0.03 0.00 1.03 0.00 0.00 64.86 65.83 3ikm h ILE 476 Cb 0.13 0.17 0.01 0.00 -2.05 0.00 0.00 36.82 35.07 3ikm h ILE 476 CO -0.03 0.13 -0.33 0.11 0.03 0.00 0.00 178.15 178.06 3ikm h LYS 477 N 0.70 -0.89 -0.02 0.16 1.57 -0.62 -3.19 116.57 114.28 3ikm h LYS 477 Ca 0.37 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3ikm h LYS 477 Cb 0.48 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 3ikm h LYS 477 CO -0.14 -0.59 -0.01 0.98 -0.57 0.00 0.00 179.45 179.11 3ikm n TYR 478 N -4.98 -0.01 -0.10 -1.35 4.19 0.34 0.89 117.16 116.13 3ikm n TYR 478 Ca -0.11 0.02 -0.13 0.00 3.31 0.00 0.00 57.90 60.99 3ikm n TYR 478 Cb 0.36 -0.13 -0.09 0.00 0.49 0.00 0.00 39.34 39.97 3ikm n TYR 478 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 3ikm h ILE 479 N 0.00 0.00 -0.32 2.97 2.04 -1.41 -0.80 117.51 119.99 3ikm h ILE 479 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3ikm h ILE 479 Cb 0.01 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 3ikm h ILE 479 CO -0.02 0.00 -0.32 0.77 0.00 0.00 0.00 178.15 178.58 3ikm h SER 480 N -0.39 -1.11 0.10 1.72 4.64 0.52 0.37 113.55 119.40 3ikm h SER 480 Ca 0.06 0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.55 3ikm h SER 480 Cb 0.55 0.46 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 3ikm h SER 480 CO -0.51 -0.21 -0.37 0.77 -0.87 0.00 0.00 176.83 175.64 3ikm h SER 481 N -0.17 -1.09 -0.15 4.97 4.64 -1.22 -1.92 113.55 118.60 3ikm h SER 481 Ca 0.05 0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.52 3ikm h SER 481 Cb 0.31 0.41 -0.04 0.00 -0.31 0.00 0.00 62.40 62.78 3ikm h SER 481 CO -0.39 -0.45 -0.26 0.00 -0.87 0.00 0.00 176.83 174.86 3ikm h ALA 482 N -0.01 -0.56 -0.68 5.18 0.00 -0.78 -2.32 119.26 120.10 3ikm h ALA 482 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ikm h ALA 482 Cb 0.63 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 3ikm h ALA 482 CO -0.23 -0.68 -0.40 1.17 0.00 0.00 0.00 179.25 179.11 3ikm n LYS 483 N -3.94 -0.30 0.00 0.00 3.00 0.13 -3.34 118.16 113.70 3ikm n LYS 483 Ca -0.02 1.26 0.00 0.00 -0.00 0.00 0.00 58.31 59.55 3ikm n LYS 483 Cb 0.16 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.33 3ikm n LYS 483 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ikm n ASN 484 N -4.56 0.00 0.00 3.14 4.13 -0.74 -5.08 115.26 112.15 3ikm n ASN 484 Ca 0.01 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.66 3ikm n ASN 484 Cb 0.18 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 3ikm n ASN 484 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09