#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5m s ARG 12 N 0.00 4.62 -0.23 1.61 0.52 -1.26 -4.40 118.95 119.80 3i5m s ARG 12 Ca 0.00 1.42 -0.06 0.00 -0.52 0.00 0.00 55.73 56.57 3i5m s ARG 12 Cb 0.00 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.03 3i5m s ARG 12 CO 0.00 0.08 0.03 0.08 0.02 0.00 0.00 175.30 175.51 3i5m s VAL 13 N 0.51 4.00 -0.11 3.52 1.01 0.18 -0.62 120.40 128.89 3i5m s VAL 13 Ca 0.49 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 3i5m s VAL 13 Cb -0.22 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3i5m s VAL 13 CO 0.29 0.38 0.33 -0.22 0.00 0.00 0.00 175.10 175.87 3i5m s LEU 14 N 1.48 4.33 -0.12 3.92 2.96 0.11 -0.19 118.68 131.16 3i5m s LEU 14 Ca 0.06 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 3i5m s LEU 14 Cb -0.15 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.12 3i5m s LEU 14 CO 0.01 0.18 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.45 3i5m s ILE 15 N -0.10 1.52 -0.07 6.68 1.01 -0.47 0.12 121.20 129.88 3i5m s ILE 15 Ca 0.20 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 3i5m s ILE 15 Cb -0.14 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 3i5m s ILE 15 CO 0.07 0.45 0.09 0.00 0.00 0.00 0.00 174.94 175.55 3i5m s ALA 16 N 1.19 3.64 -0.22 9.38 0.00 -0.15 -1.32 121.76 134.28 3i5m s ALA 16 Ca -0.02 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 3i5m s ALA 16 Cb -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.26 3i5m s ALA 16 CO -0.05 0.64 0.04 0.41 0.00 0.00 0.00 175.76 176.80 3i5m n GLY 17 N 1.71 0.38 0.00 0.00 0.00 -1.26 -0.22 105.19 105.80 3i5m n GLY 17 Ca -0.17 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.27 3i5m n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5m n ALA 18 N -1.55 2.45 1.05 4.61 0.00 -1.26 -1.92 120.51 123.89 3i5m n ALA 18 Ca -0.02 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.38 3i5m n ALA 18 Cb 0.52 -1.45 0.10 0.00 0.00 0.00 0.00 19.45 18.62 3i5m n ALA 18 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i5m n THR 19 N -1.14 0.00 -0.86 0.00 -2.24 -1.26 -3.03 114.28 105.74 3i5m n THR 19 Ca 0.17 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 3i5m n THR 19 Cb 0.16 0.77 0.21 0.00 -2.10 0.00 0.00 70.33 69.36 3i5m n THR 19 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i5m s GLY 20 N -2.76 1.57 0.10 3.38 0.00 -0.81 -4.78 107.32 104.02 3i5m s GLY 20 Ca 0.15 -0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.42 3i5m s GLY 20 CO 0.68 0.47 1.65 -2.75 0.00 0.00 0.00 173.10 173.15 3i5m h PHE 21 N -2.19 -0.63 -0.03 1.90 3.57 -1.92 -2.06 116.94 115.57 3i5m h PHE 21 Ca -0.57 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 60.93 3i5m h PHE 21 Cb 1.32 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 3i5m h PHE 21 CO 0.31 -0.35 -0.01 0.82 -2.23 0.00 0.00 178.31 176.84 3i5m h ILE 22 N -0.50 1.33 -1.03 1.41 1.08 -1.89 -3.31 117.51 114.59 3i5m h ILE 22 Ca 0.00 -1.00 0.26 0.00 -0.39 0.00 0.00 64.86 63.73 3i5m h ILE 22 Cb 0.47 1.94 -0.10 0.00 -3.07 0.00 0.00 36.82 36.06 3i5m h ILE 22 CO -0.06 0.27 0.65 1.23 -0.69 0.00 0.00 178.15 179.54 3i5m h GLY 23 N -0.33 1.40 1.32 5.37 0.00 -1.65 0.13 103.07 109.30 3i5m h GLY 23 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3i5m h GLY 23 CO 0.00 -0.15 0.39 1.46 0.00 0.00 0.00 176.54 178.24 3i5m h GLN 24 N 0.46 0.90 -0.17 4.80 4.20 -1.28 -2.25 115.11 121.77 3i5m h GLN 24 Ca 0.60 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 59.03 3i5m h GLN 24 Cb 1.40 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3i5m h GLN 24 CO -0.34 0.64 -0.68 0.74 -0.67 0.00 0.00 178.83 178.53 3i5m h PHE 25 N 0.92 0.90 -0.03 2.96 0.04 -0.89 -3.09 116.94 117.75 3i5m h PHE 25 Ca 0.24 -0.37 -0.07 0.00 2.80 0.00 0.00 57.97 60.58 3i5m h PHE 25 Cb -0.02 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 37.99 3i5m h PHE 25 CO 0.00 1.16 -0.24 0.28 -0.60 0.00 0.00 178.31 178.91 3i5m h VAL 26 N 0.49 1.49 -0.56 -0.55 2.07 -1.43 -2.78 116.25 114.98 3i5m h VAL 26 Ca -0.02 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 65.70 3i5m h VAL 26 Cb 1.28 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 3i5m h VAL 26 CO 0.13 0.50 0.37 0.00 0.02 0.00 0.00 177.57 178.60 3i5m h ALA 27 N 0.34 0.72 -0.45 1.67 0.00 -1.53 -0.48 119.26 119.53 3i5m h ALA 27 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i5m h ALA 27 Cb 0.94 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3i5m h ALA 27 CO 0.05 0.15 0.25 1.15 0.00 0.00 0.00 179.25 180.85 3i5m h THR 28 N 0.76 1.15 -0.56 0.00 2.02 -1.62 -0.78 112.91 113.88 3i5m h THR 28 Ca 0.21 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 67.06 3i5m h THR 28 Cb -0.08 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 3i5m h THR 28 CO -0.05 0.16 0.29 0.00 0.37 0.00 0.00 175.52 176.29 3i5m h ALA 29 N 1.10 0.73 -0.24 6.16 0.00 -1.21 0.50 119.26 126.30 3i5m h ALA 29 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i5m h ALA 29 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i5m h ALA 29 CO -0.03 -0.05 0.15 1.03 0.00 0.00 0.00 179.25 180.35 3i5m h SER 30 N 0.55 0.28 -0.75 0.00 0.87 -0.75 0.28 113.55 114.03 3i5m h SER 30 Ca 0.25 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 3i5m h SER 30 Cb 0.16 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3i5m h SER 30 CO -0.17 0.22 0.29 -0.07 -0.53 0.00 0.00 176.83 176.57 3i5m h LEU 31 N 0.31 1.04 -1.11 2.23 3.38 -0.73 -2.40 115.31 118.03 3i5m h LEU 31 Ca 0.09 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3i5m h LEU 31 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3i5m h LEU 31 CO -0.02 0.93 -0.20 0.44 0.09 0.00 0.00 178.44 179.69 3i5m h ASP 32 N 1.08 0.38 0.00 -0.43 3.32 0.30 -1.03 116.42 120.05 3i5m h ASP 32 Ca 0.25 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3i5m h ASP 32 Cb 0.22 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3i5m h ASP 32 CO -0.02 0.60 0.00 0.00 -1.72 0.00 0.00 179.24 178.10 3i5m n ALA 33 N -2.48 2.15 -3.00 3.45 0.00 0.96 -4.87 120.51 116.72 3i5m n ALA 33 Ca -0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 3i5m n ALA 33 Cb 0.35 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 3i5m n ALA 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i5m n HIS 34 N -0.59 -1.69 -2.71 0.00 8.25 -0.39 -4.97 115.22 113.12 3i5m n HIS 34 Ca 0.03 0.24 -0.33 0.00 -0.26 0.00 0.00 57.72 57.40 3i5m n HIS 34 Cb 0.01 -2.25 -0.06 0.00 1.12 0.00 0.00 29.99 28.82 3i5m n HIS 34 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3i5m s ARG 35 N -5.60 4.14 -0.18 -0.41 0.52 -0.95 -5.04 118.95 111.43 3i5m s ARG 35 Ca 0.23 1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 56.24 3i5m s ARG 35 Cb -0.13 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 3i5m s ARG 35 CO 0.28 -0.11 1.31 -2.14 0.02 0.00 0.00 175.30 174.66 3i5m s PRO 36 N -3.39 4.16 -0.12 3.54 0.02 -1.26 -4.56 135.00 133.38 3i5m s PRO 36 Ca 0.62 1.63 0.02 0.00 0.02 0.00 0.00 61.00 63.28 3i5m s PRO 36 Cb -0.10 -3.81 0.01 0.00 0.02 0.00 0.00 34.50 30.63 3i5m s PRO 36 CO 0.18 -0.81 -0.17 0.99 -0.33 0.00 0.00 177.00 176.85 3i5m s THR 37 N 3.76 1.67 -0.12 0.99 2.01 -1.26 -0.65 115.64 122.04 3i5m s THR 37 Ca 0.57 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 3i5m s THR 37 Cb -0.22 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 3i5m s THR 37 CO 0.18 0.47 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.19 3i5m s TYR 38 N 0.96 2.92 -0.23 4.92 2.02 0.73 -1.12 117.35 127.55 3i5m s TYR 38 Ca -0.06 -0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.26 3i5m s TYR 38 Cb -0.15 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3i5m s TYR 38 CO -0.02 0.01 0.01 0.42 -1.57 0.00 0.00 175.55 174.40 3i5m s ILE 39 N 0.01 3.85 -0.20 2.71 -1.09 1.00 -1.37 121.20 126.10 3i5m s ILE 39 Ca -0.01 -0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 3i5m s ILE 39 Cb -0.14 -2.77 -0.00 0.00 -1.58 0.00 0.00 42.46 37.97 3i5m s ILE 39 CO 0.03 0.39 1.16 -0.22 -1.23 0.00 0.00 174.94 175.07 3i5m s LEU 40 N 1.40 4.14 0.12 2.97 2.96 -0.44 -1.37 118.68 128.47 3i5m s LEU 40 Ca 0.05 1.54 0.10 0.00 -0.22 0.00 0.00 54.13 55.60 3i5m s LEU 40 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3i5m s LEU 40 CO 0.00 -0.72 -0.25 0.00 -1.32 0.00 0.00 176.35 174.06 3i5m s ALA 41 N 3.37 2.23 0.24 5.97 0.00 -0.04 -4.49 121.76 129.03 3i5m s ALA 41 Ca 0.50 -1.40 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 3i5m s ALA 41 Cb -0.18 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 3i5m s ALA 41 CO 0.11 0.49 0.95 0.50 0.00 0.00 0.00 175.76 177.81 3i5m s ARG 42 N -1.97 4.85 0.80 0.00 3.52 -1.26 -2.29 118.95 122.60 3i5m s ARG 42 Ca 0.12 1.50 -0.11 0.00 -0.13 0.00 0.00 55.73 57.11 3i5m s ARG 42 Cb -0.10 -3.27 0.07 0.00 -1.56 0.00 0.00 34.95 30.09 3i5m s ARG 42 CO 0.05 0.51 1.09 -1.25 -0.81 0.00 0.00 175.30 174.89 3i5m s PRO 43 N -1.20 2.05 0.00 5.12 0.04 -1.26 -4.92 135.00 134.84 3i5m s PRO 43 Ca 0.41 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3i5m s PRO 43 Cb -0.26 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3i5m s PRO 43 CO 0.32 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 176.07 3i5m n GLY 44 N -1.61 -1.03 3.63 0.56 0.00 -1.26 -5.00 105.19 100.48 3i5m n GLY 44 Ca 0.08 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 3i5m n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i5m n PRO 45 N -1.16 -0.47 -4.18 1.61 -0.01 -1.26 -5.04 135.00 124.48 3i5m n PRO 45 Ca 0.00 -0.08 -0.11 0.00 -0.01 0.00 0.00 63.50 63.30 3i5m n PRO 45 Cb 0.00 -2.30 -0.10 0.00 -0.01 0.00 0.00 33.50 31.09 3i5m n PRO 45 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 175.50 176.52 3i5m s ARG 46 N -4.48 0.86 0.91 -0.52 0.52 -1.26 -5.14 118.95 109.84 3i5m s ARG 46 Ca 0.65 -1.32 -0.11 0.00 -0.52 0.00 0.00 55.73 54.43 3i5m s ARG 46 Cb -0.23 -0.28 0.14 0.00 0.52 0.00 0.00 34.95 35.10 3i5m s ARG 46 CO 0.60 0.00 1.10 0.45 0.02 0.00 0.00 175.30 177.47 3i5m s SER 47 N -2.98 3.17 0.09 0.23 0.15 -1.26 -4.89 113.70 108.21 3i5m s SER 47 Ca 0.11 1.78 -0.19 0.00 0.70 0.00 0.00 55.95 58.35 3i5m s SER 47 Cb 0.04 -2.39 -0.08 0.00 -1.71 0.00 0.00 66.02 61.88 3i5m s SER 47 CO -0.04 -2.87 1.57 -0.65 1.20 0.00 0.00 173.24 172.45 3i5m h PRO 48 N -1.71 0.40 -0.33 5.44 0.11 -2.01 -2.52 132.00 131.38 3i5m h PRO 48 Ca -0.48 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 65.43 3i5m h PRO 48 Cb 1.27 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3i5m h PRO 48 CO 0.49 0.53 -0.19 0.66 -0.21 0.00 0.00 178.00 179.28 3i5m h SER 49 N 0.22 0.62 -0.91 -2.05 4.64 -2.00 -2.91 113.55 111.15 3i5m h SER 49 Ca 0.08 -0.20 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3i5m h SER 49 Cb 0.32 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.18 3i5m h SER 49 CO 0.00 0.81 0.59 0.11 -0.87 0.00 0.00 176.83 177.48 3i5m h LYS 50 N 0.55 1.10 -0.24 4.77 6.56 -1.94 -2.35 116.57 125.01 3i5m h LYS 50 Ca 0.09 -0.07 -0.11 0.00 -1.06 0.00 0.00 60.65 59.51 3i5m h LYS 50 Cb 0.64 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 3i5m h LYS 50 CO 0.05 0.72 -0.30 0.00 -2.06 0.00 0.00 179.45 177.86 3i5m h ALA 51 N 1.39 1.04 0.00 3.86 0.00 -1.33 -1.69 119.26 122.53 3i5m h ALA 51 Ca 0.37 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i5m h ALA 51 Cb 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i5m h ALA 51 CO -0.13 0.58 -0.15 1.57 0.00 0.00 0.00 179.25 181.12 3i5m h LYS 52 N 0.42 0.00 0.00 0.00 -0.00 -1.25 0.78 116.57 116.53 3i5m h LYS 52 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.64 3i5m h LYS 52 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.95 3i5m h LYS 52 CO 0.06 0.15 -0.43 0.82 -0.00 0.00 0.00 179.45 180.05 3i5m h ILE 53 N 0.00 0.91 -0.56 0.07 2.04 -1.13 -3.18 117.51 115.66 3i5m h ILE 53 Ca -0.00 -1.82 0.02 0.00 1.00 0.00 0.00 64.86 64.06 3i5m h ILE 53 Cb 0.47 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 3i5m h ILE 53 CO 0.02 0.31 0.37 -0.26 0.00 0.00 0.00 178.15 178.59 3i5m h PHE 54 N -1.00 0.66 0.50 1.37 0.04 -1.32 -0.48 116.94 116.70 3i5m h PHE 54 Ca -0.10 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 3i5m h PHE 54 Cb 0.81 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3i5m h PHE 54 CO 0.10 0.40 -0.24 0.87 -0.60 0.00 0.00 178.31 178.83 3i5m h LYS 55 N 0.69 -0.65 -0.21 1.51 1.79 -1.00 -2.07 116.57 116.63 3i5m h LYS 55 Ca 0.22 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 3i5m h LYS 55 Cb 0.02 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3i5m h LYS 55 CO -0.05 -0.43 0.09 0.00 -1.08 0.00 0.00 179.45 177.97 3i5m h ALA 56 N -0.16 0.27 0.05 3.86 0.00 -1.43 -2.50 119.26 119.35 3i5m h ALA 56 Ca -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3i5m h ALA 56 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3i5m h ALA 56 CO 0.11 -0.15 -0.12 -0.07 0.00 0.00 0.00 179.25 179.02 3i5m h LEU 57 N 0.19 -0.33 -0.65 0.00 3.38 -1.17 -1.74 115.31 114.99 3i5m h LEU 57 Ca 0.07 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.20 3i5m h LEU 57 Cb 0.16 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 3i5m h LEU 57 CO -0.01 -0.18 0.18 -0.33 0.09 0.00 0.00 178.44 178.20 3i5m h GLU 58 N -0.23 0.31 -0.42 1.13 3.07 -1.36 -0.04 114.58 117.04 3i5m h GLU 58 Ca 0.03 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3i5m h GLU 58 Cb 0.25 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3i5m h GLU 58 CO -0.08 0.21 0.20 -0.44 -1.40 0.00 0.00 179.01 177.49 3i5m h ASP 59 N 0.32 0.52 0.00 1.42 5.19 -1.22 -0.52 116.42 122.13 3i5m h ASP 59 Ca 0.35 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3i5m h ASP 59 Cb 0.52 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3i5m h ASP 59 CO -0.40 0.45 0.00 0.29 -3.12 0.00 0.00 179.24 176.46 3i5m n LYS 60 N -4.40 0.97 0.00 3.56 5.02 -0.11 -4.86 118.16 118.34 3i5m n LYS 60 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3i5m n LYS 60 Cb 0.12 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3i5m n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i5m n GLY 61 N 0.47 0.14 3.68 0.72 0.00 -0.21 -4.91 105.19 105.09 3i5m n GLY 61 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3i5m n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5m n ALA 62 N -1.93 1.10 -2.81 4.61 0.00 -0.73 -4.82 120.51 115.93 3i5m n ALA 62 Ca 0.00 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.48 3i5m n ALA 62 Cb 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.10 3i5m n ALA 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i5m s ILE 63 N -0.55 4.89 -0.26 0.00 1.01 -0.28 -4.41 121.20 121.61 3i5m s ILE 63 Ca 0.62 0.01 -0.15 0.00 0.00 0.00 0.00 60.65 61.13 3i5m s ILE 63 Cb -0.62 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3i5m s ILE 63 CO 0.56 0.42 0.38 -0.63 0.00 0.00 0.00 174.94 175.66 3i5m s ILE 64 N 0.64 5.18 0.03 2.92 1.01 -1.26 -0.00 121.20 129.72 3i5m s ILE 64 Ca 0.05 0.59 0.06 0.00 0.00 0.00 0.00 60.65 61.35 3i5m s ILE 64 Cb -0.13 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3i5m s ILE 64 CO 0.01 0.17 -0.14 0.68 0.00 0.00 0.00 174.94 175.66 3i5m s VAL 65 N 1.94 3.07 -0.23 2.92 -7.23 -0.47 -4.94 120.40 115.46 3i5m s VAL 65 Ca 0.16 -1.06 -0.07 0.00 -1.81 0.00 0.00 61.98 59.19 3i5m s VAL 65 Cb -0.16 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3i5m s VAL 65 CO 0.09 0.35 0.05 -0.31 -0.31 0.00 0.00 175.10 174.97 3i5m s TYR 66 N -0.96 3.09 0.10 2.82 2.02 -1.26 -0.86 117.35 122.30 3i5m s TYR 66 Ca 0.16 -0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 56.23 3i5m s TYR 66 Cb -0.11 -2.18 0.09 0.00 -0.40 0.00 0.00 41.96 39.36 3i5m s TYR 66 CO 0.06 -0.27 1.14 0.20 -1.57 0.00 0.00 175.55 175.11 3i5m s GLY 67 N 1.32 -0.06 0.02 0.71 0.00 -0.97 -4.95 107.32 103.40 3i5m s GLY 67 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 44.72 44.77 3i5m s GLY 67 CO 0.03 2.87 -0.17 1.08 0.00 0.00 0.00 173.10 176.90 3i5m s LEU 68 N -3.43 2.11 0.00 0.66 1.43 -1.26 -4.28 118.68 113.91 3i5m s LEU 68 Ca 0.22 -0.40 0.31 0.00 -1.03 0.00 0.00 54.13 53.22 3i5m s LEU 68 Cb -0.01 -0.83 1.61 0.00 0.03 0.00 0.00 46.19 46.99 3i5m s LEU 68 CO 0.02 0.15 2.09 2.30 0.23 0.00 0.00 176.35 181.14 3i5m n ILE 69 N 2.24 0.00 0.78 -0.59 -5.35 -1.26 -2.91 119.36 112.26 3i5m n ILE 69 Ca -0.16 -0.01 0.08 0.00 -0.27 0.00 0.00 62.75 62.40 3i5m n ILE 69 Cb 0.54 -0.47 -0.04 0.00 -1.74 0.00 0.00 39.64 37.93 3i5m n ILE 69 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3i5m n ASN 70 N -1.18 1.31 -4.42 7.28 6.94 -1.25 -1.95 115.26 122.00 3i5m n ASN 70 Ca 0.17 -1.15 -0.45 0.00 -0.02 0.00 0.00 54.58 53.13 3i5m n ASN 70 Cb 0.21 0.70 -0.03 0.00 -2.36 0.00 0.00 39.78 38.30 3i5m n ASN 70 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3i5m s GLU 71 N -2.25 3.50 0.15 -3.83 2.02 -1.15 -4.78 118.70 112.36 3i5m s GLU 71 Ca 0.11 -1.77 -0.23 0.00 0.02 0.00 0.00 54.97 53.09 3i5m s GLU 71 Cb 0.13 -4.69 0.04 0.00 0.10 0.00 0.00 34.13 29.71 3i5m s GLU 71 CO 0.54 -1.65 1.61 0.37 0.02 0.00 0.00 175.26 176.15 3i5m h GLN 72 N 8.73 -0.27 -0.54 1.61 4.15 -1.84 -2.21 115.11 124.74 3i5m h GLN 72 Ca 0.06 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.60 3i5m h GLN 72 Cb 1.04 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.71 3i5m h GLN 72 CO 1.04 -0.18 0.08 0.93 -1.93 0.00 0.00 178.83 178.77 3i5m h GLU 73 N -0.28 0.20 -0.81 1.69 5.08 -1.92 -1.82 114.58 116.72 3i5m h GLU 73 Ca 0.15 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3i5m h GLU 73 Cb 0.51 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 3i5m h GLU 73 CO -0.45 0.13 0.49 0.00 -1.00 0.00 0.00 179.01 178.18 3i5m h ALA 74 N 1.45 1.13 -0.17 3.43 0.00 -1.75 -2.15 119.26 121.20 3i5m h ALA 74 Ca 0.28 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3i5m h ALA 74 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i5m h ALA 74 CO -0.39 0.18 -0.30 0.52 0.00 0.00 0.00 179.25 179.26 3i5m h MET 75 N 0.86 0.33 0.40 0.00 2.07 -1.09 -1.24 114.93 116.27 3i5m h MET 75 Ca 0.37 -0.13 -0.02 0.00 -2.07 0.00 0.00 59.70 57.85 3i5m h MET 75 Cb 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 3i5m h MET 75 CO -0.20 0.60 -0.19 0.93 1.07 0.00 0.00 176.91 179.12 3i5m h GLU 76 N 0.29 -0.51 -0.83 1.72 5.08 -0.76 0.01 114.58 119.59 3i5m h GLU 76 Ca 0.04 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.57 3i5m h GLU 76 Cb 0.68 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 3i5m h GLU 76 CO 0.05 -0.27 0.54 0.87 -1.00 0.00 0.00 179.01 179.20 3i5m h LYS 77 N -0.67 0.61 -0.05 2.33 6.56 -1.34 -0.48 116.57 123.53 3i5m h LYS 77 Ca -0.05 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 3i5m h LYS 77 Cb 0.49 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 3i5m h LYS 77 CO 0.09 0.41 -0.08 0.82 -2.06 0.00 0.00 179.45 178.62 3i5m h ILE 78 N 0.63 1.41 -0.51 1.86 2.04 -1.05 -1.82 117.51 120.08 3i5m h ILE 78 Ca 0.40 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3i5m h ILE 78 Cb 0.67 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3i5m h ILE 78 CO -0.16 0.37 0.23 -0.07 0.00 0.00 0.00 178.15 178.52 3i5m h LEU 79 N -0.35 0.68 0.23 1.44 3.38 -0.71 -2.56 115.31 117.42 3i5m h LEU 79 Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3i5m h LEU 79 Cb 0.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3i5m h LEU 79 CO 0.02 0.64 -0.11 0.11 0.09 0.00 0.00 178.44 179.18 3i5m h LYS 80 N 0.68 -0.30 -0.69 1.13 1.57 -1.14 -2.18 116.57 115.65 3i5m h LYS 80 Ca 0.17 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3i5m h LYS 80 Cb 0.15 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3i5m h LYS 80 CO -0.02 0.04 0.43 1.49 -0.57 0.00 0.00 179.45 180.82 3i5m h GLU 81 N -0.69 0.81 -0.14 3.15 4.57 -1.37 -2.80 114.58 118.10 3i5m h GLU 81 Ca -0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3i5m h GLU 81 Cb 0.48 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3i5m h GLU 81 CO 0.05 0.53 0.00 0.72 -1.18 0.00 0.00 179.01 179.13 3i5m n HIS 82 N -4.68 0.17 -3.62 0.92 8.25 -0.97 -5.00 115.22 110.29 3i5m n HIS 82 Ca 0.07 -0.08 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 3i5m n HIS 82 Cb 0.09 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.25 3i5m n HIS 82 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i5m n GLU 83 N 0.72 -1.98 -2.98 -0.41 1.02 -0.84 -4.92 120.64 111.25 3i5m n GLU 83 Ca 0.17 0.55 -0.40 0.00 -0.02 0.00 0.00 57.16 57.45 3i5m n GLU 83 Cb 0.45 -4.58 -0.04 0.00 -0.02 0.00 0.00 31.44 27.24 3i5m n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i5m s ILE 84 N -3.51 4.98 -0.07 -3.67 -1.09 -1.10 -4.54 121.20 112.20 3i5m s ILE 84 Ca 0.39 1.52 0.03 0.00 -2.23 0.00 0.00 60.65 60.35 3i5m s ILE 84 Cb -0.12 -4.08 -0.25 0.00 -1.58 0.00 0.00 42.46 36.43 3i5m s ILE 84 CO 0.84 0.16 0.56 0.44 -1.23 0.00 0.00 174.94 175.70 3i5m h ASP 85 N 7.03 0.22 -3.44 3.58 3.32 -1.17 -3.43 116.42 122.54 3i5m h ASP 85 Ca -0.36 -0.47 -0.38 0.00 0.02 0.00 0.00 57.03 55.84 3i5m h ASP 85 Cb 1.17 -0.07 -0.35 0.00 0.22 0.00 0.00 39.33 40.30 3i5m h ASP 85 CO 0.78 1.42 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.33 3i5m s ILE 86 N -2.58 0.31 -0.21 0.35 1.01 -0.70 0.05 121.20 119.44 3i5m s ILE 86 Ca -0.13 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3i5m s ILE 86 Cb 0.07 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 42.15 3i5m s ILE 86 CO 0.80 0.19 -0.12 -0.69 0.00 0.00 0.00 174.94 175.13 3i5m s VAL 87 N 1.18 2.70 -0.23 2.92 1.01 -0.56 0.06 120.40 127.47 3i5m s VAL 87 Ca -0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3i5m s VAL 87 Cb -0.14 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3i5m s VAL 87 CO -0.02 0.43 -0.05 -0.69 0.00 0.00 0.00 175.10 174.77 3i5m s VAL 88 N 1.36 3.14 -0.17 2.92 1.01 0.12 -0.53 120.40 128.25 3i5m s VAL 88 Ca 0.04 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3i5m s VAL 88 Cb -0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3i5m s VAL 88 CO -0.08 0.34 0.07 -0.55 0.00 0.00 0.00 175.10 174.88 3i5m s SER 89 N 1.42 5.69 -0.05 3.32 0.15 -0.17 -0.98 113.70 123.08 3i5m s SER 89 Ca 0.04 0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.88 3i5m s SER 89 Cb -0.15 -1.94 0.10 0.00 -1.71 0.00 0.00 66.02 62.32 3i5m s SER 89 CO -0.04 0.21 0.97 0.35 1.20 0.00 0.00 173.24 175.93 3i5m n THR 90 N 3.30 0.89 -1.67 6.45 -2.24 0.70 -3.20 114.28 118.50 3i5m n THR 90 Ca -0.17 -1.02 -0.38 0.00 -2.27 0.00 0.00 64.05 60.21 3i5m n THR 90 Cb 0.53 0.31 0.05 0.00 -2.10 0.00 0.00 70.33 69.11 3i5m n THR 90 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3i5m n VAL 91 N -0.62 3.73 -0.80 2.28 0.24 -1.25 -4.58 118.33 117.33 3i5m n VAL 91 Ca 0.06 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.34 61.57 3i5m n VAL 91 Cb 0.55 -1.34 0.23 0.00 -1.47 0.00 0.00 33.84 31.81 3i5m n VAL 91 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i5m s GLY 92 N -1.10 1.54 0.35 7.63 0.00 -1.26 -4.83 107.32 109.64 3i5m s GLY 92 Ca 0.74 -0.37 0.27 0.00 0.00 0.00 0.00 44.72 45.35 3i5m s GLY 92 CO 0.48 0.36 1.79 -1.33 0.00 0.00 0.00 173.10 174.41 3i5m h GLY 93 N -2.47 0.00 1.69 0.20 0.00 -1.99 -1.44 103.07 99.06 3i5m h GLY 93 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3i5m h GLY 93 CO 0.50 0.00 -0.29 1.05 0.00 0.00 0.00 176.54 177.81 3i5m h GLU 94 N 0.00 0.00 -0.14 4.80 9.09 -2.03 -3.34 114.58 122.96 3i5m h GLU 94 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i5m h GLU 94 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 3i5m h GLU 94 CO 0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 3i5m n SER 95 N -2.77 2.53 -0.23 3.06 7.64 -0.55 -4.67 113.62 118.64 3i5m n SER 95 Ca 0.03 -1.83 0.03 0.00 1.01 0.00 0.00 58.87 58.11 3i5m n SER 95 Cb 0.51 -0.08 0.15 0.00 -1.01 0.00 0.00 64.21 63.78 3i5m n SER 95 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3i5m h ILE 96 N 3.67 0.59 0.00 0.44 1.08 -1.69 -0.56 117.51 121.04 3i5m h ILE 96 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3i5m h ILE 96 Cb 0.79 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3i5m h ILE 96 CO 0.00 0.05 0.00 -0.07 -0.69 0.00 0.00 178.15 177.44 3i5m h LEU 97 N 0.30 0.00 -2.54 1.44 3.38 -1.88 -2.78 115.31 113.23 3i5m h LEU 97 Ca 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 3i5m h LEU 97 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3i5m h LEU 97 CO -0.45 0.00 -0.01 0.44 0.09 0.00 0.00 178.44 178.51 3i5m h ASP 98 N 0.00 0.00 0.76 -0.43 3.32 -1.43 -2.07 116.42 116.57 3i5m h ASP 98 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i5m h ASP 98 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3i5m h ASP 98 CO 0.00 0.01 0.00 1.56 -1.72 0.00 0.00 179.24 179.09 3i5m h GLN 99 N 0.00 0.00 -0.93 3.56 4.20 -1.59 -3.20 115.11 117.15 3i5m h GLN 99 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 3i5m h GLN 99 Cb 0.05 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 3i5m h GLN 99 CO 0.00 0.00 0.60 0.82 -0.67 0.00 0.00 178.83 179.58 3i5m h ILE 100 N 0.00 1.02 -0.01 2.54 2.04 -1.58 0.14 117.51 121.67 3i5m h ILE 100 Ca 0.00 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.39 3i5m h ILE 100 Cb 0.38 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3i5m h ILE 100 CO 0.00 0.18 -0.61 0.00 0.00 0.00 0.00 178.15 177.72 3i5m h ALA 101 N 1.52 0.97 -0.51 1.87 0.00 -1.74 -2.64 119.26 118.73 3i5m h ALA 101 Ca 0.42 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3i5m h ALA 101 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i5m h ALA 101 CO -0.18 0.76 0.02 1.25 0.00 0.00 0.00 179.25 181.10 3i5m h LEU 102 N 0.02 0.81 -0.34 0.00 5.85 -0.37 -1.64 115.31 119.65 3i5m h LEU 102 Ca -0.01 -0.20 -0.19 0.00 0.84 0.00 0.00 57.88 58.33 3i5m h LEU 102 Cb 1.09 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3i5m h LEU 102 CO 0.08 0.87 -0.61 0.58 -0.34 0.00 0.00 178.44 179.02 3i5m h VAL 103 N 0.79 1.29 -0.58 1.05 2.07 -1.03 -0.73 116.25 119.11 3i5m h VAL 103 Ca 0.15 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 3i5m h VAL 103 Cb 0.45 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3i5m h VAL 103 CO 0.02 0.58 0.26 0.11 0.02 0.00 0.00 177.57 178.56 3i5m h LYS 104 N 0.56 0.85 -0.07 1.57 1.79 -1.32 -2.03 116.57 117.92 3i5m h LYS 104 Ca -0.00 -0.14 0.02 0.00 -2.18 0.00 0.00 60.65 58.34 3i5m h LYS 104 Cb 1.20 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 3i5m h LYS 104 CO 0.13 0.71 -0.03 0.00 -1.08 0.00 0.00 179.45 179.18 3i5m h ALA 105 N 1.10 0.03 -0.04 3.86 0.00 -1.08 -1.77 119.26 121.37 3i5m h ALA 105 Ca 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i5m h ALA 105 Cb 0.15 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i5m h ALA 105 CO -0.02 -0.50 0.00 0.52 0.00 0.00 0.00 179.25 179.25 3i5m h MET 106 N -0.02 0.05 -0.12 0.00 2.86 -0.93 -2.18 114.93 114.58 3i5m h MET 106 Ca 0.04 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3i5m h MET 106 Cb 0.08 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3i5m h MET 106 CO -0.08 0.05 -0.27 -0.22 1.06 0.00 0.00 176.91 177.45 3i5m h LYS 107 N 0.05 0.40 -0.42 1.72 3.64 -1.04 -2.33 116.57 118.59 3i5m h LYS 107 Ca 0.01 -0.26 0.06 0.00 -1.27 0.00 0.00 60.65 59.19 3i5m h LYS 107 Cb 0.03 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3i5m h LYS 107 CO -0.00 0.87 0.13 0.00 -2.27 0.00 0.00 179.45 178.18 3i5m h ALA 108 N 0.53 0.49 0.00 5.00 0.00 -0.71 -2.83 119.26 121.73 3i5m h ALA 108 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i5m h ALA 108 Cb 0.86 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i5m h ALA 108 CO 0.06 -0.26 -0.55 -0.39 0.00 0.00 0.00 179.25 178.11 3i5m h VAL 109 N 0.29 0.00 -0.09 0.00 -1.51 -1.54 -3.48 116.25 109.92 3i5m h VAL 109 Ca 0.20 -0.66 -0.03 0.00 -1.23 0.00 0.00 66.70 64.98 3i5m h VAL 109 Cb 0.20 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 3i5m h VAL 109 CO -0.22 0.00 -0.03 0.61 -1.23 0.00 0.00 177.57 176.71 3i5m n GLY 110 N 1.27 0.14 1.25 5.19 0.00 -0.88 -4.82 105.19 107.34 3i5m n GLY 110 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3i5m n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i5m n THR 111 N -1.75 2.36 -3.30 2.61 -2.24 -1.26 -5.02 114.28 105.67 3i5m n THR 111 Ca -0.01 -1.65 -0.38 0.00 -2.27 0.00 0.00 64.05 59.73 3i5m n THR 111 Cb 0.44 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 3i5m n THR 111 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i5m s ILE 112 N -2.67 5.10 -0.10 2.28 -1.09 -1.26 -4.76 121.20 118.69 3i5m s ILE 112 Ca 0.46 1.02 0.21 0.00 -2.23 0.00 0.00 60.65 60.11 3i5m s ILE 112 Cb 0.36 -3.84 -0.24 0.00 -1.58 0.00 0.00 42.46 37.16 3i5m s ILE 112 CO 0.12 0.38 0.57 0.29 -1.23 0.00 0.00 174.94 175.07 3i5m n LYS 113 N 3.23 0.65 -3.64 2.79 4.76 0.11 -4.62 118.16 121.44 3i5m n LYS 113 Ca -0.08 -0.07 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 3i5m n LYS 113 Cb 0.52 -1.61 -0.07 0.00 -1.84 0.00 0.00 35.03 32.02 3i5m n LYS 113 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3i5m s ARG 114 N -3.29 0.74 -0.17 1.97 6.06 -1.16 -4.74 118.95 118.35 3i5m s ARG 114 Ca -0.06 1.06 0.01 0.00 -2.50 0.00 0.00 55.73 54.24 3i5m s ARG 114 Cb 0.11 0.26 0.01 0.00 0.06 0.00 0.00 34.95 35.39 3i5m s ARG 114 CO 0.87 -0.12 -0.17 0.12 -2.50 0.00 0.00 175.30 173.49 3i5m s PHE 115 N 1.00 2.78 -0.44 5.12 5.99 0.17 -1.50 117.98 131.10 3i5m s PHE 115 Ca -0.05 -1.34 -0.14 0.00 0.00 0.00 0.00 56.93 55.40 3i5m s PHE 115 Cb -0.05 -1.91 0.06 0.00 0.00 0.00 0.00 43.02 41.12 3i5m s PHE 115 CO -0.10 -0.65 0.33 -0.51 -0.00 0.00 0.00 175.22 174.29 3i5m s LEU 116 N 1.09 5.33 1.01 6.12 1.02 0.31 -2.17 118.68 131.39 3i5m s LEU 116 Ca -0.00 -1.25 -0.13 0.00 0.02 0.00 0.00 54.13 52.77 3i5m s LEU 116 Cb -0.14 -2.12 0.19 0.00 0.02 0.00 0.00 46.19 44.14 3i5m s LEU 116 CO -0.06 -0.56 1.10 -2.16 0.02 0.00 0.00 176.35 174.69 3i5m s PRO 117 N 1.59 0.37 -1.01 1.29 0.04 -1.26 -1.00 135.00 135.02 3i5m s PRO 117 Ca 0.04 0.42 -0.23 0.00 0.04 0.00 0.00 61.00 61.27 3i5m s PRO 117 Cb -0.22 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.61 3i5m s PRO 117 CO 0.06 -2.75 1.51 0.45 0.04 0.00 0.00 177.00 176.32 3i5m s SER 118 N -3.58 6.34 0.00 6.66 0.15 -1.19 -4.70 113.70 117.38 3i5m s SER 118 Ca 0.66 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.93 3i5m s SER 118 Cb -0.18 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3i5m s SER 118 CO 0.57 -1.65 0.00 -0.62 1.20 0.00 0.00 173.24 172.74 3i5m n GLU 119 N 8.88 0.00 -4.27 5.44 -0.58 -1.26 -4.99 120.64 123.86 3i5m n GLU 119 Ca 0.34 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.71 3i5m n GLU 119 Cb 0.50 -0.15 -0.03 0.00 -0.57 0.00 0.00 31.44 31.19 3i5m n GLU 119 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3i5m n PHE 120 N -1.90 -1.67 0.00 -0.32 3.01 0.90 -4.69 117.46 112.79 3i5m n PHE 120 Ca 0.00 0.79 0.00 0.00 1.01 0.00 0.00 57.45 59.25 3i5m n PHE 120 Cb 0.00 -2.79 0.00 0.00 -0.01 0.00 0.00 39.48 36.68 3i5m n PHE 120 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i5m n GLY 121 N -1.34 3.53 3.99 1.37 0.00 -1.22 -4.67 105.19 106.85 3i5m n GLY 121 Ca 0.09 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 3i5m n GLY 121 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i5m s HIS 122 N 2.24 2.01 -0.48 1.61 3.76 -1.26 -0.69 115.29 122.48 3i5m s HIS 122 Ca 0.00 -0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.39 3i5m s HIS 122 Cb 0.00 -2.83 0.03 0.00 1.11 0.00 0.00 32.58 30.88 3i5m s HIS 122 CO 0.00 -1.36 1.20 0.34 -0.85 0.00 0.00 174.74 174.06 3i5m s ASP 123 N -4.62 6.55 0.52 1.40 -1.08 -1.26 -4.80 116.67 113.38 3i5m s ASP 123 Ca 0.63 0.48 0.33 0.00 -0.52 0.00 0.00 52.55 53.47 3i5m s ASP 123 Cb -0.07 -2.55 1.40 0.00 -1.46 0.00 0.00 42.92 40.24 3i5m s ASP 123 CO 0.42 -1.32 1.98 -0.37 0.52 0.00 0.00 175.17 176.39 3i5m h VAL 124 N 6.28 0.00 0.00 1.11 -1.51 -1.95 -1.47 116.25 118.70 3i5m h VAL 124 Ca -0.24 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3i5m h VAL 124 Cb 1.07 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3i5m h VAL 124 CO 1.13 0.00 -0.14 0.78 -1.23 0.00 0.00 177.57 178.11 3i5m h ASN 125 N 0.00 0.00 0.03 4.19 4.21 -1.95 -3.37 115.58 118.68 3i5m h ASN 125 Ca 0.00 -0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.13 3i5m h ASN 125 Cb 0.45 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.59 3i5m h ASN 125 CO 0.00 0.00 -2.38 0.54 -1.29 0.00 0.00 177.43 174.30 3i5m n ARG 126 N -3.04 0.67 -2.93 0.81 1.74 -0.74 -4.98 116.66 108.19 3i5m n ARG 126 Ca 0.03 0.09 -0.40 0.00 -0.77 0.00 0.00 57.85 56.81 3i5m n ARG 126 Cb 0.53 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 3i5m n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i5m s ALA 127 N -2.51 3.42 -0.65 7.54 0.00 -0.63 -5.04 121.76 123.89 3i5m s ALA 127 Ca -0.22 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.21 3i5m s ALA 127 Cb 0.08 -3.02 0.21 0.00 0.00 0.00 0.00 23.12 20.39 3i5m s ALA 127 CO 0.72 0.27 0.61 -3.47 0.00 0.00 0.00 175.76 173.89 3i5m n ASP 128 N 1.61 3.12 -4.83 0.00 2.036860.51 -4.88 116.55 6974.10 3i5m n ASP 128 Ca -0.05 -3.27 -0.31 0.00 0.52 0.00 0.00 54.79 51.69 3i5m n ASP 128 Cb 0.48 -0.70 0.05 0.00 -0.72 0.00 0.00 41.12 40.23 3i5m n ASP 128 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i5m s PRO 129 N -1.87 2.97 0.79 -0.67 0.04 -0.02 -5.04 135.00 131.18 3i5m s PRO 129 Ca 0.33 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 3i5m s PRO 129 Cb 0.06 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.66 3i5m s PRO 129 CO -0.09 -1.05 1.11 0.14 0.04 0.00 0.00 177.00 177.15 3i5m s VAL 130 N -3.09 2.91 0.50 -0.36 -7.23 -1.26 -4.05 120.40 107.81 3i5m s VAL 130 Ca 0.58 0.29 -0.23 0.00 -1.81 0.00 0.00 61.98 60.81 3i5m s VAL 130 Cb -0.13 -3.16 -0.06 0.00 0.56 0.00 0.00 36.38 33.59 3i5m s VAL 130 CO 0.55 -0.38 1.35 -1.61 -0.31 0.00 0.00 175.10 174.69 3i5m s GLU 131 N -5.30 3.44 0.00 4.82 0.41 -1.26 -1.28 118.70 119.53 3i5m s GLU 131 Ca 0.60 2.22 0.24 0.00 -0.41 0.00 0.00 54.97 57.62 3i5m s GLU 131 Cb -0.13 -2.43 0.57 0.00 -1.78 0.00 0.00 34.13 30.36 3i5m s GLU 131 CO 0.53 -0.95 1.47 -0.35 -0.49 0.00 0.00 175.26 175.47 3i5m n PRO 132 N -0.63 2.10 -0.33 0.39 -0.05 -1.26 -4.54 135.00 130.66 3i5m n PRO 132 Ca 0.08 -1.62 0.05 0.00 -0.05 0.00 0.00 63.50 61.95 3i5m n PRO 132 Cb 0.44 -1.46 0.20 0.00 -0.05 0.00 0.00 33.50 32.63 3i5m n PRO 132 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 175.50 176.23 3i5m h GLY 133 N 4.77 1.48 0.23 0.55 0.00 -1.67 -2.66 103.07 105.77 3i5m h GLY 133 Ca 0.00 -0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.05 3i5m h GLY 133 CO 0.00 0.18 0.17 -2.00 0.00 0.00 0.00 176.54 174.89 3i5m h LEU 134 N 0.94 0.09 -0.34 3.11 5.85 -1.33 -2.39 115.31 121.24 3i5m h LEU 134 Ca 0.45 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.27 3i5m h LEU 134 Cb 0.39 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3i5m h LEU 134 CO -0.24 0.05 0.20 -1.13 -0.34 0.00 0.00 178.44 176.98 3i5m h ASN 135 N 0.31 0.41 -0.76 1.25 -1.24 -1.77 0.26 115.58 114.04 3i5m h ASN 135 Ca 0.32 -0.06 0.16 0.00 0.71 0.00 0.00 56.30 57.43 3i5m h ASN 135 Cb 0.47 -0.10 -0.10 0.00 0.73 0.00 0.00 38.32 39.31 3i5m h ASN 135 CO -0.38 0.35 0.26 -0.03 -1.29 0.00 0.00 177.43 176.34 3i5m h MET 136 N 0.44 0.36 -0.53 6.67 4.05 -1.35 -0.33 114.93 124.25 3i5m h MET 136 Ca 0.12 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.43 3i5m h MET 136 Cb 0.02 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 3i5m h MET 136 CO -0.02 0.24 -0.03 1.88 0.23 0.00 0.00 176.91 179.20 3i5m h TYR 137 N 0.37 1.00 -0.59 1.39 -1.99 -0.89 -1.25 116.97 115.01 3i5m h TYR 137 Ca 0.43 -0.17 0.10 0.00 2.00 0.00 0.00 58.73 61.09 3i5m h TYR 137 Cb 0.70 -0.26 -0.08 0.00 2.00 0.00 0.00 36.73 39.08 3i5m h TYR 137 CO -0.20 0.92 0.15 0.00 -0.00 0.00 0.00 178.16 179.02 3i5m h ARG 138 N 0.84 0.28 -0.75 4.88 3.08 0.12 0.46 114.38 123.29 3i5m h ARG 138 Ca 0.15 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 3i5m h ARG 138 Cb 0.55 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3i5m h ARG 138 CO 0.03 0.18 0.32 0.93 -1.07 0.00 0.00 179.97 180.37 3i5m h GLU 139 N 0.29 1.11 -0.15 0.04 5.08 -0.20 -1.42 114.58 119.33 3i5m h GLU 139 Ca 0.30 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3i5m h GLU 139 Cb 0.43 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3i5m h GLU 139 CO -0.37 0.90 -0.13 0.87 -1.00 0.00 0.00 179.01 179.27 3i5m h LYS 140 N 1.08 0.36 -0.80 2.33 1.57 -0.67 -2.46 116.57 117.97 3i5m h LYS 140 Ca 0.25 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3i5m h LYS 140 Cb 0.18 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 3i5m h LYS 140 CO -0.02 0.73 0.49 0.00 -0.57 0.00 0.00 179.45 180.08 3i5m h ARG 141 N 0.00 0.89 -1.01 3.15 3.08 0.03 -0.79 114.38 119.73 3i5m h ARG 141 Ca 0.03 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3i5m h ARG 141 Cb 0.65 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 3i5m h ARG 141 CO 0.03 0.59 0.67 -0.09 -1.07 0.00 0.00 179.97 180.10 3i5m h ARG 142 N 0.92 1.32 -0.63 0.04 9.65 -1.22 -0.90 114.38 123.55 3i5m h ARG 142 Ca 0.34 -0.08 -0.07 0.00 -1.10 0.00 0.00 59.98 59.07 3i5m h ARG 142 Cb 0.13 -0.30 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 3i5m h ARG 142 CO -0.16 0.87 0.12 0.28 2.80 0.00 0.00 179.97 183.88 3i5m h VAL 143 N 1.36 1.26 0.23 0.20 2.07 -0.75 -2.14 116.25 118.47 3i5m h VAL 143 Ca 0.37 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3i5m h VAL 143 Cb -0.14 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3i5m h VAL 143 CO -0.09 0.37 -0.31 0.03 0.02 0.00 0.00 177.57 177.59 3i5m h ARG 144 N 0.95 -0.58 -0.53 1.57 3.08 -0.19 -0.66 114.38 118.02 3i5m h ARG 144 Ca 0.19 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.39 3i5m h ARG 144 Cb 0.41 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.49 3i5m h ARG 144 CO 0.01 -0.39 -0.18 0.37 -1.07 0.00 0.00 179.97 178.72 3i5m h GLN 145 N -0.60 -0.05 -0.81 0.04 -0.00 -1.13 -0.86 115.11 111.70 3i5m h GLN 145 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.69 3i5m h GLN 145 Cb 0.58 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 28.03 3i5m h GLN 145 CO -0.12 -0.03 0.52 1.25 0.00 0.00 0.00 178.83 180.45 3i5m h LEU 146 N -0.05 0.87 -0.15 -2.39 5.85 -1.04 -1.72 115.31 116.69 3i5m h LEU 146 Ca 0.25 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3i5m h LEU 146 Cb 0.44 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3i5m h LEU 146 CO -0.57 0.60 0.09 0.58 -0.34 0.00 0.00 178.44 178.80 3i5m h VAL 147 N 1.02 1.06 -0.25 1.05 2.07 0.22 -2.20 116.25 119.23 3i5m h VAL 147 Ca 0.32 -0.15 -0.20 0.00 0.82 0.00 0.00 66.70 67.50 3i5m h VAL 147 Cb -0.01 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3i5m h VAL 147 CO -0.11 0.06 -0.61 -0.33 0.02 0.00 0.00 177.57 176.60 3i5m h GLU 148 N 0.18 0.86 0.00 1.57 5.08 -1.13 -2.58 114.58 118.56 3i5m h GLU 148 Ca 0.05 -0.59 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 3i5m h GLU 148 Cb 0.01 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3i5m h GLU 148 CO -0.01 1.22 -0.18 0.93 -1.00 0.00 0.00 179.01 179.96 3i5m h GLU 149 N 0.63 0.00 -0.08 2.33 5.08 -1.33 -2.15 114.58 119.07 3i5m h GLU 149 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i5m h GLU 149 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3i5m h GLU 149 CO 0.13 0.18 0.00 0.43 -1.00 0.00 0.00 179.01 178.76 3i5m n SER 150 N -3.61 0.78 -2.30 1.42 7.64 -0.83 -4.92 113.62 111.80 3i5m n SER 150 Ca -0.01 -1.58 -0.19 0.00 1.01 0.00 0.00 58.87 58.10 3i5m n SER 150 Cb 0.32 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 3i5m n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5m n GLY 151 N 0.94 -0.20 3.74 0.23 0.00 -0.81 -4.92 105.19 104.17 3i5m n GLY 151 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3i5m n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5m s ILE 152 N -2.89 4.96 0.26 -0.61 1.01 -1.12 -5.05 121.20 117.76 3i5m s ILE 152 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 3i5m s ILE 152 Cb 0.00 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 3i5m s ILE 152 CO 0.00 0.35 1.23 -2.16 0.00 0.00 0.00 174.94 174.37 3i5m s PRO 153 N 0.21 4.46 0.11 2.79 0.04 -1.26 -4.73 135.00 136.61 3i5m s PRO 153 Ca 0.33 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.40 3i5m s PRO 153 Cb -0.18 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 3i5m s PRO 153 CO 0.17 -0.08 -0.06 -0.59 0.04 0.00 0.00 177.00 176.48 3i5m s PHE 154 N -0.65 0.95 -0.03 0.56 -0.71 -1.26 -0.65 117.98 116.19 3i5m s PHE 154 Ca 0.50 -0.92 -0.01 0.00 -1.04 0.00 0.00 56.93 55.47 3i5m s PHE 154 Cb -0.36 -0.54 0.03 0.00 -1.21 0.00 0.00 43.02 40.94 3i5m s PHE 154 CO 0.43 -0.14 0.04 0.99 -1.34 0.00 0.00 175.22 175.20 3i5m s THR 155 N -3.61 -0.05 -0.31 -4.49 2.01 -0.92 -0.58 115.64 107.68 3i5m s THR 155 Ca 0.14 0.28 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 3i5m s THR 155 Cb 0.05 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.41 3i5m s THR 155 CO -0.03 0.12 0.21 -0.31 -0.69 0.00 0.00 174.62 173.92 3i5m s TYR 156 N 1.43 3.21 -0.62 4.92 2.02 -0.60 -4.31 117.35 123.41 3i5m s TYR 156 Ca -0.04 -0.14 -0.27 0.00 -0.37 0.00 0.00 57.07 56.25 3i5m s TYR 156 Cb -0.13 -2.42 0.03 0.00 -0.40 0.00 0.00 41.96 39.05 3i5m s TYR 156 CO -0.03 -0.30 1.15 0.42 -1.57 0.00 0.00 175.55 175.22 3i5m s ILE 157 N 1.72 4.04 -1.08 2.71 -1.09 -1.26 -0.47 121.20 125.76 3i5m s ILE 157 Ca 0.06 0.59 -0.06 0.00 -2.23 0.00 0.00 60.65 59.01 3i5m s ILE 157 Cb -0.17 -4.73 0.29 0.00 -1.58 0.00 0.00 42.46 36.27 3i5m s ILE 157 CO 0.10 -1.43 1.28 0.00 -1.23 0.00 0.00 174.94 173.66 3i5m n ASN 160 N 1.04 0.00 -4.63 0.00 3.02 0.13 -4.71 115.26 110.12 3i5m n ASN 160 Ca 0.18 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 3i5m n ASN 160 Cb 0.47 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.55 3i5m n ASN 160 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3i5m s SER 161 N -4.00 6.30 0.32 6.41 0.01 -0.67 -4.53 113.70 117.54 3i5m s SER 161 Ca 0.00 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.31 3i5m s SER 161 Cb 0.00 -2.20 -0.11 0.00 0.21 0.00 0.00 66.02 63.91 3i5m s SER 161 CO 0.00 -0.11 1.58 0.00 0.41 0.00 0.00 173.24 175.12 3i5m n ILE 162 N 4.74 1.25 -2.36 1.44 3.06 -1.26 0.40 119.36 126.64 3i5m n ILE 162 Ca -0.09 -0.31 -0.36 0.00 -2.50 0.00 0.00 62.75 59.48 3i5m n ILE 162 Cb 0.51 -1.99 -0.03 0.00 0.54 0.00 0.00 39.64 38.68 3i5m n ILE 162 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i5m s ALA 163 N -0.26 2.62 0.35 1.51 0.00 -0.14 -4.70 121.76 121.14 3i5m s ALA 163 Ca 0.61 -2.53 0.04 0.00 0.00 0.00 0.00 51.96 50.08 3i5m s ALA 163 Cb -0.49 -4.65 -0.05 0.00 0.00 0.00 0.00 23.12 17.94 3i5m s ALA 163 CO 0.52 -4.13 0.08 -1.54 0.00 0.00 0.00 175.76 170.68 3i5m s SER 164 N 5.31 2.50 0.15 0.00 1.04 -1.26 -4.93 113.70 116.51 3i5m s SER 164 Ca 0.60 -1.47 -0.31 0.00 0.48 0.00 0.00 55.95 55.25 3i5m s SER 164 Cb 0.01 0.11 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 3i5m s SER 164 CO 0.09 -0.71 1.44 0.86 0.98 0.00 0.00 173.24 175.89 3i5m s TRP 165 N -3.28 3.17 -1.54 5.02 -0.11 -1.25 -4.91 118.94 116.03 3i5m s TRP 165 Ca 0.32 0.89 -0.10 0.00 1.22 0.00 0.00 56.10 58.43 3i5m s TRP 165 Cb 0.07 -3.76 -0.07 0.00 -1.50 0.00 0.00 33.47 28.20 3i5m s TRP 165 CO 0.15 -2.67 2.81 -0.35 -4.62 0.00 0.00 176.95 172.27 3i5m n PRO 166 N 3.65 3.46 -1.24 5.86 -0.04 -1.26 -4.70 135.00 140.73 3i5m n PRO 166 Ca 0.11 -2.18 -0.33 0.00 -0.04 0.00 0.00 63.50 61.06 3i5m n PRO 166 Cb 0.41 -2.82 0.11 0.00 -0.04 0.00 0.00 33.50 31.16 3i5m n PRO 166 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i5m s TYR 167 N 2.41 1.96 0.14 0.54 2.02 -1.26 -4.97 117.35 118.20 3i5m s TYR 167 Ca 0.65 1.64 -0.02 0.00 -0.37 0.00 0.00 57.07 58.97 3i5m s TYR 167 Cb 0.17 -3.43 -0.06 0.00 -0.40 0.00 0.00 41.96 38.24 3i5m s TYR 167 CO -0.06 -2.64 1.34 0.10 -1.57 0.00 0.00 175.55 172.71 3i5m h TYR 168 N -0.72 0.51 0.00 2.71 -0.00 -1.94 -3.38 116.97 114.15 3i5m h TYR 168 Ca -0.46 -0.27 -0.11 0.00 0.00 0.00 0.00 58.73 57.88 3i5m h TYR 168 Cb 1.29 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.94 3i5m h TYR 168 CO 0.48 1.09 -1.05 0.27 -0.00 0.00 0.00 178.16 178.95 3i5m n ASN 169 N -3.73 1.87 0.00 0.10 0.23 -1.26 -3.19 115.26 109.28 3i5m n ASN 169 Ca -0.06 0.48 0.00 0.00 -0.53 0.00 0.00 54.58 54.47 3i5m n ASN 169 Cb 0.82 -0.85 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 3i5m n ASN 169 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3i5m n ASN 170 N -4.49 0.00 0.00 0.53 6.94 -1.26 -4.70 115.26 112.28 3i5m n ASN 170 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.36 3i5m n ASN 170 Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3i5m n ASN 170 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3i5m n VAL 176 N 0.00 0.00 -1.61 3.53 0.31 -1.26 16.48 118.33 135.78 3i5m n VAL 176 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.85 3i5m n VAL 176 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3i5m n VAL 176 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i5m n LEU 177 N 0.00 2.12 -4.60 7.52 -0.00 -1.26 -3.97 117.00 116.81 3i5m n LEU 177 Ca 0.00 1.13 -0.30 0.00 -0.00 0.00 0.00 56.01 56.84 3i5m n LEU 177 Cb 0.00 -1.29 0.20 0.00 -0.00 0.00 0.00 43.42 42.34 3i5m n LEU 177 CO 0.00 -0.93 0.61 -2.84 -0.00 0.00 0.00 177.39 174.24 3i5m s PRO 178 N -0.04 0.20 0.23 1.47 0.02 -1.26 -4.89 135.00 130.74 3i5m s PRO 178 Ca 0.75 1.27 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 3i5m s PRO 178 Cb -0.80 -1.65 -0.10 0.00 0.02 0.00 0.00 34.50 31.97 3i5m s PRO 178 CO 0.49 -3.10 1.41 -1.25 -0.33 0.00 0.00 177.00 174.22 3i5m s PRO 179 N -4.57 4.30 0.00 5.54 0.04 -1.26 -4.90 135.00 134.15 3i5m s PRO 179 Ca 0.67 2.24 0.23 0.00 0.04 0.00 0.00 61.00 64.18 3i5m s PRO 179 Cb -0.24 -3.13 0.30 0.00 0.04 0.00 0.00 34.50 31.47 3i5m s PRO 179 CO 0.61 -0.38 1.31 0.25 0.04 0.00 0.00 177.00 178.83 3i5m n THR 180 N 2.43 0.27 -0.02 1.26 -2.24 -1.26 -4.70 114.28 110.02 3i5m n THR 180 Ca 0.07 -0.63 -0.04 0.00 -2.27 0.00 0.00 64.05 61.18 3i5m n THR 180 Cb 0.41 1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 3i5m n THR 180 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3i5m n ASP 181 N 1.38 1.27 -3.47 3.42 5.68 -1.26 -5.09 116.55 118.49 3i5m n ASP 181 Ca 0.16 0.20 -0.12 0.00 -0.50 0.00 0.00 54.79 54.53 3i5m n ASP 181 Cb 0.59 -0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 40.05 3i5m n ASP 181 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3i5m s PHE 182 N -2.21 -0.48 -0.09 2.11 -0.71 -1.26 -4.50 117.98 110.84 3i5m s PHE 182 Ca -0.12 0.24 -0.13 0.00 -1.04 0.00 0.00 56.93 55.88 3i5m s PHE 182 Cb 0.02 0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 3i5m s PHE 182 CO 0.18 -0.84 0.31 -0.06 -1.34 0.00 0.00 175.22 173.47 3i5m s PHE 183 N -3.76 3.59 -0.29 3.49 0.08 0.23 -4.80 117.98 116.52 3i5m s PHE 183 Ca 0.02 0.74 -0.08 0.00 0.12 0.00 0.00 56.93 57.73 3i5m s PHE 183 Cb -0.01 -2.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 3i5m s PHE 183 CO -0.12 0.48 0.11 -0.65 -0.10 0.00 0.00 175.22 174.94 3i5m s GLN 184 N -0.39 3.39 -0.19 0.44 -0.21 -1.26 0.68 119.66 122.12 3i5m s GLN 184 Ca 0.19 -0.67 -0.06 0.00 0.02 0.00 0.00 55.36 54.84 3i5m s GLN 184 Cb -0.14 -3.44 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 3i5m s GLN 184 CO 0.08 -0.35 0.03 0.42 -2.12 0.00 0.00 175.29 173.35 3i5m s ILE 185 N 1.59 4.30 -0.05 1.08 -1.09 0.12 -4.90 121.20 122.25 3i5m s ILE 185 Ca 0.05 -0.20 -0.27 0.00 -2.23 0.00 0.00 60.65 57.99 3i5m s ILE 185 Cb -0.16 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 3i5m s ILE 185 CO 0.04 0.44 0.89 -0.31 -1.23 0.00 0.00 174.94 174.77 3i5m s TYR 186 N 0.74 3.59 0.00 3.97 2.02 -1.26 -0.30 117.35 126.11 3i5m s TYR 186 Ca 0.01 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 3i5m s TYR 186 Cb -0.14 -3.03 0.00 0.00 -0.40 0.00 0.00 41.96 38.40 3i5m s TYR 186 CO 0.02 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.37 3i5m n GLY 187 N 3.05 3.12 0.46 0.71 0.00 -0.44 -1.14 105.19 110.94 3i5m n GLY 187 Ca 0.04 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3i5m n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5m n ASP 188 N 2.39 1.35 -0.88 1.61 8.00 -1.26 -4.73 116.55 123.03 3i5m n ASP 188 Ca 0.00 -1.77 -0.11 0.00 0.71 0.00 0.00 54.79 53.62 3i5m n ASP 188 Cb 0.00 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 3i5m n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i5m n GLY 189 N 1.01 1.05 1.59 0.44 0.00 -0.29 -4.88 105.19 104.11 3i5m n GLY 189 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 3i5m n GLY 189 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i5m n ASN 190 N -1.04 3.99 -4.25 1.61 6.94 -1.26 -3.50 115.26 117.75 3i5m n ASN 190 Ca -0.11 -3.35 -0.35 0.00 -0.02 0.00 0.00 54.58 50.76 3i5m n ASN 190 Cb 0.57 -0.69 -0.14 0.00 -2.36 0.00 0.00 39.78 37.16 3i5m n ASN 190 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3i5m s VAL 191 N -3.05 3.05 0.45 3.53 1.01 -1.26 -5.01 120.40 119.11 3i5m s VAL 191 Ca 0.50 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 3i5m s VAL 191 Cb 0.42 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 3i5m s VAL 191 CO 0.09 0.36 1.09 -0.54 0.00 0.00 0.00 175.10 176.10 3i5m s LYS 192 N 1.41 3.90 0.15 2.72 -0.14 -1.26 -4.45 119.74 122.06 3i5m s LYS 192 Ca 0.04 1.57 0.01 0.00 -1.36 0.00 0.00 55.97 56.23 3i5m s LYS 192 Cb -0.15 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.60 3i5m s LYS 192 CO -0.05 -0.39 0.01 0.00 -0.76 0.00 0.00 175.35 174.17 3i5m s ALA 193 N -1.70 1.14 -0.18 5.17 0.00 0.13 -4.65 121.76 121.67 3i5m s ALA 193 Ca 0.63 -1.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 3i5m s ALA 193 Cb -0.23 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 3i5m s ALA 193 CO 0.28 -0.36 0.04 0.71 0.00 0.00 0.00 175.76 176.42 3i5m s TYR 194 N -3.78 3.17 -0.12 0.00 1.51 -1.26 -0.97 117.35 115.90 3i5m s TYR 194 Ca 0.22 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.22 3i5m s TYR 194 Cb 0.07 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3i5m s TYR 194 CO 0.02 0.06 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.29 3i5m s PHE 195 N 0.48 2.73 -0.03 2.71 0.08 -1.04 -1.67 117.98 121.24 3i5m s PHE 195 Ca 0.01 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.31 3i5m s PHE 195 Cb -0.13 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 3i5m s PHE 195 CO 0.01 -0.28 -0.10 0.08 -0.10 0.00 0.00 175.22 174.84 3i5m s VAL 196 N 0.34 0.84 0.32 -0.44 1.01 0.16 -4.79 120.40 117.85 3i5m s VAL 196 Ca -0.14 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 3i5m s VAL 196 Cb -0.17 -0.75 -0.11 0.00 0.00 0.00 0.00 36.38 35.36 3i5m s VAL 196 CO 0.07 0.26 1.44 0.00 0.00 0.00 0.00 175.10 176.87 3i5m s ALA 197 N 0.19 3.59 0.33 5.51 0.00 -1.26 -0.97 121.76 129.16 3i5m s ALA 197 Ca -0.03 1.43 0.12 0.00 0.00 0.00 0.00 51.96 53.48 3i5m s ALA 197 Cb -0.09 -3.57 1.04 0.00 0.00 0.00 0.00 23.12 20.51 3i5m s ALA 197 CO 0.01 -0.85 1.63 0.78 0.00 0.00 0.00 175.76 177.33 3i5m h GLY 198 N 3.90 1.90 2.00 0.00 0.00 -1.96 0.14 103.07 109.05 3i5m h GLY 198 Ca -0.48 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 3i5m h GLY 198 CO 0.70 -0.54 -0.52 -0.91 0.00 0.00 0.00 176.54 175.27 3i5m h THR 199 N 0.20 1.23 0.00 4.70 1.35 -1.92 -2.74 112.91 115.74 3i5m h THR 199 Ca 0.71 -1.88 -0.14 0.00 -0.55 0.00 0.00 66.41 64.55 3i5m h THR 199 Cb 1.65 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 70.10 3i5m h THR 199 CO -0.68 0.51 -0.68 0.44 -0.25 0.00 0.00 175.52 174.86 3i5m h ASP 200 N 0.00 0.00 -0.33 5.36 3.32 -1.13 -2.28 116.42 121.36 3i5m h ASP 200 Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3i5m h ASP 200 Cb 1.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3i5m h ASP 200 CO 0.07 0.68 0.04 0.40 -1.72 0.00 0.00 179.24 178.71 3i5m h ILE 201 N 0.00 1.24 -0.33 0.35 2.04 -1.05 -2.54 117.51 117.22 3i5m h ILE 201 Ca -0.01 -0.87 -0.17 0.00 1.00 0.00 0.00 64.86 64.82 3i5m h ILE 201 Cb 1.32 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3i5m h ILE 201 CO 0.09 0.29 -0.46 1.23 0.00 0.00 0.00 178.15 179.29 3i5m h GLY 202 N 0.37 0.98 0.47 5.37 0.00 -1.46 -2.13 103.07 106.68 3i5m h GLY 202 Ca 0.10 -1.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 3i5m h GLY 202 CO 0.01 0.97 -0.03 1.70 0.00 0.00 0.00 176.54 179.19 3i5m h LYS 203 N 0.70 -0.07 -0.11 4.80 3.64 -1.46 -2.19 116.57 121.88 3i5m h LYS 203 Ca 0.04 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 3i5m h LYS 203 Cb 1.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3i5m h LYS 203 CO 0.11 0.42 -0.38 0.74 -2.27 0.00 0.00 179.45 178.07 3i5m h PHE 204 N -0.61 0.27 -0.03 1.91 0.04 -1.58 -2.09 116.94 114.85 3i5m h PHE 204 Ca -0.01 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.73 3i5m h PHE 204 Cb 0.53 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 3i5m h PHE 204 CO 0.10 0.58 -0.20 1.15 -0.60 0.00 0.00 178.31 179.34 3i5m h THR 205 N 0.20 0.52 -0.24 -1.55 2.02 -1.35 -2.23 112.91 110.28 3i5m h THR 205 Ca 0.02 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 3i5m h THR 205 Cb 0.76 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3i5m h THR 205 CO 0.06 0.00 -0.16 0.24 0.37 0.00 0.00 175.52 176.03 3i5m h MET 206 N -0.31 0.41 -0.46 6.66 2.86 -1.14 -1.63 114.93 121.32 3i5m h MET 206 Ca 0.07 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3i5m h MET 206 Cb 0.40 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 3i5m h MET 206 CO -0.20 0.56 0.18 0.87 1.06 0.00 0.00 176.91 179.38 3i5m h LYS 207 N 0.37 0.35 0.00 1.72 1.57 -1.17 -3.05 116.57 116.37 3i5m h LYS 207 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3i5m h LYS 207 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3i5m h LYS 207 CO 0.03 0.23 0.00 1.79 -0.57 0.00 0.00 179.45 180.94 3i5m h THR 208 N 0.37 0.00 0.00 -0.16 1.35 -0.67 -3.35 112.91 110.45 3i5m h THR 208 Ca 0.22 -0.10 -0.05 0.00 -0.55 0.00 0.00 66.41 65.93 3i5m h THR 208 Cb 0.20 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 3i5m h THR 208 CO -0.21 0.00 -0.22 -0.37 -0.25 0.00 0.00 175.52 174.47 3i5m h VAL 209 N 0.00 0.81 0.00 6.82 -1.51 -1.56 -3.10 116.25 117.71 3i5m h VAL 209 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3i5m h VAL 209 Cb 0.12 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3i5m h VAL 209 CO 0.00 0.22 -0.23 -0.90 -1.23 0.00 0.00 177.57 175.43 3i5m n ASP 210 N -3.77 0.79 -4.69 4.19 5.75 -1.25 -4.77 116.55 112.80 3i5m n ASP 210 Ca -0.01 -2.08 -0.42 0.00 -0.01 0.00 0.00 54.79 52.26 3i5m n ASP 210 Cb 0.33 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 3i5m n ASP 210 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i5m s ASP 211 N -1.28 7.07 0.32 -1.12 -1.08 -1.17 -4.94 116.67 114.46 3i5m s ASP 211 Ca 0.08 1.78 0.00 0.00 -0.52 0.00 0.00 52.55 53.89 3i5m s ASP 211 Cb 0.07 -2.56 0.52 0.00 -1.46 0.00 0.00 42.92 39.49 3i5m s ASP 211 CO 0.01 -0.57 1.95 1.62 0.52 0.00 0.00 175.17 178.69 3i5m h VAL 212 N 5.04 1.19 0.00 1.11 3.04 -1.95 -2.41 116.25 122.27 3i5m h VAL 212 Ca -0.33 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3i5m h VAL 212 Cb 1.16 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3i5m h VAL 212 CO 0.88 0.21 0.00 0.54 -1.01 0.00 0.00 177.57 178.19 3i5m n ARG 213 N -4.38 0.06 -0.21 4.17 1.74 -1.26 -1.91 116.66 114.86 3i5m n ARG 213 Ca 0.06 0.36 0.08 0.00 -0.77 0.00 0.00 57.85 57.58 3i5m n ARG 213 Cb 0.09 -1.63 0.19 0.00 -1.02 0.00 0.00 32.46 30.09 3i5m n ARG 213 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i5m n THR 214 N -1.75 0.89 -2.10 0.55 -2.24 -0.91 -4.92 114.28 103.81 3i5m n THR 214 Ca 0.02 -0.95 -0.42 0.00 -2.27 0.00 0.00 64.05 60.43 3i5m n THR 214 Cb 0.15 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3i5m n THR 214 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i5m s LEU 215 N -1.03 4.30 -1.45 3.22 2.96 -0.80 -3.17 118.68 122.71 3i5m s LEU 215 Ca 0.30 2.15 -0.04 0.00 -0.22 0.00 0.00 54.13 56.32 3i5m s LEU 215 Cb 0.16 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.31 3i5m s LEU 215 CO 0.21 -0.86 0.49 0.59 -1.32 0.00 0.00 176.35 175.46 3i5m n ASN 216 N 6.63 -5.73 -4.39 3.68 3.02 0.25 -5.00 115.26 113.72 3i5m n ASN 216 Ca 0.16 -0.23 -0.23 0.00 -0.03 0.00 0.00 54.58 54.24 3i5m n ASN 216 Cb 0.43 -4.58 -0.11 0.00 -0.61 0.00 0.00 39.78 34.91 3i5m n ASN 216 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3i5m s LYS 217 N -5.52 1.44 -0.10 3.52 -0.14 -1.19 -4.96 119.74 112.79 3i5m s LYS 217 Ca 0.24 -1.54 -0.25 0.00 -1.36 0.00 0.00 55.97 53.06 3i5m s LYS 217 Cb -0.11 -1.54 -0.03 0.00 -1.68 0.00 0.00 37.83 34.47 3i5m s LYS 217 CO 0.30 0.31 0.78 -1.12 -0.76 0.00 0.00 175.35 174.86 3i5m s SER 218 N -2.94 7.01 -0.35 2.83 0.01 -0.63 -1.56 113.70 118.08 3i5m s SER 218 Ca 0.21 1.23 -0.14 0.00 1.31 0.00 0.00 55.95 58.56 3i5m s SER 218 Cb -0.06 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 3i5m s SER 218 CO 0.09 -0.25 0.28 -0.69 0.41 0.00 0.00 173.24 173.09 3i5m s VAL 219 N 1.38 5.25 -0.19 3.43 1.01 0.38 -1.41 120.40 130.24 3i5m s VAL 219 Ca 0.39 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 3i5m s VAL 219 Cb -0.18 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3i5m s VAL 219 CO 0.17 -0.05 0.11 -1.00 0.00 0.00 0.00 175.10 174.32 3i5m s HIS 220 N 1.80 3.35 -0.56 5.22 3.76 0.28 -0.40 115.29 128.74 3i5m s HIS 220 Ca 0.08 0.24 -0.24 0.00 -0.15 0.00 0.00 55.06 54.98 3i5m s HIS 220 Cb -0.17 -2.13 0.05 0.00 1.11 0.00 0.00 32.58 31.43 3i5m s HIS 220 CO 0.11 0.23 0.93 -0.06 -0.85 0.00 0.00 174.74 175.10 3i5m s PHE 221 N 0.39 2.79 -0.55 1.40 0.40 -0.98 -1.47 117.98 119.96 3i5m s PHE 221 Ca 0.06 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.34 3i5m s PHE 221 Cb -0.12 -4.07 0.28 0.00 0.51 0.00 0.00 43.02 39.63 3i5m s PHE 221 CO -0.01 -1.37 0.76 0.54 0.70 0.00 0.00 175.22 175.83 3i5m n ARG 222 N 7.42 2.20 -2.46 0.44 1.74 -1.26 -4.76 116.66 119.97 3i5m n ARG 222 Ca 0.00 -4.30 -0.43 0.00 -0.77 0.00 0.00 57.85 52.35 3i5m n ARG 222 Cb 0.47 -1.99 -0.02 0.00 -1.02 0.00 0.00 32.46 29.90 3i5m n ARG 222 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i5m s PRO 223 N -2.49 4.26 0.45 5.56 0.04 -1.26 -4.87 135.00 136.69 3i5m s PRO 223 Ca 0.41 1.62 0.15 0.00 0.04 0.00 0.00 61.00 63.23 3i5m s PRO 223 Cb 0.21 -3.71 1.08 0.00 0.04 0.00 0.00 34.50 32.12 3i5m s PRO 223 CO -0.07 -0.64 1.98 0.66 0.04 0.00 0.00 177.00 178.97 3i5m h SER 224 N 7.96 0.32 1.03 6.66 4.64 -1.97 -1.69 113.55 130.50 3i5m h SER 224 Ca -0.27 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 3i5m h SER 224 Cb 1.11 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3i5m h SER 224 CO 0.95 0.19 -0.17 0.00 -0.87 0.00 0.00 176.83 176.93 3i5m n ASN 226 N -3.30 4.08 -4.48 0.00 3.02 -0.66 -4.82 115.26 109.11 3i5m n ASN 226 Ca 0.01 -2.50 -0.43 0.00 -0.03 0.00 0.00 54.58 51.63 3i5m n ASN 226 Cb 0.42 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 3i5m n ASN 226 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i5m s LEU 228 N 4.20 2.30 0.46 0.00 1.43 -0.14 -4.87 118.68 122.05 3i5m s LEU 228 Ca 0.25 -0.64 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 3i5m s LEU 228 Cb -0.15 -0.22 0.02 0.00 0.03 0.00 0.00 46.19 45.86 3i5m s LEU 228 CO 0.12 -0.22 0.63 0.54 0.23 0.00 0.00 176.35 177.65 3i5m s ASN 229 N -1.85 5.56 0.47 2.29 2.20 -1.26 0.20 114.94 122.55 3i5m s ASN 229 Ca -0.05 -0.29 0.13 0.00 -0.94 0.00 0.00 52.86 51.72 3i5m s ASN 229 Cb -0.08 -0.75 1.09 0.00 -2.00 0.00 0.00 41.25 39.52 3i5m s ASN 229 CO 0.00 -0.86 2.08 0.16 -2.94 0.00 0.00 177.10 175.54 3i5m h ILE 230 N 0.48 1.06 -0.38 0.54 -0.00 -1.78 0.04 117.51 117.47 3i5m h ILE 230 Ca -0.41 -0.22 -0.03 0.00 -0.00 0.00 0.00 64.86 64.20 3i5m h ILE 230 Cb 1.28 0.97 -0.02 0.00 -0.00 0.00 0.00 36.82 39.06 3i5m h ILE 230 CO 0.47 0.07 0.12 0.78 -0.00 0.00 0.00 178.15 179.60 3i5m h ASN 231 N 0.14 0.55 -0.75 2.16 2.35 -1.95 0.23 115.58 118.32 3i5m h ASN 231 Ca 0.04 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.53 3i5m h ASN 231 Cb 0.08 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3i5m h ASN 231 CO -0.00 0.61 0.27 -0.33 -1.65 0.00 0.00 177.43 176.32 3i5m h GLU 232 N 0.46 1.14 -0.22 0.81 5.08 -1.70 -0.85 114.58 119.30 3i5m h GLU 232 Ca 0.12 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 3i5m h GLU 232 Cb 0.26 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3i5m h GLU 232 CO -0.00 0.95 -0.47 1.25 -1.00 0.00 0.00 179.01 179.74 3i5m h LEU 233 N 1.10 0.63 -0.27 1.33 5.85 -0.75 -1.90 115.31 121.29 3i5m h LEU 233 Ca 0.25 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3i5m h LEU 233 Cb 0.26 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3i5m h LEU 233 CO -0.01 1.01 0.11 0.00 -0.34 0.00 0.00 178.44 179.20 3i5m h ALA 234 N 1.02 0.35 -0.83 1.25 0.00 -0.16 -2.88 119.26 118.00 3i5m h ALA 234 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3i5m h ALA 234 Cb 1.00 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3i5m h ALA 234 CO 0.09 -0.06 0.53 0.77 0.00 0.00 0.00 179.25 180.59 3i5m h SER 235 N 0.29 0.87 -0.13 0.00 0.02 -0.85 -1.64 113.55 112.10 3i5m h SER 235 Ca 0.09 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3i5m h SER 235 Cb 0.17 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 3i5m h SER 235 CO -0.01 0.59 -0.18 0.58 -1.14 0.00 0.00 176.83 176.67 3i5m h VAL 236 N 1.02 0.54 -0.78 2.27 2.07 -1.33 -2.27 116.25 117.76 3i5m h VAL 236 Ca 0.34 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.97 3i5m h VAL 236 Cb 0.05 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3i5m h VAL 236 CO -0.13 0.00 0.51 -0.25 0.02 0.00 0.00 177.57 177.72 3i5m h TRP 237 N -0.23 0.73 -0.37 1.57 -0.00 -1.15 -2.38 115.95 114.13 3i5m h TRP 237 Ca 0.10 0.02 -0.14 0.00 -0.00 0.00 0.00 58.89 58.87 3i5m h TRP 237 Cb 0.37 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 3i5m h TRP 237 CO -0.29 0.33 -0.33 0.93 -0.00 0.00 0.00 178.44 179.07 3i5m h GLU 238 N 0.67 0.84 -0.74 2.65 5.08 -0.80 -2.24 114.58 120.03 3i5m h GLU 238 Ca 0.37 -0.40 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3i5m h GLU 238 Cb 0.52 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 3i5m h GLU 238 CO -0.14 1.04 0.41 0.87 -1.00 0.00 0.00 179.01 180.19 3i5m h LYS 239 N 0.70 0.70 -0.59 2.33 6.56 -0.93 0.38 116.57 125.71 3i5m h LYS 239 Ca 0.07 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.55 3i5m h LYS 239 Cb 0.89 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 32.37 3i5m h LYS 239 CO 0.08 0.46 0.11 0.87 -2.06 0.00 0.00 179.45 178.91 3i5m h LYS 240 N 0.72 0.95 0.00 3.15 1.79 -1.14 -3.05 116.57 118.98 3i5m h LYS 240 Ca 0.35 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3i5m h LYS 240 Cb 0.29 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3i5m h LYS 240 CO -0.23 0.87 -1.07 0.44 -1.08 0.00 0.00 179.45 178.38 3i5m n ILE 241 N -4.24 0.02 -0.89 1.86 -5.35 -0.87 -4.99 119.36 104.90 3i5m n ILE 241 Ca 0.04 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3i5m n ILE 241 Cb 0.26 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 3i5m n ILE 241 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i5m n GLY 242 N 1.46 0.62 3.34 3.28 0.00 0.13 -5.01 105.19 109.01 3i5m n GLY 242 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3i5m n GLY 242 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i5m s ARG 243 N -0.11 1.08 -0.10 1.61 1.70 -1.09 -5.01 118.95 117.03 3i5m s ARG 243 Ca 0.00 -0.57 -0.17 0.00 -0.47 0.00 0.00 55.73 54.52 3i5m s ARG 243 Cb 0.00 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 3i5m s ARG 243 CO 0.00 -0.42 0.44 0.95 -1.08 0.00 0.00 175.30 175.18 3i5m s THR 244 N -3.47 5.18 0.12 4.99 -4.23 -1.26 -4.63 115.64 112.33 3i5m s THR 244 Ca 0.01 0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 61.38 3i5m s THR 244 Cb 0.01 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 3i5m s THR 244 CO -0.10 0.38 0.28 -0.76 -0.54 0.00 0.00 174.62 173.88 3i5m s LEU 245 N 0.31 4.32 0.69 4.79 1.43 -1.26 -5.10 118.68 123.86 3i5m s LEU 245 Ca 0.24 0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.49 3i5m s LEU 245 Cb -0.15 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.04 3i5m s LEU 245 CO 0.10 0.09 1.27 -2.84 0.23 0.00 0.00 176.35 175.20 3i5m s PRO 246 N -2.82 2.34 -0.18 1.29 0.02 -1.26 -4.73 135.00 129.65 3i5m s PRO 246 Ca 0.36 1.98 -0.00 0.00 0.02 0.00 0.00 61.00 63.36 3i5m s PRO 246 Cb -0.12 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.58 3i5m s PRO 246 CO 0.28 -1.74 -0.16 1.03 -0.33 0.00 0.00 177.00 176.08 3i5m s ARG 247 N -3.57 3.14 0.06 5.54 0.52 -1.26 0.76 118.95 124.14 3i5m s ARG 247 Ca 0.80 -0.77 0.05 0.00 -0.52 0.00 0.00 55.73 55.29 3i5m s ARG 247 Cb -0.35 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 3i5m s ARG 247 CO 0.42 -0.12 -0.05 0.14 0.02 0.00 0.00 175.30 175.71 3i5m s VAL 248 N 1.15 3.72 -0.10 3.52 -7.23 0.21 -4.94 120.40 116.73 3i5m s VAL 248 Ca 0.01 -0.99 -0.24 0.00 -1.81 0.00 0.00 61.98 58.95 3i5m s VAL 248 Cb -0.14 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 3i5m s VAL 248 CO -0.06 0.21 0.76 -0.89 -0.31 0.00 0.00 175.10 174.81 3i5m s THR 249 N -1.18 4.98 -0.20 5.32 2.01 -1.26 0.11 115.64 125.43 3i5m s THR 249 Ca 0.22 1.54 -0.08 0.00 0.31 0.00 0.00 61.69 63.68 3i5m s THR 249 Cb -0.11 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3i5m s THR 249 CO 0.13 0.17 0.07 -0.69 -0.69 0.00 0.00 174.62 173.61 3i5m s VAL 250 N 1.28 4.76 0.51 3.82 1.01 0.59 -4.88 120.40 127.48 3i5m s VAL 250 Ca 0.39 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 3i5m s VAL 250 Cb -0.18 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3i5m s VAL 250 CO 0.17 0.43 0.82 0.42 0.00 0.00 0.00 175.10 176.95 3i5m s THR 251 N 0.61 4.61 0.23 3.92 -4.23 -1.26 -1.33 115.64 118.19 3i5m s THR 251 Ca 0.04 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 60.66 3i5m s THR 251 Cb -0.13 -3.77 0.19 0.00 1.34 0.00 0.00 72.50 70.13 3i5m s THR 251 CO 0.01 -0.78 1.71 -0.08 -0.54 0.00 0.00 174.62 174.95 3i5m h GLU 252 N 0.11 0.33 -0.58 3.99 4.81 -1.97 -1.53 114.58 119.74 3i5m h GLU 252 Ca -0.46 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 3i5m h GLU 252 Cb 1.22 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3i5m h GLU 252 CO 0.61 0.22 0.39 -0.44 -0.73 0.00 0.00 179.01 179.06 3i5m h ASP 253 N 0.34 0.67 -0.32 1.04 5.19 -1.98 0.32 116.42 121.67 3i5m h ASP 253 Ca 0.36 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 3i5m h ASP 253 Cb 0.55 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 3i5m h ASP 253 CO -0.41 0.48 0.18 0.44 -3.12 0.00 0.00 179.24 176.81 3i5m h ASP 254 N 0.79 0.40 -0.13 6.45 3.32 -1.68 -1.55 116.42 124.01 3i5m h ASP 254 Ca 0.21 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3i5m h ASP 254 Cb -0.09 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3i5m h ASP 254 CO -0.05 0.37 0.04 -0.07 -1.72 0.00 0.00 179.24 177.81 3i5m h LEU 255 N 0.40 0.20 -1.33 1.55 3.38 -0.53 -2.74 115.31 116.24 3i5m h LEU 255 Ca 0.11 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3i5m h LEU 255 Cb 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3i5m h LEU 255 CO -0.02 0.37 0.47 -0.07 0.09 0.00 0.00 178.44 179.28 3i5m h LEU 256 N 0.02 0.76 -1.05 1.67 3.38 -0.22 -1.37 115.31 118.50 3i5m h LEU 256 Ca 0.04 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3i5m h LEU 256 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3i5m h LEU 256 CO -0.00 0.52 -0.29 0.00 0.09 0.00 0.00 178.44 178.76 3i5m h ALA 257 N 1.58 1.20 0.03 1.53 0.00 -1.16 0.54 119.26 122.98 3i5m h ALA 257 Ca 0.28 -0.34 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 3i5m h ALA 257 Cb 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i5m h ALA 257 CO -0.08 0.52 -1.02 0.00 0.00 0.00 0.00 179.25 178.67 3i5m h ALA 258 N 1.42 0.26 -0.52 0.00 0.00 -1.05 -3.16 119.26 116.21 3i5m h ALA 258 Ca 0.04 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 3i5m h ALA 258 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3i5m h ALA 258 CO 0.05 0.81 0.10 0.00 0.00 0.00 0.00 179.25 180.20 3i5m h ALA 259 N 0.63 0.69 0.00 0.00 0.00 -1.10 -3.10 119.26 116.37 3i5m h ALA 259 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i5m h ALA 259 Cb 1.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3i5m h ALA 259 CO 0.18 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.25 3i5m n GLY 260 N -0.56 -0.50 0.01 0.00 0.00 0.17 -2.27 105.19 102.04 3i5m n GLY 260 Ca 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3i5m n GLY 260 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5m n GLU 261 N -1.38 0.02 -3.90 1.61 -0.58 -1.17 -4.99 120.64 110.25 3i5m n GLU 261 Ca 0.01 0.01 -0.32 0.00 -0.42 0.00 0.00 57.16 56.44 3i5m n GLU 261 Cb 0.03 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 3i5m n GLU 261 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3i5m n ASN 262 N -1.55 -2.74 -4.31 1.62 3.02 -0.96 -4.96 115.26 105.38 3i5m n ASN 262 Ca 0.06 -1.09 -0.37 0.00 -0.03 0.00 0.00 54.58 53.15 3i5m n ASN 262 Cb 0.34 -2.81 -0.13 0.00 -0.61 0.00 0.00 39.78 36.57 3i5m n ASN 262 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i5m s ILE 263 N -3.74 3.82 -0.21 2.41 1.01 -1.26 -5.00 121.20 118.24 3i5m s ILE 263 Ca 0.26 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 3i5m s ILE 263 Cb -0.11 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3i5m s ILE 263 CO 0.90 -0.00 0.63 -0.63 0.00 0.00 0.00 174.94 175.84 3i5m s ILE 264 N 1.45 5.01 -1.53 2.92 -1.09 -1.26 -0.09 121.20 126.61 3i5m s ILE 264 Ca 0.01 1.18 0.13 0.00 -2.23 0.00 0.00 60.65 59.74 3i5m s ILE 264 Cb -0.18 -3.94 0.17 0.00 -1.58 0.00 0.00 42.46 36.93 3i5m s ILE 264 CO 0.02 0.10 1.02 -0.81 -1.23 0.00 0.00 174.94 174.04 3i5m n PRO 265 N 5.15 1.37 -0.31 2.79 -0.04 -1.26 -4.98 135.00 137.72 3i5m n PRO 265 Ca -0.01 -1.52 0.03 0.00 -0.04 0.00 0.00 63.50 61.96 3i5m n PRO 265 Cb 0.50 -1.27 0.11 0.00 -0.04 0.00 0.00 33.50 32.79 3i5m n PRO 265 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3i5m h GLN 266 N 2.58 -0.01 -0.25 0.54 7.50 -1.63 -1.83 115.11 122.01 3i5m h GLN 266 Ca 0.00 0.00 0.03 0.00 0.50 0.00 0.00 58.65 59.18 3i5m h GLN 266 Cb 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 3i5m h GLN 266 CO 0.00 -0.00 0.17 0.77 -1.50 0.00 0.00 178.83 178.27 3i5m h SER 267 N -0.01 0.19 -0.10 1.46 0.02 -0.72 -3.02 113.55 111.38 3i5m h SER 267 Ca 0.41 -0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.14 3i5m h SER 267 Cb 0.63 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.14 3i5m h SER 267 CO -0.89 0.13 -0.78 0.58 -1.14 0.00 0.00 176.83 174.73 3i5m h VAL 268 N 0.23 1.30 -0.74 2.27 2.07 -1.51 -2.60 116.25 117.27 3i5m h VAL 268 Ca 0.10 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.58 3i5m h VAL 268 Cb 0.14 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3i5m h VAL 268 CO -0.02 0.63 0.36 0.58 0.02 0.00 0.00 177.57 179.14 3i5m h VAL 269 N 0.39 1.23 -0.44 2.57 2.07 -1.49 -2.21 116.25 118.38 3i5m h VAL 269 Ca -0.07 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 3i5m h VAL 269 Cb 1.43 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3i5m h VAL 269 CO 0.16 0.27 0.08 0.00 0.02 0.00 0.00 177.57 178.11 3i5m h ALA 270 N 1.35 1.33 -0.67 1.67 0.00 -1.47 -1.11 119.26 120.36 3i5m h ALA 270 Ca 0.26 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3i5m h ALA 270 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3i5m h ALA 270 CO -0.03 0.47 0.09 0.00 0.00 0.00 0.00 179.25 179.78 3i5m h ALA 271 N 1.45 0.89 -0.39 0.00 0.00 -1.01 -2.56 119.26 117.64 3i5m h ALA 271 Ca 0.14 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3i5m h ALA 271 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i5m h ALA 271 CO 0.00 0.67 -0.35 0.74 0.00 0.00 0.00 179.25 180.32 3i5m h PHE 272 N 1.04 1.07 -0.76 0.00 0.04 -0.99 -1.62 116.94 115.72 3i5m h PHE 272 Ca 0.20 -0.31 0.01 0.00 2.80 0.00 0.00 57.97 60.67 3i5m h PHE 272 Cb 0.47 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 3i5m h PHE 272 CO 0.03 1.12 0.50 1.15 -0.60 0.00 0.00 178.31 180.52 3i5m h THR 273 N 0.75 1.20 -0.33 -1.55 2.02 -1.16 0.14 112.91 113.98 3i5m h THR 273 Ca 0.07 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 3i5m h THR 273 Cb 0.93 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3i5m h THR 273 CO 0.09 0.19 -0.20 -0.74 0.37 0.00 0.00 175.52 175.23 3i5m h HIS 274 N 1.04 0.70 -0.08 3.16 -0.00 -1.19 -1.64 115.15 117.14 3i5m h HIS 274 Ca 0.28 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 3i5m h HIS 274 Cb -0.12 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.12 3i5m h HIS 274 CO 0.00 0.78 -0.09 0.22 -0.00 0.00 0.00 177.93 178.84 3i5m h ASP 275 N 0.56 0.21 0.34 3.26 3.58 -0.06 -2.22 116.42 122.08 3i5m h ASP 275 Ca 0.09 -0.50 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 3i5m h ASP 275 Cb 0.65 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.64 3i5m h ASP 275 CO 0.05 0.66 -0.16 0.40 -2.88 0.00 0.00 179.24 177.31 3i5m h ILE 276 N -0.24 0.55 0.00 2.25 2.04 -0.83 -1.79 117.51 119.50 3i5m h ILE 276 Ca 0.01 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3i5m h ILE 276 Cb 0.61 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3i5m h ILE 276 CO 0.02 0.11 -1.16 0.49 0.00 0.00 0.00 178.15 177.61 3i5m n PHE 277 N -5.12 0.44 -0.11 1.37 3.72 -0.62 -1.31 117.46 115.85 3i5m n PHE 277 Ca -0.09 0.13 -0.17 0.00 -0.05 0.00 0.00 57.45 57.27 3i5m n PHE 277 Cb 0.27 -0.61 -0.06 0.00 -0.94 0.00 0.00 39.48 38.14 3i5m n PHE 277 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3i5m n ILE 278 N -2.23 1.50 1.05 4.37 2.08 -1.07 -4.61 119.36 120.45 3i5m n ILE 278 Ca 0.00 -0.05 0.12 0.00 0.56 0.00 0.00 62.75 63.39 3i5m n ILE 278 Cb 0.49 -2.15 0.22 0.00 -0.75 0.00 0.00 39.64 37.45 3i5m n ILE 278 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3i5m n LYS 279 N -4.41 0.20 -2.85 0.38 5.02 -0.86 -4.99 118.16 110.65 3i5m n LYS 279 Ca -0.29 -0.13 -0.18 0.00 -2.02 0.00 0.00 58.31 55.69 3i5m n LYS 279 Cb 0.62 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.16 3i5m n LYS 279 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i5m n GLY 280 N 1.47 -0.26 0.28 0.72 0.00 -0.42 -4.92 105.19 102.05 3i5m n GLY 280 Ca 0.07 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3i5m n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5m h GLN 282 N 0.29 0.00 0.00 0.00 4.20 -1.85 -3.32 115.11 114.43 3i5m h GLN 282 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3i5m h GLN 282 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3i5m h GLN 282 CO -0.01 0.10 0.00 1.33 -0.67 0.00 0.00 178.83 179.58 3i5m n VAL 283 N -4.19 0.10 0.88 -0.54 0.24 -0.88 -4.79 118.33 109.15 3i5m n VAL 283 Ca -0.03 -0.42 0.04 0.00 -2.04 0.00 0.00 64.34 61.89 3i5m n VAL 283 Cb 0.18 1.18 0.13 0.00 -1.47 0.00 0.00 33.84 33.86 3i5m n VAL 283 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3i5m n ASN 284 N -0.05 1.86 -4.04 -1.34 6.94 -0.80 -4.83 115.26 112.99 3i5m n ASN 284 Ca 0.00 -2.10 -0.18 0.00 -0.02 0.00 0.00 54.58 52.28 3i5m n ASN 284 Cb 0.10 -0.29 -0.14 0.00 -2.36 0.00 0.00 39.78 37.08 3i5m n ASN 284 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3i5m s PHE 285 N -1.64 0.83 0.48 -2.53 -0.71 -1.26 -5.10 117.98 108.05 3i5m s PHE 285 Ca 0.19 -0.23 -0.21 0.00 -1.04 0.00 0.00 56.93 55.65 3i5m s PHE 285 Cb 0.11 -0.52 -0.08 0.00 -1.21 0.00 0.00 43.02 41.32 3i5m s PHE 285 CO 0.11 -0.01 1.06 0.45 -1.34 0.00 0.00 175.22 175.49 3i5m s SER 286 N -0.55 6.30 -0.15 1.98 0.15 -1.26 -5.00 113.70 115.17 3i5m s SER 286 Ca 0.01 2.01 0.17 0.00 0.70 0.00 0.00 55.95 58.85 3i5m s SER 286 Cb -0.05 -2.57 0.34 0.00 -1.71 0.00 0.00 66.02 62.03 3i5m s SER 286 CO 0.00 -0.81 1.19 2.30 1.20 0.00 0.00 173.24 177.12 3i5m n ILE 287 N -0.84 1.99 0.98 6.45 -5.35 -1.26 -4.70 119.36 116.63 3i5m n ILE 287 Ca 0.09 -2.39 0.12 0.00 -0.27 0.00 0.00 62.75 60.29 3i5m n ILE 287 Cb 0.51 -0.24 0.56 0.00 -1.74 0.00 0.00 39.64 38.73 3i5m n ILE 287 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3i5m n ASP 288 N -1.30 0.00 -4.34 7.28 9.92 -1.26 -4.59 116.55 122.26 3i5m n ASP 288 Ca 0.17 0.22 -0.29 0.00 -0.53 0.00 0.00 54.79 54.36 3i5m n ASP 288 Cb 0.68 -0.39 0.20 0.00 -0.64 0.00 0.00 41.12 40.97 3i5m n ASP 288 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3i5m s GLY 289 N -2.78 1.57 0.02 0.44 0.00 -1.26 -4.99 107.32 100.31 3i5m s GLY 289 Ca 0.17 -0.61 0.27 0.00 0.00 0.00 0.00 44.72 44.55 3i5m s GLY 289 CO 0.40 0.12 1.64 -1.55 0.00 0.00 0.00 173.10 173.71 3i5m n PRO 290 N -4.42 0.04 -0.16 2.90 -0.04 -1.26 -3.67 135.00 128.39 3i5m n PRO 290 Ca 0.08 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 3i5m n PRO 290 Cb 0.58 -1.53 0.19 0.00 -0.04 0.00 0.00 33.50 32.71 3i5m n PRO 290 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i5m n GLU 291 N -1.58 2.47 -4.92 0.54 1.02 -1.26 -4.92 120.64 111.98 3i5m n GLU 291 Ca 0.06 -2.23 -0.27 0.00 -0.02 0.00 0.00 57.16 54.70 3i5m n GLU 291 Cb 0.35 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 3i5m n GLU 291 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i5m s ASP 292 N -1.57 2.31 0.07 1.62 1.01 -1.24 -1.60 116.67 117.27 3i5m s ASP 292 Ca 0.37 -0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.27 3i5m s ASP 292 Cb 0.22 -0.54 -0.03 0.00 1.01 0.00 0.00 42.92 43.58 3i5m s ASP 292 CO 0.31 0.19 -0.07 0.68 0.21 0.00 0.00 175.17 176.49 3i5m s VAL 293 N -0.12 0.59 -0.10 -1.27 -7.23 -0.50 -4.72 120.40 107.05 3i5m s VAL 293 Ca -0.01 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3i5m s VAL 293 Cb -0.11 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 3i5m s VAL 293 CO 0.02 -0.67 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.29 3i5m s GLU 294 N -2.85 3.05 0.20 4.82 -6.30 -1.26 -0.56 118.70 115.81 3i5m s GLU 294 Ca 0.02 -0.71 -0.11 0.00 -2.50 0.00 0.00 54.97 51.67 3i5m s GLU 294 Cb -0.01 -2.51 0.27 0.00 0.00 0.00 0.00 34.13 31.88 3i5m s GLU 294 CO -0.03 0.35 1.71 -0.39 0.02 0.00 0.00 175.26 176.92 3i5m h VAL 295 N 5.08 0.68 0.00 3.70 -1.51 -1.63 -2.11 116.25 120.46 3i5m h VAL 295 Ca -0.32 -0.09 -0.03 0.00 -1.23 0.00 0.00 66.70 65.03 3i5m h VAL 295 Cb 1.19 0.38 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3i5m h VAL 295 CO 0.53 0.05 -0.14 0.71 -1.23 0.00 0.00 177.57 177.49 3i5m h THR 296 N 0.27 0.86 0.00 7.19 1.35 -1.86 -1.40 112.91 119.32 3i5m h THR 296 Ca 0.30 -0.51 -0.06 0.00 -0.55 0.00 0.00 66.41 65.58 3i5m h THR 296 Cb 0.42 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3i5m h THR 296 CO -0.37 0.13 -0.79 0.71 -0.25 0.00 0.00 175.52 174.95 3i5m h THR 297 N 0.00 0.30 0.01 6.82 1.35 -1.84 -3.22 112.91 116.33 3i5m h THR 297 Ca -0.00 -1.50 -0.19 0.00 -0.55 0.00 0.00 66.41 64.16 3i5m h THR 297 Cb 0.29 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 3i5m h THR 297 CO 0.02 0.17 -0.88 -0.07 -0.25 0.00 0.00 175.52 174.51 3i5m h LEU 298 N 0.00 0.18 -6.51 3.87 3.38 -0.81 -3.38 115.31 112.04 3i5m h LEU 298 Ca -0.04 -0.15 -0.60 0.00 0.09 0.00 0.00 57.88 57.18 3i5m h LEU 298 Cb 1.23 -0.05 -0.41 0.00 0.09 0.00 0.00 40.66 41.51 3i5m h LEU 298 CO 0.03 0.97 -0.72 -1.22 0.09 0.00 0.00 178.44 177.59 3i5m n TYR 299 N -3.61 2.22 -2.03 1.13 4.01 -0.58 -5.11 117.16 113.19 3i5m n TYR 299 Ca -0.03 -4.00 -0.35 0.00 -0.16 0.00 0.00 57.90 53.36 3i5m n TYR 299 Cb 0.82 -0.42 0.03 0.00 -0.31 0.00 0.00 39.34 39.45 3i5m n TYR 299 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3i5m s PRO 300 N -1.54 3.04 -1.34 -0.72 0.04 -1.21 -3.49 135.00 129.78 3i5m s PRO 300 Ca 0.33 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 3i5m s PRO 300 Cb 0.07 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3i5m s PRO 300 CO -0.11 -1.12 0.48 -0.85 0.04 0.00 0.00 177.00 175.44 3i5m n GLU 301 N -1.66 -3.96 -3.60 4.56 -0.00 -1.26 -4.99 120.64 109.72 3i5m n GLU 301 Ca 0.12 0.78 -0.29 0.00 -0.00 0.00 0.00 57.16 57.78 3i5m n GLU 301 Cb 0.50 -5.35 -0.15 0.00 -0.00 0.00 0.00 31.44 26.44 3i5m n GLU 301 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3i5m s ASP 302 N -2.71 3.37 0.17 -1.84 -1.08 -1.23 -5.13 116.67 108.22 3i5m s ASP 302 Ca 0.24 -1.19 -0.30 0.00 -0.52 0.00 0.00 52.55 50.77 3i5m s ASP 302 Cb -0.10 -0.44 -0.07 0.00 -1.46 0.00 0.00 42.92 40.84 3i5m s ASP 302 CO 0.29 -0.41 0.98 -0.44 0.52 0.00 0.00 175.17 176.12 3i5m s SER 303 N 2.00 7.50 0.73 -0.34 0.01 -1.26 -5.01 113.70 117.33 3i5m s SER 303 Ca 0.07 1.92 -0.11 0.00 1.31 0.00 0.00 55.95 59.14 3i5m s SER 303 Cb -0.16 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.49 3i5m s SER 303 CO -0.28 -0.02 1.07 -0.36 0.41 0.00 0.00 173.24 174.07 3i5m s PHE 304 N -0.50 2.94 0.09 2.43 0.08 -1.26 -5.04 117.98 116.72 3i5m s PHE 304 Ca 0.45 1.43 -0.29 0.00 0.12 0.00 0.00 56.93 58.64 3i5m s PHE 304 Cb -0.26 -2.95 -0.05 0.00 -0.57 0.00 0.00 43.02 39.19 3i5m s PHE 304 CO 0.32 -1.44 0.94 1.03 -0.10 0.00 0.00 175.22 175.96 3i5m s ARG 305 N -5.01 4.66 0.55 0.44 0.52 -1.26 -5.06 118.95 113.79 3i5m s ARG 305 Ca 0.59 1.40 -0.17 0.00 -0.52 0.00 0.00 55.73 57.03 3i5m s ARG 305 Cb -0.15 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 31.88 3i5m s ARG 305 CO 0.55 0.19 1.04 0.95 0.02 0.00 0.00 175.30 178.05 3i5m s THR 306 N 0.12 3.94 0.31 0.02 -4.23 -1.26 -4.64 115.64 109.90 3i5m s THR 306 Ca 0.46 1.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.98 3i5m s THR 306 Cb -0.23 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.43 3i5m s THR 306 CO 0.29 -0.46 1.95 0.58 -0.54 0.00 0.00 174.62 176.43 3i5m h VAL 307 N 0.85 1.12 -0.68 2.29 2.07 -1.91 -0.21 116.25 119.78 3i5m h VAL 307 Ca -0.48 -0.35 0.15 0.00 0.82 0.00 0.00 66.70 66.85 3i5m h VAL 307 Cb 1.21 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.89 3i5m h VAL 307 CO 0.59 0.18 0.02 -0.33 0.02 0.00 0.00 177.57 178.05 3i5m h GLU 308 N 1.01 0.12 0.00 1.57 3.07 -1.96 0.35 114.58 118.74 3i5m h GLU 308 Ca 0.34 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.99 3i5m h GLU 308 Cb 0.07 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 3i5m h GLU 308 CO -0.10 0.08 -1.03 1.05 -1.40 0.00 0.00 179.01 177.61 3i5m h GLU 309 N 0.13 0.00 0.21 2.33 4.11 -1.72 -0.08 114.58 119.56 3i5m h GLU 309 Ca 0.37 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 3i5m h GLU 309 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3i5m h GLU 309 CO -0.58 0.82 -0.10 0.00 0.07 0.00 0.00 179.01 179.22 3i5m h PHE 311 N -0.46 1.14 -1.00 0.00 -1.00 -0.40 -2.75 116.94 112.48 3i5m h PHE 311 Ca -0.03 -0.01 0.17 0.00 2.81 0.00 0.00 57.97 60.91 3i5m h PHE 311 Cb 0.35 -0.37 -0.17 0.00 3.61 0.00 0.00 35.95 39.37 3i5m h PHE 311 CO -0.01 0.77 -0.35 0.41 -1.61 0.00 0.00 178.31 177.53 3i5m n GLY 312 N -1.18 -1.94 0.11 -1.45 0.00 -0.04 -0.65 105.19 100.03 3i5m n GLY 312 Ca 0.09 1.10 0.13 0.00 0.00 0.00 0.00 46.02 47.33 3i5m n GLY 312 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i5m n GLU 313 N -5.52 0.22 0.25 1.61 0.28 -1.02 -2.61 120.64 113.85 3i5m n GLU 313 Ca 0.12 0.27 0.17 0.00 -0.16 0.00 0.00 57.16 57.56 3i5m n GLU 313 Cb 0.43 -1.80 0.69 0.00 1.43 0.00 0.00 31.44 32.18 3i5m n GLU 313 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 3i5m h TYR 314 N 0.00 0.00 0.00 -1.84 0.05 -0.77 -2.54 116.97 111.87 3i5m h TYR 314 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3i5m h TYR 314 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 3i5m h TYR 314 CO 0.00 0.00 0.00 -0.89 -1.05 0.00 0.00 178.16 176.22 3i5m n ILE 315 N -2.92 0.60 -2.29 -2.88 -0.00 -1.07 -4.73 119.36 106.07 3i5m n ILE 315 Ca 0.01 0.05 -0.41 0.00 -0.00 0.00 0.00 62.75 62.39 3i5m n ILE 315 Cb 0.27 -0.81 -0.03 0.00 -0.00 0.00 0.00 39.64 39.08 3i5m n ILE 315 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3i5m s VAL 316 N -3.10 3.66 0.00 1.39 1.01 -0.96 -5.17 120.40 117.23 3i5m s VAL 316 Ca 0.09 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3i5m s VAL 316 Cb 0.13 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3i5m s VAL 316 CO 0.45 -1.07 0.00 2.29 0.00 0.00 0.00 175.10 176.76