#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikj h PRO 61 N 0.00 -0.47 0.00 5.56 0.11 -1.93 -3.46 132.00 131.81 3ikj h PRO 61 Ca 0.00 0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.16 3ikj h PRO 61 Cb 0.00 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 3ikj h PRO 61 CO 0.00 -0.31 -0.02 0.41 -0.21 0.00 0.00 178.00 177.87 3ikj n GLY 62 N -1.33 -1.58 3.06 -0.55 0.00 -1.26 -4.98 105.19 98.56 3ikj n GLY 62 Ca -0.09 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 3ikj n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ikj s GLU 63 N -0.14 0.29 -1.17 1.61 0.41 -1.26 -5.09 118.70 113.36 3ikj s GLU 63 Ca 0.00 0.01 -0.23 0.00 -0.41 0.00 0.00 54.97 54.35 3ikj s GLU 63 Cb 0.00 0.13 -0.08 0.00 -1.78 0.00 0.00 34.13 32.40 3ikj s GLU 63 CO 0.00 -0.05 1.93 -2.14 -0.49 0.00 0.00 175.26 174.50 3ikj s PRO 64 N -0.41 2.54 -0.01 0.39 0.02 -1.26 -4.83 135.00 131.44 3ikj s PRO 64 Ca -0.05 -1.13 -0.00 0.00 0.02 0.00 0.00 61.00 59.84 3ikj s PRO 64 Cb -0.03 -5.24 -0.04 0.00 0.02 0.00 0.00 34.50 29.21 3ikj s PRO 64 CO 0.01 -3.89 0.07 0.08 -0.33 0.00 0.00 177.00 172.94 3ikj s VAL 65 N 10.75 4.68 0.88 3.83 1.01 -1.26 -5.11 120.40 135.18 3ikj s VAL 65 Ca 0.68 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 3ikj s VAL 65 Cb -0.01 -3.13 0.12 0.00 0.00 0.00 0.00 36.38 33.36 3ikj s VAL 65 CO 0.12 0.36 1.12 -0.69 0.00 0.00 0.00 175.10 176.01 3ikj s VAL 66 N -1.17 2.40 0.00 2.92 1.01 -1.26 -4.40 120.40 119.90 3ikj s VAL 66 Ca 0.22 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3ikj s VAL 66 Cb -0.12 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3ikj s VAL 66 CO 0.13 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3ikj n GLY 67 N -1.98 1.31 2.46 4.51 0.00 -1.26 -4.80 105.19 105.43 3ikj n GLY 67 Ca 0.07 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 3ikj n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ikj n THR 68 N 0.00 0.56 -0.68 2.61 -1.04 -1.26 -5.01 114.28 109.45 3ikj n THR 68 Ca 0.00 -4.41 0.00 0.00 -2.04 0.00 0.00 64.05 57.60 3ikj n THR 68 Cb 0.00 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 3ikj n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ikj n GLY 69 N 1.70 -2.60 0.37 3.41 0.00 0.95 -4.13 105.19 104.89 3ikj n GLY 69 Ca 0.25 -1.65 0.20 0.00 0.00 0.00 0.00 46.02 44.82 3ikj n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikj h ALA 70 N 0.00 2.23 -0.72 4.61 0.00 -1.77 -3.43 119.26 120.18 3ikj h ALA 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ikj h ALA 70 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ikj h ALA 70 CO 0.00 -0.58 0.00 -1.13 0.00 0.00 0.00 179.25 177.54 3ikj n SER 71 N -4.03 -0.48 -4.64 0.00 3.41 -1.26 -4.45 113.62 102.17 3ikj n SER 71 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 3ikj n SER 71 Cb 0.55 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3ikj n SER 71 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ikj s LEU 72 N -0.39 3.96 0.00 1.04 0.20 -1.26 -4.96 118.68 117.27 3ikj s LEU 72 Ca 0.00 1.31 0.00 0.00 0.69 0.00 0.00 54.13 56.13 3ikj s LEU 72 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 3ikj s LEU 72 CO 0.00 -0.98 0.00 -1.54 -0.29 0.00 0.00 176.35 173.54 3ikj n SER 73 N 7.31 0.35 -3.64 3.68 3.41 -1.26 -0.96 113.62 122.51 3ikj n SER 73 Ca 0.14 -0.92 -0.12 0.00 -0.26 0.00 0.00 58.87 57.71 3ikj n SER 73 Cb 0.46 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3ikj n SER 73 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ikj s VAL 74 N -1.73 0.06 -0.00 -3.33 1.01 -0.59 -4.72 120.40 111.09 3ikj s VAL 74 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3ikj s VAL 74 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3ikj s VAL 74 CO 0.00 -0.25 0.08 -1.61 0.00 0.00 0.00 175.10 173.31 3ikj s GLU 75 N -2.83 3.05 -0.22 2.72 2.02 -1.26 -2.18 118.70 120.00 3ikj s GLU 75 Ca -0.03 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 3ikj s GLU 75 Cb -0.00 -2.85 0.07 0.00 0.10 0.00 0.00 34.13 31.45 3ikj s GLU 75 CO -0.05 0.64 0.04 -0.51 0.02 0.00 0.00 175.26 175.40 3ikj s LEU 76 N -1.74 1.54 0.00 1.80 1.43 -0.32 -4.96 118.68 116.44 3ikj s LEU 76 Ca 0.23 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 3ikj s LEU 76 Cb -0.12 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.38 3ikj s LEU 76 CO 0.14 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3ikj n GLY 77 N 4.97 -1.13 3.71 -3.19 0.00 -1.26 -2.35 105.19 105.95 3ikj n GLY 77 Ca -0.08 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 3ikj n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ikj n PRO 78 N 0.00 1.90 -0.57 1.61 -0.02 -1.26 -3.29 135.00 133.38 3ikj n PRO 78 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3ikj n PRO 78 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 3ikj n PRO 78 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3ikj n ARG 79 N -0.20 0.00 -0.21 -0.52 0.00 -1.26 -4.85 116.66 109.62 3ikj n ARG 79 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.84 3ikj n ARG 79 Cb 0.41 -1.46 0.03 0.00 0.00 0.00 0.00 32.46 31.44 3ikj n ARG 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3ikj h LEU 80 N 0.00 0.89 -9.81 6.15 3.38 -1.91 -3.43 115.31 110.59 3ikj h LEU 80 Ca 0.00 -0.22 -0.55 0.00 0.09 0.00 0.00 57.88 57.20 3ikj h LEU 80 Cb 0.00 -0.23 0.19 0.00 0.09 0.00 0.00 40.66 40.70 3ikj h LEU 80 CO 0.00 0.87 -0.21 0.18 0.09 0.00 0.00 178.44 179.37 3ikj n LEU 81 N -4.38 1.78 -0.34 1.67 4.77 -1.26 -1.93 117.00 117.30 3ikj n LEU 81 Ca 0.03 0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 56.54 3ikj n LEU 81 Cb 0.22 -1.30 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 3ikj n LEU 81 CO 0.40 -2.75 -0.04 0.35 -1.33 0.00 0.00 177.39 174.02 3ikj n THR 82 N -2.70 0.00 -4.35 -5.08 -2.24 -0.39 -4.97 114.28 94.55 3ikj n THR 82 Ca 0.11 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 3ikj n THR 82 Cb 0.50 -1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 67.56 3ikj n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ikj s SER 83 N -2.20 4.05 -0.10 3.42 0.15 -0.81 -4.99 113.70 113.22 3ikj s SER 83 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.93 3ikj s SER 83 Cb 0.00 -0.59 0.02 0.00 -1.71 0.00 0.00 66.02 63.74 3ikj s SER 83 CO 0.00 0.07 -0.07 -0.63 1.20 0.00 0.00 173.24 173.81 3ikj s ILE 84 N -1.98 0.94 0.32 6.45 1.09 -1.26 -1.52 121.20 125.23 3ikj s ILE 84 Ca 0.27 -0.27 0.04 0.00 -1.10 0.00 0.00 60.65 59.59 3ikj s ILE 84 Cb -0.07 -0.95 -0.06 0.00 -1.06 0.00 0.00 42.46 40.31 3ikj s ILE 84 CO 0.15 0.34 0.05 -0.31 -0.10 0.00 0.00 174.94 175.08 3ikj s TYR 85 N 1.49 1.94 0.28 3.97 2.02 -0.24 -3.77 117.35 123.04 3ikj s TYR 85 Ca 0.00 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.75 3ikj s TYR 85 Cb -0.13 -1.25 -0.00 0.00 -0.40 0.00 0.00 41.96 40.17 3ikj s TYR 85 CO -0.05 0.00 0.00 -0.40 -1.57 0.00 0.00 175.55 173.53 3ikj n ASP 86 N -0.67 2.75 -0.39 2.29 5.68 -1.25 -0.47 116.55 124.50 3ikj n ASP 86 Ca -0.02 -2.23 0.31 0.00 -0.50 0.00 0.00 54.79 52.35 3ikj n ASP 86 Cb 0.66 0.20 0.59 0.00 -1.14 0.00 0.00 41.12 41.43 3ikj n ASP 86 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3ikj h GLY 87 N 0.68 1.33 0.00 6.12 0.00 -1.75 -3.35 103.07 106.09 3ikj h GLY 87 Ca -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3ikj h GLY 87 CO 0.38 -0.31 0.00 1.39 0.00 0.00 0.00 176.54 178.00 3ikj n ILE 88 N -4.70 0.00 -2.72 2.60 -0.00 -1.26 -2.93 119.36 110.35 3ikj n ILE 88 Ca 0.32 0.00 -0.24 0.00 -0.00 0.00 0.00 62.75 62.83 3ikj n ILE 88 Cb 1.19 -1.23 -0.01 0.00 -0.00 0.00 0.00 39.64 39.60 3ikj n ILE 88 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 3ikj n GLN 89 N 0.00 2.86 -4.50 0.38 7.27 -1.26 -4.90 117.38 117.23 3ikj n GLN 89 Ca 0.00 -4.37 -0.31 0.00 0.07 0.00 0.00 57.00 52.39 3ikj n GLN 89 Cb 0.00 -2.07 -0.11 0.00 2.41 0.00 0.00 30.24 30.47 3ikj n GLN 89 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 3ikj s ARG 90 N -3.37 2.21 1.00 3.69 1.70 -1.26 -3.99 118.95 118.94 3ikj s ARG 90 Ca 0.45 -0.92 -0.12 0.00 -0.47 0.00 0.00 55.73 54.67 3ikj s ARG 90 Cb 0.36 -2.30 0.19 0.00 -0.57 0.00 0.00 34.95 32.63 3ikj s ARG 90 CO -0.13 0.55 1.08 -2.14 -1.08 0.00 0.00 175.30 173.58 3ikj s PRO 91 N -1.61 0.40 0.04 3.89 0.02 -1.26 -3.78 135.00 132.71 3ikj s PRO 91 Ca 0.17 1.04 -0.26 0.00 0.02 0.00 0.00 61.00 61.98 3ikj s PRO 91 Cb -0.11 -1.69 -0.13 0.00 0.02 0.00 0.00 34.50 32.58 3ikj s PRO 91 CO 0.08 -2.89 0.64 1.47 -0.33 0.00 0.00 177.00 175.96 3ikj n LEU 92 N -4.36 -0.27 -3.38 -5.54 -0.00 -1.25 -3.65 117.00 98.55 3ikj n LEU 92 Ca 0.07 0.81 -0.20 0.00 -0.00 0.00 0.00 56.01 56.69 3ikj n LEU 92 Cb 0.54 -0.65 0.08 0.00 -0.00 0.00 0.00 43.42 43.38 3ikj n LEU 92 CO 0.54 -1.58 0.19 -0.62 -0.00 0.00 0.00 177.39 175.93 3ikj n GLU 93 N 0.95 -7.09 -4.65 1.47 1.02 -1.26 -5.04 120.64 106.05 3ikj n GLU 93 Ca 0.14 0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 57.73 3ikj n GLU 93 Cb 0.09 -5.69 -0.13 0.00 -0.02 0.00 0.00 31.44 25.69 3ikj n GLU 93 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ikj s VAL 94 N -3.32 3.38 0.30 2.62 -7.23 -1.24 -5.09 120.40 109.82 3ikj s VAL 94 Ca 0.35 -0.55 -0.23 0.00 -1.81 0.00 0.00 61.98 59.75 3ikj s VAL 94 Cb -0.16 -2.44 -0.15 0.00 0.56 0.00 0.00 36.38 34.20 3ikj s VAL 94 CO 0.69 0.52 0.25 0.00 -0.31 0.00 0.00 175.10 176.25 3ikj n ILE 95 N 3.38 1.14 -5.12 -0.62 0.00 -1.26 -4.99 119.36 111.89 3ikj n ILE 95 Ca -0.18 -0.47 -0.32 0.00 0.00 0.00 0.00 62.75 61.78 3ikj n ILE 95 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 39.64 40.01 3ikj n ILE 95 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3ikj s ARG 96 N -0.94 2.88 0.58 9.51 1.81 -1.26 -4.84 118.95 126.70 3ikj s ARG 96 Ca 0.57 -0.83 -0.17 0.00 -1.72 0.00 0.00 55.73 53.58 3ikj s ARG 96 Cb -0.71 -2.32 -0.04 0.00 -0.45 0.00 0.00 34.95 31.42 3ikj s ARG 96 CO 0.56 0.30 1.07 -1.83 -0.68 0.00 0.00 175.30 174.73 3ikj s GLU 97 N 0.06 3.29 0.74 3.54 4.04 -1.26 -4.69 118.70 124.42 3ikj s GLU 97 Ca -0.09 1.31 -0.11 0.00 0.04 0.00 0.00 54.97 56.12 3ikj s GLU 97 Cb -0.15 -2.02 0.03 0.00 0.02 0.00 0.00 34.13 32.01 3ikj s GLU 97 CO 0.06 -0.85 1.09 0.21 -1.84 0.00 0.00 175.26 173.92 3ikj s LYS 98 N -3.86 2.57 0.00 -4.83 2.36 -1.20 -3.87 119.74 110.91 3ikj s LYS 98 Ca 0.66 0.66 0.00 0.00 -2.55 0.00 0.00 55.97 54.74 3ikj s LYS 98 Cb -0.18 -1.97 0.00 0.00 -1.05 0.00 0.00 37.83 34.63 3ikj s LYS 98 CO 0.34 -1.28 0.00 2.41 1.55 0.00 0.00 175.35 178.37 3ikj n THR 99 N -3.21 0.00 0.00 3.43 -1.04 -1.26 -3.38 114.28 108.82 3ikj n THR 99 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3ikj n THR 99 Cb 0.56 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 3ikj n THR 99 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ikj n GLY 100 N 5.00 4.59 0.18 3.41 0.00 -1.23 -4.68 105.19 112.47 3ikj n GLY 100 Ca 0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 3ikj n GLY 100 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ikj h ASP 101 N 0.00 0.51 -0.42 1.61 3.04 -2.03 -3.30 116.42 115.83 3ikj h ASP 101 Ca 0.00 -0.13 -0.06 0.00 -3.24 0.00 0.00 57.03 53.60 3ikj h ASP 101 Cb 0.00 -0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 38.14 3ikj h ASP 101 CO 0.00 0.50 0.02 2.19 -2.04 0.00 0.00 179.24 179.91 3ikj h PHE 102 N 0.49 0.79 -2.50 4.15 -5.15 -1.95 -3.44 116.94 109.33 3ikj h PHE 102 Ca 0.13 -0.13 0.15 0.00 -0.20 0.00 0.00 57.97 57.92 3ikj h PHE 102 Cb 0.13 -0.21 -0.07 0.00 0.22 0.00 0.00 35.95 36.02 3ikj h PHE 102 CO -0.01 0.78 0.43 0.42 -2.00 0.00 0.00 178.31 177.93 3ikj s ILE 103 N -5.06 0.00 -0.03 0.88 1.09 -1.24 -0.04 121.20 116.80 3ikj s ILE 103 Ca -0.13 -0.74 -0.07 0.00 -1.10 0.00 0.00 60.65 58.61 3ikj s ILE 103 Cb 0.10 -2.06 0.01 0.00 -1.06 0.00 0.00 42.46 39.45 3ikj s ILE 103 CO 0.80 0.00 0.16 0.00 -0.10 0.00 0.00 174.94 175.79 3ikj s ALA 104 N -3.35 -0.38 -0.15 9.38 0.00 -1.26 -3.52 121.76 122.48 3ikj s ALA 104 Ca 0.13 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3ikj s ALA 104 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3ikj s ALA 104 CO 0.04 -0.15 -0.17 0.50 0.00 0.00 0.00 175.76 175.97 3ikj s ARG 105 N -0.74 3.15 -0.10 0.00 3.52 -1.22 -4.17 118.95 119.39 3ikj s ARG 105 Ca -0.08 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.71 3ikj s ARG 105 Cb -0.05 -2.57 0.04 0.00 -1.56 0.00 0.00 34.95 30.81 3ikj s ARG 105 CO 0.01 0.00 0.02 0.20 -0.81 0.00 0.00 175.30 174.72 3ikj s GLY 106 N 0.83 0.49 -0.18 8.12 0.00 -1.26 -3.24 107.32 112.08 3ikj s GLY 106 Ca -0.05 -0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.23 3ikj s GLY 106 CO -0.01 1.27 0.60 0.14 0.00 0.00 0.00 173.10 175.11 3ikj s VAL 107 N 1.98 5.05 0.00 1.40 1.01 -1.26 -4.95 120.40 123.63 3ikj s VAL 107 Ca 0.03 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3ikj s VAL 107 Cb -0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3ikj s VAL 107 CO -0.06 0.15 0.00 0.41 0.00 0.00 0.00 175.10 175.60 3ikj n THR 108 N 4.53 0.00 -3.93 3.92 -1.04 -1.26 -4.74 114.28 111.76 3ikj n THR 108 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3ikj n THR 108 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3ikj n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ikj n ALA 109 N -3.00 0.00 -2.04 2.41 0.00 -1.26 -4.62 120.51 111.99 3ikj n ALA 109 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3ikj n ALA 109 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3ikj n ALA 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ikj s PRO 110 N -1.79 4.35 0.06 0.00 0.04 -1.26 -1.79 135.00 134.61 3ikj s PRO 110 Ca 0.00 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.10 3ikj s PRO 110 Cb 0.00 -2.94 -0.22 0.00 0.04 0.00 0.00 34.50 31.37 3ikj s PRO 110 CO 0.00 0.42 1.05 0.00 0.04 0.00 0.00 177.00 178.51 3ikj h ALA 111 N 3.57 0.48 -3.86 8.56 0.00 -1.99 -3.39 119.26 122.63 3ikj h ALA 111 Ca -0.48 -1.11 -0.44 0.00 0.00 0.00 0.00 54.91 52.89 3ikj h ALA 111 Cb 1.20 0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.76 3ikj h ALA 111 CO 0.65 1.35 -0.79 -0.51 0.00 0.00 0.00 179.25 179.95 3ikj s LEU 112 N -6.53 1.83 0.07 0.00 1.02 -1.26 -4.91 118.68 108.89 3ikj s LEU 112 Ca -0.02 -0.20 -0.31 0.00 0.02 0.00 0.00 54.13 53.63 3ikj s LEU 112 Cb 0.09 -0.58 -0.09 0.00 0.02 0.00 0.00 46.19 45.63 3ikj s LEU 112 CO 0.82 0.08 1.77 -2.16 0.02 0.00 0.00 176.35 176.89 3ikj s PRO 113 N 0.12 4.16 0.00 1.29 0.04 -1.26 -4.85 135.00 134.51 3ikj s PRO 113 Ca -0.02 2.46 0.30 0.00 0.04 0.00 0.00 61.00 63.78 3ikj s PRO 113 Cb -0.08 -3.76 1.50 0.00 0.04 0.00 0.00 34.50 32.21 3ikj s PRO 113 CO 0.00 -0.83 2.05 0.54 0.04 0.00 0.00 177.00 178.80 3ikj n ARG 114 N 6.20 0.41 -0.00 4.56 5.12 -1.26 -3.54 116.66 128.15 3ikj n ARG 114 Ca 0.17 -0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.16 3ikj n ARG 114 Cb 0.40 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.12 3ikj n ARG 114 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3ikj n ASP 115 N -1.29 0.85 -4.77 0.55 5.75 -1.26 -4.39 116.55 112.00 3ikj n ASP 115 Ca 0.14 -0.67 -0.40 0.00 -0.01 0.00 0.00 54.79 53.85 3ikj n ASP 115 Cb 0.25 1.12 -0.06 0.00 -1.03 0.00 0.00 41.12 41.40 3ikj n ASP 115 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3ikj s LYS 116 N -2.44 4.65 -0.27 0.11 2.20 -1.23 -4.99 119.74 117.76 3ikj s LYS 116 Ca 0.03 1.26 -0.10 0.00 -0.36 0.00 0.00 55.97 56.79 3ikj s LYS 116 Cb 0.10 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 33.10 3ikj s LYS 116 CO 0.58 0.54 0.17 0.15 -0.36 0.00 0.00 175.35 176.43 3ikj s LYS 117 N -1.11 3.93 -0.06 4.03 1.02 -1.26 -4.05 119.74 122.24 3ikj s LYS 117 Ca 0.37 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 56.05 3ikj s LYS 117 Cb -0.24 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 3ikj s LYS 117 CO 0.28 -0.14 -0.10 -1.58 -0.92 0.00 0.00 175.35 172.88 3ikj s TRP 118 N 1.64 2.84 -0.66 3.18 0.52 0.60 -4.75 118.94 122.30 3ikj s TRP 118 Ca 0.07 -0.05 -0.24 0.00 0.02 0.00 0.00 56.10 55.90 3ikj s TRP 118 Cb -0.16 -1.67 0.06 0.00 -1.15 0.00 0.00 33.47 30.55 3ikj s TRP 118 CO 0.09 0.27 1.04 -1.58 0.02 0.00 0.00 176.95 176.80 3ikj s HIS 119 N -0.78 2.59 0.08 -1.98 5.65 -1.26 -0.44 115.29 119.15 3ikj s HIS 119 Ca 0.12 -0.33 -0.30 0.00 0.25 0.00 0.00 55.06 54.80 3ikj s HIS 119 Cb -0.11 -4.35 -0.05 0.00 -1.18 0.00 0.00 32.58 26.89 3ikj s HIS 119 CO 0.01 -1.71 1.06 0.12 -0.65 0.00 0.00 174.74 173.57 3ikj s PHE 120 N 4.48 3.62 -0.23 3.88 2.19 0.42 -4.19 117.98 128.15 3ikj s PHE 120 Ca 0.27 1.60 0.02 0.00 0.33 0.00 0.00 56.93 59.15 3ikj s PHE 120 Cb -0.14 -3.22 0.04 0.00 -1.31 0.00 0.00 43.02 38.40 3ikj s PHE 120 CO 0.13 -0.42 -0.14 0.42 1.83 0.00 0.00 175.22 177.04 3ikj s ILE 121 N 0.51 2.07 0.59 3.12 1.01 0.37 -2.57 121.20 126.30 3ikj s ILE 121 Ca 0.52 -1.33 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 3ikj s ILE 121 Cb -0.26 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3ikj s ILE 121 CO 0.30 0.18 1.07 -2.16 0.00 0.00 0.00 174.94 174.34 3ikj s PRO 122 N 1.20 3.27 0.00 2.79 0.04 -1.26 0.25 135.00 141.29 3ikj s PRO 122 Ca -0.03 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.28 3ikj s PRO 122 Cb -0.17 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3ikj s PRO 122 CO -0.08 -0.86 0.44 1.63 0.04 0.00 0.00 177.00 178.17 3ikj n LYS 123 N -1.96 0.39 -4.24 4.56 4.76 0.30 -4.82 118.16 117.16 3ikj n LYS 123 Ca 0.09 -0.53 -0.15 0.00 -2.87 0.00 0.00 58.31 54.86 3ikj n LYS 123 Cb 0.53 -0.66 -0.10 0.00 -1.84 0.00 0.00 35.03 32.96 3ikj n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ikj s ALA 124 N -0.18 1.42 0.20 7.82 0.00 -0.86 -4.86 121.76 125.30 3ikj s ALA 124 Ca 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 50.61 3ikj s ALA 124 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3ikj s ALA 124 CO 0.00 -0.04 -0.11 -1.59 0.00 0.00 0.00 175.76 174.02 3ikj s LYS 125 N -3.37 1.28 0.08 0.00 -2.85 -1.26 -4.99 119.74 108.64 3ikj s LYS 125 Ca 0.13 -1.59 -0.32 0.00 -1.00 0.00 0.00 55.97 53.20 3ikj s LYS 125 Cb 0.00 -0.93 -0.11 0.00 -2.06 0.00 0.00 37.83 34.73 3ikj s LYS 125 CO 0.01 0.10 1.81 0.28 0.10 0.00 0.00 175.35 177.66 3ikj n VAL 126 N -0.36 0.37 0.00 1.79 0.31 -1.26 -0.41 118.33 118.77 3ikj n VAL 126 Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3ikj n VAL 126 Cb 0.61 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3ikj n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ikj n GLY 127 N 4.14 2.78 3.75 2.92 0.00 0.08 -5.02 105.19 113.84 3ikj n GLY 127 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3ikj n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ikj s ASP 128 N -1.35 7.28 0.25 1.61 1.01 0.46 -4.74 116.67 121.19 3ikj s ASP 128 Ca 0.00 2.21 -0.28 0.00 0.71 0.00 0.00 52.55 55.19 3ikj s ASP 128 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 3ikj s ASP 128 CO 0.00 -0.15 0.91 -0.54 0.21 0.00 0.00 175.17 175.60 3ikj s LYS 129 N -1.14 4.73 0.05 8.23 -0.14 -1.26 -1.62 119.74 128.58 3ikj s LYS 129 Ca 0.46 1.38 -0.00 0.00 -1.36 0.00 0.00 55.97 56.45 3ikj s LYS 129 Cb -0.31 -3.12 -0.03 0.00 -1.68 0.00 0.00 37.83 32.68 3ikj s LYS 129 CO 0.39 0.45 -0.04 0.14 -0.76 0.00 0.00 175.35 175.54 3ikj s VAL 130 N -1.31 0.26 0.29 3.17 -7.23 -0.23 -4.97 120.40 110.37 3ikj s VAL 130 Ca 0.43 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 3ikj s VAL 130 Cb -0.23 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 3ikj s VAL 130 CO 0.29 -0.83 0.10 0.68 -0.31 0.00 0.00 175.10 175.02 3ikj s VAL 131 N -3.16 0.65 0.52 1.32 -7.23 -1.26 -1.36 120.40 109.87 3ikj s VAL 131 Ca 0.01 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.95 3ikj s VAL 131 Cb 0.02 -2.63 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 3ikj s VAL 131 CO -0.07 0.00 1.35 0.61 -0.31 0.00 0.00 175.10 176.68 3ikj n GLY 132 N -0.55 0.75 2.35 2.32 0.00 -0.62 -1.81 105.19 107.63 3ikj n GLY 132 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ikj n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikj n GLY 133 N 0.75 3.16 3.76 -0.02 0.00 0.65 -2.07 105.19 111.41 3ikj n GLY 133 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3ikj n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ikj s ASP 134 N -0.86 5.53 -0.27 1.61 1.01 -0.75 -4.60 116.67 118.34 3ikj s ASP 134 Ca 0.00 2.71 -0.09 0.00 0.71 0.00 0.00 52.55 55.88 3ikj s ASP 134 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3ikj s ASP 134 CO 0.00 -1.39 0.11 -0.63 0.21 0.00 0.00 175.17 173.48 3ikj s ILE 135 N -1.33 4.56 -0.44 0.77 1.01 -1.26 -0.84 121.20 123.66 3ikj s ILE 135 Ca 0.68 -0.20 0.13 0.00 0.00 0.00 0.00 60.65 61.26 3ikj s ILE 135 Cb -0.39 -3.20 -0.15 0.00 0.01 0.00 0.00 42.46 38.73 3ikj s ILE 135 CO 0.47 0.24 0.47 2.30 0.00 0.00 0.00 174.94 178.42 3ikj n ILE 136 N 4.96 0.00 -3.66 2.92 -5.35 0.51 -4.61 119.36 114.14 3ikj n ILE 136 Ca -0.15 -0.23 -0.00 0.00 -0.27 0.00 0.00 62.75 62.10 3ikj n ILE 136 Cb 0.51 0.80 0.01 0.00 -1.74 0.00 0.00 39.64 39.21 3ikj n ILE 136 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ikj n GLY 137 N 1.42 0.93 3.21 3.28 0.00 -1.20 0.11 105.19 112.94 3ikj n GLY 137 Ca 0.01 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 3ikj n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ikj s GLU 138 N -2.01 1.08 -0.27 1.61 2.02 0.14 0.31 118.70 121.58 3ikj s GLU 138 Ca 0.07 -0.93 -0.02 0.00 0.02 0.00 0.00 54.97 54.11 3ikj s GLU 138 Cb -0.01 -1.18 0.09 0.00 0.10 0.00 0.00 34.13 33.13 3ikj s GLU 138 CO 0.01 0.29 0.08 0.08 0.02 0.00 0.00 175.26 175.73 3ikj s VAL 139 N -0.97 0.65 -0.45 2.63 1.01 -0.46 -0.48 120.40 122.33 3ikj s VAL 139 Ca 0.04 -1.02 -0.32 0.00 0.00 0.00 0.00 61.98 60.68 3ikj s VAL 139 Cb -0.09 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.82 3ikj s VAL 139 CO 0.02 -0.51 2.31 -2.65 0.00 0.00 0.00 175.10 174.27 3ikj n PRO 140 N 4.97 1.04 -0.08 2.72 -0.02 -1.26 -0.48 135.00 141.89 3ikj n PRO 140 Ca -0.05 0.22 -0.06 0.00 -2.02 0.00 0.00 63.50 61.58 3ikj n PRO 140 Cb 0.44 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 3ikj n PRO 140 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ikj n GLU 141 N 8.49 0.48 -2.45 -0.52 2.13 -0.85 -4.83 120.64 123.08 3ikj n GLU 141 Ca 0.42 0.43 -0.11 0.00 0.66 0.00 0.00 57.16 58.57 3ikj n GLU 141 Cb 0.30 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.40 3ikj n GLU 141 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3ikj n THR 142 N -4.57 0.00 0.54 6.31 -2.24 -1.15 -4.92 114.28 108.25 3ikj n THR 142 Ca -0.09 -0.91 0.12 0.00 -2.27 0.00 0.00 64.05 60.90 3ikj n THR 142 Cb 0.34 -0.32 0.45 0.00 -2.10 0.00 0.00 70.33 68.71 3ikj n THR 142 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ikj n SER 143 N -1.96 0.70 -0.12 3.42 3.41 -1.26 -3.90 113.62 113.91 3ikj n SER 143 Ca -0.01 0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 58.99 3ikj n SER 143 Cb 0.26 -0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 63.34 3ikj n SER 143 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3ikj n ILE 144 N -2.21 1.52 -3.80 -1.33 5.41 -1.26 -4.99 119.36 112.71 3ikj n ILE 144 Ca 0.04 -0.15 -0.36 0.00 1.00 0.00 0.00 62.75 63.28 3ikj n ILE 144 Cb 0.33 -2.03 -0.11 0.00 -0.71 0.00 0.00 39.64 37.12 3ikj n ILE 144 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3ikj s ILE 145 N -2.47 4.79 -0.01 1.39 -1.09 -1.25 -5.06 121.20 117.50 3ikj s ILE 145 Ca -0.32 -0.02 -0.30 0.00 -2.23 0.00 0.00 60.65 57.78 3ikj s ILE 145 Cb 0.09 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 3ikj s ILE 145 CO 0.50 0.36 1.14 -0.69 -1.23 0.00 0.00 174.94 175.02 3ikj s VAL 146 N 1.17 4.36 -0.10 2.92 1.01 -1.26 -2.01 120.40 126.50 3ikj s VAL 146 Ca 0.05 1.69 -0.24 0.00 0.00 0.00 0.00 61.98 63.48 3ikj s VAL 146 Cb -0.14 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3ikj s VAL 146 CO 0.04 0.07 0.73 -2.28 0.00 0.00 0.00 175.10 173.66 3ikj s HIS 147 N 1.57 3.53 -0.28 5.22 2.46 0.37 -4.88 115.29 123.28 3ikj s HIS 147 Ca 0.55 1.24 -0.13 0.00 0.47 0.00 0.00 55.06 57.19 3ikj s HIS 147 Cb -0.25 -2.86 -0.04 0.00 -0.13 0.00 0.00 32.58 29.30 3ikj s HIS 147 CO 0.25 -0.00 0.28 0.15 -2.47 0.00 0.00 174.74 172.94 3ikj s LYS 148 N 1.17 3.96 -0.29 2.88 -0.14 -1.26 -1.36 119.74 124.71 3ikj s LYS 148 Ca 0.37 -0.17 -0.27 0.00 -1.36 0.00 0.00 55.97 54.54 3ikj s LYS 148 Cb -0.17 -3.66 0.01 0.00 -1.68 0.00 0.00 37.83 32.32 3ikj s LYS 148 CO 0.17 -0.24 0.97 0.42 -0.76 0.00 0.00 175.35 175.91 3ikj s ILE 149 N 1.90 4.65 -0.04 2.17 -1.09 0.15 -4.98 121.20 123.97 3ikj s ILE 149 Ca 0.11 1.65 0.06 0.00 -2.23 0.00 0.00 60.65 60.24 3ikj s ILE 149 Cb -0.16 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.40 3ikj s ILE 149 CO 0.11 -0.31 -0.20 -0.04 -1.23 0.00 0.00 174.94 173.26 3ikj s MET 150 N 3.29 2.31 0.17 2.79 -1.94 -1.26 -0.36 119.30 124.30 3ikj s MET 150 Ca 0.41 -0.82 -0.33 0.00 -1.71 0.00 0.00 55.69 53.24 3ikj s MET 150 Cb -0.14 -2.20 -0.13 0.00 2.01 0.00 0.00 34.83 34.37 3ikj s MET 150 CO 0.12 0.58 1.63 0.28 -0.01 0.00 0.00 175.02 177.62 3ikj n VAL 151 N 2.39 0.02 -1.73 -6.03 0.31 -0.02 -4.85 118.33 108.43 3ikj n VAL 151 Ca -0.17 -0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.78 3ikj n VAL 151 Cb 0.52 -1.69 0.05 0.00 -0.91 0.00 0.00 33.84 31.81 3ikj n VAL 151 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ikj n PRO 152 N 3.68 1.49 -1.75 5.55 -0.02 -1.26 -0.26 135.00 142.44 3ikj n PRO 152 Ca 0.17 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 3ikj n PRO 152 Cb 0.31 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.28 3ikj n PRO 152 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ikj n PRO 153 N -1.18 2.25 0.00 0.52 -0.04 -1.26 -2.50 135.00 132.79 3ikj n PRO 153 Ca 0.12 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 3ikj n PRO 153 Cb 0.45 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 3ikj n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikj n GLY 154 N 0.61 1.71 3.74 0.55 0.00 -1.26 -5.01 105.19 105.53 3ikj n GLY 154 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3ikj n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ikj s ILE 155 N -2.39 5.40 -0.02 -0.61 1.01 -1.04 -4.98 121.20 118.57 3ikj s ILE 155 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.74 3ikj s ILE 155 Cb 0.00 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 39.00 3ikj s ILE 155 CO 0.00 0.45 0.35 -1.83 0.00 0.00 0.00 174.94 173.91 3ikj s GLU 156 N 0.27 0.71 0.00 2.79 -1.05 -1.26 -1.59 118.70 118.57 3ikj s GLU 156 Ca 0.10 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 3ikj s GLU 156 Cb -0.11 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3ikj s GLU 156 CO -0.01 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 176.42 3ikj n GLY 157 N 1.24 -0.13 3.65 -3.83 0.00 -0.46 -4.17 105.19 101.48 3ikj n GLY 157 Ca -0.21 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 3ikj n GLY 157 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ikj s GLU 158 N -2.00 2.71 -0.46 1.61 2.12 -0.24 -1.07 118.70 121.38 3ikj s GLU 158 Ca 0.00 -0.64 -0.24 0.00 0.36 0.00 0.00 54.97 54.45 3ikj s GLU 158 Cb 0.00 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.80 3ikj s GLU 158 CO 0.00 0.62 0.84 0.42 -0.54 0.00 0.00 175.26 176.61 3ikj s ILE 159 N -1.04 4.57 -0.34 -3.70 1.01 -0.64 -0.73 121.20 120.34 3ikj s ILE 159 Ca 0.18 0.54 0.23 0.00 0.00 0.00 0.00 60.65 61.60 3ikj s ILE 159 Cb -0.11 -4.37 -0.07 0.00 0.01 0.00 0.00 42.46 37.91 3ikj s ILE 159 CO 0.09 -0.78 0.99 1.33 0.00 0.00 0.00 174.94 176.57 3ikj n VAL 160 N 6.25 0.39 -3.63 2.92 0.24 -0.45 -0.74 118.33 123.30 3ikj n VAL 160 Ca 0.04 -0.43 -0.05 0.00 -2.04 0.00 0.00 64.34 61.85 3ikj n VAL 160 Cb 0.48 -0.13 -0.06 0.00 -1.47 0.00 0.00 33.84 32.66 3ikj n VAL 160 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3ikj s GLU 161 N -3.32 0.63 -0.01 7.34 2.12 -1.17 -4.91 118.70 119.38 3ikj s GLU 161 Ca 0.00 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.51 3ikj s GLU 161 Cb 0.12 0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.79 3ikj s GLU 161 CO 0.80 -0.15 0.01 -1.50 -0.54 0.00 0.00 175.26 173.88 3ikj s ILE 162 N 1.84 0.06 0.80 -3.70 2.07 -1.26 0.24 121.20 121.24 3ikj s ILE 162 Ca -0.09 0.07 -0.16 0.00 -1.41 0.00 0.00 60.65 59.07 3ikj s ILE 162 Cb -0.06 -0.12 -0.06 0.00 0.13 0.00 0.00 42.46 42.35 3ikj s ILE 162 CO -0.19 0.07 0.15 0.00 -1.91 0.00 0.00 174.94 173.06 3ikj n ALA 163 N 3.68 -2.78 -2.64 1.50 0.00 0.60 -4.93 120.51 115.95 3ikj n ALA 163 Ca -0.21 -0.39 -0.23 0.00 0.00 0.00 0.00 53.44 52.61 3ikj n ALA 163 Cb 0.54 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 3ikj n ALA 163 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ikj s GLU 164 N -2.59 3.39 -0.22 0.00 2.02 -1.26 -4.70 118.70 115.34 3ikj s GLU 164 Ca 0.57 -0.46 -0.32 0.00 0.02 0.00 0.00 54.97 54.78 3ikj s GLU 164 Cb -0.30 -2.69 -0.09 0.00 0.10 0.00 0.00 34.13 31.15 3ikj s GLU 164 CO 0.66 0.12 2.14 -1.91 0.02 0.00 0.00 175.26 176.28 3ikj n GLU 165 N -1.77 1.76 -3.64 1.61 2.13 -1.26 -4.84 120.64 114.62 3ikj n GLU 165 Ca -0.04 0.53 -0.03 0.00 0.66 0.00 0.00 57.16 58.28 3ikj n GLU 165 Cb 0.57 -2.86 0.02 0.00 0.27 0.00 0.00 31.44 29.44 3ikj n GLU 165 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ikj n GLY 166 N 5.70 0.66 3.83 8.31 0.00 -1.06 -4.99 105.19 117.65 3ikj n GLY 166 Ca 0.32 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 3ikj n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ikj s ASP 167 N -3.21 6.86 -0.02 1.61 -0.00 -1.26 -0.44 116.67 120.21 3ikj s ASP 167 Ca 0.21 1.03 -0.20 0.00 -0.00 0.00 0.00 52.55 53.58 3ikj s ASP 167 Cb -0.03 -2.27 0.04 0.00 -0.00 0.00 0.00 42.92 40.66 3ikj s ASP 167 CO 0.05 0.29 0.43 -0.31 -0.00 0.00 0.00 175.17 175.63 3ikj s TYR 168 N -1.14 -0.33 0.54 4.23 2.02 0.42 -4.82 117.35 118.26 3ikj s TYR 168 Ca 0.27 0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 57.45 3ikj s TYR 168 Cb -0.17 0.20 0.01 0.00 -0.40 0.00 0.00 41.96 41.60 3ikj s TYR 168 CO 0.15 -0.48 0.79 0.95 -1.57 0.00 0.00 175.55 175.40 3ikj s THR 169 N -1.43 3.49 0.23 -0.71 -4.23 -1.26 -0.29 115.64 111.44 3ikj s THR 169 Ca -0.12 -0.34 0.14 0.00 -1.18 0.00 0.00 61.69 60.19 3ikj s THR 169 Cb -0.03 -3.34 0.05 0.00 1.34 0.00 0.00 72.50 70.51 3ikj s THR 169 CO 0.05 -0.29 1.67 0.16 -0.54 0.00 0.00 174.62 175.67 3ikj h ILE 170 N 0.06 1.19 0.00 2.99 3.07 -1.77 -2.68 117.51 120.37 3ikj h ILE 170 Ca -0.45 -1.84 0.00 0.00 1.55 0.00 0.00 64.86 64.12 3ikj h ILE 170 Cb 1.27 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 39.86 3ikj h ILE 170 CO 0.58 0.50 0.00 -0.33 -1.05 0.00 0.00 178.15 177.84 3ikj h GLU 171 N 0.00 0.00 -7.06 0.16 4.39 -1.94 -3.33 114.58 106.80 3ikj h GLU 171 Ca -0.01 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.16 3ikj h GLU 171 Cb 1.00 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.76 3ikj h GLU 171 CO 0.07 0.00 0.52 -1.21 -1.16 0.00 0.00 179.01 177.23 3ikj s GLU 172 N -3.57 3.22 -0.22 2.33 2.02 -1.01 -4.97 118.70 116.50 3ikj s GLU 172 Ca 0.02 1.96 -0.20 0.00 0.02 0.00 0.00 54.97 56.76 3ikj s GLU 172 Cb 0.09 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 3ikj s GLU 172 CO 0.46 -1.04 0.62 0.08 0.02 0.00 0.00 175.26 175.40 3ikj s VAL 173 N -1.48 5.01 -1.44 2.63 1.01 -1.26 -4.29 120.40 120.58 3ikj s VAL 173 Ca 0.72 1.15 0.17 0.00 0.00 0.00 0.00 61.98 64.02 3ikj s VAL 173 Cb -0.33 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3ikj s VAL 173 CO 0.39 0.08 0.85 2.30 0.00 0.00 0.00 175.10 178.72 3ikj n ILE 174 N 4.91 0.00 -3.49 2.22 -6.64 0.67 -4.77 119.36 112.25 3ikj n ILE 174 Ca -0.01 -0.31 -0.12 0.00 -1.77 0.00 0.00 62.75 60.55 3ikj n ILE 174 Cb 0.49 1.18 -0.03 0.00 -1.44 0.00 0.00 39.64 39.84 3ikj n ILE 174 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3ikj s ALA 175 N -2.00 -1.75 -0.03 -1.28 0.00 -1.06 0.22 121.76 115.86 3ikj s ALA 175 Ca 0.13 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.12 3ikj s ALA 175 Cb 0.13 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 3ikj s ALA 175 CO 0.44 -0.61 -0.19 0.15 0.00 0.00 0.00 175.76 175.55 3ikj s LYS 176 N -2.72 1.70 -0.10 0.00 1.02 0.64 -0.83 119.74 119.45 3ikj s LYS 176 Ca -0.00 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.33 3ikj s LYS 176 Cb -0.01 -1.57 0.01 0.00 -0.52 0.00 0.00 37.83 35.74 3ikj s LYS 176 CO -0.06 0.37 -0.19 0.08 -0.92 0.00 0.00 175.35 174.63 3ikj s VAL 177 N -0.31 1.75 -0.33 3.17 1.01 0.11 -1.34 120.40 124.46 3ikj s VAL 177 Ca 0.04 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 3ikj s VAL 177 Cb -0.09 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3ikj s VAL 177 CO 0.00 0.49 0.42 -0.75 0.00 0.00 0.00 175.10 175.27 3ikj s LYS 178 N 0.64 3.69 0.87 2.72 2.20 0.10 0.44 119.74 130.40 3ikj s LYS 178 Ca -0.13 -0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.15 3ikj s LYS 178 Cb -0.16 -3.77 0.11 0.00 -1.51 0.00 0.00 37.83 32.50 3ikj s LYS 178 CO 0.03 -0.51 1.14 0.95 -0.36 0.00 0.00 175.35 176.61 3ikj s THR 179 N 2.17 2.16 0.51 3.43 -4.23 0.11 -1.07 115.64 118.72 3ikj s THR 179 Ca 0.15 0.05 0.17 0.00 -1.18 0.00 0.00 61.69 60.89 3ikj s THR 179 Cb -0.16 -2.86 0.30 0.00 1.34 0.00 0.00 72.50 71.12 3ikj s THR 179 CO 0.12 -0.07 2.11 -0.65 -0.54 0.00 0.00 174.62 175.58 3ikj h PRO 180 N -1.34 0.05 0.00 3.99 0.11 -1.89 0.09 132.00 133.02 3ikj h PRO 180 Ca -0.49 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3ikj h PRO 180 Cb 1.32 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ikj h PRO 180 CO 0.63 0.03 -0.07 1.03 -0.21 0.00 0.00 178.00 179.40 3ikj h SER 181 N 0.05 0.00 0.00 -2.05 0.87 -1.95 -3.46 113.55 107.01 3ikj h SER 181 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3ikj h SER 181 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3ikj h SER 181 CO -0.01 0.07 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 3ikj n GLY 182 N -0.63 1.52 3.68 5.77 0.00 0.02 -5.06 105.19 110.48 3ikj n GLY 182 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 3ikj n GLY 182 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ikj n GLU 183 N -1.16 2.30 -3.38 1.61 2.13 -1.26 -4.50 120.64 116.39 3ikj n GLU 183 Ca 0.00 0.83 -0.40 0.00 0.66 0.00 0.00 57.16 58.25 3ikj n GLU 183 Cb 0.00 -2.60 -0.09 0.00 0.27 0.00 0.00 31.44 29.02 3ikj n GLU 183 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3ikj s ILE 184 N 0.83 5.15 -0.11 6.31 -1.09 -1.26 0.06 121.20 131.09 3ikj s ILE 184 Ca 0.76 0.35 -0.03 0.00 -2.23 0.00 0.00 60.65 59.50 3ikj s ILE 184 Cb -0.63 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 3ikj s ILE 184 CO 0.38 0.02 0.02 -0.54 -1.23 0.00 0.00 174.94 173.59 3ikj s LYS 185 N 2.09 3.21 -0.16 2.79 -0.14 0.17 -4.94 119.74 122.76 3ikj s LYS 185 Ca 0.14 -0.38 -0.03 0.00 -1.36 0.00 0.00 55.97 54.34 3ikj s LYS 185 Cb -0.16 -2.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.08 3ikj s LYS 185 CO 0.11 0.62 -0.06 -1.21 -0.76 0.00 0.00 175.35 174.05 3ikj s GLU 186 N -0.64 3.54 -0.09 1.68 2.02 -1.26 0.04 118.70 123.99 3ikj s GLU 186 Ca 0.11 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.53 3ikj s GLU 186 Cb -0.12 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 3ikj s GLU 186 CO 0.02 0.16 -0.13 -0.51 0.02 0.00 0.00 175.26 174.83 3ikj s LEU 187 N 0.55 2.78 0.00 1.80 1.43 -0.01 -5.03 118.68 120.20 3ikj s LEU 187 Ca -0.05 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3ikj s LEU 187 Cb -0.15 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.51 3ikj s LEU 187 CO 0.03 0.25 0.32 0.29 0.23 0.00 0.00 176.35 177.47 3ikj n LYS 188 N 2.95 0.87 0.00 1.70 5.02 -1.26 -0.24 118.16 127.19 3ikj n LYS 188 Ca -0.18 -2.62 0.13 0.00 -2.02 0.00 0.00 58.31 53.62 3ikj n LYS 188 Cb 0.52 0.27 0.79 0.00 -0.02 0.00 0.00 35.03 36.59 3ikj n LYS 188 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3ikj n MET 189 N -1.49 0.91 -4.32 1.97 2.81 -1.25 -4.82 117.12 110.92 3ikj n MET 189 Ca -0.01 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.69 3ikj n MET 189 Cb 0.48 -1.45 -0.09 0.00 -0.71 0.00 0.00 33.22 31.44 3ikj n MET 189 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 3ikj s TYR 190 N -2.00 1.59 0.28 2.03 1.13 -1.26 -4.27 117.35 114.86 3ikj s TYR 190 Ca 0.40 -1.42 -0.17 0.00 -1.41 0.00 0.00 57.07 54.46 3ikj s TYR 190 Cb 0.18 -0.81 0.02 0.00 -1.10 0.00 0.00 41.96 40.24 3ikj s TYR 190 CO 0.31 -0.59 0.65 1.14 -2.51 0.00 0.00 175.55 174.55 3ikj s GLN 191 N -3.78 1.77 0.09 -3.49 -2.07 -0.99 -4.92 119.66 106.27 3ikj s GLN 191 Ca 0.36 -1.14 0.08 0.00 -1.82 0.00 0.00 55.36 52.84 3ikj s GLN 191 Cb 0.05 0.57 -0.03 0.00 -1.09 0.00 0.00 33.01 32.50 3ikj s GLN 191 CO 0.19 -0.79 -0.20 1.03 -1.32 0.00 0.00 175.29 174.19 3ikj s ARG 192 N -3.75 1.09 -0.04 9.60 0.52 -1.26 -1.17 118.95 123.95 3ikj s ARG 192 Ca 0.15 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 54.18 3ikj s ARG 192 Cb -0.04 -1.31 0.01 0.00 0.52 0.00 0.00 34.95 34.13 3ikj s ARG 192 CO 0.08 0.31 0.17 -0.46 0.02 0.00 0.00 175.30 175.42 3ikj s TRP 193 N -1.15 -0.10 -0.28 -0.53 -0.11 -0.92 -4.96 118.94 110.89 3ikj s TRP 193 Ca 0.05 0.22 -0.29 0.00 1.22 0.00 0.00 56.10 57.30 3ikj s TRP 193 Cb -0.10 0.02 -0.01 0.00 -1.50 0.00 0.00 33.47 31.89 3ikj s TRP 193 CO 0.04 -0.19 1.38 -1.25 -4.62 0.00 0.00 176.95 172.30 3ikj s PRO 194 N -0.60 3.89 0.64 5.86 0.04 -1.26 -1.55 135.00 142.02 3ikj s PRO 194 Ca -0.07 1.35 0.36 0.00 0.04 0.00 0.00 61.00 62.68 3ikj s PRO 194 Cb -0.04 -3.92 1.97 0.00 0.04 0.00 0.00 34.50 32.55 3ikj s PRO 194 CO 0.01 -1.16 2.11 -0.39 0.04 0.00 0.00 177.00 177.61 3ikj h VAL 195 N 6.00 0.00 -0.04 -0.36 -1.51 -1.33 0.17 116.25 119.17 3ikj h VAL 195 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 3ikj h VAL 195 Cb 1.11 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3ikj h VAL 195 CO 1.02 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.90 3ikj n ARG 196 N -2.92 2.10 -4.50 5.19 1.74 -1.26 -4.61 116.66 112.40 3ikj n ARG 196 Ca -0.02 -1.60 -0.33 0.00 -0.77 0.00 0.00 57.85 55.12 3ikj n ARG 196 Cb 0.21 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 30.04 3ikj n ARG 196 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ikj s VAL 197 N -1.98 3.08 0.12 1.55 1.01 0.58 -5.08 120.40 119.69 3ikj s VAL 197 Ca 0.32 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 3ikj s VAL 197 Cb 0.20 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 34.17 3ikj s VAL 197 CO 0.31 0.50 1.58 -1.59 0.00 0.00 0.00 175.10 175.90 3ikj s LYS 198 N 0.70 4.22 0.27 2.72 -2.85 -1.26 -4.79 119.74 118.74 3ikj s LYS 198 Ca -0.05 2.32 -0.31 0.00 -1.00 0.00 0.00 55.97 56.93 3ikj s LYS 198 Cb -0.15 -3.34 -0.12 0.00 -2.06 0.00 0.00 37.83 32.16 3ikj s LYS 198 CO 0.02 -0.64 1.63 0.54 0.10 0.00 0.00 175.35 176.99 3ikj n ARG 199 N 4.61 2.70 -1.84 1.78 1.74 -1.26 -4.95 116.66 119.43 3ikj n ARG 199 Ca 0.14 0.96 -0.30 0.00 -0.77 0.00 0.00 57.85 57.89 3ikj n ARG 199 Cb 0.40 -2.76 0.07 0.00 -1.02 0.00 0.00 32.46 29.14 3ikj n ARG 199 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ikj s PRO 200 N -0.06 2.42 0.30 5.56 0.04 -1.26 -5.08 135.00 136.92 3ikj s PRO 200 Ca 0.67 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 3ikj s PRO 200 Cb -0.50 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.07 3ikj s PRO 200 CO 0.44 -1.33 0.55 1.52 0.04 0.00 0.00 177.00 178.23 3ikj s TYR 201 N -3.41 0.48 -0.01 0.56 -0.85 -1.26 -4.55 117.35 108.32 3ikj s TYR 201 Ca 0.60 -0.87 -0.21 0.00 -0.52 0.00 0.00 57.07 56.07 3ikj s TYR 201 Cb -0.12 0.27 -0.23 0.00 0.38 0.00 0.00 41.96 42.26 3ikj s TYR 201 CO 0.51 -1.16 1.09 0.87 -1.52 0.00 0.00 175.55 175.34 3ikj h LYS 202 N 2.15 0.36 -1.82 -3.49 1.57 -1.34 -3.45 116.57 110.54 3ikj h LYS 202 Ca -0.27 -0.38 0.03 0.00 -1.87 0.00 0.00 60.65 58.16 3ikj h LYS 202 Cb 1.25 0.10 -0.23 0.00 0.08 0.00 0.00 32.23 33.43 3ikj h LYS 202 CO 0.36 1.05 0.22 -2.00 -0.57 0.00 0.00 179.45 178.52 3ikj s GLU 203 N -3.21 0.64 -0.40 3.15 2.12 -1.20 -4.99 118.70 114.81 3ikj s GLU 203 Ca -0.14 0.91 -0.22 0.00 0.36 0.00 0.00 54.97 55.89 3ikj s GLU 203 Cb 0.03 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.67 3ikj s GLU 203 CO 0.80 -0.10 0.71 0.21 -0.54 0.00 0.00 175.26 176.34 3ikj s LYS 204 N 0.89 3.53 0.40 4.30 2.47 -1.26 -0.42 119.74 129.64 3ikj s LYS 204 Ca -0.04 -0.03 -0.25 0.00 -1.56 0.00 0.00 55.97 54.09 3ikj s LYS 204 Cb -0.05 -3.88 -0.09 0.00 -1.46 0.00 0.00 37.83 32.36 3ikj s LYS 204 CO -0.10 -0.92 1.10 -0.51 0.16 0.00 0.00 175.35 175.08 3ikj s LEU 205 N 2.97 4.16 0.57 5.43 1.43 0.10 -4.98 118.68 128.37 3ikj s LEU 205 Ca 0.27 2.17 -0.19 0.00 -1.03 0.00 0.00 54.13 55.34 3ikj s LEU 205 Cb -0.13 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 3ikj s LEU 205 CO 0.18 -0.57 1.18 -2.84 0.23 0.00 0.00 176.35 174.53 3ikj s PRO 206 N -2.40 3.11 -0.03 1.29 0.02 -1.26 -4.56 135.00 131.17 3ikj s PRO 206 Ca 0.57 1.76 -0.33 0.00 0.02 0.00 0.00 61.00 63.02 3ikj s PRO 206 Cb -0.26 -1.96 -0.11 0.00 0.02 0.00 0.00 34.50 32.19 3ikj s PRO 206 CO 0.32 -1.08 1.89 -2.30 -0.33 0.00 0.00 177.00 175.50 3ikj n PRO 207 N -1.48 2.40 0.00 5.54 -0.02 -1.26 -4.84 135.00 135.34 3ikj n PRO 207 Ca 0.13 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3ikj n PRO 207 Cb 0.50 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3ikj n PRO 207 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ikj n GLU 208 N 6.68 0.00 -1.81 -0.52 2.13 -1.26 -4.65 120.64 121.21 3ikj n GLU 208 Ca 0.21 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.64 3ikj n GLU 208 Cb 0.33 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.06 3ikj n GLU 208 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3ikj s VAL 209 N 0.00 2.11 0.33 6.31 1.01 -1.26 -3.51 120.40 125.38 3ikj s VAL 209 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 3ikj s VAL 209 Cb 0.00 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 3ikj s VAL 209 CO 0.00 0.01 0.80 -2.16 0.00 0.00 0.00 175.10 173.75 3ikj s PRO 210 N -2.48 4.16 -0.58 2.72 0.04 -1.26 -1.61 135.00 135.98 3ikj s PRO 210 Ca 0.62 0.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 3ikj s PRO 210 Cb -0.43 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.63 3ikj s PRO 210 CO 0.55 0.18 1.27 -1.17 0.04 0.00 0.00 177.00 177.87 3ikj s LEU 211 N -2.73 3.42 -0.29 -3.56 2.96 0.11 -4.37 118.68 114.22 3ikj s LEU 211 Ca 0.53 0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 3ikj s LEU 211 Cb -0.12 -3.10 -0.00 0.00 0.50 0.00 0.00 46.19 43.47 3ikj s LEU 211 CO 0.18 -1.58 1.36 -0.63 -1.32 0.00 0.00 176.35 174.36 3ikj s ILE 212 N 5.36 4.06 -0.13 6.68 -1.09 -1.26 -4.51 121.20 130.30 3ikj s ILE 212 Ca 0.46 1.19 0.19 0.00 -2.23 0.00 0.00 60.65 60.25 3ikj s ILE 212 Cb -0.09 -4.08 -0.25 0.00 -1.58 0.00 0.00 42.46 36.46 3ikj s ILE 212 CO 0.25 -0.45 0.34 0.41 -1.23 0.00 0.00 174.94 174.26 3ikj n THR 213 N 6.27 1.00 -0.91 2.92 -1.04 -1.26 -2.15 114.28 119.11 3ikj n THR 213 Ca 0.15 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 3ikj n THR 213 Cb 0.46 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 3ikj n THR 213 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ikj n GLY 214 N 1.55 0.67 3.57 3.41 0.00 -1.26 -4.28 105.19 108.85 3ikj n GLY 214 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3ikj n GLY 214 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ikj s GLN 215 N -0.30 3.76 0.21 1.61 -1.52 -1.26 -0.88 119.66 121.28 3ikj s GLN 215 Ca 0.00 -0.36 -0.09 0.00 -1.95 0.00 0.00 55.36 52.96 3ikj s GLN 215 Cb 0.00 -3.73 0.29 0.00 -0.22 0.00 0.00 33.01 29.35 3ikj s GLN 215 CO 0.00 -0.34 1.75 0.00 -0.25 0.00 0.00 175.29 176.45 3ikj h ARG 216 N 8.39 0.43 -0.27 2.91 3.08 -1.90 0.13 114.38 127.14 3ikj h ARG 216 Ca -0.32 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.57 3ikj h ARG 216 Cb 1.17 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3ikj h ARG 216 CO 0.62 0.28 -0.38 -0.24 -1.07 0.00 0.00 179.97 179.18 3ikj h VAL 217 N 0.44 1.29 0.12 2.04 3.04 -1.82 -0.59 116.25 120.77 3ikj h VAL 217 Ca 0.32 -1.54 -0.01 0.00 -1.01 0.00 0.00 66.70 64.46 3ikj h VAL 217 Cb 0.38 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3ikj h VAL 217 CO -0.30 0.49 -0.06 0.40 -1.01 0.00 0.00 177.57 177.09 3ikj h ILE 218 N 0.52 0.74 -0.22 3.17 2.04 -1.63 -1.41 117.51 120.73 3ikj h ILE 218 Ca 0.05 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3ikj h ILE 218 Cb 0.89 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3ikj h ILE 218 CO 0.08 0.22 0.09 0.44 0.00 0.00 0.00 178.15 178.97 3ikj h ASP 219 N -0.95 0.26 0.00 1.72 3.32 -0.77 -0.44 116.42 119.57 3ikj h ASP 219 Ca -0.02 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 3ikj h ASP 219 Cb 0.48 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3ikj h ASP 219 CO 0.03 0.24 -0.76 0.74 -1.72 0.00 0.00 179.24 177.77 3ikj h THR 220 N 0.30 0.59 0.01 0.35 2.02 -1.19 -3.40 112.91 111.59 3ikj h THR 220 Ca 0.08 -1.67 -0.38 0.00 0.77 0.00 0.00 66.41 65.21 3ikj h THR 220 Cb 0.06 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.75 3ikj h THR 220 CO -0.01 0.20 -2.38 0.49 0.37 0.00 0.00 175.52 174.19 3ikj n PHE 221 N -4.55 0.12 -2.99 3.16 3.01 -0.57 -4.72 117.46 110.92 3ikj n PHE 221 Ca -0.18 0.03 -0.24 0.00 1.01 0.00 0.00 57.45 58.07 3ikj n PHE 221 Cb 0.45 -1.02 -0.04 0.00 -0.01 0.00 0.00 39.48 38.87 3ikj n PHE 221 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3ikj n PHE 222 N -3.04 2.96 -2.01 1.38 3.72 -0.28 -4.59 117.46 115.59 3ikj n PHE 222 Ca -0.38 -3.91 -0.37 0.00 -0.05 0.00 0.00 57.45 52.74 3ikj n PHE 222 Cb 1.07 -0.46 0.03 0.00 -0.94 0.00 0.00 39.48 39.18 3ikj n PHE 222 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3ikj s PRO 223 N -3.19 3.18 -0.12 -1.08 0.04 -0.57 -4.67 135.00 128.59 3ikj s PRO 223 Ca 0.46 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 63.36 3ikj s PRO 223 Cb 0.31 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 3ikj s PRO 223 CO -0.12 -1.06 0.09 -1.14 0.04 0.00 0.00 177.00 174.81 3ikj s GLN 224 N -3.09 3.40 0.16 4.56 2.00 -1.26 -4.56 119.66 120.87 3ikj s GLN 224 Ca 0.73 -0.23 -0.12 0.00 -2.00 0.00 0.00 55.36 53.74 3ikj s GLN 224 Cb -0.32 -3.10 -0.07 0.00 0.80 0.00 0.00 33.01 30.32 3ikj s GLN 224 CO 0.37 0.69 0.51 0.00 -0.50 0.00 0.00 175.29 176.35 3ikj s ALA 225 N -0.79 3.62 0.14 1.58 0.00 -1.26 0.07 121.76 125.12 3ikj s ALA 225 Ca 0.13 -0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 3ikj s ALA 225 Cb -0.12 -2.42 -0.10 0.00 0.00 0.00 0.00 23.12 20.48 3ikj s ALA 225 CO 0.03 0.50 1.73 0.15 0.00 0.00 0.00 175.76 178.17 3ikj s LYS 226 N -2.23 4.16 0.00 0.00 1.02 -0.63 -0.28 119.74 121.78 3ikj s LYS 226 Ca 0.40 2.50 0.00 0.00 0.02 0.00 0.00 55.97 58.89 3ikj s LYS 226 Cb -0.14 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 3ikj s LYS 226 CO 0.20 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.28 3ikj n GLY 227 N 4.05 0.70 3.66 -3.33 0.00 -1.25 -4.34 105.19 104.68 3ikj n GLY 227 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3ikj n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikj n GLY 228 N -2.06 -0.13 3.08 -0.02 0.00 0.62 -2.50 105.19 104.18 3ikj n GLY 228 Ca 0.00 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.84 3ikj n GLY 228 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ikj s THR 229 N -3.22 1.40 0.04 2.61 -4.23 -1.26 -0.94 115.64 110.04 3ikj s THR 229 Ca 0.66 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 3ikj s THR 229 Cb -0.03 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.55 3ikj s THR 229 CO 0.45 0.41 -0.08 0.00 -0.54 0.00 0.00 174.62 174.86 3ikj s ALA 230 N 0.51 0.59 0.06 3.99 0.00 0.49 -1.67 121.76 125.73 3ikj s ALA 230 Ca -0.14 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.14 3ikj s ALA 230 Cb -0.16 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3ikj s ALA 230 CO 0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 175.76 175.64 3ikj s ALA 231 N -1.28 1.40 -0.24 0.00 0.00 -0.22 0.34 121.76 121.77 3ikj s ALA 231 Ca -0.09 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3ikj s ALA 231 Cb -0.09 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 22.88 3ikj s ALA 231 CO 0.00 0.27 -0.07 0.96 0.00 0.00 0.00 175.76 176.92 3ikj s ILE 232 N -1.00 1.71 0.44 0.00 -0.00 -0.31 -1.39 121.20 120.65 3ikj s ILE 232 Ca 0.03 -1.30 0.06 0.00 -0.00 0.00 0.00 60.65 59.44 3ikj s ILE 232 Cb -0.09 -1.91 -0.05 0.00 -0.00 0.00 0.00 42.46 40.42 3ikj s ILE 232 CO 0.02 -0.05 0.13 -2.16 -0.00 0.00 0.00 174.94 172.89 3ikj s PRO 233 N 1.32 2.16 0.00 0.37 0.04 -1.23 -0.34 135.00 137.31 3ikj s PRO 233 Ca -0.06 -2.00 0.00 0.00 0.04 0.00 0.00 61.00 58.98 3ikj s PRO 233 Cb -0.19 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3ikj s PRO 233 CO -0.06 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3ikj n GLY 234 N -1.22 0.89 3.69 0.56 0.00 -1.19 -2.23 105.19 105.68 3ikj n GLY 234 Ca -0.05 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 3ikj n GLY 234 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ikj s PRO 235 N -1.32 1.19 0.23 1.61 0.04 -1.26 -4.63 135.00 130.86 3ikj s PRO 235 Ca 0.00 1.33 0.11 0.00 0.04 0.00 0.00 61.00 62.48 3ikj s PRO 235 Cb 0.00 -1.76 0.12 0.00 0.04 0.00 0.00 34.50 32.90 3ikj s PRO 235 CO 0.00 -2.44 1.47 0.74 0.04 0.00 0.00 177.00 176.81 3ikj h PHE 236 N -1.72 0.00 0.00 0.56 0.04 -1.98 -3.45 116.94 110.39 3ikj h PHE 236 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 3ikj h PHE 236 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3ikj h PHE 236 CO 0.50 0.72 0.00 0.41 -0.60 0.00 0.00 178.31 179.33 3ikj n GLY 237 N 0.87 0.00 3.53 -1.45 0.00 -1.26 -4.40 105.19 102.47 3ikj n GLY 237 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ikj n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikj s ALA 238 N -1.82 3.13 0.00 4.61 0.00 -1.26 -4.56 121.76 121.85 3ikj s ALA 238 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3ikj s ALA 238 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3ikj s ALA 238 CO 0.00 -2.45 0.00 0.41 0.00 0.00 0.00 175.76 173.72 3ikj n GLY 239 N 5.11 2.32 0.19 0.00 0.00 -1.26 -4.71 105.19 106.84 3ikj n GLY 239 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 3ikj n GLY 239 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ikj h LYS 240 N 0.69 0.14 -0.01 1.61 3.64 -1.80 0.26 116.57 121.09 3ikj h LYS 240 Ca 0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3ikj h LYS 240 Cb 0.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3ikj h LYS 240 CO 0.00 0.09 -0.09 1.15 -2.27 0.00 0.00 179.45 178.33 3ikj h THR 241 N 0.14 0.77 -0.49 1.00 2.02 -1.89 0.37 112.91 114.83 3ikj h THR 241 Ca 0.24 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.30 3ikj h THR 241 Cb 0.36 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3ikj h THR 241 CO -0.38 0.00 -0.19 -0.37 0.37 0.00 0.00 175.52 174.95 3ikj h VAL 242 N -0.15 1.27 -0.37 3.16 -1.51 -1.72 0.19 116.25 117.11 3ikj h VAL 242 Ca 0.04 -1.35 0.01 0.00 -1.23 0.00 0.00 66.70 64.17 3ikj h VAL 242 Cb 0.20 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.42 3ikj h VAL 242 CO -0.10 0.47 0.22 0.74 -1.23 0.00 0.00 177.57 177.67 3ikj h THR 243 N 0.86 1.05 -0.73 7.19 2.02 -0.25 0.66 112.91 123.71 3ikj h THR 243 Ca 0.12 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3ikj h THR 243 Cb 0.76 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3ikj h THR 243 CO 0.06 0.08 0.32 1.56 0.37 0.00 0.00 175.52 177.92 3ikj h GLN 244 N 0.45 1.07 -0.35 6.66 4.20 -0.10 -0.33 115.11 126.71 3ikj h GLN 244 Ca 0.15 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3ikj h GLN 244 Cb -0.00 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3ikj h GLN 244 CO -0.06 0.86 0.12 1.25 -0.67 0.00 0.00 178.83 180.33 3ikj h HIS 245 N 1.04 0.55 -0.66 2.96 2.76 -0.24 -0.86 115.15 120.70 3ikj h HIS 245 Ca 0.25 -0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.44 3ikj h HIS 245 Cb 0.16 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 3ikj h HIS 245 CO 0.01 0.53 0.32 1.96 -1.30 0.00 0.00 177.93 179.46 3ikj h GLN 246 N 0.42 0.56 -0.54 5.26 1.08 0.96 -2.51 115.11 120.33 3ikj h GLN 246 Ca 0.11 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3ikj h GLN 246 Cb 0.23 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 3ikj h GLN 246 CO -0.01 0.37 0.33 -0.07 -0.95 0.00 0.00 178.83 178.51 3ikj h LEU 247 N 0.58 0.64 -1.12 1.46 3.38 -0.73 -1.44 115.31 118.08 3ikj h LEU 247 Ca 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3ikj h LEU 247 Cb 0.29 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3ikj h LEU 247 CO -0.24 0.50 0.45 0.00 0.09 0.00 0.00 178.44 179.24 3ikj h ALA 248 N 1.17 1.34 0.00 1.53 0.00 -0.91 -1.49 119.26 120.90 3ikj h ALA 248 Ca 0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ikj h ALA 248 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3ikj h ALA 248 CO -0.04 0.56 -1.68 0.36 0.00 0.00 0.00 179.25 178.45 3ikj n LYS 249 N -4.37 0.64 -0.04 0.00 2.85 -0.97 -4.49 118.16 111.78 3ikj n LYS 249 Ca 0.08 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.35 3ikj n LYS 249 Cb 0.08 -1.66 -0.11 0.00 -0.65 0.00 0.00 35.03 32.68 3ikj n LYS 249 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 3ikj n TRP 250 N -2.58 0.00 -1.82 5.58 7.02 -0.56 -4.60 117.44 120.48 3ikj n TRP 250 Ca -0.09 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.01 3ikj n TRP 250 Cb 0.71 -0.51 0.03 0.00 -2.42 0.00 0.00 31.31 29.13 3ikj n TRP 250 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3ikj s SER 251 N -4.20 5.55 -1.42 -0.99 0.01 -0.57 -4.76 113.70 107.32 3ikj s SER 251 Ca -0.06 2.79 -0.12 0.00 1.31 0.00 0.00 55.95 59.87 3ikj s SER 251 Cb 0.07 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.73 3ikj s SER 251 CO 0.59 -1.38 2.21 -0.90 0.41 0.00 0.00 173.24 174.17 3ikj n ASP 252 N -0.69 4.89 -4.06 2.44 5.75 -0.91 -4.79 116.55 119.18 3ikj n ASP 252 Ca 0.08 -2.91 -0.26 0.00 -0.01 0.00 0.00 54.79 51.69 3ikj n ASP 252 Cb 0.44 -1.58 -0.17 0.00 -1.03 0.00 0.00 41.12 38.78 3ikj n ASP 252 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ikj s ALA 253 N 2.08 1.46 0.20 2.12 0.00 -1.26 -4.85 121.76 121.51 3ikj s ALA 253 Ca 0.47 -0.54 0.25 0.00 0.00 0.00 0.00 51.96 52.14 3ikj s ALA 253 Cb 0.13 -0.63 1.06 0.00 0.00 0.00 0.00 23.12 23.68 3ikj s ALA 253 CO -0.06 0.13 1.89 1.96 0.00 0.00 0.00 175.76 179.68 3ikj h GLN 254 N 6.96 0.00 -3.82 0.00 7.50 -1.11 -3.44 115.11 121.20 3ikj h GLN 254 Ca -0.28 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.67 3ikj h GLN 254 Cb 1.20 0.00 -0.24 0.00 0.05 0.00 0.00 27.48 28.49 3ikj h GLN 254 CO 0.47 0.20 -0.68 0.08 -1.50 0.00 0.00 178.83 177.40 3ikj s VAL 255 N -3.77 0.06 -0.08 -0.54 1.01 -1.19 -4.85 120.40 111.03 3ikj s VAL 255 Ca -0.00 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3ikj s VAL 255 Cb 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.32 3ikj s VAL 255 CO 0.62 -0.27 -0.19 -0.69 0.00 0.00 0.00 175.10 174.57 3ikj s VAL 256 N -0.82 1.64 -0.28 2.92 1.01 -0.60 -0.85 120.40 123.42 3ikj s VAL 256 Ca -0.09 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3ikj s VAL 256 Cb -0.06 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3ikj s VAL 256 CO -0.00 0.47 0.03 -0.63 0.00 0.00 0.00 175.10 174.96 3ikj s ILE 257 N 0.49 3.50 -0.25 2.22 -1.09 0.52 -2.62 121.20 123.98 3ikj s ILE 257 Ca -0.17 -0.89 -0.06 0.00 -2.23 0.00 0.00 60.65 57.31 3ikj s ILE 257 Cb -0.17 -2.82 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 3ikj s ILE 257 CO 0.07 0.09 0.03 -0.47 -1.23 0.00 0.00 174.94 173.42 3ikj s TYR 258 N 1.41 3.05 -0.77 3.97 5.04 -0.98 -0.32 117.35 128.75 3ikj s TYR 258 Ca 0.01 -0.75 -0.15 0.00 -2.44 0.00 0.00 57.07 53.74 3ikj s TYR 258 Cb -0.17 -2.19 0.19 0.00 0.35 0.00 0.00 41.96 40.14 3ikj s TYR 258 CO -0.00 -0.48 0.75 0.42 -1.34 0.00 0.00 175.55 174.90 3ikj s ILE 259 N 1.53 5.42 -0.50 3.14 1.01 0.75 -0.65 121.20 131.91 3ikj s ILE 259 Ca 0.05 -2.14 0.04 0.00 0.00 0.00 0.00 60.65 58.60 3ikj s ILE 259 Cb -0.15 -4.47 0.13 0.00 0.01 0.00 0.00 42.46 37.98 3ikj s ILE 259 CO 0.01 -1.05 0.26 -0.83 0.00 0.00 0.00 174.94 173.32 3ikj s GLY 260 N 2.63 2.27 -0.37 6.18 0.00 -0.82 -1.62 107.32 115.58 3ikj s GLY 260 Ca 0.16 -3.12 0.00 0.00 0.00 0.00 0.00 44.72 41.76 3ikj s GLY 260 CO -0.06 1.14 0.19 0.00 0.00 0.00 0.00 173.10 174.37 3ikj n GLY 262 N 4.08 0.00 0.08 0.00 0.00 -0.53 -4.59 105.19 104.24 3ikj n GLY 262 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3ikj n GLY 262 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ikj n GLU 263 N -0.30 0.49 -4.26 1.61 -0.58 -1.26 -4.71 120.64 111.63 3ikj n GLU 263 Ca 0.00 0.07 -0.26 0.00 -0.42 0.00 0.00 57.16 56.54 3ikj n GLU 263 Cb 0.00 -1.73 -0.17 0.00 -0.57 0.00 0.00 31.44 28.97 3ikj n GLU 263 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3ikj s ARG 264 N -3.31 1.72 0.55 3.49 0.52 -1.26 -5.04 118.95 115.61 3ikj s ARG 264 Ca 0.01 -0.37 0.47 0.00 -0.52 0.00 0.00 55.73 55.31 3ikj s ARG 264 Cb 0.11 -1.57 1.69 0.00 0.52 0.00 0.00 34.95 35.70 3ikj s ARG 264 CO 0.79 -0.12 1.62 0.78 0.02 0.00 0.00 175.30 178.39 3ikj h GLY 265 N 7.58 0.11 -1.51 -3.53 0.00 -2.02 2.05 103.07 105.75 3ikj h GLY 265 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3ikj h GLY 265 CO 0.45 -0.04 0.00 1.16 0.00 0.00 0.00 176.54 178.12 3ikj n ASN 266 N -4.04 2.55 -0.11 0.19 0.23 -1.26 -4.49 115.26 108.32 3ikj n ASN 266 Ca 0.41 -1.84 -0.09 0.00 -0.53 0.00 0.00 54.58 52.53 3ikj n ASN 266 Cb 1.84 -0.09 -0.01 0.00 -2.08 0.00 0.00 39.78 39.44 3ikj n ASN 266 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3ikj h GLU 267 N 3.66 0.48 -0.41 -3.83 4.81 0.29 0.69 114.58 120.26 3ikj h GLU 267 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ikj h GLU 267 Cb 0.79 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3ikj h GLU 267 CO 0.00 0.36 0.24 1.98 -0.73 0.00 0.00 179.01 180.86 3ikj h MET 268 N 0.46 0.55 -0.28 1.92 4.05 -1.79 0.17 114.93 120.02 3ikj h MET 268 Ca 0.13 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 3ikj h MET 268 Cb 0.00 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 3ikj h MET 268 CO -0.02 0.40 -0.08 1.15 0.23 0.00 0.00 176.91 178.58 3ikj h THR 269 N 0.57 1.28 -0.60 -0.77 2.02 -1.69 -1.23 112.91 112.50 3ikj h THR 269 Ca 0.15 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 3ikj h THR 269 Cb -0.01 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3ikj h THR 269 CO -0.03 0.35 0.30 0.44 0.37 0.00 0.00 175.52 176.96 3ikj h ASP 270 N 0.29 0.76 0.07 4.18 3.32 -0.14 0.46 116.42 125.36 3ikj h ASP 270 Ca 0.07 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.02 3ikj h ASP 270 Cb 0.56 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3ikj h ASP 270 CO 0.03 0.66 -0.19 0.58 -1.72 0.00 0.00 179.24 178.61 3ikj h VAL 271 N 0.81 0.57 0.00 -1.35 2.07 -0.58 0.51 116.25 118.28 3ikj h VAL 271 Ca 0.21 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.60 3ikj h VAL 271 Cb 0.09 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3ikj h VAL 271 CO -0.03 0.00 -0.62 0.25 0.02 0.00 0.00 177.57 177.19 3ikj h LEU 272 N -0.34 0.00 0.18 2.57 5.85 -1.05 -3.08 115.31 119.44 3ikj h LEU 272 Ca 0.03 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.41 3ikj h LEU 272 Cb 0.38 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.41 3ikj h LEU 272 CO -0.13 0.62 -1.72 -0.33 -0.34 0.00 0.00 178.44 176.55 3ikj h GLU 273 N 0.00 0.37 0.00 1.25 4.39 -0.83 -3.44 114.58 116.33 3ikj h GLU 273 Ca -0.01 -0.64 -0.36 0.00 0.34 0.00 0.00 59.36 58.70 3ikj h GLU 273 Cb 1.23 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 30.06 3ikj h GLU 273 CO 0.08 1.31 -2.18 0.39 -1.16 0.00 0.00 179.01 177.45 3ikj n GLU 274 N -3.64 0.54 -0.49 2.33 -0.58 0.18 -4.62 120.64 114.36 3ikj n GLU 274 Ca -0.25 0.23 0.41 0.00 -0.42 0.00 0.00 57.16 57.14 3ikj n GLU 274 Cb 1.05 -1.41 0.69 0.00 -0.57 0.00 0.00 31.44 31.20 3ikj n GLU 274 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3ikj n PHE 275 N -4.21 0.67 0.98 -0.32 3.01 -1.16 -0.18 117.46 116.24 3ikj n PHE 275 Ca -0.44 0.67 0.09 0.00 1.01 0.00 0.00 57.45 58.78 3ikj n PHE 275 Cb 0.80 -1.12 0.50 0.00 -0.01 0.00 0.00 39.48 39.65 3ikj n PHE 275 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3ikj n PRO 276 N -4.69 0.35 -0.01 -1.08 -0.02 -1.26 -3.18 135.00 125.12 3ikj n PRO 276 Ca 0.41 0.08 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 3ikj n PRO 276 Cb 1.61 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 33.48 3ikj n PRO 276 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ikj n LYS 277 N -1.22 0.57 -1.76 -0.52 5.02 0.75 -4.94 118.16 116.05 3ikj n LYS 277 Ca 0.10 -0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 3ikj n LYS 277 Cb 0.13 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3ikj n LYS 277 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ikj n LEU 278 N -1.97 4.57 -4.79 -0.35 4.77 -1.19 -4.94 117.00 113.09 3ikj n LEU 278 Ca -0.02 1.18 -0.35 0.00 -0.03 0.00 0.00 56.01 56.79 3ikj n LEU 278 Cb 0.38 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.79 3ikj n LEU 278 CO 0.31 0.17 -0.24 -0.54 -1.33 0.00 0.00 177.39 175.77 3ikj s LYS 279 N -1.16 3.17 -0.40 3.23 -0.14 -1.26 -1.65 119.74 121.52 3ikj s LYS 279 Ca 0.59 -0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 54.56 3ikj s LYS 279 Cb -0.48 -2.94 0.01 0.00 -1.68 0.00 0.00 37.83 32.73 3ikj s LYS 279 CO 0.55 0.70 1.32 0.34 -0.76 0.00 0.00 175.35 177.50 3ikj s ASP 280 N -1.33 6.48 0.60 2.83 2.15 0.21 -4.61 116.67 123.00 3ikj s ASP 280 Ca 0.18 0.82 0.33 0.00 0.43 0.00 0.00 52.55 54.32 3ikj s ASP 280 Cb -0.12 -2.54 1.91 0.00 -0.30 0.00 0.00 42.92 41.87 3ikj s ASP 280 CO 0.08 -1.32 2.25 1.55 -0.17 0.00 0.00 175.17 177.57 3ikj h PRO 281 N 10.05 0.00 0.00 4.34 0.13 -1.86 0.15 132.00 144.82 3ikj h PRO 281 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ikj h PRO 281 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3ikj h PRO 281 CO 1.08 0.02 0.00 0.87 -0.23 0.00 0.00 178.00 179.74 3ikj h LYS 282 N 0.00 0.00 0.00 0.86 1.57 -1.90 -3.38 116.57 113.71 3ikj h LYS 282 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ikj h LYS 282 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ikj h LYS 282 CO 0.00 0.00 -0.27 0.25 -0.57 0.00 0.00 179.45 178.86 3ikj n THR 283 N -3.01 0.00 0.00 -0.16 -2.24 -0.51 -5.01 114.28 103.35 3ikj n THR 283 Ca 0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3ikj n THR 283 Cb 0.39 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3ikj n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ikj n GLY 284 N 0.74 2.91 3.94 3.38 0.00 0.41 -5.04 105.19 111.53 3ikj n GLY 284 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3ikj n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikj s LYS 285 N -0.52 1.88 0.33 1.61 1.02 -1.24 -4.65 119.74 118.16 3ikj s LYS 285 Ca 0.00 -0.46 -0.27 0.00 0.02 0.00 0.00 55.97 55.26 3ikj s LYS 285 Cb 0.00 -2.16 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 3ikj s LYS 285 CO 0.00 -1.43 1.10 -2.14 -0.92 0.00 0.00 175.35 171.96 3ikj s PRO 286 N -5.30 4.43 0.50 -1.68 0.02 -1.26 0.65 135.00 132.36 3ikj s PRO 286 Ca 0.63 1.74 0.16 0.00 0.02 0.00 0.00 61.00 63.56 3ikj s PRO 286 Cb -0.09 -2.95 1.22 0.00 0.02 0.00 0.00 34.50 32.70 3ikj s PRO 286 CO 0.46 0.04 2.11 1.25 -0.33 0.00 0.00 177.00 180.52 3ikj h LEU 287 N 3.31 0.00 -1.96 -5.54 5.85 -1.57 -1.87 115.31 113.54 3ikj h LEU 287 Ca -0.47 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.31 3ikj h LEU 287 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3ikj h LEU 287 CO 0.65 0.06 0.19 -0.03 -0.34 0.00 0.00 178.44 178.97 3ikj h MET 288 N 0.00 0.05 0.00 1.25 4.05 -1.82 -2.75 114.93 115.71 3ikj h MET 288 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ikj h MET 288 Cb 0.10 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 3ikj h MET 288 CO 0.01 0.03 0.00 0.39 0.23 0.00 0.00 176.91 177.57 3ikj n GLU 289 N -4.47 0.57 -0.42 0.39 1.02 -0.70 -1.68 120.64 115.35 3ikj n GLU 289 Ca 0.03 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.18 3ikj n GLU 289 Cb 0.32 -1.33 0.01 0.00 -0.02 0.00 0.00 31.44 30.42 3ikj n GLU 289 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3ikj n ARG 290 N -0.83 0.10 -4.28 3.49 1.85 -1.05 -4.32 116.66 111.62 3ikj n ARG 290 Ca 0.09 -1.05 -0.16 0.00 -1.00 0.00 0.00 57.85 55.72 3ikj n ARG 290 Cb 0.04 -0.56 -0.10 0.00 -1.05 0.00 0.00 32.46 30.79 3ikj n ARG 290 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3ikj s THR 291 N -0.18 1.41 -0.06 8.89 2.01 -0.77 -1.56 115.64 125.37 3ikj s THR 291 Ca 0.02 -2.06 -0.02 0.00 0.31 0.00 0.00 61.69 59.93 3ikj s THR 291 Cb 0.02 -1.87 0.04 0.00 0.01 0.00 0.00 72.50 70.69 3ikj s THR 291 CO 0.00 -0.64 0.12 -0.69 -0.69 0.00 0.00 174.62 172.72 3ikj s VAL 292 N -3.01 -0.13 -0.01 3.82 1.01 -1.08 -1.27 120.40 119.74 3ikj s VAL 292 Ca 0.18 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 3ikj s VAL 292 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3ikj s VAL 292 CO 0.03 0.11 0.18 -0.76 0.00 0.00 0.00 175.10 174.66 3ikj s LEU 293 N 1.64 4.36 -0.29 3.92 1.43 -0.58 -2.31 118.68 126.85 3ikj s LEU 293 Ca -0.03 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3ikj s LEU 293 Cb -0.12 -2.58 0.09 0.00 0.03 0.00 0.00 46.19 43.61 3ikj s LEU 293 CO -0.05 0.27 0.09 -0.63 0.23 0.00 0.00 176.35 176.26 3ikj s ILE 294 N -1.31 0.77 -0.00 -0.59 1.09 0.17 -1.08 121.20 120.25 3ikj s ILE 294 Ca 0.27 -1.25 -0.29 0.00 -1.10 0.00 0.00 60.65 58.28 3ikj s ILE 294 Cb -0.13 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.70 3ikj s ILE 294 CO 0.18 -0.62 0.92 0.00 -0.10 0.00 0.00 174.94 175.32 3ikj s ALA 295 N 1.68 3.21 -0.13 9.38 0.00 0.39 -1.94 121.76 134.35 3ikj s ALA 295 Ca 0.08 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3ikj s ALA 295 Cb -0.17 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3ikj s ALA 295 CO -0.24 -0.18 -0.17 -0.80 0.00 0.00 0.00 175.76 174.37 3ikj s ASN 296 N 0.84 3.63 0.39 0.00 0.01 -1.26 -3.90 114.94 114.65 3ikj s ASN 296 Ca 0.48 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 52.23 3ikj s ASN 296 Cb -0.21 -1.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.89 3ikj s ASN 296 CO 0.26 0.14 0.15 0.42 -1.51 0.00 0.00 177.10 176.56 3ikj s THR 297 N 0.51 0.51 -0.06 1.60 -4.23 -1.26 -1.45 115.64 111.27 3ikj s THR 297 Ca -0.11 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.54 3ikj s THR 297 Cb -0.16 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.30 3ikj s THR 297 CO 0.05 0.00 1.45 -1.28 -0.54 0.00 0.00 174.62 174.30 3ikj h SER 298 N 1.88 0.00 1.58 3.99 0.87 -1.97 -3.09 113.55 116.82 3ikj h SER 298 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3ikj h SER 298 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 3ikj h SER 298 CO 0.54 0.59 0.00 -1.13 -0.53 0.00 0.00 176.83 176.30 3ikj h ASN 299 N 0.00 0.00 -4.02 6.23 -0.00 -2.00 -3.47 115.58 112.32 3ikj h ASN 299 Ca -0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 56.30 55.84 3ikj h ASN 299 Cb 1.40 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.71 3ikj h ASN 299 CO 0.08 0.00 0.36 -0.04 -0.00 0.00 0.00 177.43 177.82 3ikj s MET 300 N -3.38 4.19 0.29 6.67 -1.94 -1.17 -5.00 119.30 118.97 3ikj s MET 300 Ca 0.05 1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 54.97 3ikj s MET 300 Cb 0.07 -2.30 -0.11 0.00 2.01 0.00 0.00 34.83 34.50 3ikj s MET 300 CO 0.61 -0.07 1.61 -2.14 -0.01 0.00 0.00 175.02 175.02 3ikj s PRO 301 N -2.94 4.11 0.32 2.03 0.02 -1.26 -4.85 135.00 132.43 3ikj s PRO 301 Ca 0.61 2.60 0.18 0.00 0.02 0.00 0.00 61.00 64.41 3ikj s PRO 301 Cb -0.13 -3.02 1.16 0.00 0.02 0.00 0.00 34.50 32.53 3ikj s PRO 301 CO 0.18 -0.65 1.36 1.55 -0.33 0.00 0.00 177.00 179.11 3ikj n VAL 302 N 2.19 -0.36 0.07 3.83 3.14 -1.26 -1.05 118.33 124.88 3ikj n VAL 302 Ca 0.08 1.75 -0.13 0.00 -2.96 0.00 0.00 64.34 63.09 3ikj n VAL 302 Cb 0.37 -2.85 -0.08 0.00 -1.06 0.00 0.00 33.84 30.22 3ikj n VAL 302 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ikj h ALA 303 N 1.73 -0.89 -0.19 1.55 0.00 -1.89 -1.71 119.26 117.86 3ikj h ALA 303 Ca 0.73 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.51 3ikj h ALA 303 Cb 1.94 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 20.57 3ikj h ALA 303 CO -0.67 -1.01 -0.10 0.00 0.00 0.00 0.00 179.25 177.48 3ikj h ALA 304 N -0.69 0.27 -0.97 0.00 0.00 -1.20 -2.63 119.26 114.05 3ikj h ALA 304 Ca 0.00 -0.29 0.25 0.00 0.00 0.00 0.00 54.91 54.88 3ikj h ALA 304 Cb 0.60 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.19 3ikj h ALA 304 CO -0.26 0.10 0.52 0.00 0.00 0.00 0.00 179.25 179.61 3ikj h ARG 305 N 0.09 0.44 -0.10 0.00 3.08 -1.27 0.84 114.38 117.47 3ikj h ARG 305 Ca 0.04 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3ikj h ARG 305 Cb 0.59 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3ikj h ARG 305 CO 0.03 0.29 0.11 1.49 -1.07 0.00 0.00 179.97 180.82 3ikj h GLU 306 N 0.46 0.00 -0.01 0.04 4.22 -0.92 -3.13 114.58 115.25 3ikj h GLU 306 Ca 0.64 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.08 3ikj h GLU 306 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3ikj h GLU 306 CO -0.53 0.00 -0.21 0.00 -2.18 0.00 0.00 179.01 176.10 3ikj n ALA 307 N -2.36 2.80 0.12 2.92 0.00 0.29 -4.31 120.51 119.97 3ikj n ALA 307 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3ikj n ALA 307 Cb 0.21 -0.31 0.29 0.00 0.00 0.00 0.00 19.45 19.65 3ikj n ALA 307 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ikj h SER 308 N 0.86 0.18 -0.44 0.00 4.64 -1.31 -1.88 113.55 115.60 3ikj h SER 308 Ca 0.00 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 3ikj h SER 308 Cb 0.29 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3ikj h SER 308 CO 0.00 0.52 0.11 0.16 -0.87 0.00 0.00 176.83 176.74 3ikj h ILE 309 N 0.16 1.23 -0.60 0.95 3.07 -1.79 0.10 117.51 120.62 3ikj h ILE 309 Ca 0.02 -0.81 0.01 0.00 1.55 0.00 0.00 64.86 65.63 3ikj h ILE 309 Cb 0.68 0.92 -0.03 0.00 -0.27 0.00 0.00 36.82 38.12 3ikj h ILE 309 CO 0.05 0.29 0.39 1.88 -1.05 0.00 0.00 178.15 179.71 3ikj h TYR 310 N 0.58 0.74 -0.64 0.16 0.05 -1.80 0.74 116.97 116.80 3ikj h TYR 310 Ca 0.14 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.87 3ikj h TYR 310 Cb 0.32 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 3ikj h TYR 310 CO 0.02 0.46 0.16 1.15 -1.05 0.00 0.00 178.16 178.89 3ikj h THR 311 N 0.79 1.25 -0.21 -2.88 2.02 -1.19 0.85 112.91 113.55 3ikj h THR 311 Ca 0.23 -0.93 -0.07 0.00 0.77 0.00 0.00 66.41 66.41 3ikj h THR 311 Cb -0.06 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3ikj h THR 311 CO -0.06 0.35 -0.16 1.23 0.37 0.00 0.00 175.52 177.25 3ikj h GLY 312 N 0.94 0.52 1.27 2.16 0.00 -0.44 -1.89 103.07 105.63 3ikj h GLY 312 Ca 0.20 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 3ikj h GLY 312 CO 0.00 0.46 -0.49 1.19 0.00 0.00 0.00 176.54 177.70 3ikj h ILE 313 N 0.16 1.29 -0.75 2.60 2.10 0.75 -1.25 117.51 122.41 3ikj h ILE 313 Ca 0.04 -1.68 0.12 0.00 1.08 0.00 0.00 64.86 64.41 3ikj h ILE 313 Cb 0.69 1.59 -0.08 0.00 -1.09 0.00 0.00 36.82 37.92 3ikj h ILE 313 CO 0.04 0.54 0.35 0.74 -1.08 0.00 0.00 178.15 178.75 3ikj h THR 314 N 0.61 0.76 -0.02 2.19 2.02 -0.88 0.35 112.91 117.94 3ikj h THR 314 Ca 0.03 -0.19 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 3ikj h THR 314 Cb 1.07 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3ikj h THR 314 CO 0.11 0.10 -0.66 0.40 0.37 0.00 0.00 175.52 175.84 3ikj h ILE 315 N 0.55 1.44 0.09 3.11 2.04 -0.80 -2.31 117.51 121.64 3ikj h ILE 315 Ca 0.39 -2.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.06 3ikj h ILE 315 Cb 0.51 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3ikj h ILE 315 CO -0.33 0.63 -0.04 0.00 0.00 0.00 0.00 178.15 178.41 3ikj h ALA 316 N 1.25 -0.12 -0.54 1.87 0.00 0.04 -2.56 119.26 119.20 3ikj h ALA 316 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ikj h ALA 316 Cb 1.18 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3ikj h ALA 316 CO 0.09 -0.52 0.36 0.93 0.00 0.00 0.00 179.25 180.11 3ikj h GLU 317 N -0.22 0.48 -0.37 0.00 5.08 -0.26 0.24 114.58 119.52 3ikj h GLU 317 Ca -0.01 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3ikj h GLU 317 Cb 0.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ikj h GLU 317 CO 0.02 0.32 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.23 3ikj h TYR 318 N 0.49 0.92 -0.14 4.33 3.20 -1.30 0.28 116.97 124.75 3ikj h TYR 318 Ca 0.23 -0.23 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 3ikj h TYR 318 Cb 0.29 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 3ikj h TYR 318 CO -0.00 0.98 -0.62 0.74 -1.64 0.00 0.00 178.16 177.62 3ikj h PHE 319 N 0.59 0.66 -0.63 -3.82 0.04 -0.75 -3.02 116.94 110.01 3ikj h PHE 319 Ca 0.08 -0.25 0.13 0.00 2.80 0.00 0.00 57.97 60.73 3ikj h PHE 319 Cb 0.75 -0.12 -0.10 0.00 2.20 0.00 0.00 35.95 38.68 3ikj h PHE 319 CO 0.06 1.00 0.05 -0.09 -0.60 0.00 0.00 178.31 178.72 3ikj h ARG 320 N 0.37 0.16 -0.07 1.51 2.43 -0.13 -2.46 114.38 116.18 3ikj h ARG 320 Ca -0.01 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3ikj h ARG 320 Cb 1.18 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3ikj h ARG 320 CO 0.11 0.10 0.06 -0.44 -1.51 0.00 0.00 179.97 178.30 3ikj h ASP 321 N 0.16 0.00 0.62 -3.80 3.32 -0.33 0.96 116.42 117.35 3ikj h ASP 321 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3ikj h ASP 321 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3ikj h ASP 321 CO -0.50 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.25 3ikj n MET 322 N -4.23 0.32 0.00 3.56 2.81 -0.95 -4.84 117.12 113.78 3ikj n MET 322 Ca -0.01 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3ikj n MET 322 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 3ikj n MET 322 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ikj n GLY 323 N 1.16 1.11 3.91 3.03 0.00 0.33 -5.01 105.19 109.72 3ikj n GLY 323 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3ikj n GLY 323 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ikj s TYR 324 N -2.00 3.48 -0.07 1.61 2.02 -1.04 -4.65 117.35 116.70 3ikj s TYR 324 Ca 0.00 0.63 -0.19 0.00 -0.37 0.00 0.00 57.07 57.14 3ikj s TYR 324 Cb 0.00 -2.10 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 3ikj s TYR 324 CO 0.00 0.15 0.53 -0.51 -1.57 0.00 0.00 175.55 174.15 3ikj s ASP 325 N -3.26 6.81 0.02 2.29 1.01 -1.26 -2.23 116.67 120.05 3ikj s ASP 325 Ca 0.44 0.97 0.04 0.00 0.71 0.00 0.00 52.55 54.71 3ikj s ASP 325 Cb -0.11 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 3ikj s ASP 325 CO 0.31 0.05 -0.12 0.54 0.21 0.00 0.00 175.17 176.16 3ikj s VAL 326 N 0.23 0.91 -0.20 -1.27 0.11 0.16 -0.52 120.40 119.83 3ikj s VAL 326 Ca 0.28 -0.79 -0.04 0.00 -2.93 0.00 0.00 61.98 58.50 3ikj s VAL 326 Cb -0.16 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 3ikj s VAL 326 CO 0.13 0.04 -0.02 0.00 -3.33 0.00 0.00 175.10 171.92 3ikj s ALA 327 N -0.68 2.94 -0.32 1.54 0.00 -0.03 -0.90 121.76 124.31 3ikj s ALA 327 Ca 0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 3ikj s ALA 327 Cb -0.07 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 3ikj s ALA 327 CO 0.01 -0.18 0.16 -1.17 0.00 0.00 0.00 175.76 174.57 3ikj s LEU 328 N 1.06 4.18 -0.23 0.00 2.96 0.62 -0.35 118.68 126.91 3ikj s LEU 328 Ca 0.02 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 3ikj s LEU 328 Cb -0.14 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3ikj s LEU 328 CO 0.01 -0.22 -0.00 -0.04 -1.32 0.00 0.00 176.35 174.78 3ikj s MET 329 N 1.60 3.48 -0.22 1.98 -1.94 0.56 -0.95 119.30 123.81 3ikj s MET 329 Ca 0.04 -0.57 -0.04 0.00 -1.71 0.00 0.00 55.69 53.41 3ikj s MET 329 Cb -0.17 -3.13 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 3ikj s MET 329 CO 0.06 -0.20 -0.04 0.00 -0.01 0.00 0.00 175.02 174.84 3ikj s ALA 330 N 1.53 2.82 -0.29 3.03 0.00 -0.78 -0.17 121.76 127.90 3ikj s ALA 330 Ca 0.06 -1.18 0.16 0.00 0.00 0.00 0.00 51.96 51.00 3ikj s ALA 330 Cb -0.15 -1.72 0.48 0.00 0.00 0.00 0.00 23.12 21.74 3ikj s ALA 330 CO -0.01 -0.45 1.12 -3.47 0.00 0.00 0.00 175.76 172.95 3ikj n ASP 331 N 4.80 2.87 -2.69 0.00 2.03 -0.64 0.27 116.55 123.18 3ikj n ASP 331 Ca -0.18 -2.77 -0.22 0.00 0.52 0.00 0.00 54.79 52.14 3ikj n ASP 331 Cb 0.51 -0.44 -0.00 0.00 -0.72 0.00 0.00 41.12 40.47 3ikj n ASP 331 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3ikj n SER 332 N -0.57 3.43 0.00 1.67 2.88 -1.25 -4.38 113.62 115.40 3ikj n SER 332 Ca 0.22 -3.39 -0.04 0.00 -1.33 0.00 0.00 58.87 54.33 3ikj n SER 332 Cb 0.85 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 3ikj n SER 332 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3ikj h THR 333 N 2.59 0.00 0.43 2.46 2.02 -1.82 -3.20 112.91 115.38 3ikj h THR 333 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3ikj h THR 333 Cb 0.91 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3ikj h THR 333 CO 0.72 0.00 -0.20 0.77 0.37 0.00 0.00 175.52 177.17 3ikj h SER 334 N -0.17 -0.48 -0.57 4.18 4.64 -1.93 -2.64 113.55 116.57 3ikj h SER 334 Ca 0.01 -0.05 0.17 0.00 -0.47 0.00 0.00 61.79 61.44 3ikj h SER 334 Cb 0.20 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3ikj h SER 334 CO -0.12 -0.25 0.79 0.03 -0.87 0.00 0.00 176.83 176.41 3ikj h ARG 335 N -0.70 0.00 -4.96 4.77 2.47 -1.86 -3.19 114.38 110.91 3ikj h ARG 335 Ca -0.06 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 57.95 3ikj h ARG 335 Cb 0.50 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.71 3ikj h ARG 335 CO 0.10 0.00 2.05 1.87 0.56 0.00 0.00 179.97 184.55 3ikj n TRP 336 N -3.31 4.40 -4.12 3.04 -0.00 -1.00 -4.91 117.44 111.55 3ikj n TRP 336 Ca 0.12 -3.02 -0.15 0.00 -0.00 0.00 0.00 57.50 54.45 3ikj n TRP 336 Cb 0.99 -2.40 -0.11 0.00 -0.00 0.00 0.00 31.31 29.78 3ikj n TRP 336 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ikj s ALA 337 N 2.77 0.85 0.04 5.87 0.00 -1.21 -5.02 121.76 125.06 3ikj s ALA 337 Ca 0.48 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 3ikj s ALA 337 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3ikj s ALA 337 CO 0.02 0.03 -0.00 -2.00 0.00 0.00 0.00 175.76 173.81 3ikj s GLU 338 N -1.88 0.50 0.18 0.00 2.56 -1.26 -4.90 118.70 113.90 3ikj s GLU 338 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 54.97 54.02 3ikj s GLU 338 Cb -0.08 0.18 -0.04 0.00 2.00 0.00 0.00 34.13 36.18 3ikj s GLU 338 CO 0.01 -0.10 0.06 0.00 -0.56 0.00 0.00 175.26 174.67 3ikj s ALA 339 N -2.77 1.23 -0.12 6.30 0.00 -1.26 -5.23 121.76 119.92 3ikj s ALA 339 Ca -0.04 -1.63 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 3ikj s ALA 339 Cb -0.00 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 3ikj s ALA 339 CO -0.06 -0.46 -0.20 -0.11 0.00 0.00 0.00 175.76 174.93 3ikj n LEU 340 N -0.24 1.33 0.00 0.00 -0.00 -1.26 -5.19 117.00 111.64 3ikj n LEU 340 Ca -0.03 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 3ikj n LEU 340 Cb 0.65 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 3ikj n LEU 340 CO 0.33 -0.39 0.00 -0.81 -0.00 0.00 0.00 177.39 176.52 3ikj n PRO 357 N -3.88 0.00 0.01 1.96 -0.04 -1.26 -5.29 135.00 126.50 3ikj n PRO 357 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 3ikj n PRO 357 Cb 0.30 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.67 3ikj n PRO 357 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ikj h ALA 358 N 0.00 -0.06 -1.10 0.55 0.00 -2.05 -3.17 119.26 113.43 3ikj h ALA 358 Ca 0.00 -0.23 0.32 0.00 0.00 0.00 0.00 54.91 55.00 3ikj h ALA 358 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ikj h ALA 358 CO 0.00 -0.29 0.92 1.88 0.00 0.00 0.00 179.25 181.76 3ikj h TYR 359 N -0.54 0.00 -1.38 0.00 0.05 -2.08 -1.96 116.97 111.05 3ikj h TYR 359 Ca -0.01 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.17 3ikj h TYR 359 Cb 0.49 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 37.82 3ikj h TYR 359 CO 0.08 0.00 -0.52 1.28 -1.05 0.00 0.00 178.16 177.95 3ikj n LEU 360 N -3.86 5.14 0.00 3.88 4.32 -1.20 -4.59 117.00 120.69 3ikj n LEU 360 Ca 0.24 -5.05 0.00 0.00 -0.02 0.00 0.00 56.01 51.18 3ikj n LEU 360 Cb 1.28 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 3ikj n LEU 360 CO 0.35 2.14 0.00 0.00 -1.22 0.00 0.00 177.39 178.66 3ikj n ALA 361 N -0.55 1.20 0.97 -1.18 0.00 -0.74 -4.63 120.51 115.58 3ikj n ALA 361 Ca 0.42 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.94 3ikj n ALA 361 Cb 0.69 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.60 3ikj n ALA 361 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ikj n SER 362 N -0.82 0.00 -0.04 0.00 3.41 -1.25 -1.48 113.62 113.45 3ikj n SER 362 Ca 0.00 -0.47 0.12 0.00 -0.26 0.00 0.00 58.87 58.26 3ikj n SER 362 Cb 0.00 -0.01 0.21 0.00 -0.26 0.00 0.00 64.21 64.15 3ikj n SER 362 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3ikj n LYS 363 N -1.01 0.13 -0.09 4.33 -0.00 -1.26 -2.80 118.16 117.46 3ikj n LYS 363 Ca 0.12 -0.08 -0.15 0.00 -0.00 0.00 0.00 58.31 58.19 3ikj n LYS 363 Cb 0.06 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.45 3ikj n LYS 363 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3ikj n LEU 364 N -1.36 1.81 0.18 -5.58 7.94 -0.55 -4.14 117.00 115.31 3ikj n LEU 364 Ca 0.06 0.03 -0.14 0.00 -1.11 0.00 0.00 56.01 54.85 3ikj n LEU 364 Cb 0.34 -0.41 -0.07 0.00 0.53 0.00 0.00 43.42 43.81 3ikj n LEU 364 CO 0.35 0.73 0.70 0.00 -1.11 0.00 0.00 177.39 178.06 3ikj h ALA 365 N 0.42 -0.53 0.00 1.96 0.00 -1.50 -2.34 119.26 117.27 3ikj h ALA 365 Ca -0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 3ikj h ALA 365 Cb 2.04 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 20.18 3ikj h ALA 365 CO -0.00 -0.83 -0.13 1.05 0.00 0.00 0.00 179.25 179.34 3ikj h GLU 366 N -0.54 0.00 -0.28 0.00 9.09 -1.76 0.05 114.58 121.14 3ikj h GLU 366 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.37 3ikj h GLU 366 Cb 0.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 3ikj h GLU 366 CO -0.04 0.13 0.05 0.35 0.05 0.00 0.00 179.01 179.54 3ikj h PHE 367 N 0.00 0.48 -0.34 2.06 3.57 -1.65 -3.00 116.94 118.07 3ikj h PHE 367 Ca -0.00 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 3ikj h PHE 367 Cb 0.71 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3ikj h PHE 367 CO 0.00 0.55 -0.20 1.88 -2.23 0.00 0.00 178.31 178.31 3ikj h TYR 368 N 0.27 0.70 0.00 0.41 0.05 -1.03 -2.33 116.97 115.05 3ikj h TYR 368 Ca 0.08 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3ikj h TYR 368 Cb 0.32 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3ikj h TYR 368 CO 0.02 0.78 0.03 -1.91 -1.05 0.00 0.00 178.16 176.03 3ikj n GLU 369 N -4.14 0.12 0.01 4.88 0.00 -0.03 -1.16 120.64 120.33 3ikj n GLU 369 Ca 0.00 0.62 0.12 0.00 0.00 0.00 0.00 57.16 57.90 3ikj n GLU 369 Cb 0.39 -1.93 0.26 0.00 0.00 0.00 0.00 31.44 30.16 3ikj n GLU 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3ikj n ARG 370 N -2.16 0.07 -1.88 5.31 1.74 -0.87 -4.81 116.66 114.05 3ikj n ARG 370 Ca -0.01 0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.70 3ikj n ARG 370 Cb 0.06 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 29.98 3ikj n ARG 370 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ikj s ALA 371 N -3.04 3.08 0.00 7.54 0.00 -0.31 -4.90 121.76 124.13 3ikj s ALA 371 Ca 0.10 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3ikj s ALA 371 Cb 0.17 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3ikj s ALA 371 CO 0.69 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3ikj n GLY 372 N 0.63 2.73 3.73 0.00 0.00 -0.89 -4.96 105.19 106.44 3ikj n GLY 372 Ca 0.07 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 3ikj n GLY 372 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ikj s ARG 373 N -2.00 4.27 0.05 1.61 3.52 -1.26 -1.10 118.95 124.04 3ikj s ARG 373 Ca 0.00 0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.88 3ikj s ARG 373 Cb 0.00 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3ikj s ARG 373 CO 0.00 0.23 -0.07 0.14 -0.81 0.00 0.00 175.30 174.79 3ikj s VAL 374 N 0.44 0.55 -0.11 7.11 -7.23 0.73 0.02 120.40 121.91 3ikj s VAL 374 Ca 0.21 -1.26 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 3ikj s VAL 374 Cb -0.14 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 3ikj s VAL 374 CO 0.07 -0.50 0.97 -0.69 -0.31 0.00 0.00 175.10 174.64 3ikj s VAL 375 N -1.88 4.81 0.59 1.32 1.01 0.44 -1.55 120.40 125.12 3ikj s VAL 375 Ca -0.06 1.97 -0.06 0.00 0.00 0.00 0.00 61.98 63.83 3ikj s VAL 375 Cb -0.07 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.04 3ikj s VAL 375 CO -0.01 0.02 0.89 0.42 0.00 0.00 0.00 175.10 176.42 3ikj s THR 376 N 1.97 3.65 0.57 3.92 -4.23 0.30 -1.17 115.64 120.66 3ikj s THR 376 Ca 0.47 -0.02 -0.21 0.00 -1.18 0.00 0.00 61.69 60.75 3ikj s THR 376 Cb -0.18 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 3ikj s THR 376 CO 0.17 -0.46 1.32 0.18 -0.54 0.00 0.00 174.62 175.29 3ikj n LEU 377 N -2.57 5.52 0.00 4.79 4.77 -1.26 -4.35 117.00 123.90 3ikj n LEU 377 Ca 0.04 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 3ikj n LEU 377 Cb 0.58 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 3ikj n LEU 377 CO 0.53 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 3ikj n GLY 378 N 0.83 2.95 0.09 -0.72 0.00 -0.88 -4.48 105.19 102.98 3ikj n GLY 378 Ca 0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 3ikj n GLY 378 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ikj h SER 379 N 0.00 0.00 -3.97 1.61 0.02 -1.89 -3.45 113.55 105.87 3ikj h SER 379 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 3ikj h SER 379 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3ikj h SER 379 CO 0.00 0.75 0.33 1.51 -1.14 0.00 0.00 176.83 178.27 3ikj s ASP 380 N -5.95 7.08 0.06 3.07 -4.77 -1.26 -5.04 116.67 109.86 3ikj s ASP 380 Ca -0.03 1.72 -0.31 0.00 -3.30 0.00 0.00 52.55 50.63 3ikj s ASP 380 Cb 0.08 -2.54 -0.06 0.00 -1.09 0.00 0.00 42.92 39.31 3ikj s ASP 380 CO 0.81 -0.24 1.33 -0.47 0.70 0.00 0.00 175.17 177.30 3ikj s TYR 381 N -1.95 3.19 -0.24 2.11 5.04 -1.26 -4.94 117.35 119.30 3ikj s TYR 381 Ca 0.57 1.03 -0.17 0.00 -2.44 0.00 0.00 57.07 56.06 3ikj s TYR 381 Cb -0.13 -3.59 0.07 0.00 0.35 0.00 0.00 41.96 38.66 3ikj s TYR 381 CO 0.17 -2.02 0.60 0.50 -1.34 0.00 0.00 175.55 173.46 3ikj s ARG 382 N 1.52 0.64 -0.04 4.97 3.52 -1.26 -5.05 118.95 123.25 3ikj s ARG 382 Ca 0.62 0.98 0.05 0.00 -0.13 0.00 0.00 55.73 57.25 3ikj s ARG 382 Cb -0.32 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.25 3ikj s ARG 382 CO 0.28 -0.12 -0.19 0.08 -0.81 0.00 0.00 175.30 174.54 3ikj s VAL 383 N 1.04 1.53 0.24 7.11 1.01 -1.26 0.11 120.40 130.19 3ikj s VAL 383 Ca -0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 3ikj s VAL 383 Cb -0.05 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 3ikj s VAL 383 CO -0.10 0.44 0.27 -0.83 0.00 0.00 0.00 175.10 174.88 3ikj s GLY 384 N -0.14 1.31 0.12 4.51 0.00 -0.60 -4.38 107.32 108.14 3ikj s GLY 384 Ca -0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.09 3ikj s GLY 384 CO 0.01 -1.17 0.30 -1.35 0.00 0.00 0.00 173.10 170.90 3ikj s SER 385 N -3.15 -0.06 -0.20 1.64 1.04 -0.95 -0.19 113.70 111.82 3ikj s SER 385 Ca 0.34 -0.52 -0.00 0.00 0.48 0.00 0.00 55.95 56.25 3ikj s SER 385 Cb 0.04 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.63 3ikj s SER 385 CO 0.14 -0.81 -0.04 -0.69 0.98 0.00 0.00 173.24 172.81 3ikj s VAL 386 N -3.85 1.25 -0.12 5.02 1.01 -0.26 -0.67 120.40 122.79 3ikj s VAL 386 Ca 0.05 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 3ikj s VAL 386 Cb 0.03 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3ikj s VAL 386 CO -0.10 -0.03 0.35 -0.44 0.00 0.00 0.00 175.10 174.88 3ikj s SER 387 N 1.54 6.56 -0.22 3.32 0.01 -0.08 -2.09 113.70 122.73 3ikj s SER 387 Ca -0.03 0.66 -0.08 0.00 1.31 0.00 0.00 55.95 57.81 3ikj s SER 387 Cb -0.17 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 3ikj s SER 387 CO -0.07 0.14 0.10 -0.69 0.41 0.00 0.00 173.24 173.13 3ikj s VAL 388 N 0.12 4.87 -0.32 3.43 1.01 -0.12 -0.28 120.40 129.11 3ikj s VAL 388 Ca 0.20 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3ikj s VAL 388 Cb -0.14 -3.25 0.08 0.00 0.00 0.00 0.00 36.38 33.08 3ikj s VAL 388 CO 0.07 0.38 0.01 -0.63 0.00 0.00 0.00 175.10 174.93 3ikj s ILE 389 N 0.98 2.40 -0.32 2.22 1.01 -0.13 -0.38 121.20 126.98 3ikj s ILE 389 Ca 0.05 -2.01 -0.14 0.00 0.00 0.00 0.00 60.65 58.56 3ikj s ILE 389 Cb -0.14 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3ikj s ILE 389 CO 0.03 -0.38 0.32 -0.83 0.00 0.00 0.00 174.94 174.08 3ikj s GLY 390 N 1.08 1.91 0.15 6.18 0.00 0.15 -1.87 107.32 114.93 3ikj s GLY 390 Ca 0.03 -1.15 -0.34 0.00 0.00 0.00 0.00 44.72 43.26 3ikj s GLY 390 CO -0.06 0.90 1.60 0.00 0.00 0.00 0.00 173.10 175.54 3ikj n ALA 391 N 5.28 1.37 -3.93 3.20 0.00 0.14 -1.16 120.51 125.40 3ikj n ALA 391 Ca -0.10 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 3ikj n ALA 391 Cb 0.50 -2.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.45 3ikj n ALA 391 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ikj s VAL 392 N 1.11 2.68 -0.45 0.00 -7.23 0.53 -4.54 120.40 112.51 3ikj s VAL 392 Ca 0.80 -3.38 -0.03 0.00 -1.81 0.00 0.00 61.98 57.55 3ikj s VAL 392 Cb -0.68 -2.84 0.12 0.00 0.56 0.00 0.00 36.38 33.54 3ikj s VAL 392 CO 0.39 -0.82 0.26 -0.44 -0.31 0.00 0.00 175.10 174.17 3ikj s SER 393 N -0.33 5.30 -0.13 4.85 0.01 -1.26 -3.15 113.70 118.99 3ikj s SER 393 Ca 0.18 -2.15 -0.23 0.00 1.31 0.00 0.00 55.95 55.05 3ikj s SER 393 Cb -0.24 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 3ikj s SER 393 CO -0.01 -0.53 0.72 -2.16 0.41 0.00 0.00 173.24 171.66 3ikj s PRO 394 N 0.97 4.34 0.24 12.44 0.04 -1.26 -4.36 135.00 147.41 3ikj s PRO 394 Ca 0.09 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.68 3ikj s PRO 394 Cb -0.23 -3.52 -0.11 0.00 0.04 0.00 0.00 34.50 30.68 3ikj s PRO 394 CO -0.04 -0.12 1.62 -2.14 0.04 0.00 0.00 177.00 176.36 3ikj s PRO 395 N 1.46 4.15 0.00 0.56 0.02 -1.26 -3.86 135.00 136.08 3ikj s PRO 395 Ca 0.35 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3ikj s PRO 395 Cb -0.17 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3ikj s PRO 395 CO 0.14 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3ikj n GLY 396 N 3.02 1.08 0.00 0.52 0.00 -1.26 -3.17 105.19 105.38 3ikj n GLY 396 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ikj n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikj n GLY 397 N 0.00 0.00 1.81 -0.02 0.00 -1.25 -5.02 105.19 100.71 3ikj n GLY 397 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ikj n GLY 397 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ikj n ASP 398 N 0.00 6.22 -0.69 1.61 2.03 -1.19 -4.56 116.55 119.97 3ikj n ASP 398 Ca 0.00 -2.92 0.13 0.00 0.52 0.00 0.00 54.79 52.52 3ikj n ASP 398 Cb 0.00 -1.07 0.35 0.00 -0.72 0.00 0.00 41.12 39.68 3ikj n ASP 398 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3ikj n PHE 399 N 0.60 0.05 -0.12 -0.67 7.35 -1.26 -4.42 117.46 119.00 3ikj n PHE 399 Ca 0.23 -0.03 -0.18 0.00 -0.76 0.00 0.00 57.45 56.72 3ikj n PHE 399 Cb 0.56 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.28 3ikj n PHE 399 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3ikj n SER 400 N 0.66 2.11 0.01 -2.13 7.64 -1.26 -4.91 113.62 115.73 3ikj n SER 400 Ca 0.17 -0.09 -0.01 0.00 1.01 0.00 0.00 58.87 59.95 3ikj n SER 400 Cb 0.45 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 3ikj n SER 400 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3ikj n GLU 401 N -3.29 0.03 -3.68 1.43 0.00 -1.26 -4.65 120.64 109.22 3ikj n GLU 401 Ca -0.43 0.01 -0.37 0.00 0.00 0.00 0.00 57.16 56.37 3ikj n GLU 401 Cb 0.94 -0.55 -0.07 0.00 0.00 0.00 0.00 31.44 31.77 3ikj n GLU 401 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3ikj s PRO 402 N -2.03 3.90 -1.35 3.44 0.04 -1.26 -4.03 135.00 133.71 3ikj s PRO 402 Ca -0.02 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.05 3ikj s PRO 402 Cb 0.01 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3ikj s PRO 402 CO 0.02 0.52 0.00 1.55 0.04 0.00 0.00 177.00 179.13 3ikj n VAL 403 N 2.68 -0.01 0.00 -0.36 3.14 -1.26 -4.82 118.33 117.70 3ikj n VAL 403 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 3ikj n VAL 403 Cb 0.53 -1.42 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 3ikj n VAL 403 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 3ikj n VAL 404 N -2.66 0.00 -0.08 1.55 0.24 -1.26 -4.46 118.33 111.66 3ikj n VAL 404 Ca -0.13 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 3ikj n VAL 404 Cb 0.42 0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 3ikj n VAL 404 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ikj n GLN 405 N -0.55 0.49 -0.04 7.34 1.13 -1.26 -4.28 117.38 120.22 3ikj n GLN 405 Ca 0.00 0.54 -0.15 0.00 -1.94 0.00 0.00 57.00 55.45 3ikj n GLN 405 Cb 0.00 -1.71 -0.08 0.00 0.11 0.00 0.00 30.24 28.56 3ikj n GLN 405 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 3ikj h ASN 406 N -1.00 0.61 -0.17 1.08 2.35 -1.89 -3.35 115.58 113.21 3ikj h ASN 406 Ca -0.13 -0.60 -0.02 0.00 -0.55 0.00 0.00 56.30 55.00 3ikj h ASN 406 Cb 0.79 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3ikj h ASN 406 CO -0.08 1.10 0.01 0.74 -1.65 0.00 0.00 177.43 177.56 3ikj h THR 407 N 0.14 1.24 0.00 2.81 2.02 -1.82 -3.09 112.91 114.21 3ikj h THR 407 Ca -0.01 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3ikj h THR 407 Cb 1.04 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3ikj h THR 407 CO 0.09 0.24 -0.07 -0.07 0.37 0.00 0.00 175.52 176.08 3ikj h LEU 408 N 0.07 0.00 -0.89 2.58 3.38 -1.76 -1.87 115.31 116.82 3ikj h LEU 408 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ikj h LEU 408 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ikj h LEU 408 CO 0.01 0.07 -0.12 -2.11 0.09 0.00 0.00 178.44 176.37 3ikj n ARG 409 N -3.64 1.40 -0.08 1.13 1.85 -1.23 -4.23 116.66 111.87 3ikj n ARG 409 Ca -0.02 -0.89 -0.11 0.00 -1.00 0.00 0.00 57.85 55.83 3ikj n ARG 409 Cb 0.17 -1.48 -0.08 0.00 -1.05 0.00 0.00 32.46 30.02 3ikj n ARG 409 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3ikj n VAL 410 N -0.02 0.98 -2.14 8.89 0.31 -0.96 -5.00 118.33 120.39 3ikj n VAL 410 Ca 0.15 -0.40 -0.35 0.00 -0.01 0.00 0.00 64.34 63.73 3ikj n VAL 410 Cb 0.38 -1.04 0.01 0.00 -0.91 0.00 0.00 33.84 32.28 3ikj n VAL 410 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3ikj s VAL 411 N -2.34 3.06 -0.70 2.52 -7.23 -0.74 -4.96 120.40 110.00 3ikj s VAL 411 Ca -0.21 0.64 0.21 0.00 -1.81 0.00 0.00 61.98 60.81 3ikj s VAL 411 Cb 0.06 -3.23 -0.26 0.00 0.56 0.00 0.00 36.38 33.50 3ikj s VAL 411 CO 0.42 -0.16 0.78 0.29 -0.31 0.00 0.00 175.10 176.12 3ikj n LYS 412 N -1.50 0.20 -4.20 4.82 4.76 -0.67 -4.93 118.16 116.64 3ikj n LYS 412 Ca 0.12 -0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.33 3ikj n LYS 412 Cb 0.51 -1.51 -0.15 0.00 -1.84 0.00 0.00 35.03 32.04 3ikj n LYS 412 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ikj s VAL 413 N -3.16 0.48 -0.07 -0.18 1.01 -0.81 -0.42 120.40 117.25 3ikj s VAL 413 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3ikj s VAL 413 Cb 0.15 -0.41 0.04 0.00 0.00 0.00 0.00 36.38 36.16 3ikj s VAL 413 CO 0.88 0.14 0.06 0.12 0.00 0.00 0.00 175.10 176.30 3ikj s PHE 414 N -0.08 0.14 -0.53 5.22 5.36 0.34 -1.06 117.98 127.38 3ikj s PHE 414 Ca 0.02 0.11 -0.16 0.00 -0.96 0.00 0.00 56.93 55.93 3ikj s PHE 414 Cb -0.03 -0.55 0.12 0.00 -0.34 0.00 0.00 43.02 42.22 3ikj s PHE 414 CO -0.00 -0.27 0.48 -1.58 -1.46 0.00 0.00 175.22 172.39 3ikj s TRP 415 N 2.15 3.25 -0.93 10.12 0.51 -0.49 -1.75 118.94 131.81 3ikj s TRP 415 Ca 0.04 -1.22 -0.22 0.00 -2.12 0.00 0.00 56.10 52.58 3ikj s TRP 415 Cb -0.13 -3.67 0.08 0.00 -0.81 0.00 0.00 33.47 28.94 3ikj s TRP 415 CO -0.04 -0.97 1.27 0.00 -0.51 0.00 0.00 176.95 176.69 3ikj s ALA 416 N 1.61 2.99 0.25 0.98 0.00 -1.26 -3.54 121.76 122.78 3ikj s ALA 416 Ca 0.03 -2.32 -0.30 0.00 0.00 0.00 0.00 51.96 49.37 3ikj s ALA 416 Cb -0.29 -4.27 -0.10 0.00 0.00 0.00 0.00 23.12 18.46 3ikj s ALA 416 CO 0.04 -3.28 1.49 -0.51 0.00 0.00 0.00 175.76 173.50 3ikj s LEU 417 N 4.13 4.37 -0.10 0.00 2.01 -0.95 -1.34 118.68 126.81 3ikj s LEU 417 Ca 0.38 2.73 -0.01 0.00 0.01 0.00 0.00 54.13 57.24 3ikj s LEU 417 Cb -0.04 -3.62 0.03 0.00 0.01 0.00 0.00 46.19 42.57 3ikj s LEU 417 CO -0.06 -0.76 -0.02 -0.62 1.01 0.00 0.00 176.35 175.90 3ikj s ASP 418 N 0.47 1.98 0.36 2.29 -1.08 -0.84 -4.31 116.67 115.54 3ikj s ASP 418 Ca 0.61 -0.26 0.15 0.00 -0.52 0.00 0.00 52.55 52.53 3ikj s ASP 418 Cb -0.43 -0.61 0.68 0.00 -1.46 0.00 0.00 42.92 41.10 3ikj s ASP 418 CO 0.43 -0.18 1.77 0.00 0.52 0.00 0.00 175.17 177.71 3ikj h ALA 419 N 8.26 1.17 -0.38 3.66 0.00 -1.94 -1.33 119.26 128.71 3ikj h ALA 419 Ca -0.23 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 3ikj h ALA 419 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ikj h ALA 419 CO 0.32 0.52 -0.27 0.22 0.00 0.00 0.00 179.25 180.04 3ikj h ASP 420 N 0.00 0.81 -0.64 0.00 3.58 -1.98 0.19 116.42 118.39 3ikj h ASP 420 Ca -0.00 -0.31 -0.07 0.00 0.42 0.00 0.00 57.03 57.07 3ikj h ASP 420 Cb 0.80 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 3ikj h ASP 420 CO 0.05 1.03 0.15 0.25 -2.88 0.00 0.00 179.24 177.85 3ikj h LEU 421 N 0.68 0.99 -0.43 2.28 5.85 -1.67 0.01 115.31 123.03 3ikj h LEU 421 Ca 0.08 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 3ikj h LEU 421 Cb 0.80 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3ikj h LEU 421 CO 0.07 0.96 0.01 0.00 -0.34 0.00 0.00 178.44 179.14 3ikj h ALA 422 N 1.16 0.58 -0.67 1.25 0.00 -0.91 0.52 119.26 121.19 3ikj h ALA 422 Ca 0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ikj h ALA 422 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ikj h ALA 422 CO 0.00 0.35 0.21 0.00 0.00 0.00 0.00 179.25 179.82 3ikj h ARG 423 N 0.59 1.03 0.00 0.00 3.08 -0.39 0.14 114.38 118.84 3ikj h ARG 423 Ca 0.12 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3ikj h ARG 423 Cb 0.47 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3ikj h ARG 423 CO 0.02 0.89 0.00 0.54 -1.07 0.00 0.00 179.97 180.35 3ikj n ARG 424 N -4.34 0.42 -2.35 0.04 1.74 -0.03 -4.88 116.66 107.26 3ikj n ARG 424 Ca 0.05 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.96 3ikj n ARG 424 Cb 0.21 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 3ikj n ARG 424 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ikj n ARG 425 N -0.97 -1.50 -3.25 5.56 5.12 0.50 -4.97 116.66 117.15 3ikj n ARG 425 Ca 0.10 0.80 -0.43 0.00 -1.93 0.00 0.00 57.85 56.38 3ikj n ARG 425 Cb 0.04 -5.23 -0.08 0.00 -1.16 0.00 0.00 32.46 26.04 3ikj n ARG 425 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3ikj s HIS 426 N -2.84 3.13 0.04 -1.55 2.46 0.09 -5.02 115.29 111.60 3ikj s HIS 426 Ca 0.02 -0.29 0.06 0.00 0.47 0.00 0.00 55.06 55.31 3ikj s HIS 426 Cb -0.01 -3.07 -0.02 0.00 -0.13 0.00 0.00 32.58 29.35 3ikj s HIS 426 CO 0.02 -0.77 -0.16 -0.06 -2.47 0.00 0.00 174.74 171.29 3ikj s PHE 427 N 2.37 1.43 0.59 3.88 0.40 -1.26 -2.73 117.98 122.66 3ikj s PHE 427 Ca 0.15 -0.35 -0.19 0.00 -0.60 0.00 0.00 56.93 55.94 3ikj s PHE 427 Cb -0.16 -0.86 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 3ikj s PHE 427 CO 0.15 0.05 1.23 -2.14 0.70 0.00 0.00 175.22 175.21 3ikj s PRO 428 N -1.07 2.99 -1.35 0.24 0.02 -1.25 -0.04 135.00 134.53 3ikj s PRO 428 Ca 0.04 1.88 -0.14 0.00 0.02 0.00 0.00 61.00 62.80 3ikj s PRO 428 Cb -0.08 -1.97 0.09 0.00 0.02 0.00 0.00 34.50 32.56 3ikj s PRO 428 CO 0.01 -1.21 1.91 0.00 -0.33 0.00 0.00 177.00 177.39 3ikj n ALA 429 N -1.51 4.74 -3.19 -1.55 0.00 -1.10 -4.89 120.51 113.00 3ikj n ALA 429 Ca 0.13 -4.01 -0.33 0.00 0.00 0.00 0.00 53.44 49.23 3ikj n ALA 429 Cb 0.49 -3.38 -0.15 0.00 0.00 0.00 0.00 19.45 16.42 3ikj n ALA 429 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ikj s ILE 430 N 2.67 2.92 -0.41 0.00 1.01 -1.26 -1.98 121.20 124.15 3ikj s ILE 430 Ca 0.47 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 3ikj s ILE 430 Cb 0.08 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3ikj s ILE 430 CO -0.01 0.52 0.90 0.21 0.00 0.00 0.00 174.94 176.56 3ikj s ASN 431 N 0.51 6.57 0.00 3.58 3.84 -0.45 -4.90 114.94 124.08 3ikj s ASN 431 Ca -0.09 0.32 0.27 0.00 0.21 0.00 0.00 52.86 53.56 3ikj s ASN 431 Cb -0.16 -2.44 1.52 0.00 -0.55 0.00 0.00 41.25 39.61 3ikj s ASN 431 CO 0.04 -0.93 1.94 -2.67 -2.79 0.00 0.00 177.10 172.70 3ikj n TRP 432 N 6.89 0.00 -0.05 0.43 2.14 -1.26 -1.83 117.44 123.77 3ikj n TRP 432 Ca 0.06 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.62 3ikj n TRP 432 Cb 0.48 -0.10 -0.12 0.00 -0.81 0.00 0.00 31.31 30.76 3ikj n TRP 432 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3ikj n LEU 433 N -1.10 0.00 -0.00 5.67 4.32 -1.26 -4.58 117.00 120.04 3ikj n LEU 433 Ca 0.18 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.23 3ikj n LEU 433 Cb 0.14 0.21 -0.09 0.00 -1.62 0.00 0.00 43.42 42.06 3ikj n LEU 433 CO 0.17 0.21 -0.16 0.35 -1.22 0.00 0.00 177.39 176.75 3ikj n THR 434 N -2.35 0.00 -1.67 -5.08 -2.24 -1.20 -4.97 114.28 96.77 3ikj n THR 434 Ca -0.15 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 3ikj n THR 434 Cb 0.75 0.84 0.10 0.00 -2.10 0.00 0.00 70.33 69.92 3ikj n THR 434 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ikj s SER 435 N -2.62 4.34 0.09 3.42 0.01 -0.76 -4.82 113.70 113.36 3ikj s SER 435 Ca 0.03 1.07 -0.25 0.00 1.31 0.00 0.00 55.95 58.11 3ikj s SER 435 Cb 0.11 -1.72 0.08 0.00 0.21 0.00 0.00 66.02 64.69 3ikj s SER 435 CO 0.60 -2.04 0.69 -0.72 0.41 0.00 0.00 173.24 172.18 3ikj s TYR 436 N -3.31 -0.49 -0.01 2.43 1.13 -0.72 -4.97 117.35 111.41 3ikj s TYR 436 Ca 0.62 0.36 0.01 0.00 -1.41 0.00 0.00 57.07 56.64 3ikj s TYR 436 Cb -0.13 0.54 0.01 0.00 -1.10 0.00 0.00 41.96 41.27 3ikj s TYR 436 CO 0.53 -0.74 -0.04 0.45 -2.51 0.00 0.00 175.55 173.24 3ikj s SER 437 N -2.54 0.55 -0.19 -0.18 0.15 -1.26 -0.51 113.70 109.72 3ikj s SER 437 Ca 0.01 -0.07 0.16 0.00 0.70 0.00 0.00 55.95 56.74 3ikj s SER 437 Cb -0.01 -0.14 0.75 0.00 -1.71 0.00 0.00 66.02 64.91 3ikj s SER 437 CO -0.10 0.01 1.67 0.18 1.20 0.00 0.00 173.24 176.19 3ikj n LEU 438 N 3.35 5.17 -1.11 3.45 4.77 0.44 -4.06 117.00 129.00 3ikj n LEU 438 Ca -0.17 -2.79 0.11 0.00 -0.03 0.00 0.00 56.01 53.13 3ikj n LEU 438 Cb 0.56 -0.63 0.22 0.00 -2.33 0.00 0.00 43.42 41.24 3ikj n LEU 438 CO 0.25 0.69 0.70 -1.22 -1.33 0.00 0.00 177.39 176.47 3ikj n TYR 439 N 0.62 0.57 -0.07 -1.77 4.01 -1.26 -4.69 117.16 114.57 3ikj n TYR 439 Ca 0.26 -0.32 -0.07 0.00 -0.16 0.00 0.00 57.90 57.61 3ikj n TYR 439 Cb 1.06 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.08 3ikj n TYR 439 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ikj h VAL 440 N 4.07 0.84 -0.00 -0.72 2.07 -1.87 -1.37 116.25 119.27 3ikj h VAL 440 Ca 0.00 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.31 3ikj h VAL 440 Cb 0.94 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3ikj h VAL 440 CO 0.00 0.02 -0.79 0.44 0.02 0.00 0.00 177.57 177.26 3ikj h ASP 441 N 0.13 0.05 -0.03 0.57 3.32 -1.93 -2.45 116.42 116.08 3ikj h ASP 441 Ca 0.13 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3ikj h ASP 441 Cb 0.15 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3ikj h ASP 441 CO -0.19 0.82 -0.14 0.00 -1.72 0.00 0.00 179.24 178.01 3ikj h ALA 442 N 1.17 1.37 0.00 3.45 0.00 -1.72 -3.28 119.26 120.25 3ikj h ALA 442 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ikj h ALA 442 Cb 1.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ikj h ALA 442 CO 0.11 0.43 -0.90 1.33 0.00 0.00 0.00 179.25 180.21 3ikj n VAL 443 N -4.23 0.00 -0.20 0.00 0.24 -0.56 -4.14 118.33 109.45 3ikj n VAL 443 Ca -0.00 -0.06 0.07 0.00 -2.04 0.00 0.00 64.34 62.31 3ikj n VAL 443 Cb 0.30 0.98 0.36 0.00 -1.47 0.00 0.00 33.84 34.01 3ikj n VAL 443 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3ikj h LYS 444 N 0.00 0.72 -0.48 7.34 2.10 -1.50 -2.52 116.57 122.23 3ikj h LYS 444 Ca 0.00 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 3ikj h LYS 444 Cb 0.45 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.60 3ikj h LYS 444 CO 0.00 0.48 -0.05 0.22 -2.00 0.00 0.00 179.45 178.10 3ikj h ASP 445 N 0.75 0.88 -0.42 7.07 3.58 -1.81 0.32 116.42 126.78 3ikj h ASP 445 Ca 0.34 -0.33 0.08 0.00 0.42 0.00 0.00 57.03 57.54 3ikj h ASP 445 Cb 0.34 -0.24 -0.08 0.00 1.72 0.00 0.00 39.33 41.07 3ikj h ASP 445 CO -0.12 1.00 -0.09 -0.25 -2.88 0.00 0.00 179.24 176.90 3ikj h TRP 446 N 0.74 -0.19 -0.69 0.28 7.01 -1.77 0.23 115.95 121.56 3ikj h TRP 446 Ca 0.13 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 3ikj h TRP 446 Cb 0.58 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 3ikj h TRP 446 CO 0.04 -0.17 0.39 -1.49 -2.79 0.00 0.00 178.44 174.43 3ikj h TRP 447 N 0.02 0.93 -0.29 2.65 4.06 -1.15 -2.62 115.95 119.54 3ikj h TRP 447 Ca 0.21 -0.01 -0.12 0.00 2.06 0.00 0.00 58.89 61.03 3ikj h TRP 447 Cb 0.31 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 3ikj h TRP 447 CO -0.36 0.65 -0.27 0.45 -3.56 0.00 0.00 178.44 175.36 3ikj h HIS 448 N 0.94 0.84 -0.34 0.49 3.86 0.09 0.15 115.15 121.19 3ikj h HIS 448 Ca 0.25 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3ikj h HIS 448 Cb 0.01 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3ikj h HIS 448 CO -0.01 0.98 0.11 -0.22 0.86 0.00 0.00 177.93 179.66 3ikj h LYS 449 N 0.45 0.52 0.00 2.45 3.64 -0.53 -3.26 116.57 119.83 3ikj h LYS 449 Ca 0.05 -0.11 -0.25 0.00 -1.27 0.00 0.00 60.65 59.07 3ikj h LYS 449 Cb 0.83 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 3ikj h LYS 449 CO 0.07 0.54 -1.82 0.09 -2.27 0.00 0.00 179.45 176.06 3ikj n ASN 450 N -4.67 1.14 -0.20 4.20 4.13 -0.99 -4.78 115.26 114.09 3ikj n ASN 450 Ca -0.01 0.20 -0.09 0.00 1.68 0.00 0.00 54.58 56.35 3ikj n ASN 450 Cb 0.16 -0.47 0.02 0.00 -1.54 0.00 0.00 39.78 37.95 3ikj n ASN 450 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3ikj h ILE 451 N -0.57 1.26 0.00 2.41 1.08 -1.17 -3.48 117.51 117.03 3ikj h ILE 451 Ca -0.38 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 3ikj h ILE 451 Cb 1.31 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 3ikj h ILE 451 CO -0.23 0.37 0.00 -0.67 -0.69 0.00 0.00 178.15 176.93 3ikj n ASP 452 N -4.31 0.00 0.00 1.72 -0.08 0.34 -4.85 116.55 109.37 3ikj n ASP 452 Ca 0.02 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.41 3ikj n ASP 452 Cb 0.29 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.80 3ikj n ASP 452 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3ikj n PRO 453 N -0.16 0.02 -0.28 -0.67 -0.02 -1.23 -2.35 135.00 130.31 3ikj n PRO 453 Ca 0.00 -0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 3ikj n PRO 453 Cb 0.00 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.17 3ikj n PRO 453 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ikj n GLU 454 N -1.53 2.93 -0.07 -0.52 -0.58 -1.26 -4.75 120.64 114.86 3ikj n GLU 454 Ca 0.05 -2.33 -0.07 0.00 -0.42 0.00 0.00 57.16 54.38 3ikj n GLU 454 Cb 0.34 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.73 3ikj n GLU 454 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 3ikj h TRP 455 N 2.04 -0.48 -0.18 -0.32 7.01 -1.90 0.19 115.95 122.31 3ikj h TRP 455 Ca 0.00 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 3ikj h TRP 455 Cb 0.98 0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 28.29 3ikj h TRP 455 CO 0.34 -0.26 0.01 -0.22 -2.79 0.00 0.00 178.44 175.51 3ikj h LYS 456 N -0.16 0.32 -0.72 2.65 1.63 -1.89 -0.65 116.57 117.75 3ikj h LYS 456 Ca 0.15 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 59.93 3ikj h LYS 456 Cb 0.40 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.93 3ikj h LYS 456 CO -0.39 0.51 0.39 0.00 -3.45 0.00 0.00 179.45 176.52 3ikj h ALA 457 N 0.79 0.99 -0.15 5.00 0.00 -1.82 -0.60 119.26 123.46 3ikj h ALA 457 Ca 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ikj h ALA 457 Cb 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ikj h ALA 457 CO 0.01 0.04 -0.06 0.52 0.00 0.00 0.00 179.25 179.76 3ikj h MET 458 N 0.69 0.31 -0.74 0.00 2.86 -0.44 -0.62 114.93 117.00 3ikj h MET 458 Ca 0.34 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.92 3ikj h MET 458 Cb 0.27 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 3ikj h MET 458 CO -0.22 0.62 0.42 0.07 1.06 0.00 0.00 176.91 178.86 3ikj h ARG 459 N -0.01 0.73 -0.44 1.72 -0.00 -0.81 -0.99 114.38 114.57 3ikj h ARG 459 Ca 0.04 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 3ikj h ARG 459 Cb 0.52 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.97 30.31 3ikj h ARG 459 CO 0.02 0.48 0.18 -0.44 -0.00 0.00 0.00 179.97 180.21 3ikj h ASP 460 N 0.75 0.61 -0.84 0.08 3.32 -1.01 0.27 116.42 119.60 3ikj h ASP 460 Ca 0.34 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3ikj h ASP 460 Cb 0.23 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3ikj h ASP 460 CO -0.20 0.61 0.40 0.50 -1.72 0.00 0.00 179.24 178.84 3ikj h LYS 461 N 0.57 1.21 -0.11 3.56 3.64 -0.89 -0.90 116.57 123.66 3ikj h LYS 461 Ca 0.15 -0.18 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 3ikj h LYS 461 Cb 0.19 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3ikj h LYS 461 CO -0.01 0.93 -0.57 0.00 -2.27 0.00 0.00 179.45 177.53 3ikj h ALA 462 N 1.22 0.82 -0.53 5.00 0.00 -0.07 -2.40 119.26 123.29 3ikj h ALA 462 Ca 0.29 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3ikj h ALA 462 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ikj h ALA 462 CO -0.04 0.70 -0.07 1.98 0.00 0.00 0.00 179.25 181.83 3ikj h MET 463 N 0.26 0.98 -1.01 0.00 1.85 -0.28 -1.95 114.93 114.79 3ikj h MET 463 Ca 0.00 -0.35 0.04 0.00 -0.61 0.00 0.00 59.70 58.78 3ikj h MET 463 Cb 1.08 -0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.98 3ikj h MET 463 CO 0.09 1.02 0.66 0.00 -0.40 0.00 0.00 176.91 178.29 3ikj h ALA 464 N 0.93 1.34 -0.22 0.39 0.00 -0.92 0.22 119.26 121.00 3ikj h ALA 464 Ca 0.14 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3ikj h ALA 464 Cb 0.62 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ikj h ALA 464 CO 0.04 0.57 -0.54 1.25 0.00 0.00 0.00 179.25 180.56 3ikj h LEU 465 N 1.28 0.72 -0.88 0.00 5.85 -1.30 0.23 115.31 121.20 3ikj h LEU 465 Ca 0.40 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3ikj h LEU 465 Cb -0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3ikj h LEU 465 CO -0.12 1.12 0.10 -0.07 -0.34 0.00 0.00 178.44 179.12 3ikj h LEU 466 N 0.50 0.88 -0.46 2.25 3.38 -0.49 0.10 115.31 121.46 3ikj h LEU 466 Ca 0.01 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3ikj h LEU 466 Cb 1.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3ikj h LEU 466 CO 0.11 0.88 -0.19 1.56 0.09 0.00 0.00 178.44 180.89 3ikj h GLN 467 N 0.87 0.95 0.26 1.13 1.08 -0.25 -2.29 115.11 116.87 3ikj h GLN 467 Ca 0.18 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 3ikj h GLN 467 Cb 0.38 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3ikj h GLN 467 CO 0.01 1.07 -0.12 -0.22 -0.95 0.00 0.00 178.83 178.61 3ikj h LYS 468 N 0.79 -0.34 -0.67 1.46 1.63 -0.35 -2.47 116.57 116.63 3ikj h LYS 468 Ca 0.11 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.07 3ikj h LYS 468 Cb 0.76 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 32.36 3ikj h LYS 468 CO 0.06 -0.19 0.05 1.49 -3.45 0.00 0.00 179.45 177.41 3ikj h GLU 469 N -0.39 0.15 -0.36 1.90 4.81 -0.73 -0.80 114.58 119.16 3ikj h GLU 469 Ca -0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ikj h GLU 469 Cb 0.30 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3ikj h GLU 469 CO 0.06 0.10 0.20 1.03 -0.73 0.00 0.00 179.01 179.67 3ikj h SER 470 N 0.16 0.44 -0.25 1.04 0.87 -1.09 -0.89 113.55 113.82 3ikj h SER 470 Ca 0.36 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.90 3ikj h SER 470 Cb 0.60 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 3ikj h SER 470 CO -0.54 0.38 -0.07 -0.08 -0.53 0.00 0.00 176.83 176.00 3ikj h GLU 471 N 0.45 -0.01 -0.94 2.24 4.81 -1.05 -2.61 114.58 117.49 3ikj h GLU 471 Ca 0.13 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3ikj h GLU 471 Cb 0.04 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 3ikj h GLU 471 CO -0.02 -0.01 0.61 -0.07 -0.73 0.00 0.00 179.01 178.79 3ikj h LEU 472 N -0.01 0.94 -0.60 1.64 3.38 -0.86 -1.61 115.31 118.20 3ikj h LEU 472 Ca 0.12 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3ikj h LEU 472 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ikj h LEU 472 CO -0.27 0.59 -0.48 1.56 0.09 0.00 0.00 178.44 179.93 3ikj h GLN 473 N 1.06 0.54 0.87 1.13 4.20 -1.01 -0.77 115.11 121.13 3ikj h GLN 473 Ca 0.41 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 3ikj h GLN 473 Cb 0.21 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3ikj h GLN 473 CO -0.16 0.91 -0.48 1.49 -0.67 0.00 0.00 178.83 179.91 3ikj h GLU 474 N 0.43 -1.21 -0.86 1.46 4.22 -1.09 -0.41 114.58 117.12 3ikj h GLU 474 Ca 0.02 0.08 0.21 0.00 0.08 0.00 0.00 59.36 59.76 3ikj h GLU 474 Cb 1.00 0.27 -0.13 0.00 0.50 0.00 0.00 28.75 30.40 3ikj h GLU 474 CO 0.09 -0.80 0.31 0.82 -2.18 0.00 0.00 179.01 177.25 3ikj h ILE 475 N -1.25 0.43 0.00 2.32 2.04 -1.23 0.28 117.51 120.10 3ikj h ILE 475 Ca -0.12 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3ikj h ILE 475 Cb 0.98 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3ikj h ILE 475 CO 0.16 0.06 -0.19 0.58 0.00 0.00 0.00 178.15 178.75 3ikj h VAL 476 N 0.32 0.39 -0.45 1.67 2.07 -0.95 -0.27 116.25 119.03 3ikj h VAL 476 Ca 0.53 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 3ikj h VAL 476 Cb 1.02 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 3ikj h VAL 476 CO -0.56 0.19 0.01 -0.09 0.02 0.00 0.00 177.57 177.14 3ikj h ARG 477 N 0.00 0.80 0.31 1.57 2.43 0.13 -1.00 114.38 118.62 3ikj h ARG 477 Ca -0.00 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 3ikj h ARG 477 Cb 0.92 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3ikj h ARG 477 CO 0.03 0.85 -0.15 0.82 -1.51 0.00 0.00 179.97 180.01 3ikj h ILE 478 N 0.65 0.40 -0.03 1.20 2.04 -1.09 -3.40 117.51 117.28 3ikj h ILE 478 Ca 0.13 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3ikj h ILE 478 Cb 0.48 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3ikj h ILE 478 CO 0.02 0.10 -0.02 1.33 0.00 0.00 0.00 178.15 179.58 3ikj n VAL 479 N -5.06 0.00 0.00 1.67 0.24 -0.16 -5.09 118.33 109.93 3ikj n VAL 479 Ca -0.07 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3ikj n VAL 479 Cb 0.24 1.45 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 3ikj n VAL 479 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ikj n GLY 480 N 1.24 -1.83 0.15 7.63 0.00 -0.38 -4.83 105.19 107.17 3ikj n GLY 480 Ca 0.13 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.74 3ikj n GLY 480 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ikj n PRO 481 N -1.58 0.47 0.14 1.61 -0.04 -1.26 -4.57 135.00 129.77 3ikj n PRO 481 Ca 0.00 -0.30 0.03 0.00 -0.04 0.00 0.00 63.50 63.19 3ikj n PRO 481 Cb 0.00 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.00 3ikj n PRO 481 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ikj h ASP 482 N 0.74 0.00 -0.51 3.54 3.32 -1.98 -2.99 116.42 118.54 3ikj h ASP 482 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3ikj h ASP 482 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3ikj h ASP 482 CO 0.00 0.45 0.05 0.00 -1.72 0.00 0.00 179.24 178.02 3ikj n ALA 483 N -2.22 3.79 -2.62 3.45 0.00 -1.26 -4.95 120.51 116.70 3ikj n ALA 483 Ca 0.02 -1.67 -0.42 0.00 0.00 0.00 0.00 53.44 51.36 3ikj n ALA 483 Cb 0.72 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3ikj n ALA 483 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ikj s LEU 484 N -2.35 4.33 0.83 0.00 2.96 -1.13 -5.03 118.68 118.30 3ikj s LEU 484 Ca 0.46 1.72 -0.11 0.00 -0.22 0.00 0.00 54.13 55.97 3ikj s LEU 484 Cb 0.35 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.57 3ikj s LEU 484 CO 0.13 -0.38 1.09 -2.84 -1.32 0.00 0.00 176.35 173.03 3ikj s PRO 485 N 1.37 1.77 0.17 0.98 0.02 -1.26 -4.81 135.00 133.24 3ikj s PRO 485 Ca 0.53 0.84 -0.15 0.00 0.02 0.00 0.00 61.00 62.23 3ikj s PRO 485 Cb -0.22 -1.87 0.10 0.00 0.02 0.00 0.00 34.50 32.53 3ikj s PRO 485 CO 0.25 -1.89 1.74 0.93 -0.33 0.00 0.00 177.00 177.71 3ikj h GLU 486 N -1.29 0.27 -0.71 5.54 4.39 -1.98 0.40 114.58 121.20 3ikj h GLU 486 Ca -0.47 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.31 3ikj h GLU 486 Cb 1.27 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 3ikj h GLU 486 CO 0.56 0.18 0.33 -0.09 -1.16 0.00 0.00 179.01 178.83 3ikj h ARG 487 N 0.28 0.54 -0.12 2.33 2.43 -1.98 0.12 114.38 117.97 3ikj h ARG 487 Ca 0.19 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.12 3ikj h ARG 487 Cb 0.19 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3ikj h ARG 487 CO -0.21 0.36 -0.78 0.93 -1.51 0.00 0.00 179.97 178.76 3ikj h GLU 488 N 0.55 0.66 -0.26 0.20 4.39 -1.64 -2.01 114.58 116.48 3ikj h GLU 488 Ca 0.36 -0.55 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 3ikj h GLU 488 Cb 0.41 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3ikj h GLU 488 CO -0.29 1.17 0.06 0.00 -1.16 0.00 0.00 179.01 178.78 3ikj h ARG 489 N 0.45 0.37 -0.27 2.33 3.08 -0.14 -2.41 114.38 117.79 3ikj h ARG 489 Ca -0.05 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 3ikj h ARG 489 Cb 1.39 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3ikj h ARG 489 CO 0.15 0.35 -0.43 0.00 -1.07 0.00 0.00 179.97 178.97 3ikj h ALA 490 N 1.70 0.75 -0.51 0.04 0.00 -0.36 -1.64 119.26 119.24 3ikj h ALA 490 Ca 0.09 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3ikj h ALA 490 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ikj h ALA 490 CO -0.00 0.66 0.13 0.82 0.00 0.00 0.00 179.25 180.86 3ikj h ILE 491 N 0.54 1.24 -0.35 0.00 2.04 -1.03 -0.88 117.51 119.06 3ikj h ILE 491 Ca 0.04 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 3ikj h ILE 491 Cb 0.96 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3ikj h ILE 491 CO 0.09 0.31 -0.11 -0.07 0.00 0.00 0.00 178.15 178.37 3ikj h LEU 492 N 0.70 0.59 0.15 1.44 3.38 -1.22 -0.24 115.31 120.11 3ikj h LEU 492 Ca 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ikj h LEU 492 Cb 0.33 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ikj h LEU 492 CO 0.00 0.74 -0.07 0.25 0.09 0.00 0.00 178.44 179.45 3ikj h LEU 493 N 0.56 -0.17 -0.71 1.67 7.12 -1.11 -2.30 115.31 120.38 3ikj h LEU 493 Ca 0.10 -0.26 -0.09 0.00 0.13 0.00 0.00 57.88 57.77 3ikj h LEU 493 Cb 0.52 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 3ikj h LEU 493 CO 0.03 0.18 0.04 0.58 -0.13 0.00 0.00 178.44 179.14 3ikj h VAL 494 N -0.53 1.26 -0.78 1.05 2.07 -1.14 -1.96 116.25 116.23 3ikj h VAL 494 Ca -0.02 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3ikj h VAL 494 Cb 0.41 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3ikj h VAL 494 CO 0.03 0.40 0.49 0.00 0.02 0.00 0.00 177.57 178.51 3ikj h ALA 495 N 1.08 1.41 -0.35 1.67 0.00 -1.07 -0.56 119.26 121.44 3ikj h ALA 495 Ca 0.18 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3ikj h ALA 495 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ikj h ALA 495 CO 0.02 0.53 -0.31 -0.09 0.00 0.00 0.00 179.25 179.41 3ikj h ARG 496 N 1.06 0.76 -0.86 0.00 2.43 -0.95 0.46 114.38 117.28 3ikj h ARG 496 Ca 0.28 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3ikj h ARG 496 Cb -0.08 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3ikj h ARG 496 CO -0.06 0.97 0.52 0.52 -1.51 0.00 0.00 179.97 180.41 3ikj h MET 497 N 0.64 1.15 -0.14 0.20 2.86 -0.61 -0.34 114.93 118.71 3ikj h MET 497 Ca 0.07 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3ikj h MET 497 Cb 0.84 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3ikj h MET 497 CO 0.07 0.80 0.04 -0.07 1.06 0.00 0.00 176.91 178.82 3ikj h LEU 498 N 1.18 0.05 0.01 1.22 3.38 -0.16 0.10 115.31 121.09 3ikj h LEU 498 Ca 0.31 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.30 3ikj h LEU 498 Cb -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ikj h LEU 498 CO -0.06 0.05 -0.07 0.03 0.09 0.00 0.00 178.44 178.48 3ikj h ARG 499 N 0.11 -0.12 0.01 1.13 3.08 -0.63 -0.59 114.38 117.37 3ikj h ARG 499 Ca 0.06 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3ikj h ARG 499 Cb 0.03 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3ikj h ARG 499 CO -0.06 -0.08 -0.12 0.93 -1.07 0.00 0.00 179.97 179.57 3ikj h GLU 500 N -0.12 0.07 -0.11 0.04 5.08 -1.00 -0.57 114.58 117.97 3ikj h GLU 500 Ca 0.02 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3ikj h GLU 500 Cb 0.15 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ikj h GLU 500 CO -0.06 0.93 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.28 3ikj h ASP 501 N -0.76 0.33 0.00 1.42 3.32 -0.93 -3.39 116.42 116.41 3ikj h ASP 501 Ca -0.02 -0.53 -0.38 0.00 0.02 0.00 0.00 57.03 56.13 3ikj h ASP 501 Cb 0.98 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 3ikj h ASP 501 CO 0.02 0.79 -2.30 0.00 -1.72 0.00 0.00 179.24 176.03 3ikj n TYR 502 N -4.57 0.00 -0.25 4.55 9.36 -0.82 -4.67 117.16 120.77 3ikj n TYR 502 Ca -0.07 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.08 3ikj n TYR 502 Cb 0.38 -0.85 0.04 0.00 -0.63 0.00 0.00 39.34 38.28 3ikj n TYR 502 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3ikj h LEU 503 N -0.59 0.99 -9.50 2.98 4.07 -0.77 -3.42 115.31 109.06 3ikj h LEU 503 Ca -0.57 -0.20 -0.54 0.00 0.08 0.00 0.00 57.88 56.65 3ikj h LEU 503 Cb 1.60 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 43.05 3ikj h LEU 503 CO -0.28 0.93 0.26 -1.10 -1.08 0.00 0.00 178.44 177.17 3ikj s GLN 504 N -5.43 4.57 -0.04 1.13 -0.21 -0.25 -4.31 119.66 115.13 3ikj s GLN 504 Ca -0.12 1.24 -0.03 0.00 0.02 0.00 0.00 55.36 56.47 3ikj s GLN 504 Cb 0.14 -3.40 0.01 0.00 1.00 0.00 0.00 33.01 30.77 3ikj s GLN 504 CO 0.83 0.17 0.10 -1.14 -2.12 0.00 0.00 175.29 173.13 3ikj s GLN 505 N 0.26 0.10 -0.52 2.91 0.74 0.94 -4.79 119.66 119.29 3ikj s GLN 505 Ca 0.44 0.17 -0.17 0.00 0.05 0.00 0.00 55.36 55.85 3ikj s GLN 505 Cb -0.21 -0.00 0.10 0.00 1.10 0.00 0.00 33.01 33.99 3ikj s GLN 505 CO 0.26 -0.05 0.52 0.34 -0.55 0.00 0.00 175.29 175.81 3ikj s ASP 506 N 0.29 6.18 0.57 6.67 -1.08 -1.26 -3.97 116.67 124.07 3ikj s ASP 506 Ca -0.02 -1.47 0.32 0.00 -0.52 0.00 0.00 52.55 50.86 3ikj s ASP 506 Cb -0.03 -2.23 1.75 0.00 -1.46 0.00 0.00 42.92 40.95 3ikj s ASP 506 CO -0.01 -0.84 2.18 0.00 0.52 0.00 0.00 175.17 177.02 3ikj h ALA 507 N 8.91 1.28 -0.10 3.66 0.00 -1.90 -2.60 119.26 128.51 3ikj h ALA 507 Ca -0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ikj h ALA 507 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ikj h ALA 507 CO 0.99 0.07 0.00 1.19 0.00 0.00 0.00 179.25 181.49 3ikj n PHE 508 N -3.56 0.12 -4.19 0.00 3.72 -1.26 -4.55 117.46 107.74 3ikj n PHE 508 Ca -0.02 -0.06 -0.33 0.00 -0.05 0.00 0.00 57.45 56.99 3ikj n PHE 508 Cb 0.16 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.62 3ikj n PHE 508 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ikj s ASP 509 N -1.76 5.40 0.34 4.37 2.15 -0.99 -5.01 116.67 121.15 3ikj s ASP 509 Ca 0.35 0.07 0.17 0.00 0.43 0.00 0.00 52.55 53.57 3ikj s ASP 509 Cb 0.19 -1.48 0.48 0.00 -0.30 0.00 0.00 42.92 41.81 3ikj s ASP 509 CO 0.30 0.27 1.64 1.05 -0.17 0.00 0.00 175.17 178.26 3ikj h GLU 510 N 4.20 0.00 0.04 4.34 4.11 -1.91 -1.94 114.58 123.43 3ikj h GLU 510 Ca -0.49 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.68 3ikj h GLU 510 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3ikj h GLU 510 CO 0.60 0.44 -1.44 0.28 0.07 0.00 0.00 179.01 178.96 3ikj h VAL 511 N 0.00 0.86 -0.01 -1.06 2.07 -1.91 -3.41 116.25 112.79 3ikj h VAL 511 Ca -0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 3ikj h VAL 511 Cb 1.06 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 3ikj h VAL 511 CO 0.06 0.49 -0.00 -0.67 0.02 0.00 0.00 177.57 177.47 3ikj n ASP 512 N -4.16 0.53 0.29 0.57 2.03 -1.15 -3.04 116.55 111.62 3ikj n ASP 512 Ca -0.31 -1.15 0.19 0.00 0.52 0.00 0.00 54.79 54.03 3ikj n ASP 512 Cb 0.79 -0.00 0.82 0.00 -0.72 0.00 0.00 41.12 42.00 3ikj n ASP 512 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ikj h THR 513 N 0.82 0.00 -3.53 5.18 1.03 -1.21 -3.37 112.91 111.83 3ikj h THR 513 Ca 0.00 -0.37 -0.26 0.00 -0.01 0.00 0.00 66.41 65.77 3ikj h THR 513 Cb 0.18 1.36 -0.31 0.00 -1.07 0.00 0.00 68.15 68.31 3ikj h THR 513 CO 0.00 0.00 -0.69 -0.47 -0.01 0.00 0.00 175.52 174.35 3ikj s TYR 514 N -3.78 -0.02 -0.31 0.00 5.04 -1.17 -4.89 117.35 112.21 3ikj s TYR 514 Ca -0.00 0.17 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 3ikj s TYR 514 Cb 0.10 -0.12 0.09 0.00 0.35 0.00 0.00 41.96 42.37 3ikj s TYR 514 CO 0.50 -0.07 0.00 0.00 -1.34 0.00 0.00 175.55 174.64 3ikj s PRO 516 N 0.99 2.34 0.27 0.00 0.02 -1.26 -4.46 135.00 132.90 3ikj s PRO 516 Ca 0.04 1.83 -0.09 0.00 0.02 0.00 0.00 61.00 62.80 3ikj s PRO 516 Cb -0.20 -1.85 0.42 0.00 0.02 0.00 0.00 34.50 32.90 3ikj s PRO 516 CO -0.07 -1.70 1.57 -1.35 -0.33 0.00 0.00 177.00 175.13 3ikj h PRO 517 N 0.04 0.00 -0.82 5.54 0.11 -1.99 -0.44 132.00 134.44 3ikj h PRO 517 Ca -0.49 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ikj h PRO 517 Cb 1.30 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 3ikj h PRO 517 CO 0.51 0.00 0.51 1.49 -0.21 0.00 0.00 178.00 180.30 3ikj h GLU 518 N 0.00 1.11 -0.43 1.05 4.81 -1.90 -1.79 114.58 117.44 3ikj h GLU 518 Ca 0.45 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.45 3ikj h GLU 518 Cb 0.69 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3ikj h GLU 518 CO -0.96 0.77 -0.29 -0.22 -0.73 0.00 0.00 179.01 177.58 3ikj h LYS 519 N 1.13 0.93 -0.33 1.92 3.64 -1.47 -2.93 116.57 119.47 3ikj h LYS 519 Ca 0.30 -0.44 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3ikj h LYS 519 Cb -0.07 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3ikj h LYS 519 CO -0.06 1.10 0.21 1.96 -2.27 0.00 0.00 179.45 180.39 3ikj h GLN 520 N 0.79 0.42 -0.14 1.90 4.20 -0.41 -0.82 115.11 121.05 3ikj h GLN 520 Ca 0.09 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 3ikj h GLN 520 Cb 0.87 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3ikj h GLN 520 CO 0.08 0.28 -0.42 -0.39 -0.67 0.00 0.00 178.83 177.71 3ikj h VAL 521 N 0.43 1.31 -0.17 -0.54 -1.51 -1.46 -1.77 116.25 112.55 3ikj h VAL 521 Ca 0.12 -1.56 -0.15 0.00 -1.23 0.00 0.00 66.70 63.88 3ikj h VAL 521 Cb -0.04 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3ikj h VAL 521 CO -0.04 0.47 -0.50 0.74 -1.23 0.00 0.00 177.57 177.02 3ikj h THR 522 N 0.26 1.33 -0.79 7.19 2.02 -1.30 -0.22 112.91 121.40 3ikj h THR 522 Ca 0.02 -1.75 -0.02 0.00 0.77 0.00 0.00 66.41 65.43 3ikj h THR 522 Cb 0.85 1.98 -0.04 0.00 -1.74 0.00 0.00 68.15 69.20 3ikj h THR 522 CO 0.07 0.54 0.41 0.24 0.37 0.00 0.00 175.52 177.15 3ikj h MET 523 N 0.30 1.11 -0.44 6.66 2.07 -1.04 -1.07 114.93 122.52 3ikj h MET 523 Ca -0.02 -0.14 -0.11 0.00 -2.07 0.00 0.00 59.70 57.36 3ikj h MET 523 Cb 1.12 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.63 3ikj h MET 523 CO 0.11 0.83 -0.16 1.98 1.07 0.00 0.00 176.91 180.74 3ikj h MET 524 N 1.11 0.88 -0.37 1.72 -1.53 -0.95 -1.32 114.93 114.47 3ikj h MET 524 Ca 0.28 -0.36 -0.05 0.00 -3.44 0.00 0.00 59.70 56.12 3ikj h MET 524 Cb 0.07 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.06 3ikj h MET 524 CO -0.04 1.01 -0.00 0.00 0.14 0.00 0.00 176.91 178.02 3ikj h ARG 525 N 0.71 0.58 -0.12 0.39 3.08 -0.72 -0.59 114.38 117.72 3ikj h ARG 525 Ca 0.10 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3ikj h ARG 525 Cb 0.72 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3ikj h ARG 525 CO 0.05 0.61 0.04 0.28 -1.07 0.00 0.00 179.97 179.88 3ikj h VAL 526 N 0.55 1.18 -0.04 2.04 2.07 -0.88 -0.28 116.25 120.89 3ikj h VAL 526 Ca 0.12 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3ikj h VAL 526 Cb 0.36 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3ikj h VAL 526 CO 0.01 0.16 0.03 -0.07 0.02 0.00 0.00 177.57 177.72 3ikj h LEU 527 N 0.00 0.05 -0.48 2.57 3.38 -0.80 -1.56 115.31 118.47 3ikj h LEU 527 Ca 0.04 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3ikj h LEU 527 Cb 0.22 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ikj h LEU 527 CO -0.00 0.04 -0.53 -0.07 0.09 0.00 0.00 178.44 177.97 3ikj h LEU 528 N 0.05 0.70 -0.57 1.67 3.38 -1.14 -0.98 115.31 118.43 3ikj h LEU 528 Ca 0.02 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.70 3ikj h LEU 528 Cb 0.00 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3ikj h LEU 528 CO -0.00 1.10 0.23 -1.13 0.09 0.00 0.00 178.44 178.72 3ikj h ASN 529 N 0.49 0.25 -0.34 -0.43 -1.24 -1.09 -0.18 115.58 113.04 3ikj h ASN 529 Ca 0.01 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 3ikj h ASN 529 Cb 1.09 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 40.16 3ikj h ASN 529 CO 0.11 0.16 0.18 0.15 -1.29 0.00 0.00 177.43 176.74 3ikj h PHE 530 N 0.42 0.50 -0.01 0.67 3.57 -0.74 -1.16 116.94 120.19 3ikj h PHE 530 Ca 0.28 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 3ikj h PHE 530 Cb 0.30 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 3ikj h PHE 530 CO -0.15 0.37 0.00 -0.92 -2.23 0.00 0.00 178.31 175.38 3ikj h TYR 531 N 0.52 0.02 -0.13 0.41 3.20 -0.83 0.62 116.97 120.78 3ikj h TYR 531 Ca 0.13 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3ikj h TYR 531 Cb 0.05 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3ikj h TYR 531 CO 0.00 0.29 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.29 3ikj h ASP 532 N -0.25 -0.28 -0.90 -2.11 3.32 -0.69 -0.57 116.42 114.94 3ikj h ASP 532 Ca 0.00 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3ikj h ASP 532 Cb 0.28 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 3ikj h ASP 532 CO 0.00 -0.12 0.59 0.11 -1.72 0.00 0.00 179.24 178.11 3ikj h LYS 533 N -0.09 1.16 -0.49 3.56 1.79 -1.26 -0.50 116.57 120.74 3ikj h LYS 533 Ca 0.08 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 3ikj h LYS 533 Cb 0.21 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 3ikj h LYS 533 CO -0.18 0.77 0.30 1.15 -1.08 0.00 0.00 179.45 180.41 3ikj h THR 534 N 1.20 1.07 0.05 -0.16 2.02 -0.37 -1.35 112.91 115.37 3ikj h THR 534 Ca 0.33 -0.21 -0.23 0.00 0.77 0.00 0.00 66.41 67.08 3ikj h THR 534 Cb -0.11 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3ikj h THR 534 CO -0.08 0.11 -1.04 0.24 0.37 0.00 0.00 175.52 175.12 3ikj h MET 535 N 0.60 0.20 -0.37 6.66 2.86 -0.84 -1.62 114.93 122.41 3ikj h MET 535 Ca 0.19 -0.28 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3ikj h MET 535 Cb -0.00 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3ikj h MET 535 CO -0.08 1.07 0.25 1.49 1.06 0.00 0.00 176.91 180.70 3ikj h GLU 536 N 0.08 0.36 0.16 1.72 4.81 -1.08 -2.18 114.58 118.45 3ikj h GLU 536 Ca -0.07 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.84 3ikj h GLU 536 Cb 1.74 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 31.05 3ikj h GLU 536 CO 0.16 0.24 -1.42 0.00 -0.73 0.00 0.00 179.01 177.25 3ikj h ALA 537 N 1.79 0.07 -0.26 2.92 0.00 -0.34 -3.23 119.26 120.20 3ikj h ALA 537 Ca 0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 3ikj h ALA 537 Cb 0.16 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ikj h ALA 537 CO -0.04 0.79 0.16 0.82 0.00 0.00 0.00 179.25 180.98 3ikj h ILE 538 N -0.12 1.10 0.00 0.00 2.04 -1.36 -0.59 117.51 118.58 3ikj h ILE 538 Ca -0.28 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3ikj h ILE 538 Cb 1.91 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3ikj h ILE 538 CO 0.14 0.10 0.00 -0.46 0.00 0.00 0.00 178.15 177.93 3ikj n ASN 539 N -4.86 0.92 0.00 1.72 2.04 -0.82 -0.65 115.26 113.59 3ikj n ASN 539 Ca -0.02 -1.28 0.00 0.00 -0.44 0.00 0.00 54.58 52.84 3ikj n ASN 539 Cb 0.06 -0.32 0.00 0.00 -2.53 0.00 0.00 39.78 36.99 3ikj n ASN 539 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3ikj n ARG 540 N 0.29 1.34 -0.72 -3.83 5.12 -0.28 -5.02 116.66 113.57 3ikj n ARG 540 Ca 0.00 -0.94 0.00 0.00 -1.93 0.00 0.00 57.85 54.98 3ikj n ARG 540 Cb 0.19 -0.75 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 3ikj n ARG 540 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ikj n GLY 541 N -0.23 1.09 3.70 -0.13 0.00 0.17 -4.77 105.19 105.02 3ikj n GLY 541 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ikj n GLY 541 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ikj n VAL 542 N -2.00 0.27 -2.53 1.61 0.31 -0.91 -4.96 118.33 110.12 3ikj n VAL 542 Ca 0.00 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 63.94 3ikj n VAL 542 Cb 0.00 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 30.83 3ikj n VAL 542 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3ikj s PRO 543 N 2.32 3.80 0.50 5.55 0.04 -1.26 -4.18 135.00 141.77 3ikj s PRO 543 Ca 0.80 1.34 0.15 0.00 0.04 0.00 0.00 61.00 63.33 3ikj s PRO 543 Cb -0.50 -2.10 1.21 0.00 0.04 0.00 0.00 34.50 33.16 3ikj s PRO 543 CO 0.36 -0.43 2.13 1.25 0.04 0.00 0.00 177.00 180.36 3ikj h LEU 544 N 1.51 0.06 -1.35 -3.56 5.85 -1.94 -2.78 115.31 113.10 3ikj h LEU 544 Ca -0.49 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 3ikj h LEU 544 Cb 1.22 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3ikj h LEU 544 CO 0.59 0.05 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.11 3ikj h GLU 545 N 0.07 0.00 0.16 1.25 3.07 -1.98 -0.20 114.58 116.94 3ikj h GLU 545 Ca 0.02 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.58 3ikj h GLU 545 Cb 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 27.94 3ikj h GLU 545 CO -0.00 0.30 -1.30 1.49 -1.40 0.00 0.00 179.01 178.09 3ikj h GLU 546 N 0.00 0.52 -0.39 2.33 4.57 -1.89 -3.16 114.58 116.55 3ikj h GLU 546 Ca -0.00 -0.77 -0.14 0.00 -1.18 0.00 0.00 59.36 57.27 3ikj h GLU 546 Cb 0.63 0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 3ikj h GLU 546 CO 0.04 1.35 -0.29 0.82 -1.18 0.00 0.00 179.01 179.75 3ikj h ILE 547 N 0.19 1.27 0.00 2.32 2.04 -1.41 -2.64 117.51 119.28 3ikj h ILE 547 Ca -0.19 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.22 3ikj h ILE 547 Cb 1.99 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3ikj h ILE 547 CO 0.24 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.87 3ikj n ALA 548 N -2.52 1.59 -0.05 1.87 0.00 -0.11 -2.26 120.51 119.02 3ikj n ALA 548 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ikj n ALA 548 Cb 0.48 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3ikj n ALA 548 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3ikj n LYS 549 N -1.91 2.85 -1.59 0.00 2.85 -1.11 -4.98 118.16 114.27 3ikj n LYS 549 Ca 0.02 -1.46 -0.56 0.00 -1.05 0.00 0.00 58.31 55.26 3ikj n LYS 549 Cb 0.18 -0.98 -0.07 0.00 -0.65 0.00 0.00 35.03 33.51 3ikj n LYS 549 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3ikj n LEU 550 N -0.48 1.13 -0.22 -5.58 4.77 -0.96 -4.84 117.00 110.83 3ikj n LEU 550 Ca 0.00 1.13 0.01 0.00 -0.03 0.00 0.00 56.01 57.12 3ikj n LEU 550 Cb 0.26 -1.07 0.24 0.00 -2.33 0.00 0.00 43.42 40.53 3ikj n LEU 550 CO 0.00 -1.25 1.24 -0.65 -1.33 0.00 0.00 177.39 175.40 3ikj h PRO 551 N 4.37 0.99 -0.33 3.23 0.11 -1.92 -2.86 132.00 135.59 3ikj h PRO 551 Ca -0.48 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.63 3ikj h PRO 551 Cb 1.37 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3ikj h PRO 551 CO 0.77 0.66 0.23 -0.24 -0.21 0.00 0.00 178.00 179.21 3ikj h VAL 552 N 1.02 0.92 -0.86 3.15 3.04 -1.95 -1.01 116.25 120.56 3ikj h VAL 552 Ca 0.28 -0.05 0.22 0.00 -1.01 0.00 0.00 66.70 66.13 3ikj h VAL 552 Cb -0.12 0.74 -0.14 0.00 -2.01 0.00 0.00 31.29 29.76 3ikj h VAL 552 CO -0.06 0.03 0.14 0.03 -1.01 0.00 0.00 177.57 176.70 3ikj h ARG 553 N 0.16 0.14 0.00 4.17 3.08 -1.86 -0.44 114.38 119.63 3ikj h ARG 553 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3ikj h ARG 553 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3ikj h ARG 553 CO -0.02 0.10 0.00 1.05 -1.07 0.00 0.00 179.97 180.02 3ikj h GLU 554 N 0.15 0.00 -0.01 0.04 -0.00 -1.34 -1.81 114.58 111.61 3ikj h GLU 554 Ca 0.52 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.67 3ikj h GLU 554 Cb 1.02 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.77 3ikj h GLU 554 CO -0.70 0.00 -0.89 0.93 -0.00 0.00 0.00 179.01 178.36 3ikj h GLU 555 N 0.00 0.32 -0.78 1.06 5.08 -1.18 -3.03 114.58 116.06 3ikj h GLU 555 Ca 0.00 -0.34 0.06 0.00 -1.00 0.00 0.00 59.36 58.09 3ikj h GLU 555 Cb 0.83 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 3ikj h GLU 555 CO 0.00 1.02 0.46 0.82 -1.00 0.00 0.00 179.01 180.32 3ikj h ILE 556 N 0.19 1.00 0.00 3.13 2.04 -0.83 -0.89 117.51 122.15 3ikj h ILE 556 Ca -0.06 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3ikj h ILE 556 Cb 1.51 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3ikj h ILE 556 CO 0.15 0.15 0.00 1.23 0.00 0.00 0.00 178.15 179.68 3ikj h GLY 557 N 0.84 0.00 -0.46 5.37 0.00 -1.23 -2.93 103.07 104.66 3ikj h GLY 557 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3ikj h GLY 557 CO -0.18 0.00 -0.55 0.54 0.00 0.00 0.00 176.54 176.34 3ikj n ARG 558 N -2.74 1.51 0.22 4.80 1.74 -0.44 -4.61 116.66 117.14 3ikj n ARG 558 Ca -0.00 -0.49 0.16 0.00 -0.77 0.00 0.00 57.85 56.75 3ikj n ARG 558 Cb 0.17 -1.31 0.83 0.00 -1.02 0.00 0.00 32.46 31.13 3ikj n ARG 558 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ikj h MET 559 N 1.13 0.00 0.00 5.56 -0.00 -1.10 0.15 114.93 120.67 3ikj h MET 559 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3ikj h MET 559 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 3ikj h MET 559 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.91 177.27 3ikj n LYS 560 N -3.88 0.18 0.00 -0.10 2.85 -1.26 -1.66 118.16 114.28 3ikj n LYS 560 Ca 0.01 0.54 0.11 0.00 -1.05 0.00 0.00 58.31 57.92 3ikj n LYS 560 Cb 0.27 -1.94 0.11 0.00 -0.65 0.00 0.00 35.03 32.83 3ikj n LYS 560 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3ikj n PHE 561 N -2.28 0.00 -3.04 5.58 3.72 0.54 -4.11 117.46 117.86 3ikj n PHE 561 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3ikj n PHE 561 Cb 0.13 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 3ikj n PHE 561 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3ikj s GLU 562 N -2.69 4.17 0.26 -1.08 2.56 -0.66 -4.85 118.70 116.41 3ikj s GLU 562 Ca 0.16 0.70 0.16 0.00 0.00 0.00 0.00 54.97 56.00 3ikj s GLU 562 Cb 0.18 -3.62 0.06 0.00 2.00 0.00 0.00 34.13 32.75 3ikj s GLU 562 CO 0.65 -0.38 1.38 0.07 -0.56 0.00 0.00 175.26 176.41 3ikj h ARG 563 N 7.68 0.00 -6.07 4.30 0.11 -1.89 -3.44 114.38 115.07 3ikj h ARG 563 Ca -0.27 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.20 3ikj h ARG 563 Cb 1.12 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.09 3ikj h ARG 563 CO 0.80 0.43 0.54 0.34 0.10 0.00 0.00 179.97 182.18 3ikj s ASP 564 N -6.34 6.49 0.40 0.08 -1.08 -1.26 -4.89 116.67 110.07 3ikj s ASP 564 Ca 0.03 0.11 0.19 0.00 -0.52 0.00 0.00 52.55 52.36 3ikj s ASP 564 Cb 0.08 -2.44 0.83 0.00 -1.46 0.00 0.00 42.92 39.93 3ikj s ASP 564 CO 0.75 -1.01 1.82 0.58 0.52 0.00 0.00 175.17 177.83 3ikj h VAL 565 N 6.04 0.94 0.00 1.11 2.07 -1.99 -1.58 116.25 122.84 3ikj h VAL 565 Ca -0.24 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 3ikj h VAL 565 Cb 1.08 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3ikj h VAL 565 CO 1.01 0.33 -0.51 0.77 0.02 0.00 0.00 177.57 179.18 3ikj h SER 566 N 0.00 0.00 0.12 0.57 4.64 -1.98 -0.86 113.55 116.04 3ikj h SER 566 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 3ikj h SER 566 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3ikj h SER 566 CO 0.04 0.51 -0.40 0.11 -0.87 0.00 0.00 176.83 176.22 3ikj h LYS 567 N 0.00 0.36 -0.19 4.77 1.57 -1.70 -2.60 116.57 118.78 3ikj h LYS 567 Ca -0.01 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3ikj h LYS 567 Cb 0.91 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3ikj h LYS 567 CO 0.07 0.71 0.05 0.82 -0.57 0.00 0.00 179.45 180.52 3ikj h ILE 568 N 0.30 1.20 -0.61 1.86 2.04 -1.16 -2.89 117.51 118.25 3ikj h ILE 568 Ca 0.03 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.34 3ikj h ILE 568 Cb 0.84 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3ikj h ILE 568 CO 0.07 0.20 0.41 -0.09 0.00 0.00 0.00 178.15 178.73 3ikj h ARG 569 N 0.12 0.43 0.00 2.37 2.43 -1.13 -0.96 114.38 117.65 3ikj h ARG 569 Ca 0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3ikj h ARG 569 Cb 0.26 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3ikj h ARG 569 CO 0.00 0.29 -0.03 0.66 -1.51 0.00 0.00 179.97 179.38 3ikj h SER 570 N 0.45 0.00 0.08 -3.80 4.64 -1.24 -1.74 113.55 111.93 3ikj h SER 570 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 3ikj h SER 570 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3ikj h SER 570 CO -0.08 0.03 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.80 3ikj h LEU 571 N 0.00 0.00 0.09 5.97 3.38 -1.22 -1.36 115.31 122.17 3ikj h LEU 571 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ikj h LEU 571 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ikj h LEU 571 CO 0.00 0.03 -0.05 0.40 0.09 0.00 0.00 178.44 178.92 3ikj h ILE 572 N 0.00 0.92 -0.21 1.22 2.04 -1.49 0.13 117.51 120.13 3ikj h ILE 572 Ca -0.00 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 3ikj h ILE 572 Cb 0.08 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3ikj h ILE 572 CO 0.00 0.01 -0.36 0.44 0.00 0.00 0.00 178.15 178.25 3ikj h ASP 573 N -0.15 0.47 -0.31 1.72 3.32 -1.55 -1.88 116.42 118.04 3ikj h ASP 573 Ca -0.01 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 3ikj h ASP 573 Cb 0.12 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3ikj h ASP 573 CO 0.02 0.80 0.02 0.50 -1.72 0.00 0.00 179.24 178.86 3ikj h LYS 574 N 0.38 0.54 -0.39 3.56 3.64 -1.04 -1.94 116.57 121.31 3ikj h LYS 574 Ca 0.04 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3ikj h LYS 574 Cb 0.81 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 3ikj h LYS 574 CO 0.07 0.66 0.11 1.15 -2.27 0.00 0.00 179.45 179.16 3ikj h THR 575 N 0.35 0.84 -0.86 1.00 2.02 -0.36 -1.45 112.91 114.45 3ikj h THR 575 Ca 0.09 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ikj h THR 575 Cb 0.40 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 3ikj h THR 575 CO 0.01 0.05 0.53 0.78 0.37 0.00 0.00 175.52 177.26 3ikj h ASN 576 N 0.25 1.01 -0.06 4.18 2.35 -1.01 -1.97 115.58 120.33 3ikj h ASN 576 Ca 0.19 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3ikj h ASN 576 Cb 0.19 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3ikj h ASN 576 CO -0.22 0.76 -0.22 -0.33 -1.65 0.00 0.00 177.43 175.78 3ikj h GLU 577 N 1.18 0.26 -0.48 0.81 5.08 -0.88 -0.76 114.58 119.78 3ikj h GLU 577 Ca 0.31 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3ikj h GLU 577 Cb -0.08 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3ikj h GLU 577 CO -0.06 0.83 0.32 1.96 -1.00 0.00 0.00 179.01 181.06 3ikj h GLN 578 N -0.26 0.55 -0.37 2.33 4.20 -1.12 -1.91 115.11 118.53 3ikj h GLN 578 Ca -0.01 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 3ikj h GLN 578 Cb 0.86 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3ikj h GLN 578 CO 0.05 0.37 -0.03 0.74 -0.67 0.00 0.00 178.83 179.29 3ikj h PHE 579 N 0.57 0.74 -0.74 2.96 -1.00 -1.16 -2.39 116.94 115.92 3ikj h PHE 579 Ca 0.19 -0.14 0.15 0.00 2.81 0.00 0.00 57.97 60.99 3ikj h PHE 579 Cb 0.06 -0.19 -0.10 0.00 3.61 0.00 0.00 35.95 39.33 3ikj h PHE 579 CO -0.00 0.78 0.22 0.93 -1.61 0.00 0.00 178.31 178.63 3ikj h GLU 580 N 0.48 0.31 -0.23 1.51 4.39 -0.49 0.29 114.58 120.83 3ikj h GLU 580 Ca 0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3ikj h GLU 580 Cb 0.51 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3ikj h GLU 580 CO 0.02 0.21 0.00 -0.85 -1.16 0.00 0.00 179.01 177.23 3ikj n GLU 581 N -5.11 1.37 -0.04 2.33 0.28 -0.78 -0.99 120.64 117.70 3ikj n GLU 581 Ca 0.14 -0.52 -0.02 0.00 -0.16 0.00 0.00 57.16 56.60 3ikj n GLU 581 Cb 0.44 -1.17 -0.09 0.00 1.43 0.00 0.00 31.44 32.05 3ikj n GLU 581 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3ikj n LEU 582 N -0.06 0.00 -0.19 -1.84 7.94 0.53 -3.98 117.00 119.39 3ikj n LEU 582 Ca 0.05 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.86 3ikj n LEU 582 Cb 0.15 0.19 0.02 0.00 0.53 0.00 0.00 43.42 44.31 3ikj n LEU 582 CO 0.04 0.19 0.84 -0.26 -1.11 0.00 0.00 177.39 177.09 3ikj h PHE 583 N 0.00 1.01 -0.54 1.96 0.05 0.33 -3.08 116.94 116.67 3ikj h PHE 583 Ca -0.21 -0.16 -0.03 0.00 3.82 0.00 0.00 57.97 61.39 3ikj h PHE 583 Cb 1.33 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.99 3ikj h PHE 583 CO 0.00 0.91 0.22 0.87 -0.18 0.00 0.00 178.31 180.12 3ikj h LYS 584 N 0.82 0.80 -6.81 1.51 1.57 -1.22 -3.29 116.57 109.96 3ikj h LYS 584 Ca 0.16 -0.14 -0.51 0.00 -1.87 0.00 0.00 60.65 58.29 3ikj h LYS 584 Cb 0.47 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.67 3ikj h LYS 584 CO 0.02 0.70 0.50 0.21 -0.57 0.00 0.00 179.45 180.31 3ikj s LYS 585 N -5.56 4.60 2.45 3.15 2.20 -1.16 -4.65 119.74 120.76 3ikj s LYS 585 Ca -0.13 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 3ikj s LYS 585 Cb 0.12 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 3ikj s LYS 585 CO 0.78 0.16 0.00 0.66 -0.36 0.00 0.00 175.35 176.59 3ikj n TYR 586 N 1.16 -0.13 -4.40 4.03 4.02 -1.26 -4.70 117.16 115.87 3ikj n TYR 586 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.64 3ikj n TYR 586 Cb 0.44 0.03 -0.11 0.00 -0.02 0.00 0.00 39.34 39.68 3ikj n TYR 586 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3ikj s GLY 587 N -0.64 1.64 0.00 2.72 0.00 -1.24 -4.98 107.32 104.82 3ikj s GLY 587 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.07 3ikj s GLY 587 CO 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 173.10 171.39