#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6i s ARG 12 N 0.00 4.40 -0.17 1.61 0.52 -1.26 -4.35 118.95 119.70 3i6i s ARG 12 Ca 0.00 1.57 -0.06 0.00 -0.52 0.00 0.00 55.73 56.72 3i6i s ARG 12 Cb 0.00 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 3i6i s ARG 12 CO 0.00 -0.35 0.02 0.08 0.02 0.00 0.00 175.30 175.07 3i6i s VAL 13 N 1.92 4.41 -0.20 3.52 1.01 -0.18 -1.02 120.40 129.85 3i6i s VAL 13 Ca 0.53 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 3i6i s VAL 13 Cb -0.23 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 3i6i s VAL 13 CO 0.22 0.47 -0.01 -0.22 0.00 0.00 0.00 175.10 175.57 3i6i s LEU 14 N 0.38 3.20 -0.17 3.92 2.96 -0.10 -0.07 118.68 128.80 3i6i s LEU 14 Ca 0.00 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3i6i s LEU 14 Cb -0.13 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3i6i s LEU 14 CO 0.01 0.05 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.38 3i6i s ILE 15 N 1.08 3.28 -0.17 6.68 1.01 -0.49 -0.30 121.20 132.29 3i6i s ILE 15 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 3i6i s ILE 15 Cb -0.14 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3i6i s ILE 15 CO 0.01 0.48 0.05 0.00 0.00 0.00 0.00 174.94 175.49 3i6i s ALA 16 N 0.83 3.40 0.00 9.38 0.00 -0.25 -1.78 121.76 133.34 3i6i s ALA 16 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3i6i s ALA 16 Cb -0.15 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.11 3i6i s ALA 16 CO 0.01 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.42 3i6i n GLY 17 N 3.34 0.88 0.26 0.00 0.00 -1.26 -0.43 105.19 107.99 3i6i n GLY 17 Ca -0.17 -0.48 0.18 0.00 0.00 0.00 0.00 46.02 45.55 3i6i n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6i h ALA 18 N 0.00 1.00 -0.01 4.61 0.00 -1.82 -1.93 119.26 121.11 3i6i h ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i6i h ALA 18 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i6i h ALA 18 CO 0.00 0.00 -0.06 0.25 0.00 0.00 0.00 179.25 179.44 3i6i n THR 19 N -2.81 0.00 -1.81 0.00 -2.24 -1.26 -2.40 114.28 103.76 3i6i n THR 19 Ca -0.01 -0.22 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 3i6i n THR 19 Cb 0.13 0.48 0.10 0.00 -2.10 0.00 0.00 70.33 68.94 3i6i n THR 19 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i6i s GLY 20 N -2.12 1.59 0.07 3.38 0.00 -0.73 -4.82 107.32 104.70 3i6i s GLY 20 Ca 0.35 -0.59 -0.36 0.00 0.00 0.00 0.00 44.72 44.11 3i6i s GLY 20 CO 0.38 -0.10 1.58 -2.75 0.00 0.00 0.00 173.10 172.21 3i6i h PHE 21 N -1.13 -1.19 -0.39 1.90 3.57 -1.91 -1.03 116.94 116.76 3i6i h PHE 21 Ca -0.47 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 60.91 3i6i h PHE 21 Cb 1.32 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 3i6i h PHE 21 CO 0.32 -0.70 -0.16 0.82 -2.23 0.00 0.00 178.31 176.37 3i6i h ILE 22 N -1.17 1.28 -0.81 1.41 1.08 -1.90 -3.21 117.51 114.19 3i6i h ILE 22 Ca -0.11 -1.28 0.13 0.00 -0.39 0.00 0.00 64.86 63.20 3i6i h ILE 22 Cb 0.92 1.29 -0.06 0.00 -3.07 0.00 0.00 36.82 35.90 3i6i h ILE 22 CO 0.14 0.43 0.53 1.23 -0.69 0.00 0.00 178.15 179.79 3i6i h GLY 23 N 0.60 1.00 0.99 5.37 0.00 -1.67 -1.80 103.07 107.56 3i6i h GLY 23 Ca 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3i6i h GLY 23 CO 0.05 0.11 0.25 1.46 0.00 0.00 0.00 176.54 178.41 3i6i h GLN 24 N 0.63 0.85 -0.41 4.80 4.20 -0.82 -0.07 115.11 124.28 3i6i h GLN 24 Ca 0.39 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 3i6i h GLN 24 Cb 0.64 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3i6i h GLN 24 CO -0.16 0.72 0.01 0.74 -0.67 0.00 0.00 178.83 179.47 3i6i h PHE 25 N 0.79 0.78 -0.31 2.96 0.04 -1.48 -1.88 116.94 117.84 3i6i h PHE 25 Ca 0.19 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 3i6i h PHE 25 Cb 0.17 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3i6i h PHE 25 CO 0.01 0.78 0.05 0.28 -0.60 0.00 0.00 178.31 178.82 3i6i h VAL 26 N 0.55 1.24 -0.51 -0.55 2.07 -1.03 -1.79 116.25 116.23 3i6i h VAL 26 Ca 0.12 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3i6i h VAL 26 Cb 0.46 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3i6i h VAL 26 CO 0.02 0.27 0.21 0.00 0.02 0.00 0.00 177.57 178.09 3i6i h ALA 27 N 0.88 0.67 -0.58 1.67 0.00 -1.03 -0.78 119.26 120.09 3i6i h ALA 27 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i6i h ALA 27 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i6i h ALA 27 CO 0.01 0.27 0.27 1.15 0.00 0.00 0.00 179.25 180.95 3i6i h THR 28 N 0.69 1.21 -0.47 0.00 2.02 -1.28 -1.61 112.91 113.46 3i6i h THR 28 Ca 0.17 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3i6i h THR 28 Cb 0.19 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3i6i h THR 28 CO -0.02 0.25 0.24 0.00 0.37 0.00 0.00 175.52 176.36 3i6i h ALA 29 N 1.11 0.61 -0.41 6.16 0.00 -1.12 -0.06 119.26 125.54 3i6i h ALA 29 Ca 0.20 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3i6i h ALA 29 Cb 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3i6i h ALA 29 CO -0.02 0.16 0.12 1.03 0.00 0.00 0.00 179.25 180.54 3i6i h SER 30 N 0.62 0.11 -0.51 0.00 0.87 -0.84 -0.28 113.55 113.52 3i6i h SER 30 Ca 0.16 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 3i6i h SER 30 Cb 0.10 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3i6i h SER 30 CO -0.02 0.09 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.21 3i6i h LEU 31 N 0.28 0.96 -1.97 2.23 3.38 -1.04 -2.51 115.31 116.64 3i6i h LEU 31 Ca 0.19 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3i6i h LEU 31 Cb 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i6i h LEU 31 CO -0.22 1.08 -0.10 0.44 0.09 0.00 0.00 178.44 179.74 3i6i h ASP 32 N 0.82 0.00 -0.04 -0.43 3.32 -0.76 -1.40 116.42 117.93 3i6i h ASP 32 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3i6i h ASP 32 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3i6i h ASP 32 CO 0.04 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.67 3i6i n ALA 33 N -2.27 2.60 -2.31 3.45 0.00 -0.14 -4.91 120.51 116.93 3i6i n ALA 33 Ca -0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 3i6i n ALA 33 Cb 0.22 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 3i6i n ALA 33 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i6i n HIS 34 N -0.47 -0.86 -3.04 0.00 -0.00 -0.53 -5.00 115.22 105.31 3i6i n HIS 34 Ca 0.17 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.96 3i6i n HIS 34 Cb 0.17 -3.75 -0.05 0.00 -0.12 0.00 0.00 29.99 26.23 3i6i n HIS 34 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3i6i s ARG 35 N -4.88 4.46 0.05 1.57 0.52 -0.97 -5.01 118.95 114.68 3i6i s ARG 35 Ca 0.00 1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 55.91 3i6i s ARG 35 Cb 0.00 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 32.06 3i6i s ARG 35 CO 0.00 0.39 1.71 -2.14 0.02 0.00 0.00 175.30 175.29 3i6i s PRO 36 N -0.41 4.18 -0.09 3.54 0.02 -1.26 -4.55 135.00 136.43 3i6i s PRO 36 Ca 0.36 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.76 3i6i s PRO 36 Cb -0.21 -3.75 0.02 0.00 0.02 0.00 0.00 34.50 30.58 3i6i s PRO 36 CO 0.22 -0.80 -0.10 0.99 -0.33 0.00 0.00 177.00 176.98 3i6i s THR 37 N 3.16 1.13 -0.08 0.99 2.01 -1.26 -1.01 115.64 120.58 3i6i s THR 37 Ca 0.76 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.39 3i6i s THR 37 Cb -0.40 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 3i6i s THR 37 CO 0.33 0.37 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.17 3i6i s TYR 38 N 1.20 2.70 -0.17 4.92 2.02 0.90 -1.51 117.35 127.42 3i6i s TYR 38 Ca -0.04 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 3i6i s TYR 38 Cb -0.14 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 3i6i s TYR 38 CO -0.03 0.01 -0.19 0.42 -1.57 0.00 0.00 175.55 174.19 3i6i s ILE 39 N -0.31 2.18 -0.01 2.71 -1.09 -0.01 -1.39 121.20 123.27 3i6i s ILE 39 Ca 0.02 -0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 57.23 3i6i s ILE 39 Cb -0.13 -1.91 -0.03 0.00 -1.58 0.00 0.00 42.46 38.82 3i6i s ILE 39 CO 0.03 0.53 1.04 -0.22 -1.23 0.00 0.00 174.94 175.09 3i6i s LEU 40 N 1.14 4.34 -0.05 2.97 2.96 -0.73 -1.32 118.68 128.00 3i6i s LEU 40 Ca 0.01 1.71 0.05 0.00 -0.22 0.00 0.00 54.13 55.69 3i6i s LEU 40 Cb -0.14 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3i6i s LEU 40 CO -0.09 -0.35 -0.21 0.00 -1.32 0.00 0.00 176.35 174.38 3i6i s ALA 41 N 1.27 1.85 0.14 5.97 0.00 0.77 -4.55 121.76 127.21 3i6i s ALA 41 Ca 0.53 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 3i6i s ALA 41 Cb -0.22 -0.58 -0.09 0.00 0.00 0.00 0.00 23.12 22.23 3i6i s ALA 41 CO 0.26 0.36 1.53 0.50 0.00 0.00 0.00 175.76 178.42 3i6i s ARG 42 N -0.12 4.24 0.51 0.00 3.52 -1.25 -1.36 118.95 124.48 3i6i s ARG 42 Ca -0.02 2.28 -0.23 0.00 -0.13 0.00 0.00 55.73 57.63 3i6i s ARG 42 Cb -0.12 -3.25 -0.06 0.00 -1.56 0.00 0.00 34.95 29.96 3i6i s ARG 42 CO 0.03 -0.58 1.39 -2.30 -0.81 0.00 0.00 175.30 173.02 3i6i n PRO 43 N 4.23 1.91 0.00 5.12 -0.02 -1.26 -4.91 135.00 140.06 3i6i n PRO 43 Ca 0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3i6i n PRO 43 Cb 0.40 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3i6i n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6i n GLY 44 N 0.69 0.60 3.73 -1.23 0.00 -1.26 -5.08 105.19 102.64 3i6i n GLY 44 Ca 0.08 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 3i6i n GLY 44 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i6i s PRO 45 N -0.76 2.55 -0.16 1.61 0.05 -1.26 -5.02 135.00 132.02 3i6i s PRO 45 Ca 0.00 1.99 -0.01 0.00 0.05 0.00 0.00 61.00 63.03 3i6i s PRO 45 Cb 0.00 -1.85 -0.01 0.00 0.05 0.00 0.00 34.50 32.68 3i6i s PRO 45 CO 0.00 -1.58 -0.10 1.03 0.05 0.00 0.00 177.00 176.40 3i6i s ARG 46 N -3.44 3.38 0.70 4.56 0.52 -1.26 -5.10 118.95 118.31 3i6i s ARG 46 Ca 0.81 -0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 55.19 3i6i s ARG 46 Cb -0.35 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 3i6i s ARG 46 CO 0.39 0.07 0.84 0.45 0.02 0.00 0.00 175.30 177.07 3i6i n SER 47 N 3.97 0.02 -0.29 0.23 2.88 -1.26 -4.68 113.62 114.49 3i6i n SER 47 Ca -0.18 0.67 0.08 0.00 -1.33 0.00 0.00 58.87 58.11 3i6i n SER 47 Cb 0.52 -1.35 0.24 0.00 -0.75 0.00 0.00 64.21 62.87 3i6i n SER 47 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i6i h PRO 48 N -0.17 0.49 -0.14 -1.46 0.11 -1.99 0.24 132.00 129.08 3i6i h PRO 48 Ca -0.47 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 3i6i h PRO 48 Cb 1.34 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3i6i h PRO 48 CO 0.46 0.32 -0.52 0.66 -0.21 0.00 0.00 178.00 178.72 3i6i h SER 49 N 0.50 0.71 -0.40 -2.05 4.64 -1.99 -1.03 113.55 113.94 3i6i h SER 49 Ca 0.48 -0.61 0.02 0.00 -0.47 0.00 0.00 61.79 61.21 3i6i h SER 49 Cb 0.77 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 3i6i h SER 49 CO -0.43 1.20 0.23 0.11 -0.87 0.00 0.00 176.83 177.07 3i6i h LYS 50 N 0.26 0.45 -0.68 4.77 6.56 -1.86 -0.28 116.57 125.79 3i6i h LYS 50 Ca -0.02 -0.03 0.12 0.00 -1.06 0.00 0.00 60.65 59.66 3i6i h LYS 50 Cb 1.15 -0.10 -0.09 0.00 -0.57 0.00 0.00 32.23 32.62 3i6i h LYS 50 CO 0.11 0.30 0.23 0.00 -2.06 0.00 0.00 179.45 178.03 3i6i h ALA 51 N 1.18 0.89 0.23 3.86 0.00 -0.47 0.53 119.26 125.48 3i6i h ALA 51 Ca 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3i6i h ALA 51 Cb 0.02 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i6i h ALA 51 CO -0.08 -0.23 -0.11 1.57 0.00 0.00 0.00 179.25 180.39 3i6i h LYS 52 N 0.38 -0.30 0.12 0.00 -0.00 -0.40 -2.35 116.57 114.03 3i6i h LYS 52 Ca 0.36 0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 61.03 3i6i h LYS 52 Cb 0.53 0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.82 3i6i h LYS 52 CO -0.38 -0.16 -0.06 0.82 -0.00 0.00 0.00 179.45 179.67 3i6i h ILE 53 N -0.37 0.91 -0.64 0.07 2.04 -0.72 -2.29 117.51 116.51 3i6i h ILE 53 Ca -0.03 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3i6i h ILE 53 Cb 0.28 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3i6i h ILE 53 CO 0.05 0.02 0.43 -0.26 0.00 0.00 0.00 178.15 178.39 3i6i h PHE 54 N -0.20 0.77 0.19 1.37 0.04 -0.92 -1.81 116.94 116.37 3i6i h PHE 54 Ca -0.02 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3i6i h PHE 54 Cb 0.16 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3i6i h PHE 54 CO -0.06 0.46 -0.09 0.87 -0.60 0.00 0.00 178.31 178.90 3i6i h LYS 55 N 0.81 -0.24 -0.69 1.51 1.79 -1.26 -1.20 116.57 117.29 3i6i h LYS 55 Ca 0.25 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.86 3i6i h LYS 55 Cb -0.00 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.62 3i6i h LYS 55 CO -0.06 0.01 0.25 0.00 -1.08 0.00 0.00 179.45 178.57 3i6i h ALA 56 N 0.28 0.92 -0.24 3.86 0.00 -1.08 -0.21 119.26 122.79 3i6i h ALA 56 Ca -0.03 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3i6i h ALA 56 Cb 0.37 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i6i h ALA 56 CO 0.04 -0.21 -0.17 -0.07 0.00 0.00 0.00 179.25 178.84 3i6i h LEU 57 N 0.41 0.57 -0.99 0.00 3.38 -1.29 -2.29 115.31 115.09 3i6i h LEU 57 Ca 0.37 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3i6i h LEU 57 Cb 0.52 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3i6i h LEU 57 CO -0.37 0.89 0.59 -0.33 0.09 0.00 0.00 178.44 179.30 3i6i h GLU 58 N 0.26 1.27 0.00 1.13 5.08 -0.91 -0.85 114.58 120.56 3i6i h GLU 58 Ca 0.05 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3i6i h GLU 58 Cb 0.70 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3i6i h GLU 58 CO 0.05 0.88 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.36 3i6i h ASP 59 N 1.30 0.00 0.35 1.42 3.32 -0.91 -0.32 116.42 121.57 3i6i h ASP 59 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3i6i h ASP 59 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3i6i h ASP 59 CO -0.07 0.13 -0.13 0.29 -1.72 0.00 0.00 179.24 177.74 3i6i n LYS 60 N -4.03 0.71 0.00 3.56 5.02 -0.67 -4.93 118.16 117.81 3i6i n LYS 60 Ca -0.02 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 3i6i n LYS 60 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3i6i n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i6i n GLY 61 N 1.29 1.22 3.76 0.72 0.00 -0.13 -4.94 105.19 107.11 3i6i n GLY 61 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3i6i n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6i s ALA 62 N -2.00 3.07 -0.27 4.61 0.00 -0.41 -4.74 121.76 122.03 3i6i s ALA 62 Ca 0.00 1.17 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 3i6i s ALA 62 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3i6i s ALA 62 CO 0.00 -0.91 0.08 0.42 0.00 0.00 0.00 175.76 175.35 3i6i s ILE 63 N -1.35 4.22 -0.00 0.00 1.01 -0.57 -4.51 121.20 120.00 3i6i s ILE 63 Ca 0.62 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.67 3i6i s ILE 63 Cb -0.36 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3i6i s ILE 63 CO 0.45 0.25 0.84 -0.63 0.00 0.00 0.00 174.94 175.85 3i6i s ILE 64 N 1.58 4.87 -0.02 2.92 1.01 -1.26 -0.83 121.20 129.47 3i6i s ILE 64 Ca 0.05 1.76 0.06 0.00 0.00 0.00 0.00 60.65 62.52 3i6i s ILE 64 Cb -0.16 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3i6i s ILE 64 CO 0.03 0.25 -0.20 0.68 0.00 0.00 0.00 174.94 175.70 3i6i s VAL 65 N 0.63 1.57 -0.22 2.92 -7.23 -0.44 -4.92 120.40 112.71 3i6i s VAL 65 Ca 0.44 -0.84 -0.10 0.00 -1.81 0.00 0.00 61.98 59.67 3i6i s VAL 65 Cb -0.20 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 3i6i s VAL 65 CO 0.24 0.44 0.14 -0.31 -0.31 0.00 0.00 175.10 175.31 3i6i s TYR 66 N -0.41 3.34 -2.22 2.82 2.02 -1.26 -0.16 117.35 121.48 3i6i s TYR 66 Ca 0.06 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 3i6i s TYR 66 Cb -0.08 -2.23 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 3i6i s TYR 66 CO -0.00 0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 3i6i n GLY 67 N 4.02 -1.74 2.93 0.71 0.00 -0.47 -4.90 105.19 105.75 3i6i n GLY 67 Ca -0.15 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 3i6i n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6i s LEU 68 N 0.00 1.78 0.38 0.99 1.43 -1.26 -3.97 118.68 118.03 3i6i s LEU 68 Ca 0.00 -0.10 0.28 0.00 -1.03 0.00 0.00 54.13 53.28 3i6i s LEU 68 Cb 0.00 -0.31 1.13 0.00 0.03 0.00 0.00 46.19 47.04 3i6i s LEU 68 CO 0.00 0.03 1.83 0.16 0.23 0.00 0.00 176.35 178.59 3i6i h ILE 69 N 5.37 0.00 -0.00 -0.59 3.07 -2.00 -2.48 117.51 120.88 3i6i h ILE 69 Ca -0.32 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 65.73 3i6i h ILE 69 Cb 1.18 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 3i6i h ILE 69 CO 0.49 0.00 -0.00 -0.46 -1.05 0.00 0.00 178.15 177.13 3i6i n ASN 70 N -2.61 0.00 -4.23 2.16 6.94 -1.23 -2.58 115.26 113.72 3i6i n ASN 70 Ca 0.02 -0.98 -0.42 0.00 -0.02 0.00 0.00 54.58 53.17 3i6i n ASN 70 Cb 0.27 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.62 3i6i n ASN 70 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3i6i s GLU 71 N -2.01 2.94 0.08 -3.83 2.02 -0.94 -4.79 118.70 112.16 3i6i s GLU 71 Ca 0.47 -2.19 -0.28 0.00 0.02 0.00 0.00 54.97 52.99 3i6i s GLU 71 Cb 0.22 -4.09 -0.16 0.00 0.10 0.00 0.00 34.13 30.20 3i6i s GLU 71 CO 0.37 -1.24 1.67 0.37 0.02 0.00 0.00 175.26 176.46 3i6i h GLN 72 N 7.92 -0.49 -0.61 1.61 4.15 -1.81 -1.19 115.11 124.67 3i6i h GLN 72 Ca -0.06 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.49 3i6i h GLN 72 Cb 1.03 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.76 3i6i h GLN 72 CO 0.81 -0.33 0.23 1.49 -1.93 0.00 0.00 178.83 179.10 3i6i h GLU 73 N -0.51 0.39 -0.68 1.69 4.81 -1.93 0.46 114.58 118.81 3i6i h GLU 73 Ca -0.04 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3i6i h GLU 73 Cb 0.40 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 3i6i h GLU 73 CO 0.06 0.26 0.41 0.00 -0.73 0.00 0.00 179.01 179.02 3i6i h ALA 74 N 1.42 0.89 -0.31 2.92 0.00 -1.86 -2.08 119.26 120.24 3i6i h ALA 74 Ca 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3i6i h ALA 74 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i6i h ALA 74 CO -0.31 0.16 -0.31 0.52 0.00 0.00 0.00 179.25 179.31 3i6i h MET 75 N 0.80 0.65 -0.70 0.00 2.86 -0.33 -2.17 114.93 116.04 3i6i h MET 75 Ca 0.28 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3i6i h MET 75 Cb 0.06 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3i6i h MET 75 CO -0.12 0.88 0.46 0.93 1.06 0.00 0.00 176.91 180.12 3i6i h GLU 76 N 0.56 0.93 -0.30 1.72 5.08 -0.65 -1.27 114.58 120.65 3i6i h GLU 76 Ca 0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3i6i h GLU 76 Cb 0.81 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3i6i h GLU 76 CO 0.07 0.62 0.12 0.87 -1.00 0.00 0.00 179.01 179.69 3i6i h LYS 77 N 0.95 0.45 -0.17 2.33 6.56 -1.03 -1.73 116.57 123.93 3i6i h LYS 77 Ca 0.26 -0.09 -0.00 0.00 -1.06 0.00 0.00 60.65 59.76 3i6i h LYS 77 Cb -0.10 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.48 3i6i h LYS 77 CO -0.05 0.47 0.09 0.82 -2.06 0.00 0.00 179.45 178.72 3i6i h ILE 78 N 0.33 1.10 -0.46 1.86 2.04 -1.23 0.17 117.51 121.32 3i6i h ILE 78 Ca 0.10 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3i6i h ILE 78 Cb 0.19 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3i6i h ILE 78 CO -0.01 0.09 0.20 -0.07 0.00 0.00 0.00 178.15 178.37 3i6i h LEU 79 N 0.18 0.59 0.03 1.44 3.38 -1.11 -1.23 115.31 118.58 3i6i h LEU 79 Ca 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i6i h LEU 79 Cb 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3i6i h LEU 79 CO -0.01 0.52 -0.01 0.11 0.09 0.00 0.00 178.44 179.13 3i6i h LYS 80 N 0.65 -0.04 -0.82 1.13 1.57 -1.13 -1.87 116.57 116.07 3i6i h LYS 80 Ca 0.16 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3i6i h LYS 80 Cb 0.10 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3i6i h LYS 80 CO -0.02 0.66 0.54 1.49 -0.57 0.00 0.00 179.45 181.54 3i6i h GLU 81 N -0.89 1.05 -0.24 3.15 4.57 -0.54 -2.75 114.58 118.93 3i6i h GLU 81 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3i6i h GLU 81 Cb 0.71 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3i6i h GLU 81 CO 0.01 0.69 0.00 0.72 -1.18 0.00 0.00 179.01 179.25 3i6i n HIS 82 N -4.53 0.29 -3.73 0.92 8.25 -0.48 -4.96 115.22 110.98 3i6i n HIS 82 Ca 0.09 -0.15 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 3i6i n HIS 82 Cb 0.04 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.18 3i6i n HIS 82 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i6i n GLU 83 N 0.95 -5.17 -2.26 -0.41 1.02 -1.04 -4.90 120.64 108.83 3i6i n GLU 83 Ca 0.17 0.63 -0.41 0.00 -0.02 0.00 0.00 57.16 57.53 3i6i n GLU 83 Cb 0.49 -5.28 -0.03 0.00 -0.02 0.00 0.00 31.44 26.60 3i6i n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i6i s ILE 84 N -3.58 3.25 -0.21 -3.67 -1.09 -0.73 -4.65 121.20 110.52 3i6i s ILE 84 Ca 0.15 1.08 0.04 0.00 -2.23 0.00 0.00 60.65 59.69 3i6i s ILE 84 Cb -0.07 -3.69 -0.16 0.00 -1.58 0.00 0.00 42.46 36.96 3i6i s ILE 84 CO 0.81 0.18 -0.14 0.47 -1.23 0.00 0.00 174.94 175.03 3i6i n ASP 85 N 2.25 1.99 -4.15 3.58 8.00 -0.19 -4.62 116.55 123.41 3i6i n ASP 85 Ca 0.04 -0.09 -0.27 0.00 0.71 0.00 0.00 54.79 55.18 3i6i n ASP 85 Cb 0.43 -0.09 -0.16 0.00 -0.02 0.00 0.00 41.12 41.28 3i6i n ASP 85 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i6i s ILE 86 N -2.43 1.51 -0.12 0.53 -1.09 -0.55 -0.02 121.20 119.03 3i6i s ILE 86 Ca -0.25 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.43 3i6i s ILE 86 Cb 0.07 -1.30 0.01 0.00 -1.58 0.00 0.00 42.46 39.66 3i6i s ILE 86 CO 0.55 0.43 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.79 3i6i s VAL 87 N 0.01 1.88 -0.18 2.92 1.01 -0.28 -0.92 120.40 124.84 3i6i s VAL 87 Ca -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3i6i s VAL 87 Cb -0.12 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.62 3i6i s VAL 87 CO 0.02 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 174.75 3i6i s VAL 88 N 0.70 2.04 -0.22 2.92 1.01 0.59 -0.77 120.40 126.66 3i6i s VAL 88 Ca -0.11 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 3i6i s VAL 88 Cb -0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3i6i s VAL 88 CO 0.02 0.54 0.06 -0.55 0.00 0.00 0.00 175.10 175.17 3i6i s SER 89 N 1.30 5.29 -0.23 3.32 0.15 -0.04 -1.09 113.70 122.41 3i6i s SER 89 Ca 0.05 -0.10 0.11 0.00 0.70 0.00 0.00 55.95 56.71 3i6i s SER 89 Cb -0.13 -1.93 0.44 0.00 -1.71 0.00 0.00 66.02 62.69 3i6i s SER 89 CO -0.13 0.05 1.20 0.35 1.20 0.00 0.00 173.24 175.91 3i6i n THR 90 N 4.35 2.10 -1.59 6.45 -2.24 0.43 -2.52 114.28 121.27 3i6i n THR 90 Ca -0.16 -3.41 -0.33 0.00 -2.27 0.00 0.00 64.05 57.88 3i6i n THR 90 Cb 0.52 -0.39 0.06 0.00 -2.10 0.00 0.00 70.33 68.43 3i6i n THR 90 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i6i s VAL 91 N -3.52 3.13 0.92 2.28 -7.23 -1.25 -4.63 120.40 110.10 3i6i s VAL 91 Ca 0.42 0.49 -0.12 0.00 -1.81 0.00 0.00 61.98 60.95 3i6i s VAL 91 Cb 0.38 -2.99 0.14 0.00 0.56 0.00 0.00 36.38 34.47 3i6i s VAL 91 CO -0.04 -0.36 1.12 -0.83 -0.31 0.00 0.00 175.10 174.69 3i6i s GLY 92 N -2.69 1.58 0.39 2.32 0.00 -1.26 -4.85 107.32 102.81 3i6i s GLY 92 Ca 0.66 -0.45 0.12 0.00 0.00 0.00 0.00 44.72 45.06 3i6i s GLY 92 CO 0.45 0.11 1.91 -1.33 0.00 0.00 0.00 173.10 174.24 3i6i h GLY 93 N -1.54 0.91 2.00 0.20 0.00 -1.98 0.89 103.07 103.55 3i6i h GLY 93 Ca -0.51 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3i6i h GLY 93 CO 0.61 0.09 0.00 1.05 0.00 0.00 0.00 176.54 178.29 3i6i h GLU 94 N 0.55 0.00 -0.19 4.80 9.09 -2.03 -3.28 114.58 123.53 3i6i h GLU 94 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 3i6i h GLU 94 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 3i6i h GLU 94 CO -0.15 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.34 3i6i n SER 95 N -2.83 3.09 -0.18 3.06 7.64 0.30 -4.78 113.62 119.92 3i6i n SER 95 Ca 0.00 -2.68 -0.04 0.00 1.01 0.00 0.00 58.87 57.16 3i6i n SER 95 Cb 0.23 -0.38 0.06 0.00 -1.01 0.00 0.00 64.21 63.11 3i6i n SER 95 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3i6i h ILE 96 N 1.21 0.99 0.00 0.44 1.08 -1.60 -1.84 117.51 117.78 3i6i h ILE 96 Ca 0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3i6i h ILE 96 Cb 1.07 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 3i6i h ILE 96 CO 0.10 0.11 0.00 0.18 -0.69 0.00 0.00 178.15 177.84 3i6i n LEU 97 N -4.83 0.00 0.29 1.44 4.77 -1.26 -1.80 117.00 115.60 3i6i n LEU 97 Ca 0.05 0.49 0.19 0.00 -0.03 0.00 0.00 56.01 56.72 3i6i n LEU 97 Cb 0.13 -0.49 1.00 0.00 -2.33 0.00 0.00 43.42 41.73 3i6i n LEU 97 CO 0.30 -0.15 1.08 0.44 -1.33 0.00 0.00 177.39 177.73 3i6i h ASP 98 N 0.00 0.00 1.01 -1.43 3.32 -1.68 -1.65 116.42 115.98 3i6i h ASP 98 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i6i h ASP 98 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3i6i h ASP 98 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 3i6i h GLN 99 N 0.00 0.00 -0.04 3.56 4.20 -1.47 -3.26 115.11 118.11 3i6i h GLN 99 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i6i h GLN 99 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3i6i h GLN 99 CO 0.00 0.00 0.02 0.82 -0.67 0.00 0.00 178.83 179.00 3i6i h ILE 100 N 0.00 1.03 -0.72 2.54 2.04 -1.51 -0.07 117.51 120.82 3i6i h ILE 100 Ca 0.00 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3i6i h ILE 100 Cb 0.50 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3i6i h ILE 100 CO 0.00 0.02 0.37 0.00 0.00 0.00 0.00 178.15 178.54 3i6i h ALA 101 N 0.99 1.29 -0.63 1.87 0.00 -1.78 -1.12 119.26 119.89 3i6i h ALA 101 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i6i h ALA 101 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3i6i h ALA 101 CO -0.00 0.56 0.38 1.25 0.00 0.00 0.00 179.25 181.44 3i6i h LEU 102 N 1.01 0.75 -0.21 0.00 5.85 -1.15 -0.45 115.31 121.11 3i6i h LEU 102 Ca 0.25 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3i6i h LEU 102 Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3i6i h LEU 102 CO -0.04 0.58 0.11 0.58 -0.34 0.00 0.00 178.44 179.34 3i6i h VAL 103 N 0.85 1.12 -0.75 1.05 2.07 -0.62 -0.29 116.25 119.69 3i6i h VAL 103 Ca 0.23 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3i6i h VAL 103 Cb -0.03 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3i6i h VAL 103 CO -0.04 0.12 0.49 0.11 0.02 0.00 0.00 177.57 178.27 3i6i h LYS 104 N 0.22 0.88 -0.29 1.57 1.79 -0.98 -0.36 116.57 119.40 3i6i h LYS 104 Ca 0.07 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 3i6i h LYS 104 Cb 0.10 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3i6i h LYS 104 CO -0.01 0.58 -0.02 0.00 -1.08 0.00 0.00 179.45 178.92 3i6i h ALA 105 N 1.57 0.40 -0.80 3.86 0.00 -0.74 -0.43 119.26 123.11 3i6i h ALA 105 Ca 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i6i h ALA 105 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3i6i h ALA 105 CO -0.09 0.17 0.38 0.52 0.00 0.00 0.00 179.25 180.23 3i6i h MET 106 N 0.31 1.15 -0.54 0.00 2.86 -0.59 -1.46 114.93 116.67 3i6i h MET 106 Ca 0.08 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3i6i h MET 106 Cb 0.47 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3i6i h MET 106 CO 0.02 0.89 0.26 -0.22 1.06 0.00 0.00 176.91 178.92 3i6i h LYS 107 N 1.13 0.77 -0.64 1.72 3.64 -0.90 -1.34 116.57 120.96 3i6i h LYS 107 Ca 0.27 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3i6i h LYS 107 Cb 0.12 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3i6i h LYS 107 CO -0.03 0.63 0.40 0.00 -2.27 0.00 0.00 179.45 178.18 3i6i h ALA 108 N 1.10 0.81 -0.05 5.00 0.00 -0.70 -3.15 119.26 122.27 3i6i h ALA 108 Ca 0.18 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3i6i h ALA 108 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i6i h ALA 108 CO -0.02 0.27 -0.86 -0.39 0.00 0.00 0.00 179.25 178.25 3i6i h VAL 109 N 0.87 1.35 0.00 0.00 -1.51 -1.20 -3.48 116.25 112.29 3i6i h VAL 109 Ca 0.23 -2.23 0.00 0.00 -1.23 0.00 0.00 66.70 63.47 3i6i h VAL 109 Cb -0.06 2.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3i6i h VAL 109 CO -0.05 0.68 0.00 0.61 -1.23 0.00 0.00 177.57 177.58 3i6i n GLY 110 N 0.79 0.64 0.59 5.19 0.00 -0.51 -4.87 105.19 107.02 3i6i n GLY 110 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3i6i n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i6i n THR 111 N -2.45 0.25 -2.54 2.61 -2.24 -1.26 -4.99 114.28 103.66 3i6i n THR 111 Ca 0.00 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 3i6i n THR 111 Cb 0.04 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 3i6i n THR 111 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i6i s ILE 112 N -1.08 4.40 -0.11 2.28 -1.09 -1.26 -4.77 121.20 119.57 3i6i s ILE 112 Ca 0.19 1.72 0.16 0.00 -2.23 0.00 0.00 60.65 60.49 3i6i s ILE 112 Cb 0.12 -4.10 -0.16 0.00 -1.58 0.00 0.00 42.46 36.74 3i6i s ILE 112 CO 0.17 0.11 0.77 0.29 -1.23 0.00 0.00 174.94 175.06 3i6i n LYS 113 N 4.11 0.62 -3.65 2.79 4.76 0.97 -4.58 118.16 123.17 3i6i n LYS 113 Ca 0.08 0.23 -0.11 0.00 -2.87 0.00 0.00 58.31 55.65 3i6i n LYS 113 Cb 0.48 -1.80 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 3i6i n LYS 113 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3i6i s ARG 114 N -2.85 0.72 -0.12 1.97 6.06 -1.12 -4.66 118.95 118.94 3i6i s ARG 114 Ca -0.03 1.05 0.02 0.00 -2.50 0.00 0.00 55.73 54.26 3i6i s ARG 114 Cb 0.09 0.24 -0.01 0.00 0.06 0.00 0.00 34.95 35.33 3i6i s ARG 114 CO 0.82 -0.12 -0.19 0.12 -2.50 0.00 0.00 175.30 173.43 3i6i s PHE 115 N 1.01 2.69 -0.40 5.12 5.99 -0.03 -1.13 117.98 131.23 3i6i s PHE 115 Ca -0.05 -0.91 -0.05 0.00 0.00 0.00 0.00 56.93 55.92 3i6i s PHE 115 Cb -0.05 -1.79 0.09 0.00 0.00 0.00 0.00 43.02 41.27 3i6i s PHE 115 CO -0.09 -0.36 0.21 -0.51 -0.00 0.00 0.00 175.22 174.47 3i6i s LEU 116 N 0.43 5.09 1.10 6.12 1.02 0.05 -1.72 118.68 130.78 3i6i s LEU 116 Ca -0.13 -1.78 -0.16 0.00 0.02 0.00 0.00 54.13 52.08 3i6i s LEU 116 Cb -0.17 -1.87 0.24 0.00 0.02 0.00 0.00 46.19 44.41 3i6i s LEU 116 CO 0.06 -0.52 1.11 -2.16 0.02 0.00 0.00 176.35 174.86 3i6i s PRO 117 N 1.25 -0.40 -1.15 1.29 0.04 -1.26 -0.86 135.00 133.91 3i6i s PRO 117 Ca 0.05 0.16 -0.21 0.00 0.04 0.00 0.00 61.00 61.04 3i6i s PRO 117 Cb -0.23 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.67 3i6i s PRO 117 CO -0.02 -3.21 1.67 0.45 0.04 0.00 0.00 177.00 175.93 3i6i s SER 118 N -3.77 6.36 0.00 6.66 0.15 -1.05 -4.66 113.70 117.40 3i6i s SER 118 Ca 0.68 -1.83 0.00 0.00 0.70 0.00 0.00 55.95 55.50 3i6i s SER 118 Cb -0.13 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 3i6i s SER 118 CO 0.56 -1.65 0.00 -0.62 1.20 0.00 0.00 173.24 172.73 3i6i n GLU 119 N 8.61 0.00 -2.85 5.44 -0.58 -1.26 -4.97 120.64 125.03 3i6i n GLU 119 Ca 0.42 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.95 3i6i n GLU 119 Cb 0.48 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.38 3i6i n GLU 119 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3i6i n PHE 120 N 0.00 -1.67 0.00 -0.32 3.01 0.51 -4.86 117.46 114.13 3i6i n PHE 120 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.86 3i6i n PHE 120 Cb 0.00 -4.21 0.00 0.00 -0.01 0.00 0.00 39.48 35.26 3i6i n PHE 120 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i6i n GLY 121 N -1.39 2.01 3.98 1.37 0.00 -1.23 -4.63 105.19 105.29 3i6i n GLY 121 Ca -0.13 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3i6i n GLY 121 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i6i s HIS 122 N 2.09 1.83 -0.65 1.61 3.76 -1.26 -1.48 115.29 121.20 3i6i s HIS 122 Ca 0.00 -0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 54.53 3i6i s HIS 122 Cb 0.00 -3.07 0.06 0.00 1.11 0.00 0.00 32.58 30.68 3i6i s HIS 122 CO 0.00 -1.66 1.02 0.34 -0.85 0.00 0.00 174.74 173.58 3i6i s ASP 123 N -4.70 6.22 0.60 1.40 -1.08 -1.26 -4.80 116.67 113.05 3i6i s ASP 123 Ca 0.65 -0.72 0.38 0.00 -0.52 0.00 0.00 52.55 52.35 3i6i s ASP 123 Cb -0.06 -2.45 1.86 0.00 -1.46 0.00 0.00 42.92 40.81 3i6i s ASP 123 CO 0.44 -1.46 2.17 -0.37 0.52 0.00 0.00 175.17 176.48 3i6i h VAL 124 N 6.00 0.07 0.00 1.11 -1.51 -1.95 -0.77 116.25 119.20 3i6i h VAL 124 Ca -0.28 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3i6i h VAL 124 Cb 1.07 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3i6i h VAL 124 CO 1.18 0.01 -0.04 0.59 -1.23 0.00 0.00 177.57 178.08 3i6i n ASN 125 N -3.15 0.58 -0.08 4.19 5.03 -1.26 -4.12 115.26 116.44 3i6i n ASN 125 Ca -0.01 0.52 -0.10 0.00 0.87 0.00 0.00 54.58 55.85 3i6i n ASN 125 Cb 0.19 -0.65 -0.10 0.00 -1.02 0.00 0.00 39.78 38.20 3i6i n ASN 125 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i6i n ARG 126 N -2.03 1.05 -2.81 3.52 1.74 -0.60 -5.02 116.66 112.50 3i6i n ARG 126 Ca 0.06 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.84 3i6i n ARG 126 Cb 0.40 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.41 3i6i n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i6i s ALA 127 N -2.36 3.11 -0.46 7.54 0.00 -0.40 -5.02 121.76 124.17 3i6i s ALA 127 Ca -0.16 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.32 3i6i s ALA 127 Cb 0.05 -3.16 0.27 0.00 0.00 0.00 0.00 23.12 20.29 3i6i s ALA 127 CO 0.51 0.15 0.64 -3.47 0.00 0.00 0.00 175.76 173.59 3i6i n ASP 128 N -0.14 1.42 -4.77 0.00 2.03 -1.26 -4.87 116.55 108.96 3i6i n ASP 128 Ca 0.05 -2.99 -0.32 0.00 0.52 0.00 0.00 54.79 52.05 3i6i n ASP 128 Cb 0.52 -0.64 0.08 0.00 -0.72 0.00 0.00 41.12 40.37 3i6i n ASP 128 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i6i s PRO 129 N -1.84 2.37 1.01 -0.67 0.04 -1.26 -5.02 135.00 129.63 3i6i s PRO 129 Ca 0.38 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 3i6i s PRO 129 Cb 0.20 -1.91 0.19 0.00 0.04 0.00 0.00 34.50 33.03 3i6i s PRO 129 CO -0.08 -1.56 1.08 0.14 0.04 0.00 0.00 177.00 176.62 3i6i s VAL 130 N -2.72 2.16 0.54 -0.36 -7.23 -1.26 -4.07 120.40 107.46 3i6i s VAL 130 Ca 0.63 0.05 -0.19 0.00 -1.81 0.00 0.00 61.98 60.66 3i6i s VAL 130 Cb -0.18 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 3i6i s VAL 130 CO 0.52 -0.07 1.13 -1.61 -0.31 0.00 0.00 175.10 174.76 3i6i s GLU 131 N -4.88 3.36 0.00 4.82 0.41 -1.26 -1.73 118.70 119.42 3i6i s GLU 131 Ca 0.65 1.60 0.16 0.00 -0.41 0.00 0.00 54.97 56.98 3i6i s GLU 131 Cb -0.19 -2.01 0.50 0.00 -1.78 0.00 0.00 34.13 30.65 3i6i s GLU 131 CO 0.59 -0.84 1.40 -0.35 -0.49 0.00 0.00 175.26 175.57 3i6i n PRO 132 N -1.30 1.93 -0.33 0.39 -0.04 -1.26 -4.53 135.00 129.86 3i6i n PRO 132 Ca 0.12 -1.43 0.04 0.00 -0.04 0.00 0.00 63.50 62.19 3i6i n PRO 132 Cb 0.51 -1.36 0.19 0.00 -0.04 0.00 0.00 33.50 32.80 3i6i n PRO 132 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3i6i h GLY 133 N 5.02 1.46 0.96 0.55 0.00 -1.61 -2.65 103.07 106.80 3i6i h GLY 133 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.98 3i6i h GLY 133 CO 0.00 0.18 0.63 -2.00 0.00 0.00 0.00 176.54 175.35 3i6i h LEU 134 N 0.93 1.05 -0.76 3.11 5.85 -1.48 -1.85 115.31 122.17 3i6i h LEU 134 Ca 0.44 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 3i6i h LEU 134 Cb 0.37 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3i6i h LEU 134 CO -0.24 0.73 0.47 -1.13 -0.34 0.00 0.00 178.44 177.93 3i6i h ASN 135 N 1.23 0.90 -0.73 1.25 -1.24 -1.77 0.24 115.58 115.45 3i6i h ASN 135 Ca 0.37 -0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.35 3i6i h ASN 135 Cb -0.03 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.76 3i6i h ASN 135 CO -0.11 0.68 0.47 -0.03 -1.29 0.00 0.00 177.43 177.16 3i6i h MET 136 N 1.03 0.92 -0.34 6.67 4.05 -1.35 -1.51 114.93 124.41 3i6i h MET 136 Ca 0.27 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.53 3i6i h MET 136 Cb -0.06 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.51 3i6i h MET 136 CO -0.05 0.61 -0.24 1.88 0.23 0.00 0.00 176.91 179.34 3i6i h TYR 137 N 0.95 0.76 -0.71 1.39 -1.99 -0.72 -1.11 116.97 115.53 3i6i h TYR 137 Ca 0.28 -0.17 0.11 0.00 2.00 0.00 0.00 58.73 60.95 3i6i h TYR 137 Cb -0.06 -0.18 -0.08 0.00 2.00 0.00 0.00 36.73 38.41 3i6i h TYR 137 CO -0.03 0.84 0.33 0.00 -0.00 0.00 0.00 178.16 179.31 3i6i h ARG 138 N 0.59 0.53 -0.36 4.88 3.08 -0.04 0.15 114.38 123.20 3i6i h ARG 138 Ca 0.08 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3i6i h ARG 138 Cb 0.72 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3i6i h ARG 138 CO 0.05 0.35 -0.03 0.93 -1.07 0.00 0.00 179.97 180.20 3i6i h GLU 139 N 0.54 0.66 -0.69 0.04 5.08 -0.83 -1.57 114.58 117.81 3i6i h GLU 139 Ca 0.36 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3i6i h GLU 139 Cb 0.44 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3i6i h GLU 139 CO -0.31 0.79 0.26 0.87 -1.00 0.00 0.00 179.01 179.62 3i6i h LYS 140 N 0.46 1.02 -0.52 2.33 1.57 -0.80 -1.58 116.57 119.06 3i6i h LYS 140 Ca 0.10 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3i6i h LYS 140 Cb 0.52 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3i6i h LYS 140 CO 0.03 0.84 -0.06 0.00 -0.57 0.00 0.00 179.45 179.69 3i6i h ARG 141 N 1.00 0.92 -0.55 3.15 3.08 -0.63 -1.05 114.38 120.30 3i6i h ARG 141 Ca 0.23 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3i6i h ARG 141 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3i6i h ARG 141 CO -0.02 0.95 0.08 -0.09 -1.07 0.00 0.00 179.97 179.82 3i6i h ARG 142 N 0.83 0.91 -0.72 0.04 1.12 -0.99 -0.31 114.38 115.26 3i6i h ARG 142 Ca 0.14 -0.25 -0.03 0.00 -1.11 0.00 0.00 59.98 58.73 3i6i h ARG 142 Cb 0.57 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.40 3i6i h ARG 142 CO 0.03 0.88 0.31 0.28 -3.11 0.00 0.00 179.97 178.37 3i6i h VAL 143 N 0.79 1.24 -0.60 0.20 2.07 -1.02 -1.09 116.25 117.85 3i6i h VAL 143 Ca 0.16 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3i6i h VAL 143 Cb 0.42 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3i6i h VAL 143 CO 0.01 0.30 0.17 0.03 0.02 0.00 0.00 177.57 178.10 3i6i h ARG 144 N 1.01 0.95 -0.01 1.57 3.08 -0.77 -0.04 114.38 120.17 3i6i h ARG 144 Ca 0.24 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3i6i h ARG 144 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3i6i h ARG 144 CO -0.02 0.85 -0.05 0.37 -1.07 0.00 0.00 179.97 180.05 3i6i h GLN 145 N 0.86 -0.08 -0.48 0.04 -0.00 -0.82 -0.34 115.11 114.30 3i6i h GLN 145 Ca 0.19 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.88 3i6i h GLN 145 Cb 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.78 3i6i h GLN 145 CO -0.00 -0.05 0.27 1.25 0.00 0.00 0.00 178.83 180.29 3i6i h LEU 146 N -0.08 0.42 -0.23 -2.39 5.85 -0.89 -0.90 115.31 117.09 3i6i h LEU 146 Ca 0.02 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3i6i h LEU 146 Cb 0.11 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3i6i h LEU 146 CO -0.06 0.29 0.03 0.58 -0.34 0.00 0.00 178.44 178.95 3i6i h VAL 147 N 0.53 0.88 -0.40 1.05 2.07 -0.71 -0.26 116.25 119.42 3i6i h VAL 147 Ca 0.20 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.55 3i6i h VAL 147 Cb 0.06 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3i6i h VAL 147 CO -0.11 0.02 -0.23 -0.33 0.02 0.00 0.00 177.57 176.94 3i6i h GLU 148 N 0.12 0.86 0.00 1.57 5.08 -0.87 -2.62 114.58 118.72 3i6i h GLU 148 Ca 0.10 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 3i6i h GLU 148 Cb 0.11 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3i6i h GLU 148 CO -0.15 1.04 -0.12 0.93 -1.00 0.00 0.00 179.01 179.71 3i6i h GLU 149 N 0.67 0.00 -0.00 2.33 5.08 -1.06 -2.27 114.58 119.33 3i6i h GLU 149 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i6i h GLU 149 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3i6i h GLU 149 CO 0.07 0.12 -0.03 0.43 -1.00 0.00 0.00 179.01 178.59 3i6i n SER 150 N -3.24 0.11 -1.00 1.42 7.64 -0.12 -4.93 113.62 113.50 3i6i n SER 150 Ca 0.01 -0.21 -0.11 0.00 1.01 0.00 0.00 58.87 59.57 3i6i n SER 150 Cb 0.39 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 3i6i n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i6i n GLY 151 N 1.30 0.73 3.71 0.23 0.00 -0.85 -4.89 105.19 105.40 3i6i n GLY 151 Ca 0.14 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 3i6i n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i6i s ILE 152 N -2.46 5.02 0.32 -0.61 1.01 -1.04 -5.01 121.20 118.42 3i6i s ILE 152 Ca 0.00 1.47 -0.29 0.00 0.00 0.00 0.00 60.65 61.83 3i6i s ILE 152 Cb 0.00 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 3i6i s ILE 152 CO 0.00 0.21 1.34 -2.84 0.00 0.00 0.00 174.94 173.65 3i6i s PRO 153 N 1.06 4.33 0.14 2.79 0.02 -1.26 -4.72 135.00 137.36 3i6i s PRO 153 Ca 0.37 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.65 3i6i s PRO 153 Cb -0.18 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 3i6i s PRO 153 CO 0.17 -0.24 -0.01 -0.59 -0.33 0.00 0.00 177.00 176.00 3i6i s PHE 154 N -0.93 1.04 -0.05 6.54 -0.71 -1.26 -0.85 117.98 121.76 3i6i s PHE 154 Ca 0.51 -1.02 -0.02 0.00 -1.04 0.00 0.00 56.93 55.36 3i6i s PHE 154 Cb -0.40 -0.60 0.04 0.00 -1.21 0.00 0.00 43.02 40.85 3i6i s PHE 154 CO 0.52 -0.24 0.11 0.99 -1.34 0.00 0.00 175.22 175.26 3i6i s THR 155 N -3.71 -0.07 -0.34 -4.49 2.01 -0.70 0.25 115.64 108.59 3i6i s THR 155 Ca 0.20 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.30 3i6i s THR 155 Cb 0.06 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.38 3i6i s THR 155 CO 0.00 0.09 0.18 -0.31 -0.69 0.00 0.00 174.62 173.89 3i6i s TYR 156 N 1.24 3.21 -0.57 4.92 2.02 -0.65 -4.24 117.35 123.29 3i6i s TYR 156 Ca -0.08 -0.80 -0.24 0.00 -0.37 0.00 0.00 57.07 55.57 3i6i s TYR 156 Cb -0.12 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.09 3i6i s TYR 156 CO -0.05 -0.56 0.97 0.42 -1.57 0.00 0.00 175.55 174.76 3i6i s ILE 157 N 1.58 4.33 -0.93 2.71 -1.09 -1.26 -0.19 121.20 126.34 3i6i s ILE 157 Ca 0.03 0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 58.73 3i6i s ILE 157 Cb -0.18 -4.58 0.26 0.00 -1.58 0.00 0.00 42.46 36.38 3i6i s ILE 157 CO 0.06 -1.18 1.04 0.00 -1.23 0.00 0.00 174.94 173.64 3i6i n ASN 160 N -0.03 0.00 -4.81 0.00 3.02 -0.55 -4.69 115.26 108.20 3i6i n ASN 160 Ca 0.18 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 3i6i n ASN 160 Cb 0.29 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 3i6i n ASN 160 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3i6i s SER 161 N -4.00 7.05 0.48 6.41 0.01 -0.59 -4.56 113.70 118.50 3i6i s SER 161 Ca 0.00 1.25 -0.23 0.00 1.31 0.00 0.00 55.95 58.28 3i6i s SER 161 Cb 0.00 -2.35 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 3i6i s SER 161 CO 0.00 0.27 1.27 -0.51 0.41 0.00 0.00 173.24 174.68 3i6i s ILE 162 N -1.12 2.62 -1.25 1.44 2.07 -1.26 -0.52 121.20 123.18 3i6i s ILE 162 Ca 0.29 0.49 -0.16 0.00 -1.41 0.00 0.00 60.65 59.86 3i6i s ILE 162 Cb -0.19 -3.26 -0.03 0.00 0.13 0.00 0.00 42.46 39.11 3i6i s ILE 162 CO 0.19 0.01 2.18 0.00 -1.91 0.00 0.00 174.94 175.41 3i6i n ALA 163 N -0.55 4.98 -2.24 1.50 0.00 -0.15 -4.58 120.51 119.47 3i6i n ALA 163 Ca 0.08 -3.64 -0.14 0.00 0.00 0.00 0.00 53.44 49.74 3i6i n ALA 163 Cb 0.46 -3.54 -0.10 0.00 0.00 0.00 0.00 19.45 16.26 3i6i n ALA 163 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i6i s SER 164 N 3.68 1.67 0.10 0.00 0.01 -1.26 -4.89 113.70 113.01 3i6i s SER 164 Ca 0.51 -1.01 -0.31 0.00 1.31 0.00 0.00 55.95 56.45 3i6i s SER 164 Cb 0.14 0.01 -0.09 0.00 0.21 0.00 0.00 66.02 66.29 3i6i s SER 164 CO -0.03 -0.35 1.59 0.86 0.41 0.00 0.00 173.24 175.72 3i6i s TRP 165 N -3.37 2.72 -1.29 2.43 -0.11 -1.10 -4.90 118.94 113.32 3i6i s TRP 165 Ca 0.16 0.49 -0.18 0.00 1.22 0.00 0.00 56.10 57.79 3i6i s TRP 165 Cb 0.03 -3.92 0.06 0.00 -1.50 0.00 0.00 33.47 28.14 3i6i s TRP 165 CO -0.00 -3.54 1.77 -0.35 -4.62 0.00 0.00 176.95 170.20 3i6i n PRO 166 N 4.91 3.06 -2.34 5.86 -0.04 -1.26 -4.71 135.00 140.48 3i6i n PRO 166 Ca 0.15 -3.19 -0.33 0.00 -0.04 0.00 0.00 63.50 60.08 3i6i n PRO 166 Cb 0.40 -3.51 -0.02 0.00 -0.04 0.00 0.00 33.50 30.33 3i6i n PRO 166 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i6i s TYR 167 N 4.75 3.10 0.13 0.54 2.02 -1.26 -4.97 117.35 121.66 3i6i s TYR 167 Ca 0.55 1.53 0.21 0.00 -0.37 0.00 0.00 57.07 59.00 3i6i s TYR 167 Cb 0.04 -2.98 0.78 0.00 -0.40 0.00 0.00 41.96 39.40 3i6i s TYR 167 CO 0.08 -0.81 1.77 0.10 -1.57 0.00 0.00 175.55 175.12 3i6i h TYR 168 N 1.03 0.00 -0.01 2.71 -0.00 -1.94 -3.16 116.97 115.60 3i6i h TYR 168 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 3i6i h TYR 168 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 3i6i h TYR 168 CO 0.59 0.30 -0.43 0.27 -0.00 0.00 0.00 178.16 178.89 3i6i n ASN 169 N -3.44 1.40 -1.96 0.10 6.94 -1.26 -2.39 115.26 114.64 3i6i n ASN 169 Ca 0.00 -1.20 -0.19 0.00 -0.02 0.00 0.00 54.58 53.18 3i6i n ASN 169 Cb 0.48 0.60 0.02 0.00 -2.36 0.00 0.00 39.78 38.51 3i6i n ASN 169 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3i6i n ASN 170 N -0.43 -1.94 0.00 0.53 6.94 -1.20 -4.61 115.26 114.55 3i6i n ASN 170 Ca 0.06 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 3i6i n ASN 170 Cb 0.31 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3i6i n ASN 170 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3i6i n VAL 176 N -1.56 0.00 -3.04 3.53 0.24 -1.26 -4.99 118.33 111.25 3i6i n VAL 176 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.89 3i6i n VAL 176 Cb 0.34 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.66 3i6i n VAL 176 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 3i6i s LEU 177 N -0.46 4.25 0.99 1.34 -0.00 -1.26 -2.71 118.68 120.83 3i6i s LEU 177 Ca 0.00 1.09 -0.12 0.00 -0.00 0.00 0.00 54.13 55.10 3i6i s LEU 177 Cb 0.00 -3.06 0.12 0.00 -0.00 0.00 0.00 46.19 43.26 3i6i s LEU 177 CO 0.00 -0.21 0.71 -2.65 -0.00 0.00 0.00 176.35 174.21 3i6i n PRO 178 N 4.37 -0.81 -2.55 1.48 -0.02 -1.26 -4.91 135.00 131.30 3i6i n PRO 178 Ca -0.00 -0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 60.95 3i6i n PRO 178 Cb 0.50 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 3i6i n PRO 178 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i6i s PRO 179 N -4.08 3.83 0.00 0.52 0.04 -1.26 -4.96 135.00 129.09 3i6i s PRO 179 Ca 0.62 1.32 0.14 0.00 0.04 0.00 0.00 61.00 63.12 3i6i s PRO 179 Cb -0.21 -2.10 0.23 0.00 0.04 0.00 0.00 34.50 32.46 3i6i s PRO 179 CO 0.64 -0.40 1.12 0.25 0.04 0.00 0.00 177.00 178.65 3i6i n THR 180 N -0.99 0.42 0.01 1.26 -2.24 -1.26 -4.81 114.28 106.67 3i6i n THR 180 Ca 0.09 -0.71 -0.03 0.00 -2.27 0.00 0.00 64.05 61.13 3i6i n THR 180 Cb 0.53 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 3i6i n THR 180 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3i6i n ASP 181 N 0.82 0.85 -3.59 3.42 5.75 -1.26 -5.07 116.55 117.47 3i6i n ASP 181 Ca 0.11 0.12 -0.12 0.00 -0.01 0.00 0.00 54.79 54.90 3i6i n ASP 181 Cb 0.41 -0.29 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 3i6i n ASP 181 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3i6i s PHE 182 N -2.11 -0.31 -0.18 2.11 -0.71 -1.26 -4.36 117.98 111.16 3i6i s PHE 182 Ca -0.05 0.12 -0.09 0.00 -1.04 0.00 0.00 56.93 55.87 3i6i s PHE 182 Cb 0.01 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 3i6i s PHE 182 CO 0.07 -0.70 0.12 -0.06 -1.34 0.00 0.00 175.22 173.31 3i6i s PHE 183 N -3.37 3.42 -0.38 3.49 0.08 -0.24 -4.80 117.98 116.18 3i6i s PHE 183 Ca 0.00 0.34 -0.19 0.00 0.12 0.00 0.00 56.93 57.19 3i6i s PHE 183 Cb 0.01 -2.10 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 3i6i s PHE 183 CO -0.09 0.37 0.58 -0.65 -0.10 0.00 0.00 175.22 175.33 3i6i s GLN 184 N 0.04 3.53 -0.27 0.44 -0.21 -1.26 -1.05 119.66 120.89 3i6i s GLN 184 Ca 0.09 -0.18 -0.09 0.00 0.02 0.00 0.00 55.36 55.20 3i6i s GLN 184 Cb -0.11 -3.85 -0.03 0.00 1.00 0.00 0.00 33.01 30.01 3i6i s GLN 184 CO -0.00 -0.77 0.12 0.42 -2.12 0.00 0.00 175.29 172.94 3i6i s ILE 185 N 2.57 4.68 -0.03 1.08 -1.09 0.10 -4.89 121.20 123.62 3i6i s ILE 185 Ca 0.21 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.25 3i6i s ILE 185 Cb -0.15 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3i6i s ILE 185 CO 0.15 0.29 1.16 -0.31 -1.23 0.00 0.00 174.94 175.00 3i6i s TYR 186 N 1.66 3.31 0.00 3.97 2.02 -1.26 -0.18 117.35 126.88 3i6i s TYR 186 Ca 0.06 1.31 0.00 0.00 -0.37 0.00 0.00 57.07 58.08 3i6i s TYR 186 Cb -0.16 -3.37 0.00 0.00 -0.40 0.00 0.00 41.96 38.03 3i6i s TYR 186 CO 0.06 -1.08 0.00 0.41 -1.57 0.00 0.00 175.55 173.37 3i6i n GLY 187 N 3.27 3.46 0.41 0.71 0.00 0.39 -1.43 105.19 111.99 3i6i n GLY 187 Ca 0.10 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3i6i n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i6i n ASP 188 N 4.49 1.29 -1.11 1.61 8.00 -1.26 -4.75 116.55 124.82 3i6i n ASP 188 Ca 0.00 -1.39 -0.13 0.00 0.71 0.00 0.00 54.79 53.98 3i6i n ASP 188 Cb 0.00 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 3i6i n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6i n GLY 189 N 1.17 1.06 0.15 0.44 0.00 -0.52 -4.89 105.19 102.61 3i6i n GLY 189 Ca 0.19 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.91 3i6i n GLY 189 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i6i n ASN 190 N -0.20 2.24 -4.39 1.61 6.94 -1.26 -2.63 115.26 117.57 3i6i n ASN 190 Ca -0.14 -3.20 -0.36 0.00 -0.02 0.00 0.00 54.58 50.86 3i6i n ASN 190 Cb 0.47 -0.44 -0.13 0.00 -2.36 0.00 0.00 39.78 37.32 3i6i n ASN 190 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3i6i s VAL 191 N -2.91 3.90 0.40 3.53 1.01 -1.26 -4.99 120.40 120.07 3i6i s VAL 191 Ca 0.33 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 3i6i s VAL 191 Cb 0.29 -2.80 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 3i6i s VAL 191 CO 0.01 0.39 1.15 -0.54 0.00 0.00 0.00 175.10 176.11 3i6i s LYS 192 N 1.46 4.05 0.11 2.72 -0.14 -1.26 -4.17 119.74 122.51 3i6i s LYS 192 Ca 0.05 1.78 -0.00 0.00 -1.36 0.00 0.00 55.97 56.44 3i6i s LYS 192 Cb -0.15 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 3i6i s LYS 192 CO 0.01 -0.30 0.00 0.00 -0.76 0.00 0.00 175.35 174.30 3i6i s ALA 193 N -1.46 0.85 -0.19 5.17 0.00 -0.27 -4.63 121.76 121.22 3i6i s ALA 193 Ca 0.58 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 3i6i s ALA 193 Cb -0.29 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3i6i s ALA 193 CO 0.37 -0.39 0.04 0.71 0.00 0.00 0.00 175.76 176.48 3i6i s TYR 194 N -3.89 3.16 -0.13 0.00 1.51 -1.26 -1.32 117.35 115.42 3i6i s TYR 194 Ca 0.17 -0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 3i6i s TYR 194 Cb 0.07 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 3i6i s TYR 194 CO -0.02 0.01 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.27 3i6i s PHE 195 N 0.59 2.88 -0.05 2.71 0.08 -0.87 -1.54 117.98 121.78 3i6i s PHE 195 Ca 0.01 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.62 3i6i s PHE 195 Cb -0.13 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 3i6i s PHE 195 CO 0.02 -0.10 -0.09 0.08 -0.10 0.00 0.00 175.22 175.02 3i6i s VAL 196 N 0.23 0.91 0.33 -0.44 1.01 0.32 -4.79 120.40 117.97 3i6i s VAL 196 Ca -0.06 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3i6i s VAL 196 Cb -0.15 -0.86 -0.12 0.00 0.00 0.00 0.00 36.38 35.26 3i6i s VAL 196 CO 0.04 0.30 1.43 0.00 0.00 0.00 0.00 175.10 176.88 3i6i n ALA 197 N 3.84 1.86 -0.31 5.51 0.00 -1.26 -0.98 120.51 129.17 3i6i n ALA 197 Ca -0.23 0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.63 3i6i n ALA 197 Cb 0.52 -2.35 0.16 0.00 0.00 0.00 0.00 19.45 17.77 3i6i n ALA 197 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i6i h GLY 198 N 3.37 0.80 1.63 0.00 0.00 -1.95 -0.22 103.07 106.70 3i6i h GLY 198 Ca -0.47 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3i6i h GLY 198 CO 0.68 -0.37 0.06 -0.91 0.00 0.00 0.00 176.54 176.00 3i6i h THR 199 N 0.02 1.16 -0.07 4.70 1.35 -1.93 -1.61 112.91 116.53 3i6i h THR 199 Ca 0.46 -0.59 -0.20 0.00 -0.55 0.00 0.00 66.41 65.53 3i6i h THR 199 Cb 0.78 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3i6i h THR 199 CO -0.88 0.21 -0.79 0.44 -0.25 0.00 0.00 175.52 174.24 3i6i h ASP 200 N 0.46 0.58 -0.58 5.36 3.32 -1.50 -0.90 116.42 123.17 3i6i h ASP 200 Ca 0.11 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.78 3i6i h ASP 200 Cb 0.21 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3i6i h ASP 200 CO -0.00 1.17 0.36 0.40 -1.72 0.00 0.00 179.24 179.44 3i6i h ILE 201 N 0.31 1.08 -0.05 0.35 2.04 -0.55 -1.48 117.51 119.21 3i6i h ILE 201 Ca -0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3i6i h ILE 201 Cb 1.39 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3i6i h ILE 201 CO 0.14 0.13 0.01 1.23 0.00 0.00 0.00 178.15 179.66 3i6i h GLY 202 N 0.71 0.09 0.96 5.37 0.00 -1.25 -1.73 103.07 107.20 3i6i h GLY 202 Ca 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3i6i h GLY 202 CO -0.09 0.05 -0.00 1.70 0.00 0.00 0.00 176.54 178.20 3i6i h LYS 203 N -0.15 -0.01 -0.00 4.80 3.64 -1.03 -1.96 116.57 121.85 3i6i h LYS 203 Ca 0.02 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.18 3i6i h LYS 203 Cb 0.26 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3i6i h LYS 203 CO 0.00 0.03 -0.92 0.74 -2.27 0.00 0.00 179.45 177.03 3i6i h PHE 204 N -0.06 0.55 -0.50 1.91 0.04 -1.35 -2.71 116.94 114.82 3i6i h PHE 204 Ca -0.00 -0.30 0.09 0.00 2.80 0.00 0.00 57.97 60.57 3i6i h PHE 204 Cb 0.05 -0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.06 3i6i h PHE 204 CO -0.06 1.11 0.05 1.15 -0.60 0.00 0.00 178.31 179.96 3i6i h THR 205 N 0.21 0.66 0.00 -1.55 2.02 -1.20 -2.44 112.91 110.61 3i6i h THR 205 Ca -0.07 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 3i6i h THR 205 Cb 1.55 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3i6i h THR 205 CO 0.16 0.03 -0.35 0.24 0.37 0.00 0.00 175.52 175.97 3i6i h MET 206 N 0.17 0.00 0.00 6.66 2.86 -1.17 -2.18 114.93 121.27 3i6i h MET 206 Ca 0.25 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 3i6i h MET 206 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3i6i h MET 206 CO -0.38 0.35 -0.34 0.87 1.06 0.00 0.00 176.91 178.47 3i6i h LYS 207 N 0.00 0.00 0.00 1.72 1.57 -1.13 -3.10 116.57 115.63 3i6i h LYS 207 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i6i h LYS 207 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3i6i h LYS 207 CO 0.05 0.34 0.00 1.79 -0.57 0.00 0.00 179.45 181.06 3i6i h THR 208 N 0.00 0.00 0.00 -0.16 1.35 -1.23 -3.36 112.91 109.52 3i6i h THR 208 Ca -0.00 -0.56 -0.04 0.00 -0.55 0.00 0.00 66.41 65.26 3i6i h THR 208 Cb 0.69 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3i6i h THR 208 CO 0.04 0.00 -0.18 -0.37 -0.25 0.00 0.00 175.52 174.76 3i6i h VAL 209 N 0.00 0.56 0.00 6.82 -1.51 -1.60 -2.83 116.25 117.70 3i6i h VAL 209 Ca 0.00 -0.87 -0.00 0.00 -1.23 0.00 0.00 66.70 64.60 3i6i h VAL 209 Cb 0.57 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3i6i h VAL 209 CO 0.00 0.18 -0.28 -0.90 -1.23 0.00 0.00 177.57 175.34 3i6i n ASP 210 N -3.50 1.10 -4.69 4.19 5.68 -1.26 -4.73 116.55 113.34 3i6i n ASP 210 Ca -0.01 -2.51 -0.42 0.00 -0.50 0.00 0.00 54.79 51.34 3i6i n ASP 210 Cb 0.35 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 3i6i n ASP 210 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3i6i s ASP 211 N -1.89 7.24 0.57 -1.12 -1.08 -1.07 -4.93 116.67 114.39 3i6i s ASP 211 Ca 0.15 1.52 0.26 0.00 -0.52 0.00 0.00 52.55 53.96 3i6i s ASP 211 Cb 0.13 -2.55 1.56 0.00 -1.46 0.00 0.00 42.92 40.60 3i6i s ASP 211 CO 0.01 -0.41 2.11 1.62 0.52 0.00 0.00 175.17 179.03 3i6i h VAL 212 N 5.05 0.63 0.00 1.11 3.04 -1.96 -2.67 116.25 121.45 3i6i h VAL 212 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3i6i h VAL 212 Cb 1.16 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 3i6i h VAL 212 CO 0.84 0.00 -0.12 0.54 -1.01 0.00 0.00 177.57 177.82 3i6i n ARG 213 N -4.06 0.00 -0.09 4.17 1.74 -1.26 -3.25 116.66 113.92 3i6i n ARG 213 Ca 0.01 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.17 3i6i n ARG 213 Cb 0.29 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.34 3i6i n ARG 213 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i6i n THR 214 N -1.51 0.42 -2.01 0.55 -2.24 -1.01 -4.91 114.28 103.57 3i6i n THR 214 Ca 0.07 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 3i6i n THR 214 Cb 0.34 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 3i6i n THR 214 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i6i s LEU 215 N -1.10 4.34 -1.48 3.22 2.96 -1.20 -2.51 118.68 122.92 3i6i s LEU 215 Ca 0.22 2.32 -0.07 0.00 -0.22 0.00 0.00 54.13 56.38 3i6i s LEU 215 Cb 0.13 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.29 3i6i s LEU 215 CO 0.19 -0.87 0.79 0.59 -1.32 0.00 0.00 176.35 175.72 3i6i n ASN 216 N 6.16 -5.82 -4.33 3.68 3.02 0.14 -4.97 115.26 113.14 3i6i n ASN 216 Ca 0.16 -0.42 -0.21 0.00 -0.03 0.00 0.00 54.58 54.08 3i6i n ASN 216 Cb 0.42 -4.67 -0.11 0.00 -0.61 0.00 0.00 39.78 34.81 3i6i n ASN 216 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3i6i s LYS 217 N -6.00 1.28 -0.16 3.52 -0.14 -1.04 -4.95 119.74 112.25 3i6i s LYS 217 Ca 0.43 -1.44 -0.20 0.00 -1.36 0.00 0.00 55.97 53.40 3i6i s LYS 217 Cb -0.20 -1.27 -0.03 0.00 -1.68 0.00 0.00 37.83 34.65 3i6i s LYS 217 CO 0.53 0.25 0.58 -1.12 -0.76 0.00 0.00 175.35 174.83 3i6i s SER 218 N -2.80 6.71 -0.31 2.83 0.01 -0.62 -1.64 113.70 117.88 3i6i s SER 218 Ca 0.17 0.86 -0.09 0.00 1.31 0.00 0.00 55.95 58.19 3i6i s SER 218 Cb -0.05 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 3i6i s SER 218 CO 0.07 -0.16 0.14 -0.69 0.41 0.00 0.00 173.24 173.01 3i6i s VAL 219 N 1.37 4.52 -0.15 3.43 1.01 0.73 -1.02 120.40 130.29 3i6i s VAL 219 Ca 0.29 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 3i6i s VAL 219 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3i6i s VAL 219 CO 0.11 0.07 0.10 -1.00 0.00 0.00 0.00 175.10 174.38 3i6i s HIS 220 N 1.60 3.40 -0.49 5.22 3.76 0.09 -0.02 115.29 128.85 3i6i s HIS 220 Ca 0.04 0.31 -0.16 0.00 -0.15 0.00 0.00 55.06 55.10 3i6i s HIS 220 Cb -0.17 -2.02 0.08 0.00 1.11 0.00 0.00 32.58 31.58 3i6i s HIS 220 CO 0.06 0.43 0.44 -0.06 -0.85 0.00 0.00 174.74 174.75 3i6i s PHE 221 N -0.25 3.23 -0.52 1.40 0.40 -0.83 -1.28 117.98 120.12 3i6i s PHE 221 Ca 0.10 -0.96 0.07 0.00 -0.60 0.00 0.00 56.93 55.53 3i6i s PHE 221 Cb -0.12 -3.33 0.33 0.00 0.51 0.00 0.00 43.02 40.42 3i6i s PHE 221 CO 0.01 -0.86 0.86 0.54 0.70 0.00 0.00 175.22 176.46 3i6i n ARG 222 N 5.31 2.47 -1.81 0.44 1.74 -1.26 -4.71 116.66 118.84 3i6i n ARG 222 Ca -0.12 -4.38 -0.43 0.00 -0.77 0.00 0.00 57.85 52.15 3i6i n ARG 222 Cb 0.43 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 3i6i n ARG 222 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i6i s PRO 223 N -3.03 3.68 0.47 5.56 0.04 -1.26 -4.86 135.00 135.59 3i6i s PRO 223 Ca 0.45 2.07 0.13 0.00 0.04 0.00 0.00 61.00 63.70 3i6i s PRO 223 Cb 0.29 -4.19 1.10 0.00 0.04 0.00 0.00 34.50 31.74 3i6i s PRO 223 CO -0.11 -1.46 2.08 0.66 0.04 0.00 0.00 177.00 178.21 3i6i h SER 224 N 12.11 0.22 0.99 6.66 4.64 -1.98 -1.46 113.55 134.74 3i6i h SER 224 Ca -0.41 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3i6i h SER 224 Cb 1.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3i6i h SER 224 CO 0.97 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 177.08 3i6i n ASN 226 N -1.52 3.29 -4.40 0.00 4.13 -0.56 -4.83 115.26 111.37 3i6i n ASN 226 Ca 0.07 -3.14 -0.44 0.00 1.68 0.00 0.00 54.58 52.75 3i6i n ASN 226 Cb 0.34 -0.53 -0.04 0.00 -1.54 0.00 0.00 39.78 38.01 3i6i n ASN 226 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i6i s LEU 228 N 2.91 2.09 0.67 0.00 1.43 -0.43 -4.89 118.68 120.46 3i6i s LEU 228 Ca 0.16 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3i6i s LEU 228 Cb -0.20 -0.66 0.08 0.00 0.03 0.00 0.00 46.19 45.44 3i6i s LEU 228 CO 0.05 0.11 0.95 0.54 0.23 0.00 0.00 176.35 178.23 3i6i s ASN 229 N -0.66 4.75 0.28 2.29 2.20 -1.26 -1.12 114.94 121.42 3i6i s ASN 229 Ca 0.04 0.10 0.10 0.00 -0.94 0.00 0.00 52.86 52.15 3i6i s ASN 229 Cb -0.06 -0.72 0.38 0.00 -2.00 0.00 0.00 41.25 38.84 3i6i s ASN 229 CO 0.00 -1.58 1.63 0.16 -2.94 0.00 0.00 177.10 174.36 3i6i h ILE 230 N -0.43 1.42 -0.77 0.54 -2.65 -1.72 -0.86 117.51 113.04 3i6i h ILE 230 Ca -0.42 -2.03 0.00 0.00 1.03 0.00 0.00 64.86 63.45 3i6i h ILE 230 Cb 1.29 2.09 -0.04 0.00 -2.05 0.00 0.00 36.82 38.11 3i6i h ILE 230 CO 0.51 0.58 0.50 0.78 0.03 0.00 0.00 178.15 180.55 3i6i h ASN 231 N 0.02 0.90 -0.28 2.16 2.35 -1.87 -0.21 115.58 118.65 3i6i h ASN 231 Ca -0.01 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.54 3i6i h ASN 231 Cb 1.06 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 3i6i h ASN 231 CO 0.08 0.67 -0.50 -0.33 -1.65 0.00 0.00 177.43 175.70 3i6i h GLU 232 N 1.06 0.86 -0.40 0.81 5.08 -1.67 -1.89 114.58 118.43 3i6i h GLU 232 Ca 0.28 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3i6i h GLU 232 Cb -0.09 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3i6i h GLU 232 CO -0.06 1.15 0.19 1.25 -1.00 0.00 0.00 179.01 180.54 3i6i h LEU 233 N 0.67 0.52 -0.47 1.33 5.85 -0.88 -0.80 115.31 121.54 3i6i h LEU 233 Ca 0.03 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.70 3i6i h LEU 233 Cb 1.10 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 3i6i h LEU 233 CO 0.11 0.51 0.07 0.00 -0.34 0.00 0.00 178.44 178.80 3i6i h ALA 234 N 1.03 0.51 -0.62 1.25 0.00 -0.97 -2.31 119.26 118.16 3i6i h ALA 234 Ca 0.14 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3i6i h ALA 234 Cb 0.13 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3i6i h ALA 234 CO -0.02 -0.33 0.27 0.77 0.00 0.00 0.00 179.25 179.94 3i6i h SER 235 N 0.20 0.81 -0.88 0.00 0.02 -0.53 -1.12 113.55 112.05 3i6i h SER 235 Ca 0.24 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3i6i h SER 235 Cb 0.32 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 3i6i h SER 235 CO -0.32 0.71 0.57 0.58 -1.14 0.00 0.00 176.83 177.22 3i6i h VAL 236 N 0.88 1.23 -0.58 2.27 2.07 -0.76 -1.66 116.25 119.71 3i6i h VAL 236 Ca 0.21 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3i6i h VAL 236 Cb 0.14 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 3i6i h VAL 236 CO -0.02 0.23 -0.05 -0.25 0.02 0.00 0.00 177.57 177.50 3i6i h TRP 237 N 1.20 1.16 -0.93 1.57 2.91 -0.84 -2.43 115.95 118.60 3i6i h TRP 237 Ca 0.32 -0.22 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 3i6i h TRP 237 Cb -0.11 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 28.20 3i6i h TRP 237 CO -0.01 1.05 0.54 0.93 -1.03 0.00 0.00 178.44 179.91 3i6i h GLU 238 N 0.95 1.28 -0.71 2.65 5.08 -0.98 -0.16 114.58 122.69 3i6i h GLU 238 Ca 0.16 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3i6i h GLU 238 Cb 0.61 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3i6i h GLU 238 CO 0.04 0.91 0.45 0.87 -1.00 0.00 0.00 179.01 180.28 3i6i h LYS 239 N 1.29 0.86 -0.27 2.33 6.56 -1.08 0.94 116.57 127.20 3i6i h LYS 239 Ca 0.33 -0.05 -0.13 0.00 -1.06 0.00 0.00 60.65 59.74 3i6i h LYS 239 Cb -0.02 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.44 3i6i h LYS 239 CO -0.06 0.57 -0.37 0.87 -2.06 0.00 0.00 179.45 178.41 3i6i h LYS 240 N 0.89 0.61 -0.00 3.15 1.79 -0.75 -3.03 116.57 119.21 3i6i h LYS 240 Ca 0.28 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3i6i h LYS 240 Cb 0.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3i6i h LYS 240 CO -0.10 0.88 -0.43 0.44 -1.08 0.00 0.00 179.45 179.16 3i6i n ILE 241 N -4.05 0.00 -1.61 1.86 -5.35 -0.19 -4.96 119.36 105.06 3i6i n ILE 241 Ca -0.01 -0.08 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 3i6i n ILE 241 Cb 0.50 0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 38.83 3i6i n ILE 241 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i6i n GLY 242 N 1.42 0.80 3.36 3.28 0.00 0.30 -4.99 105.19 109.36 3i6i n GLY 242 Ca 0.09 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3i6i n GLY 242 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i6i s ARG 243 N -3.46 0.97 0.27 1.61 1.70 -1.09 -5.04 118.95 113.90 3i6i s ARG 243 Ca 0.00 -0.26 -0.08 0.00 -0.47 0.00 0.00 55.73 54.92 3i6i s ARG 243 Cb 0.00 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 3i6i s ARG 243 CO 0.00 -0.34 0.58 0.95 -1.08 0.00 0.00 175.30 175.42 3i6i s THR 244 N -2.33 4.93 0.21 4.99 -4.23 -1.26 -4.51 115.64 113.45 3i6i s THR 244 Ca -0.06 0.38 0.11 0.00 -1.18 0.00 0.00 61.69 60.93 3i6i s THR 244 Cb -0.01 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 3i6i s THR 244 CO -0.01 -0.20 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.94 3i6i s LEU 245 N -3.17 2.70 0.60 4.79 1.43 -1.26 -5.13 118.68 118.64 3i6i s LEU 245 Ca 0.47 -0.78 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 3i6i s LEU 245 Cb -0.11 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3i6i s LEU 245 CO 0.25 0.09 1.28 -2.65 0.23 0.00 0.00 176.35 175.55 3i6i n PRO 246 N -0.07 1.34 -4.84 1.29 -0.02 -1.26 -4.78 135.00 126.65 3i6i n PRO 246 Ca -0.10 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 3i6i n PRO 246 Cb 0.57 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 3i6i n PRO 246 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i6i s ARG 247 N -3.07 2.96 0.10 -0.52 0.52 -1.26 -1.08 118.95 116.59 3i6i s ARG 247 Ca 0.77 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 55.36 3i6i s ARG 247 Cb -0.40 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 3i6i s ARG 247 CO 0.45 0.41 -0.19 0.14 0.02 0.00 0.00 175.30 176.14 3i6i s VAL 248 N -0.17 1.55 -0.04 3.52 -7.23 -0.21 -4.96 120.40 112.85 3i6i s VAL 248 Ca -0.00 -1.52 -0.20 0.00 -1.81 0.00 0.00 61.98 58.45 3i6i s VAL 248 Cb -0.13 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 3i6i s VAL 248 CO 0.03 -0.14 0.56 -0.89 -0.31 0.00 0.00 175.10 174.36 3i6i s THR 249 N -1.30 5.01 -0.27 5.32 2.01 -1.26 -0.72 115.64 124.43 3i6i s THR 249 Ca 0.05 1.16 -0.07 0.00 0.31 0.00 0.00 61.69 63.14 3i6i s THR 249 Cb -0.09 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 3i6i s THR 249 CO 0.04 0.38 0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 3i6i s VAL 250 N 0.09 4.15 0.73 3.82 1.01 0.75 -4.86 120.40 126.09 3i6i s VAL 250 Ca 0.30 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 3i6i s VAL 250 Cb -0.17 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.21 3i6i s VAL 250 CO 0.15 0.23 1.09 0.42 0.00 0.00 0.00 175.10 176.99 3i6i s THR 251 N 1.56 3.44 0.23 3.92 -4.23 -1.26 -0.46 115.64 118.84 3i6i s THR 251 Ca 0.05 0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 60.96 3i6i s THR 251 Cb -0.16 -3.38 0.18 0.00 1.34 0.00 0.00 72.50 70.48 3i6i s THR 251 CO 0.03 -0.61 1.79 -0.08 -0.54 0.00 0.00 174.62 175.21 3i6i h GLU 252 N -0.77 0.64 -0.18 3.99 4.81 -1.96 -2.43 114.58 118.68 3i6i h GLU 252 Ca -0.45 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.64 3i6i h GLU 252 Cb 1.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3i6i h GLU 252 CO 0.62 0.42 -0.32 -0.44 -0.73 0.00 0.00 179.01 178.56 3i6i h ASP 253 N 0.66 0.37 -0.33 1.04 5.19 -1.98 -0.51 116.42 120.86 3i6i h ASP 253 Ca 0.35 -0.14 0.06 0.00 -0.62 0.00 0.00 57.03 56.69 3i6i h ASP 253 Cb 0.33 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 39.68 3i6i h ASP 253 CO -0.25 0.68 -0.05 0.44 -3.12 0.00 0.00 179.24 176.94 3i6i h ASP 254 N 0.32 -0.24 -0.40 6.45 3.32 -1.82 0.97 116.42 125.02 3i6i h ASP 254 Ca 0.04 0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 3i6i h ASP 254 Cb 0.73 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3i6i h ASP 254 CO 0.06 -0.08 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.15 3i6i h LEU 255 N 0.03 0.95 -0.89 1.55 3.38 -1.05 -2.20 115.31 117.08 3i6i h LEU 255 Ca 0.16 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3i6i h LEU 255 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3i6i h LEU 255 CO -0.31 1.16 0.01 -0.07 0.09 0.00 0.00 178.44 179.31 3i6i h LEU 256 N 0.78 0.80 -0.43 1.67 3.38 -0.90 -0.64 115.31 119.97 3i6i h LEU 256 Ca 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3i6i h LEU 256 Cb 0.84 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3i6i h LEU 256 CO 0.07 0.86 0.26 0.00 0.09 0.00 0.00 178.44 179.72 3i6i h ALA 257 N 1.23 0.54 -0.33 1.53 0.00 -0.58 -0.26 119.26 121.41 3i6i h ALA 257 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i6i h ALA 257 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3i6i h ALA 257 CO 0.02 0.03 0.09 0.00 0.00 0.00 0.00 179.25 179.39 3i6i h ALA 258 N 1.12 0.43 -1.01 0.00 0.00 -1.03 -2.56 119.26 116.21 3i6i h ALA 258 Ca 0.15 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3i6i h ALA 258 Cb -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3i6i h ALA 258 CO -0.03 0.07 0.66 0.00 0.00 0.00 0.00 179.25 179.95 3i6i h ALA 259 N 0.93 1.33 0.00 0.00 0.00 -0.96 -2.81 119.26 117.75 3i6i h ALA 259 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i6i h ALA 259 Cb 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3i6i h ALA 259 CO -0.00 0.56 0.00 0.78 0.00 0.00 0.00 179.25 180.59 3i6i h GLY 260 N 1.28 0.00 2.00 0.00 0.00 -0.63 -2.59 103.07 103.13 3i6i h GLY 260 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3i6i h GLY 260 CO -0.12 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.25 3i6i h GLU 261 N 0.00 0.00 -6.03 4.80 4.39 -1.33 -3.47 114.58 112.94 3i6i h GLU 261 Ca 0.00 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.27 3i6i h GLU 261 Cb 0.26 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.97 3i6i h GLU 261 CO 0.00 0.00 -0.73 0.09 -1.16 0.00 0.00 179.01 177.21 3i6i n ASN 262 N -2.50 -5.09 -4.57 1.42 3.02 -0.98 -4.96 115.26 101.60 3i6i n ASN 262 Ca 0.03 -0.66 -0.40 0.00 -0.03 0.00 0.00 54.58 53.52 3i6i n ASN 262 Cb 0.33 -4.53 -0.09 0.00 -0.61 0.00 0.00 39.78 34.88 3i6i n ASN 262 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i6i s ILE 263 N -3.34 5.16 -0.18 2.41 1.01 -1.26 -5.00 121.20 119.99 3i6i s ILE 263 Ca 0.53 0.28 -0.12 0.00 0.00 0.00 0.00 60.65 61.34 3i6i s ILE 263 Cb -0.25 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 3i6i s ILE 263 CO 0.77 -0.00 0.24 -0.63 0.00 0.00 0.00 174.94 175.32 3i6i s ILE 264 N 2.08 5.34 -2.42 2.92 -1.09 -1.26 -0.33 121.20 126.43 3i6i s ILE 264 Ca 0.14 0.42 0.24 0.00 -2.23 0.00 0.00 60.65 59.22 3i6i s ILE 264 Cb -0.16 -3.58 0.17 0.00 -1.58 0.00 0.00 42.46 37.32 3i6i s ILE 264 CO 0.11 0.39 1.30 -0.81 -1.23 0.00 0.00 174.94 174.71 3i6i n PRO 265 N 3.65 1.64 -0.24 2.79 -0.04 -1.26 -4.97 135.00 136.58 3i6i n PRO 265 Ca -0.13 -1.28 0.04 0.00 -0.04 0.00 0.00 63.50 62.09 3i6i n PRO 265 Cb 0.52 -1.47 0.16 0.00 -0.04 0.00 0.00 33.50 32.66 3i6i n PRO 265 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3i6i h GLN 266 N 3.12 0.22 0.00 0.54 7.50 -1.74 -0.55 115.11 124.19 3i6i h GLN 266 Ca 0.00 -0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.05 3i6i h GLN 266 Cb 0.78 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.25 3i6i h GLN 266 CO 0.00 0.14 -0.39 0.77 -1.50 0.00 0.00 178.83 177.85 3i6i h SER 267 N 0.22 0.00 -0.20 1.46 0.02 -0.92 -1.27 113.55 112.87 3i6i h SER 267 Ca 0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 3i6i h SER 267 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3i6i h SER 267 CO -0.52 0.39 0.07 0.58 -1.14 0.00 0.00 176.83 176.22 3i6i h VAL 268 N 0.00 1.18 -0.86 2.27 2.07 -1.29 -1.39 116.25 118.22 3i6i h VAL 268 Ca -0.00 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3i6i h VAL 268 Cb 0.80 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3i6i h VAL 268 CO 0.05 0.17 0.43 0.58 0.02 0.00 0.00 177.57 178.82 3i6i h VAL 269 N 0.16 1.26 -0.44 2.57 2.07 -0.91 -1.40 116.25 119.56 3i6i h VAL 269 Ca 0.06 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.89 3i6i h VAL 269 Cb 0.20 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3i6i h VAL 269 CO -0.00 0.31 0.28 0.00 0.02 0.00 0.00 177.57 178.17 3i6i h ALA 270 N 1.25 0.56 -0.62 1.67 0.00 -0.87 -0.54 119.26 120.70 3i6i h ALA 270 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i6i h ALA 270 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3i6i h ALA 270 CO -0.04 -0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.59 3i6i h ALA 271 N 1.18 0.79 -0.18 0.00 0.00 -0.79 -1.50 119.26 118.75 3i6i h ALA 271 Ca 0.17 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3i6i h ALA 271 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i6i h ALA 271 CO -0.06 0.23 -0.48 0.74 0.00 0.00 0.00 179.25 179.68 3i6i h PHE 272 N 0.84 0.59 -0.41 0.00 0.04 -1.06 -1.79 116.94 115.15 3i6i h PHE 272 Ca 0.23 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 60.86 3i6i h PHE 272 Cb -0.09 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 3i6i h PHE 272 CO -0.03 0.87 0.14 1.15 -0.60 0.00 0.00 178.31 179.84 3i6i h THR 273 N 0.38 0.86 -0.25 -1.55 2.02 -0.84 -0.98 112.91 112.55 3i6i h THR 273 Ca 0.02 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3i6i h THR 273 Cb 0.99 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3i6i h THR 273 CO 0.09 0.05 0.11 -0.74 0.37 0.00 0.00 175.52 175.40 3i6i h HIS 274 N 0.30 0.20 -0.50 3.16 -0.00 -1.12 0.37 115.15 117.56 3i6i h HIS 274 Ca 0.19 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.59 3i6i h HIS 274 Cb 0.19 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 3i6i h HIS 274 CO -0.16 0.10 0.31 0.22 -0.00 0.00 0.00 177.93 178.40 3i6i h ASP 275 N 0.24 0.51 0.33 3.26 3.58 -0.93 -0.50 116.42 122.91 3i6i h ASP 275 Ca 0.11 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 3i6i h ASP 275 Cb 0.05 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3i6i h ASP 275 CO -0.09 0.36 -0.16 0.40 -2.88 0.00 0.00 179.24 176.87 3i6i h ILE 276 N 0.62 0.49 0.00 2.25 2.04 -1.09 -1.17 117.51 120.65 3i6i h ILE 276 Ca 0.20 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3i6i h ILE 276 Cb -0.01 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3i6i h ILE 276 CO -0.08 0.11 -1.21 0.49 0.00 0.00 0.00 178.15 177.46 3i6i n PHE 277 N -5.10 0.26 -0.14 1.37 3.72 0.11 -2.31 117.46 115.38 3i6i n PHE 277 Ca -0.09 0.08 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 3i6i n PHE 277 Cb 0.26 -0.46 -0.10 0.00 -0.94 0.00 0.00 39.48 38.24 3i6i n PHE 277 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3i6i n ILE 278 N -2.04 1.53 1.02 4.37 2.08 -0.25 -4.59 119.36 121.48 3i6i n ILE 278 Ca 0.01 -0.39 0.11 0.00 0.56 0.00 0.00 62.75 63.04 3i6i n ILE 278 Cb 0.46 -1.85 0.03 0.00 -0.75 0.00 0.00 39.64 37.53 3i6i n ILE 278 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3i6i n LYS 279 N -4.17 0.38 -2.35 0.38 5.02 -0.84 -4.98 118.16 111.60 3i6i n LYS 279 Ca -0.53 -0.29 -0.08 0.00 -2.02 0.00 0.00 58.31 55.39 3i6i n LYS 279 Cb 0.89 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.41 3i6i n LYS 279 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i6i n GLY 280 N 1.46 0.16 0.29 0.72 0.00 -0.78 -4.93 105.19 102.11 3i6i n GLY 280 Ca 0.06 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.71 3i6i n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6i h GLN 282 N 0.00 0.00 -0.00 0.00 4.20 -1.84 -3.38 115.11 114.08 3i6i h GLN 282 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i6i h GLN 282 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3i6i h GLN 282 CO 0.00 0.38 -0.07 1.33 -0.67 0.00 0.00 178.83 179.80 3i6i n VAL 283 N -3.15 0.00 0.08 -0.54 0.24 -0.88 -4.79 118.33 109.29 3i6i n VAL 283 Ca 0.01 -0.46 0.05 0.00 -2.04 0.00 0.00 64.34 61.90 3i6i n VAL 283 Cb 0.71 1.05 0.23 0.00 -1.47 0.00 0.00 33.84 34.36 3i6i n VAL 283 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3i6i n ASN 284 N -0.31 3.41 -4.04 -1.34 0.23 -0.93 -4.86 115.26 107.42 3i6i n ASN 284 Ca 0.02 -2.38 -0.10 0.00 -0.53 0.00 0.00 54.58 51.59 3i6i n ASN 284 Cb 0.09 -0.51 -0.11 0.00 -2.08 0.00 0.00 39.78 37.17 3i6i n ASN 284 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 3i6i s PHE 285 N -1.85 0.48 0.33 -2.53 -0.71 -1.26 -5.10 117.98 107.34 3i6i s PHE 285 Ca 0.32 -0.69 -0.23 0.00 -1.04 0.00 0.00 56.93 55.30 3i6i s PHE 285 Cb 0.22 -0.32 -0.10 0.00 -1.21 0.00 0.00 43.02 41.62 3i6i s PHE 285 CO 0.13 -0.20 0.89 0.45 -1.34 0.00 0.00 175.22 175.15 3i6i s SER 286 N -1.98 7.14 -0.16 1.98 0.15 -1.26 -4.99 113.70 114.57 3i6i s SER 286 Ca -0.07 1.67 0.16 0.00 0.70 0.00 0.00 55.95 58.42 3i6i s SER 286 Cb -0.04 -2.52 0.49 0.00 -1.71 0.00 0.00 66.02 62.24 3i6i s SER 286 CO -0.03 -0.14 1.39 2.30 1.20 0.00 0.00 173.24 177.96 3i6i n ILE 287 N 0.20 2.15 0.81 6.45 -5.35 -1.26 -4.65 119.36 117.70 3i6i n ILE 287 Ca 0.03 -1.83 0.12 0.00 -0.27 0.00 0.00 62.75 60.80 3i6i n ILE 287 Cb 0.52 -0.19 0.52 0.00 -1.74 0.00 0.00 39.64 38.74 3i6i n ILE 287 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3i6i n ASP 288 N -0.48 0.14 -4.81 7.28 9.92 -1.26 -4.54 116.55 122.80 3i6i n ASP 288 Ca 0.20 0.52 -0.30 0.00 -0.53 0.00 0.00 54.79 54.68 3i6i n ASP 288 Cb 0.84 -0.56 0.10 0.00 -0.64 0.00 0.00 41.12 40.86 3i6i n ASP 288 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3i6i s GLY 289 N -3.11 1.61 0.21 0.44 0.00 -1.26 -4.97 107.32 100.25 3i6i s GLY 289 Ca 0.11 -0.30 0.23 0.00 0.00 0.00 0.00 44.72 44.76 3i6i s GLY 289 CO 0.47 0.16 1.69 -1.55 0.00 0.00 0.00 173.10 173.87 3i6i n PRO 290 N -3.49 0.17 -0.08 2.90 -0.04 -1.26 -2.55 135.00 130.65 3i6i n PRO 290 Ca 0.07 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 3i6i n PRO 290 Cb 0.57 -1.81 0.13 0.00 -0.04 0.00 0.00 33.50 32.36 3i6i n PRO 290 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i6i n GLU 291 N -2.13 2.08 -5.24 0.54 1.02 -1.26 -4.94 120.64 110.70 3i6i n GLU 291 Ca 0.03 -1.92 -0.32 0.00 -0.02 0.00 0.00 57.16 54.93 3i6i n GLU 291 Cb 0.25 -1.42 -0.16 0.00 -0.02 0.00 0.00 31.44 30.09 3i6i n GLU 291 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i6i s ASP 292 N -1.53 3.12 0.20 1.62 1.01 -1.06 -1.59 116.67 118.44 3i6i s ASP 292 Ca 0.29 -0.50 0.06 0.00 0.71 0.00 0.00 52.55 53.10 3i6i s ASP 292 Cb 0.18 -0.91 -0.05 0.00 1.01 0.00 0.00 42.92 43.15 3i6i s ASP 292 CO 0.26 0.24 -0.10 0.68 0.21 0.00 0.00 175.17 176.46 3i6i s VAL 293 N -0.12 1.44 -0.07 -1.27 -7.23 -0.18 -4.67 120.40 108.30 3i6i s VAL 293 Ca -0.05 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.04 3i6i s VAL 293 Cb -0.14 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 3i6i s VAL 293 CO 0.04 -0.58 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.34 3i6i s GLU 294 N -3.72 2.38 0.19 4.82 -6.30 -1.26 -0.73 118.70 114.08 3i6i s GLU 294 Ca 0.22 -0.74 -0.13 0.00 -2.50 0.00 0.00 54.97 51.82 3i6i s GLU 294 Cb 0.02 -1.92 0.20 0.00 0.00 0.00 0.00 34.13 32.42 3i6i s GLU 294 CO 0.05 0.22 1.70 -0.39 0.02 0.00 0.00 175.26 176.86 3i6i h VAL 295 N 5.49 0.65 0.00 3.70 -1.51 -1.55 -1.51 116.25 121.52 3i6i h VAL 295 Ca -0.27 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.11 3i6i h VAL 295 Cb 1.20 0.47 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3i6i h VAL 295 CO 0.47 0.03 -0.15 0.71 -1.23 0.00 0.00 177.57 177.41 3i6i h THR 296 N 0.17 0.63 0.00 7.19 1.35 -1.86 -1.03 112.91 119.35 3i6i h THR 296 Ca 0.26 -0.63 -0.16 0.00 -0.55 0.00 0.00 66.41 65.32 3i6i h THR 296 Cb 0.37 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 3i6i h THR 296 CO -0.38 0.14 -1.21 0.71 -0.25 0.00 0.00 175.52 174.53 3i6i h THR 297 N 0.00 0.65 -0.75 6.82 1.35 -1.83 -3.27 112.91 115.88 3i6i h THR 297 Ca -0.00 -2.14 -0.05 0.00 -0.55 0.00 0.00 66.41 63.67 3i6i h THR 297 Cb 0.39 2.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 3i6i h THR 297 CO 0.02 0.37 0.27 -0.07 -0.25 0.00 0.00 175.52 175.85 3i6i h LEU 298 N 0.00 1.06 -6.12 3.87 3.38 -0.72 -3.37 115.31 113.41 3i6i h LEU 298 Ca -0.13 -0.19 -0.58 0.00 0.09 0.00 0.00 57.88 57.07 3i6i h LEU 298 Cb 1.57 -0.28 -0.41 0.00 0.09 0.00 0.00 40.66 41.64 3i6i h LEU 298 CO 0.06 0.96 -0.80 -1.22 0.09 0.00 0.00 178.44 177.53 3i6i n TYR 299 N -4.29 2.07 -1.70 1.13 4.01 -0.44 -5.10 117.16 112.84 3i6i n TYR 299 Ca 0.06 -3.92 -0.34 0.00 -0.16 0.00 0.00 57.90 53.54 3i6i n TYR 299 Cb 0.21 -0.48 0.06 0.00 -0.31 0.00 0.00 39.34 38.82 3i6i n TYR 299 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3i6i s PRO 300 N -1.97 2.62 -1.44 -0.72 0.04 -1.23 -3.55 135.00 128.74 3i6i s PRO 300 Ca 0.38 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 3i6i s PRO 300 Cb 0.16 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.80 3i6i s PRO 300 CO -0.05 -1.42 0.98 0.39 0.04 0.00 0.00 177.00 176.94 3i6i n GLU 301 N -2.39 -6.77 -3.41 4.56 1.02 -1.26 -4.95 120.64 107.44 3i6i n GLU 301 Ca 0.12 0.83 -0.27 0.00 -0.02 0.00 0.00 57.16 57.82 3i6i n GLU 301 Cb 0.51 -5.81 -0.10 0.00 -0.02 0.00 0.00 31.44 26.01 3i6i n GLU 301 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i6i s ASP 302 N -3.11 1.64 0.38 1.62 -1.08 -1.23 -5.13 116.67 109.76 3i6i s ASP 302 Ca 0.50 -2.96 -0.27 0.00 -0.52 0.00 0.00 52.55 49.30 3i6i s ASP 302 Cb -0.23 -0.44 -0.10 0.00 -1.46 0.00 0.00 42.92 40.70 3i6i s ASP 302 CO 0.62 -0.19 1.41 -0.44 0.52 0.00 0.00 175.17 177.09 3i6i s SER 303 N 0.18 6.36 0.30 -0.34 0.01 -1.26 -5.00 113.70 113.94 3i6i s SER 303 Ca 0.31 2.88 -0.27 0.00 1.31 0.00 0.00 55.95 60.18 3i6i s SER 303 Cb 0.00 -2.66 -0.10 0.00 0.21 0.00 0.00 66.02 63.48 3i6i s SER 303 CO -0.17 -0.84 0.94 -0.36 0.41 0.00 0.00 173.24 173.22 3i6i s PHE 304 N -1.16 3.78 0.26 2.43 0.08 -1.26 -5.03 117.98 117.07 3i6i s PHE 304 Ca 0.54 1.82 -0.31 0.00 0.12 0.00 0.00 56.93 59.10 3i6i s PHE 304 Cb -0.43 -2.93 -0.13 0.00 -0.57 0.00 0.00 43.02 38.96 3i6i s PHE 304 CO 0.57 0.28 1.52 0.54 -0.10 0.00 0.00 175.22 178.04 3i6i n ARG 305 N 0.82 2.39 -1.94 0.44 1.74 -1.26 -4.99 116.66 113.86 3i6i n ARG 305 Ca 0.01 0.85 -0.30 0.00 -0.77 0.00 0.00 57.85 57.64 3i6i n ARG 305 Cb 0.49 -2.58 0.03 0.00 -1.02 0.00 0.00 32.46 29.38 3i6i n ARG 305 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i6i s THR 306 N 0.10 3.95 0.19 0.55 -4.23 -1.26 -4.61 115.64 110.32 3i6i s THR 306 Ca 0.67 0.58 -0.10 0.00 -1.18 0.00 0.00 61.69 61.66 3i6i s THR 306 Cb -0.57 -3.62 0.10 0.00 1.34 0.00 0.00 72.50 69.75 3i6i s THR 306 CO 0.47 -0.80 1.72 0.58 -0.54 0.00 0.00 174.62 176.05 3i6i h VAL 307 N -0.48 1.25 -0.53 2.29 2.07 -1.90 -1.01 116.25 117.94 3i6i h VAL 307 Ca -0.45 -0.86 0.11 0.00 0.82 0.00 0.00 66.70 66.32 3i6i h VAL 307 Cb 1.23 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 3i6i h VAL 307 CO 0.63 0.33 -0.04 -0.33 0.02 0.00 0.00 177.57 178.18 3i6i h GLU 308 N 0.96 0.07 -0.07 1.57 3.07 -1.95 0.42 114.58 118.67 3i6i h GLU 308 Ca 0.21 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3i6i h GLU 308 Cb 0.29 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3i6i h GLU 308 CO -0.01 0.05 0.04 0.93 -1.40 0.00 0.00 179.01 178.62 3i6i h GLU 309 N 0.08 0.09 -0.36 2.33 5.08 -1.77 -0.42 114.58 119.61 3i6i h GLU 309 Ca 0.26 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 3i6i h GLU 309 Cb 0.41 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3i6i h GLU 309 CO -0.48 0.10 0.10 0.00 -1.00 0.00 0.00 179.01 177.74 3i6i h PHE 311 N 0.24 0.43 -0.98 0.00 -1.00 -0.04 -2.34 116.94 113.26 3i6i h PHE 311 Ca 0.17 -0.03 0.17 0.00 2.81 0.00 0.00 57.97 61.09 3i6i h PHE 311 Cb 0.16 -0.13 -0.10 0.00 3.61 0.00 0.00 35.95 39.49 3i6i h PHE 311 CO -0.16 0.44 0.59 0.78 -1.61 0.00 0.00 178.31 178.35 3i6i h GLY 312 N 0.74 1.71 2.00 -1.45 0.00 -0.22 -1.45 103.07 104.40 3i6i h GLY 312 Ca 0.09 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 3i6i h GLY 312 CO 0.01 -0.03 -0.67 1.05 0.00 0.00 0.00 176.54 176.90 3i6i h GLU 313 N 0.78 0.00 -0.78 4.80 4.11 -1.24 -2.57 114.58 119.68 3i6i h GLU 313 Ca 0.55 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.97 3i6i h GLU 313 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 3i6i h GLU 313 CO -0.36 0.67 0.45 1.88 0.07 0.00 0.00 179.01 181.71 3i6i h TYR 314 N 0.00 1.05 -0.48 2.06 0.05 -1.27 -2.62 116.97 115.76 3i6i h TYR 314 Ca -0.01 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3i6i h TYR 314 Cb 1.50 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 3i6i h TYR 314 CO 0.00 0.71 0.29 0.82 -1.05 0.00 0.00 178.16 178.94 3i6i h ILE 315 N 1.09 1.14 -0.06 -2.88 5.03 -1.15 -3.16 117.51 117.51 3i6i h ILE 315 Ca 0.28 -0.31 -0.70 0.00 -0.12 0.00 0.00 64.86 64.00 3i6i h ILE 315 Cb -0.01 0.49 -0.04 0.00 -3.03 0.00 0.00 36.82 34.23 3i6i h ILE 315 CO -0.05 0.14 3.03 0.52 -0.68 0.00 0.00 178.15 181.12 3i6i n VAL 316 N -4.72 3.41 -1.01 1.67 0.31 -0.98 -5.12 118.33 111.90 3i6i n VAL 316 Ca 0.02 -3.03 0.00 0.00 -0.01 0.00 0.00 64.34 61.32 3i6i n VAL 316 Cb 0.05 -2.58 0.00 0.00 -0.91 0.00 0.00 33.84 30.40 3i6i n VAL 316 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80