#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcu n HIS 30 N 0.00 2.79 0.26 5.64 8.25 -1.26 -4.87 115.22 126.03 3kcu n HIS 30 Ca 0.00 0.22 0.11 0.00 -0.26 0.00 0.00 57.72 57.79 3kcu n HIS 30 Cb 0.00 -2.61 0.71 0.00 1.12 0.00 0.00 29.99 29.22 3kcu n HIS 30 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3kcu h PRO 31 N 5.20 0.00 -0.28 -0.41 0.11 -2.05 -1.60 132.00 132.98 3kcu h PRO 31 Ca -0.46 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3kcu h PRO 31 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3kcu h PRO 31 CO 0.83 0.10 -0.21 1.25 -0.21 0.00 0.00 178.00 179.76 3kcu h LEU 32 N 0.00 0.67 0.24 2.35 5.85 -1.99 -1.42 115.31 121.02 3kcu h LEU 32 Ca -0.00 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3kcu h LEU 32 Cb 0.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3kcu h LEU 32 CO 0.01 0.98 -0.34 0.50 -0.34 0.00 0.00 178.44 179.25 3kcu h LYS 33 N 0.37 -0.62 -0.62 1.25 3.64 -1.70 0.08 116.57 118.98 3kcu h LYS 33 Ca 0.05 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 3kcu h LYS 33 Cb 0.76 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.65 3kcu h LYS 33 CO 0.06 -0.42 0.20 1.15 -2.27 0.00 0.00 179.45 178.17 3kcu h THR 34 N -0.65 0.71 -0.74 1.00 2.02 -1.34 0.47 112.91 114.37 3kcu h THR 34 Ca 0.00 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.11 3kcu h THR 34 Cb 0.62 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3kcu h THR 34 CO -0.12 0.06 0.45 0.15 0.37 0.00 0.00 175.52 176.43 3kcu h PHE 35 N 0.35 0.83 -0.29 3.16 3.57 -0.83 0.87 116.94 124.61 3kcu h PHE 35 Ca 0.32 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 3kcu h PHE 35 Cb 0.44 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3kcu h PHE 35 CO -0.20 0.44 -0.33 1.88 -2.23 0.00 0.00 178.31 177.87 3kcu h TYR 36 N 0.85 0.73 0.00 0.41 0.05 0.32 -1.17 116.97 118.16 3kcu h TYR 36 Ca 0.32 -0.19 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 3kcu h TYR 36 Cb 0.12 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 3kcu h TYR 36 CO -0.05 0.88 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.68 3kcu h LEU 37 N 0.53 0.00 0.21 3.88 3.38 -0.42 -1.10 115.31 121.79 3kcu h LEU 37 Ca 0.06 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 3kcu h LEU 37 Cb 0.83 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.61 3kcu h LEU 37 CO 0.07 0.19 -1.42 0.00 0.09 0.00 0.00 178.44 177.37 3kcu h ALA 38 N 1.81 -0.04 -0.65 1.53 0.00 -0.54 -0.93 119.26 120.43 3kcu h ALA 38 Ca -0.00 -0.92 0.06 0.00 0.00 0.00 0.00 54.91 54.05 3kcu h ALA 38 Cb 0.82 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 3kcu h ALA 38 CO 0.02 0.73 0.36 0.82 0.00 0.00 0.00 179.25 181.18 3kcu h ILE 39 N -0.00 0.95 -0.64 0.00 2.04 -1.06 0.30 117.51 119.10 3kcu h ILE 39 Ca -0.26 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.40 3kcu h ILE 39 Cb 2.02 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 3kcu h ILE 39 CO 0.21 0.12 0.40 0.74 0.00 0.00 0.00 178.15 179.62 3kcu h THR 40 N 0.66 1.09 -0.33 -0.27 2.02 -1.19 -0.62 112.91 114.27 3kcu h THR 40 Ca 0.30 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 3kcu h THR 40 Cb 0.20 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3kcu h THR 40 CO -0.19 0.14 0.01 0.00 0.37 0.00 0.00 175.52 175.86 3kcu h ALA 41 N 1.27 1.41 -0.54 6.16 0.00 -0.41 -0.88 119.26 126.26 3kcu h ALA 41 Ca 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3kcu h ALA 41 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kcu h ALA 41 CO -0.10 0.42 0.08 0.78 0.00 0.00 0.00 179.25 180.43 3kcu h GLY 42 N 0.80 0.97 0.99 0.00 0.00 0.22 -1.23 103.07 104.83 3kcu h GLY 42 Ca 0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 3kcu h GLY 42 CO 0.01 0.60 0.27 -2.08 0.00 0.00 0.00 176.54 175.35 3kcu h VAL 43 N 0.79 1.21 -0.69 4.60 2.07 -0.77 -2.39 116.25 121.07 3kcu h VAL 43 Ca 0.16 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3kcu h VAL 43 Cb 0.41 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3kcu h VAL 43 CO 0.01 0.25 0.31 -0.26 0.02 0.00 0.00 177.57 177.90 3kcu h PHE 44 N 0.81 1.03 0.00 1.57 0.04 -0.81 -0.01 116.94 119.56 3kcu h PHE 44 Ca 0.20 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 3kcu h PHE 44 Cb 0.14 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 3kcu h PHE 44 CO 0.00 0.78 -0.41 0.97 -0.60 0.00 0.00 178.31 179.05 3kcu h ILE 45 N 0.98 0.95 -0.19 -0.55 6.09 -1.20 -2.03 117.51 121.57 3kcu h ILE 45 Ca 0.24 -1.60 -0.14 0.00 -1.37 0.00 0.00 64.86 61.98 3kcu h ILE 45 Cb 0.16 1.96 0.00 0.00 0.47 0.00 0.00 36.82 39.41 3kcu h ILE 45 CO -0.02 0.40 -0.44 0.28 -3.07 0.00 0.00 178.15 175.29 3kcu h SER 46 N 0.00 0.72 -0.43 2.19 0.02 -0.88 -1.88 113.55 113.29 3kcu h SER 46 Ca -0.00 -0.56 0.08 0.00 -0.84 0.00 0.00 61.79 60.46 3kcu h SER 46 Cb 0.93 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.19 3kcu h SER 46 CO 0.05 1.15 -0.03 0.40 -1.14 0.00 0.00 176.83 177.27 3kcu h ILE 47 N 0.32 0.64 -0.37 3.27 2.04 -0.83 0.13 117.51 122.70 3kcu h ILE 47 Ca -0.00 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3kcu h ILE 47 Cb 1.05 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3kcu h ILE 47 CO 0.10 0.01 0.04 0.00 0.00 0.00 0.00 178.15 178.30 3kcu h ALA 48 N 1.39 0.37 -0.15 1.87 0.00 -1.24 -0.66 119.26 120.84 3kcu h ALA 48 Ca 0.21 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 3kcu h ALA 48 Cb 0.31 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kcu h ALA 48 CO -0.38 -0.36 -0.48 0.35 0.00 0.00 0.00 179.25 178.39 3kcu h PHE 49 N 0.16 0.48 -0.68 0.00 3.04 -0.90 -1.07 116.94 117.96 3kcu h PHE 49 Ca 0.18 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3kcu h PHE 49 Cb 0.23 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 3kcu h PHE 49 CO -0.22 0.80 0.44 0.28 -2.02 0.00 0.00 178.31 177.59 3kcu h VAL 50 N 0.31 1.18 -0.09 1.41 2.07 -0.39 -0.11 116.25 120.65 3kcu h VAL 50 Ca 0.02 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3kcu h VAL 50 Cb 0.96 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3kcu h VAL 50 CO 0.08 0.18 0.05 0.15 0.02 0.00 0.00 177.57 178.05 3kcu h PHE 51 N 0.93 0.12 -0.36 1.57 3.04 -0.77 0.13 116.94 121.60 3kcu h PHE 51 Ca 0.25 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.27 3kcu h PHE 51 Cb -0.08 -0.04 -0.08 0.00 2.56 0.00 0.00 35.95 38.31 3kcu h PHE 51 CO -0.02 0.14 -0.18 -0.92 -2.02 0.00 0.00 178.31 175.31 3kcu h TYR 52 N 0.06 -0.45 -0.36 0.41 3.20 -1.00 0.53 116.97 119.36 3kcu h TYR 52 Ca 0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3kcu h TYR 52 Cb 0.06 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3kcu h TYR 52 CO -0.05 -0.26 0.17 0.82 -1.64 0.00 0.00 178.16 177.20 3kcu h ILE 53 N -0.12 1.17 -0.02 1.81 1.08 -0.67 -1.82 117.51 118.94 3kcu h ILE 53 Ca 0.18 -0.48 0.03 0.00 -0.39 0.00 0.00 64.86 64.20 3kcu h ILE 53 Cb 0.40 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3kcu h ILE 53 CO -0.43 0.18 -0.17 0.74 -0.69 0.00 0.00 178.15 177.78 3kcu h THR 54 N 0.44 0.60 -0.48 -0.27 2.02 -0.54 -1.59 112.91 113.08 3kcu h THR 54 Ca 0.12 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3kcu h THR 54 Cb 0.12 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3kcu h THR 54 CO -0.02 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.17 3kcu h ALA 55 N 0.68 1.62 -0.38 6.16 0.00 -0.74 -2.70 119.26 123.91 3kcu h ALA 55 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kcu h ALA 55 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kcu h ALA 55 CO -0.17 0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.67 3kcu n THR 56 N -4.45 0.49 -2.36 0.00 -2.24 -0.70 -4.90 114.28 100.12 3kcu n THR 56 Ca 0.04 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 3kcu n THR 56 Cb 0.07 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 3kcu n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kcu s THR 57 N -1.51 3.77 -0.62 4.28 2.01 -0.63 -3.13 115.64 119.81 3kcu s THR 57 Ca 0.38 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.70 3kcu s THR 57 Cb 0.22 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.88 3kcu s THR 57 CO 0.30 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 3kcu n GLY 58 N 2.99 0.63 1.58 4.40 0.00 -1.26 -4.95 105.19 108.59 3kcu n GLY 58 Ca 0.08 -0.73 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 3kcu n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcu n THR 59 N -3.18 2.75 0.31 2.61 -2.24 -1.18 -4.63 114.28 108.71 3kcu n THR 59 Ca -0.07 -2.08 0.17 0.00 -2.27 0.00 0.00 64.05 59.80 3kcu n THR 59 Cb 0.31 -0.35 0.70 0.00 -2.10 0.00 0.00 70.33 68.90 3kcu n THR 59 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3kcu h GLY 60 N 1.69 0.00 0.82 3.38 0.00 -1.92 -3.13 103.07 103.90 3kcu h GLY 60 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.29 3kcu h GLY 60 CO 0.61 0.00 -1.82 -1.30 0.00 0.00 0.00 176.54 174.02 3kcu n THR 61 N -2.89 1.60 -1.67 4.70 -2.24 -1.26 -4.93 114.28 107.59 3kcu n THR 61 Ca 0.00 -0.79 -0.34 0.00 -2.27 0.00 0.00 64.05 60.66 3kcu n THR 61 Cb 0.26 -1.05 0.06 0.00 -2.10 0.00 0.00 70.33 67.50 3kcu n THR 61 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3kcu s MET 62 N -2.58 2.60 0.23 -0.78 0.00 -1.18 -4.94 119.30 112.64 3kcu s MET 62 Ca -0.07 1.53 -0.31 0.00 0.00 0.00 0.00 55.69 56.83 3kcu s MET 62 Cb 0.08 -1.91 -0.11 0.00 0.00 0.00 0.00 34.83 32.88 3kcu s MET 62 CO 0.82 -1.43 1.60 -2.14 0.00 0.00 0.00 175.02 173.87 3kcu s PRO 63 N -3.99 4.16 0.15 4.11 0.02 -1.26 -4.89 135.00 133.31 3kcu s PRO 63 Ca 0.70 2.50 -0.31 0.00 0.02 0.00 0.00 61.00 63.91 3kcu s PRO 63 Cb -0.24 -3.08 -0.07 0.00 0.02 0.00 0.00 34.50 31.14 3kcu s PRO 63 CO 0.42 -0.63 1.54 0.35 -0.33 0.00 0.00 177.00 178.35 3kcu h PHE 64 N 5.87 -1.77 0.00 6.54 3.57 -1.92 -2.14 116.94 127.09 3kcu h PHE 64 Ca -0.45 0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 3kcu h PHE 64 Cb 1.21 0.88 -0.01 0.00 2.79 0.00 0.00 35.95 40.82 3kcu h PHE 64 CO 0.62 -0.42 -0.24 0.78 -2.23 0.00 0.00 178.31 176.82 3kcu h GLY 65 N -0.15 0.00 0.67 2.40 0.00 -1.96 -2.24 103.07 101.79 3kcu h GLY 65 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 3kcu h GLY 65 CO -0.81 0.00 -0.31 1.98 0.00 0.00 0.00 176.54 177.40 3kcu h MET 66 N 0.00 0.32 -0.45 4.80 4.05 -1.78 -1.00 114.93 120.87 3kcu h MET 66 Ca -0.00 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 3kcu h MET 66 Cb 0.44 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 3kcu h MET 66 CO 0.03 0.91 0.30 0.00 0.23 0.00 0.00 176.91 178.38 3kcu h ALA 67 N 0.42 0.57 -0.74 0.39 0.00 -1.31 -2.10 119.26 116.48 3kcu h ALA 67 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kcu h ALA 67 Cb 0.97 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3kcu h ALA 67 CO 0.06 0.02 0.27 0.87 0.00 0.00 0.00 179.25 180.48 3kcu h LYS 68 N 0.61 1.12 -0.39 0.00 6.56 -1.43 -1.08 116.57 121.95 3kcu h LYS 68 Ca 0.16 -0.22 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 3kcu h LYS 68 Cb -0.07 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.40 3kcu h LYS 68 CO -0.04 0.93 0.21 1.25 -2.06 0.00 0.00 179.45 179.74 3kcu h LEU 69 N 1.07 0.50 -0.34 2.94 5.85 -0.93 0.16 115.31 124.57 3kcu h LEU 69 Ca 0.24 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3kcu h LEU 69 Cb 0.25 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3kcu h LEU 69 CO -0.02 0.46 0.18 0.58 -0.34 0.00 0.00 178.44 179.31 3kcu h VAL 70 N 0.50 1.14 -0.52 1.05 2.07 -1.21 -0.69 116.25 118.60 3kcu h VAL 70 Ca 0.14 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.36 3kcu h VAL 70 Cb 0.08 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 3kcu h VAL 70 CO -0.02 0.15 0.12 1.23 0.02 0.00 0.00 177.57 179.07 3kcu h GLY 71 N 0.42 0.65 1.03 2.17 0.00 -0.81 -1.44 103.07 105.10 3kcu h GLY 71 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3kcu h GLY 71 CO -0.02 -0.07 0.36 -1.33 0.00 0.00 0.00 176.54 175.49 3kcu h GLY 72 N 0.26 1.25 1.01 4.60 0.00 -0.17 0.04 103.07 110.07 3kcu h GLY 72 Ca 0.26 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3kcu h GLY 72 CO -0.33 0.61 0.52 -2.22 0.00 0.00 0.00 176.54 175.11 3kcu h ILE 73 N 1.14 1.20 -0.62 2.60 2.04 -0.74 -2.04 117.51 121.09 3kcu h ILE 73 Ca 0.27 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 3kcu h ILE 73 Cb 0.15 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 3kcu h ILE 73 CO -0.03 0.19 0.09 0.00 0.00 0.00 0.00 178.15 178.40 3kcu h PHE 75 N 0.96 0.10 -0.01 0.00 3.57 -0.30 -2.46 116.94 118.79 3kcu h PHE 75 Ca 0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3kcu h PHE 75 Cb 0.43 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 3kcu h PHE 75 CO 0.03 0.05 0.02 0.66 -2.23 0.00 0.00 178.31 176.84 3kcu h SER 76 N 0.10 0.00 -0.96 0.41 4.64 -1.17 -1.35 113.55 115.22 3kcu h SER 76 Ca 0.11 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.64 3kcu h SER 76 Cb 0.31 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.22 3kcu h SER 76 CO -0.01 0.00 -0.16 -0.11 -0.87 0.00 0.00 176.83 175.68 3kcu n LEU 77 N -3.76 -0.27 -0.14 5.97 0.00 -0.93 -1.01 117.00 116.86 3kcu n LEU 77 Ca -0.03 1.65 -0.07 0.00 0.00 0.00 0.00 56.01 57.56 3kcu n LEU 77 Cb 0.10 -0.53 0.01 0.00 0.00 0.00 0.00 43.42 43.00 3kcu n LEU 77 CO 0.27 -1.61 1.05 1.23 0.00 0.00 0.00 177.39 178.32 3kcu h GLY 78 N 0.00 0.61 1.64 -3.96 0.00 -1.43 0.20 103.07 100.13 3kcu h GLY 78 Ca 0.50 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 3kcu h GLY 78 CO -0.96 0.20 -0.40 -2.00 0.00 0.00 0.00 176.54 173.38 3kcu h LEU 79 N 0.57 0.42 -0.28 3.11 5.85 -1.52 -1.59 115.31 121.87 3kcu h LEU 79 Ca 0.17 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3kcu h LEU 79 Cb -0.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3kcu h LEU 79 CO -0.05 0.79 0.04 0.40 -0.34 0.00 0.00 178.44 179.28 3kcu h ILE 80 N 0.34 1.23 -0.36 4.05 2.04 -0.39 -1.70 117.51 122.71 3kcu h ILE 80 Ca 0.03 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.17 3kcu h ILE 80 Cb 0.86 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 38.07 3kcu h ILE 80 CO 0.07 0.26 -0.16 -0.07 0.00 0.00 0.00 178.15 178.25 3kcu h LEU 81 N 0.29 -0.55 -0.24 1.44 4.07 -0.55 -1.12 115.31 118.64 3kcu h LEU 81 Ca 0.09 0.14 0.01 0.00 0.08 0.00 0.00 57.88 58.19 3kcu h LEU 81 Cb 0.34 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 3kcu h LEU 81 CO 0.01 -0.20 0.15 0.00 -1.08 0.00 0.00 178.44 177.32 3kcu h VAL 83 N 0.30 1.12 -0.88 0.00 2.07 -1.22 0.17 116.25 117.81 3kcu h VAL 83 Ca 0.09 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3kcu h VAL 83 Cb -0.01 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3kcu h VAL 83 CO -0.04 0.25 0.52 0.58 0.02 0.00 0.00 177.57 178.90 3kcu h VAL 84 N -0.66 1.25 0.00 2.57 2.07 -1.24 -3.11 116.25 117.13 3kcu h VAL 84 Ca -0.01 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3kcu h VAL 84 Cb 0.52 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3kcu h VAL 84 CO 0.02 0.27 -0.54 0.00 0.02 0.00 0.00 177.57 177.34 3kcu n GLY 86 N 1.45 0.70 3.90 0.00 0.00 -0.62 -5.06 105.19 105.57 3kcu n GLY 86 Ca 0.05 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 3kcu n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcu s ALA 87 N -2.38 3.20 -0.44 4.61 0.00 -0.05 -4.97 121.76 121.73 3kcu s ALA 87 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 3kcu s ALA 87 Cb 0.00 -2.79 0.12 0.00 0.00 0.00 0.00 23.12 20.44 3kcu s ALA 87 CO 0.00 -0.73 0.25 0.34 0.00 0.00 0.00 175.76 175.62 3kcu s ASP 88 N -4.24 5.29 -0.26 0.00 -1.08 -0.46 -4.76 116.67 111.16 3kcu s ASP 88 Ca 0.53 -2.13 -0.13 0.00 -0.52 0.00 0.00 52.55 50.30 3kcu s ASP 88 Cb -0.11 -1.85 -0.04 0.00 -1.46 0.00 0.00 42.92 39.47 3kcu s ASP 88 CO 0.48 -0.53 0.30 -0.22 0.52 0.00 0.00 175.17 175.73 3kcu s LEU 89 N 1.00 4.06 -0.45 -1.34 2.96 -1.26 -4.17 118.68 119.47 3kcu s LEU 89 Ca 0.09 0.22 -0.27 0.00 -0.22 0.00 0.00 54.13 53.95 3kcu s LEU 89 Cb -0.23 -2.32 -0.14 0.00 0.50 0.00 0.00 46.19 44.00 3kcu s LEU 89 CO -0.04 -0.11 1.59 0.33 -1.32 0.00 0.00 176.35 176.80 3kcu n PHE 90 N 5.02 0.67 -0.47 5.38 7.35 -1.26 -0.16 117.46 133.98 3kcu n PHE 90 Ca -0.11 0.44 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 3kcu n PHE 90 Cb 0.51 -1.59 0.00 0.00 0.35 0.00 0.00 39.48 38.75 3kcu n PHE 90 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3kcu n THR 91 N 4.67 0.00 0.16 -2.13 -2.24 -1.26 -4.87 114.28 108.61 3kcu n THR 91 Ca 0.40 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.33 3kcu n THR 91 Cb -0.01 -0.13 0.73 0.00 -2.10 0.00 0.00 70.33 68.82 3kcu n THR 91 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kcu h SER 92 N 0.00 0.00 -0.42 3.42 4.64 -0.96 -1.91 113.55 118.32 3kcu h SER 92 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcu h SER 92 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kcu h SER 92 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3kcu n THR 93 N -4.21 1.82 -0.10 2.95 -2.24 -1.26 -4.45 114.28 106.77 3kcu n THR 93 Ca 0.02 -1.40 0.14 0.00 -2.27 0.00 0.00 64.05 60.54 3kcu n THR 93 Cb 0.33 0.07 0.52 0.00 -2.10 0.00 0.00 70.33 69.15 3kcu n THR 93 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3kcu h VAL 94 N 2.66 0.84 -0.02 2.28 3.04 -1.73 0.17 116.25 123.49 3kcu h VAL 94 Ca 0.00 -0.13 -0.12 0.00 -1.01 0.00 0.00 66.70 65.44 3kcu h VAL 94 Cb 1.28 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 3kcu h VAL 94 CO 0.18 0.07 -0.57 -0.07 -1.01 0.00 0.00 177.57 176.16 3kcu h LEU 95 N 0.37 0.06 -0.48 3.16 3.38 -1.84 -2.28 115.31 117.68 3kcu h LEU 95 Ca 0.31 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 3kcu h LEU 95 Cb 0.70 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3kcu h LEU 95 CO -0.08 0.62 0.02 0.40 0.09 0.00 0.00 178.44 179.49 3kcu h ILE 96 N 0.04 1.26 -0.68 1.22 1.08 -1.05 -1.92 117.51 117.47 3kcu h ILE 96 Ca -0.00 -1.03 -0.04 0.00 -0.39 0.00 0.00 64.86 63.39 3kcu h ILE 96 Cb 1.03 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3kcu h ILE 96 CO 0.08 0.36 0.25 0.58 -0.69 0.00 0.00 178.15 178.73 3kcu h VAL 97 N 0.70 1.25 -0.27 1.67 2.07 -1.14 -2.23 116.25 118.29 3kcu h VAL 97 Ca 0.14 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3kcu h VAL 97 Cb 0.48 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3kcu h VAL 97 CO 0.02 0.31 -0.10 0.58 0.02 0.00 0.00 177.57 178.41 3kcu h VAL 98 N 0.97 1.29 -0.98 2.57 2.07 -1.40 -3.23 116.25 117.54 3kcu h VAL 98 Ca 0.22 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.67 3kcu h VAL 98 Cb 0.24 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3kcu h VAL 98 CO -0.01 0.36 0.63 0.00 0.02 0.00 0.00 177.57 178.57 3kcu h ALA 99 N 0.76 1.46 -0.67 1.67 0.00 -1.08 -2.95 119.26 118.45 3kcu h ALA 99 Ca 0.07 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.23 3kcu h ALA 99 Cb 0.59 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 17.97 3kcu h ALA 99 CO 0.03 0.37 2.21 1.63 0.00 0.00 0.00 179.25 183.49 3kcu n LYS 100 N -4.53 4.52 0.00 0.00 5.02 -0.86 -5.11 118.16 117.21 3kcu n LYS 100 Ca 0.16 -3.47 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 3kcu n LYS 100 Cb 0.23 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 3kcu n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcu n ALA 101 N 1.55 0.00 0.00 7.82 0.00 -1.12 -4.99 120.51 123.77 3kcu n ALA 101 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3kcu n ALA 101 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3kcu n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcu n ALA 111 N -3.00 0.00 1.34 0.00 0.00 -1.26 -5.04 120.51 112.56 3kcu n ALA 111 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3kcu n ALA 111 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 3kcu n ALA 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kcu n LYS 112 N 0.00 1.44 0.27 0.00 2.85 -1.26 -3.72 118.16 117.73 3kcu n LYS 112 Ca 0.00 -0.56 0.16 0.00 -1.05 0.00 0.00 58.31 56.86 3kcu n LYS 112 Cb 0.00 -1.22 0.90 0.00 -0.65 0.00 0.00 35.03 34.05 3kcu n LYS 112 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 3kcu h ASN 113 N 0.87 0.00 -0.53 -5.58 -1.24 -2.06 -2.93 115.58 104.11 3kcu h ASN 113 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.12 3kcu h ASN 113 Cb 0.32 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.28 3kcu h ASN 113 CO 0.02 0.00 -0.06 -0.50 -1.29 0.00 0.00 177.43 175.60 3kcu h TRP 114 N 0.00 -0.14 -0.82 0.67 4.06 -2.00 -1.07 115.95 116.65 3kcu h TRP 114 Ca 0.03 0.04 0.15 0.00 2.06 0.00 0.00 58.89 61.18 3kcu h TRP 114 Cb 0.19 0.14 -0.10 0.00 -1.00 0.00 0.00 29.16 28.40 3kcu h TRP 114 CO 0.00 -0.17 0.38 1.25 -3.56 0.00 0.00 178.44 176.33 3kcu h LEU 115 N 0.06 0.40 0.22 -4.49 5.85 -1.85 0.36 115.31 115.87 3kcu h LEU 115 Ca 0.27 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3kcu h LEU 115 Cb 0.42 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3kcu h LEU 115 CO -0.49 0.15 -0.11 -1.13 -0.34 0.00 0.00 178.44 176.52 3kcu h ASN 116 N 0.52 -0.25 -0.30 1.25 -1.24 -1.39 -2.48 115.58 111.69 3kcu h ASN 116 Ca 0.45 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.39 3kcu h ASN 116 Cb 0.69 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.80 3kcu h ASN 116 CO -0.40 -0.14 -0.03 0.58 -1.29 0.00 0.00 177.43 176.15 3kcu h VAL 117 N -0.34 1.27 -0.38 2.57 2.07 -0.66 -0.25 116.25 120.53 3kcu h VAL 117 Ca -0.03 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3kcu h VAL 117 Cb 0.26 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3kcu h VAL 117 CO 0.05 0.32 0.12 0.22 0.02 0.00 0.00 177.57 178.30 3kcu h TYR 118 N 0.33 0.20 0.00 1.57 3.20 -0.33 0.36 116.97 122.30 3kcu h TYR 118 Ca 0.08 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.81 3kcu h TYR 118 Cb 0.49 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3kcu h TYR 118 CO 0.04 0.07 -0.79 0.74 -1.64 0.00 0.00 178.16 176.59 3kcu h PHE 119 N 0.26 0.00 -0.54 -3.82 0.04 -1.38 -1.57 116.94 109.93 3kcu h PHE 119 Ca 0.18 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.90 3kcu h PHE 119 Cb 0.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3kcu h PHE 119 CO -0.16 0.79 0.17 0.78 -0.60 0.00 0.00 178.31 179.29 3kcu h GLY 120 N 3.06 0.89 0.40 -1.45 0.00 -0.64 -0.87 103.07 104.47 3kcu h GLY 120 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 46.84 3kcu h GLY 120 CO 0.10 0.49 -0.18 3.43 0.00 0.00 0.00 176.54 180.39 3kcu h ASN 121 N 0.74 -0.55 -0.56 0.19 -0.26 -0.13 -1.70 115.58 113.31 3kcu h ASN 121 Ca 0.17 0.10 0.08 0.00 -0.56 0.00 0.00 56.30 56.09 3kcu h ASN 121 Cb 0.27 0.26 -0.07 0.00 -1.06 0.00 0.00 38.32 37.73 3kcu h ASN 121 CO -0.01 -0.23 0.20 0.25 -1.06 0.00 0.00 177.43 176.59 3kcu h LEU 122 N -0.22 0.20 -0.71 1.61 5.85 -1.10 -0.82 115.31 120.12 3kcu h LEU 122 Ca 0.10 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3kcu h LEU 122 Cb 0.37 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3kcu h LEU 122 CO -0.27 0.13 0.47 0.58 -0.34 0.00 0.00 178.44 179.02 3kcu h VAL 123 N 0.38 1.18 -0.36 1.05 2.07 -0.73 -0.98 116.25 118.87 3kcu h VAL 123 Ca 0.28 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 3kcu h VAL 123 Cb 0.32 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3kcu h VAL 123 CO -0.28 0.18 -0.22 1.23 0.02 0.00 0.00 177.57 178.49 3kcu h GLY 124 N 0.96 0.85 0.84 2.17 0.00 -0.83 -1.31 103.07 105.75 3kcu h GLY 124 Ca 0.26 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.82 3kcu h GLY 124 CO -0.06 0.72 0.21 0.00 0.00 0.00 0.00 176.54 177.42 3kcu h ALA 125 N 0.77 0.49 -0.50 3.60 0.00 -0.93 -1.90 119.26 120.80 3kcu h ALA 125 Ca 0.07 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3kcu h ALA 125 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kcu h ALA 125 CO 0.06 -0.14 -0.18 -0.07 0.00 0.00 0.00 179.25 178.92 3kcu h LEU 126 N 0.42 1.01 -0.99 0.00 3.38 -1.03 0.13 115.31 118.24 3kcu h LEU 126 Ca 0.16 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.85 3kcu h LEU 126 Cb 0.05 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 3kcu h LEU 126 CO -0.10 1.16 0.63 -0.07 0.09 0.00 0.00 178.44 180.14 3kcu h LEU 127 N 0.87 0.98 -0.52 1.67 3.38 -1.14 -0.95 115.31 119.60 3kcu h LEU 127 Ca 0.12 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 3kcu h LEU 127 Cb 0.75 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kcu h LEU 127 CO 0.06 0.60 -0.71 0.15 0.09 0.00 0.00 178.44 178.63 3kcu h PHE 128 N 1.10 0.25 -0.46 1.13 3.57 -0.69 -0.78 116.94 121.06 3kcu h PHE 128 Ca 0.44 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.88 3kcu h PHE 128 Cb 0.26 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3kcu h PHE 128 CO -0.01 0.83 0.22 0.28 -2.23 0.00 0.00 178.31 177.40 3kcu h VAL 129 N 0.12 0.94 0.07 1.41 2.07 -0.09 0.65 116.25 121.42 3kcu h VAL 129 Ca -0.02 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kcu h VAL 129 Cb 1.26 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3kcu h VAL 129 CO 0.11 0.08 -0.03 0.25 0.02 0.00 0.00 177.57 177.99 3kcu h LEU 130 N 0.43 -0.07 -0.59 2.57 5.85 -0.87 -0.11 115.31 122.52 3kcu h LEU 130 Ca 0.20 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kcu h LEU 130 Cb 0.13 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3kcu h LEU 130 CO -0.16 0.04 0.35 0.25 -0.34 0.00 0.00 178.44 178.59 3kcu h LEU 131 N -0.19 0.56 -0.84 2.25 5.85 -0.95 -0.94 115.31 121.07 3kcu h LEU 131 Ca -0.01 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3kcu h LEU 131 Cb 0.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3kcu h LEU 131 CO 0.01 0.39 -0.02 0.24 -0.34 0.00 0.00 178.44 178.72 3kcu h MET 132 N 0.69 0.85 -0.29 1.25 2.86 -0.64 -1.63 114.93 118.02 3kcu h MET 132 Ca 0.24 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3kcu h MET 132 Cb 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3kcu h MET 132 CO -0.11 0.86 0.13 2.35 1.06 0.00 0.00 176.91 181.20 3kcu h TRP 133 N 0.78 0.42 0.00 -0.22 2.91 -0.59 -3.07 115.95 116.18 3kcu h TRP 133 Ca 0.15 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 3kcu h TRP 133 Cb 0.50 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 3kcu h TRP 133 CO 0.03 0.39 -0.19 -0.07 -1.03 0.00 0.00 178.44 177.56 3kcu h LEU 134 N 0.32 0.00 -1.27 0.65 3.38 -0.82 -2.84 115.31 114.73 3kcu h LEU 134 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kcu h LEU 134 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kcu h LEU 134 CO -0.01 0.19 0.00 0.77 0.09 0.00 0.00 178.44 179.48 3kcu h SER 135 N 0.00 0.00 0.00 -0.43 4.64 -1.21 -3.47 113.55 113.09 3kcu h SER 135 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcu h SER 135 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3kcu h SER 135 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3kcu n GLY 136 N 0.10 0.81 0.49 -0.77 0.00 -1.07 -4.94 105.19 99.81 3kcu n GLY 136 Ca 0.01 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.33 3kcu n GLY 136 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kcu h GLU 137 N 3.00 0.00 0.00 1.61 4.57 -1.82 -2.13 114.58 119.81 3kcu h GLU 137 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3kcu h GLU 137 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3kcu h GLU 137 CO 0.00 0.00 -0.03 0.10 -1.18 0.00 0.00 179.01 177.90 3kcu h TYR 138 N 0.00 0.00 -0.01 0.92 -0.00 -1.91 -0.43 116.97 115.55 3kcu h TYR 138 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.17 3kcu h TYR 138 Cb 2.03 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.76 3kcu h TYR 138 CO 0.00 0.03 0.00 -1.33 -0.00 0.00 0.00 178.16 176.86 3kcu n MET 139 N -3.27 1.22 -1.76 0.10 2.81 -0.80 -1.42 117.12 114.01 3kcu n MET 139 Ca -0.02 -0.33 -0.41 0.00 -1.81 0.00 0.00 57.70 55.13 3kcu n MET 139 Cb 0.18 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3kcu n MET 139 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3kcu n THR 140 N -0.60 1.85 -3.52 2.03 -1.04 -0.17 -1.55 114.28 111.27 3kcu n THR 140 Ca 0.22 -0.46 -0.19 0.00 -2.04 0.00 0.00 64.05 61.58 3kcu n THR 140 Cb 0.19 -1.89 0.08 0.00 -1.82 0.00 0.00 70.33 66.89 3kcu n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kcu n ALA 141 N 0.67 -1.88 -3.24 2.41 0.00 -1.26 -1.55 120.51 115.65 3kcu n ALA 141 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 3kcu n ALA 141 Cb 0.38 -2.90 0.04 0.00 0.00 0.00 0.00 19.45 16.97 3kcu n ALA 141 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kcu n ASN 142 N -3.09 -5.82 0.00 0.00 4.05 -1.09 -1.97 115.26 107.34 3kcu n ASN 142 Ca -0.23 -0.39 0.00 0.00 0.45 0.00 0.00 54.58 54.41 3kcu n ASN 142 Cb 0.65 -4.68 0.00 0.00 1.23 0.00 0.00 39.78 36.98 3kcu n ASN 142 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kcu n GLY 143 N -1.60 1.60 0.24 8.20 0.00 -0.60 -4.61 105.19 108.43 3kcu n GLY 143 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3kcu n GLY 143 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kcu h GLN 144 N 2.95 0.05 0.13 1.61 1.08 -1.09 -1.38 115.11 118.46 3kcu h GLN 144 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kcu h GLN 144 Cb 0.00 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3kcu h GLN 144 CO 0.00 0.16 -0.13 2.35 -0.95 0.00 0.00 178.83 180.27 3kcu h TRP 145 N 0.05 -0.33 -0.63 2.96 7.01 -1.46 0.40 115.95 123.94 3kcu h TRP 145 Ca 0.01 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.06 3kcu h TRP 145 Cb 0.23 0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.37 3kcu h TRP 145 CO 0.00 -0.20 0.35 0.78 -2.79 0.00 0.00 178.44 176.58 3kcu h GLY 146 N -0.28 0.91 1.00 2.65 0.00 -0.42 -2.09 103.07 104.85 3kcu h GLY 146 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3kcu h GLY 146 CO -0.04 0.16 0.42 -2.00 0.00 0.00 0.00 176.54 175.08 3kcu h LEU 147 N 0.66 0.86 -0.28 3.11 5.85 -1.05 -0.25 115.31 124.21 3kcu h LEU 147 Ca 0.28 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3kcu h LEU 147 Cb 0.15 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3kcu h LEU 147 CO -0.17 0.68 0.01 -1.13 -0.34 0.00 0.00 178.44 177.49 3kcu h ASN 148 N 0.97 -0.10 -0.29 1.25 -1.24 -0.43 -0.27 115.58 115.48 3kcu h ASN 148 Ca 0.25 0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.37 3kcu h ASN 148 Cb -0.01 0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 3kcu h ASN 148 CO -0.05 -0.02 0.05 0.58 -1.29 0.00 0.00 177.43 176.71 3kcu h VAL 149 N 0.09 0.85 -0.26 2.57 2.07 -0.76 -0.22 116.25 120.59 3kcu h VAL 149 Ca 0.14 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.66 3kcu h VAL 149 Cb 0.17 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3kcu h VAL 149 CO -0.22 0.03 -0.09 -0.07 0.02 0.00 0.00 177.57 177.23 3kcu h LEU 150 N 0.15 -0.33 -0.47 2.57 3.38 -0.49 0.34 115.31 120.46 3kcu h LEU 150 Ca 0.14 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 3kcu h LEU 150 Cb 0.15 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kcu h LEU 150 CO -0.19 -0.12 -0.53 1.56 0.09 0.00 0.00 178.44 179.25 3kcu h GLN 151 N -0.05 0.65 -0.20 1.13 4.20 -0.89 0.18 115.11 120.14 3kcu h GLN 151 Ca 0.13 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 3kcu h GLN 151 Cb 0.24 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3kcu h GLN 151 CO -0.29 1.02 -0.01 1.15 -0.67 0.00 0.00 178.83 180.03 3kcu h THR 152 N 0.50 1.26 -0.67 -0.54 2.02 -0.85 -1.34 112.91 113.29 3kcu h THR 152 Ca 0.01 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 3kcu h THR 152 Cb 1.09 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3kcu h THR 152 CO 0.11 0.27 0.37 0.00 0.37 0.00 0.00 175.52 176.64 3kcu h ALA 153 N 0.78 0.86 -0.42 6.16 0.00 -0.17 -3.01 119.26 123.46 3kcu h ALA 153 Ca 0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3kcu h ALA 153 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kcu h ALA 153 CO 0.01 0.37 -0.18 0.22 0.00 0.00 0.00 179.25 179.66 3kcu h ASP 154 N 0.92 0.89 -0.98 0.00 3.58 -0.60 -2.27 116.42 117.95 3kcu h ASP 154 Ca 0.24 -0.40 0.18 0.00 0.42 0.00 0.00 57.03 57.47 3kcu h ASP 154 Cb 0.03 -0.25 -0.09 0.00 1.72 0.00 0.00 39.33 40.74 3kcu h ASP 154 CO -0.04 1.09 0.61 -0.74 -2.88 0.00 0.00 179.24 177.28 3kcu h HIS 155 N 0.69 0.96 0.00 0.28 2.76 -1.14 -2.15 115.15 116.55 3kcu h HIS 155 Ca 0.10 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3kcu h HIS 155 Cb 0.74 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.41 3kcu h HIS 155 CO 0.06 0.25 0.00 1.63 -1.30 0.00 0.00 177.93 178.57 3kcu n LYS 156 N -4.68 0.08 -0.40 5.26 5.02 -0.86 -2.70 118.16 119.89 3kcu n LYS 156 Ca 0.22 0.15 0.08 0.00 -2.02 0.00 0.00 58.31 56.74 3kcu n LYS 156 Cb 0.57 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.32 3kcu n LYS 156 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3kcu n VAL 157 N -1.44 2.08 -0.67 -0.18 0.24 -0.81 -4.56 118.33 112.99 3kcu n VAL 157 Ca 0.06 -1.73 0.07 0.00 -2.04 0.00 0.00 64.34 60.69 3kcu n VAL 157 Cb 0.20 -0.13 0.13 0.00 -1.47 0.00 0.00 33.84 32.57 3kcu n VAL 157 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3kcu n HIS 158 N -0.34 0.26 -2.12 6.34 8.25 -1.10 -4.92 115.22 121.60 3kcu n HIS 158 Ca 0.20 -0.78 -0.30 0.00 -0.26 0.00 0.00 57.72 56.57 3kcu n HIS 158 Cb 0.82 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.79 3kcu n HIS 158 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kcu s HIS 159 N -2.15 3.60 0.86 4.41 3.76 -1.26 -5.08 115.29 119.43 3kcu s HIS 159 Ca 0.25 1.18 -0.12 0.00 -0.15 0.00 0.00 55.06 56.22 3kcu s HIS 159 Cb 0.20 -2.62 0.11 0.00 1.11 0.00 0.00 32.58 31.38 3kcu s HIS 159 CO 0.05 -0.55 1.13 0.95 -0.85 0.00 0.00 174.74 175.46 3kcu s THR 160 N -3.02 2.38 0.16 1.30 -4.23 -1.26 -4.86 115.64 106.11 3kcu s THR 160 Ca 0.53 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 61.02 3kcu s THR 160 Cb -0.11 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.88 3kcu s THR 160 CO 0.50 -0.16 1.76 0.15 -0.54 0.00 0.00 174.62 176.32 3kcu h PHE 161 N -1.31 0.69 -0.22 3.99 3.57 -1.97 -1.30 116.94 120.39 3kcu h PHE 161 Ca -0.49 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 60.96 3kcu h PHE 161 Cb 1.31 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3kcu h PHE 161 CO 0.35 0.53 0.04 0.82 -2.23 0.00 0.00 178.31 177.82 3kcu h ILE 162 N 0.66 1.22 -0.57 1.41 2.04 -1.98 -0.02 117.51 120.26 3kcu h ILE 162 Ca 0.17 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 3kcu h ILE 162 Cb 0.08 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3kcu h ILE 162 CO -0.03 0.23 -0.04 1.05 0.00 0.00 0.00 178.15 179.36 3kcu h GLU 163 N 0.16 1.03 -0.10 2.37 4.11 -1.93 0.10 114.58 120.32 3kcu h GLU 163 Ca 0.07 -0.34 0.04 0.00 0.07 0.00 0.00 59.36 59.20 3kcu h GLU 163 Cb 0.30 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3kcu h GLU 163 CO 0.00 1.03 -0.18 0.00 0.07 0.00 0.00 179.01 179.93 3kcu h ALA 164 N 1.01 -0.14 -0.47 1.06 0.00 -1.16 0.21 119.26 119.78 3kcu h ALA 164 Ca 0.16 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3kcu h ALA 164 Cb 0.59 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3kcu h ALA 164 CO 0.04 -0.64 0.01 0.28 0.00 0.00 0.00 179.25 178.94 3kcu h VAL 165 N -0.24 0.64 -0.14 0.00 2.07 -0.57 -0.32 116.25 117.69 3kcu h VAL 165 Ca 0.09 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 3kcu h VAL 165 Cb 0.36 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3kcu h VAL 165 CO -0.24 0.02 -0.28 0.00 0.02 0.00 0.00 177.57 177.10 3kcu h LEU 167 N 0.24 0.00 -0.38 0.00 3.38 -0.24 -0.98 115.31 117.33 3kcu h LEU 167 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3kcu h LEU 167 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kcu h LEU 167 CO 0.04 0.59 -0.59 1.23 0.09 0.00 0.00 178.44 179.81 3kcu h GLY 168 N 2.28 0.78 0.93 0.83 0.00 0.11 -1.03 103.07 106.97 3kcu h GLY 168 Ca -0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.39 3kcu h GLY 168 CO 0.08 0.84 0.01 -2.22 0.00 0.00 0.00 176.54 175.25 3kcu h ILE 169 N 0.53 1.07 -0.83 2.60 2.04 -0.48 -2.72 117.51 119.73 3kcu h ILE 169 Ca 0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3kcu h ILE 169 Cb 1.17 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 3kcu h ILE 169 CO 0.12 0.05 0.43 -0.07 0.00 0.00 0.00 178.15 178.68 3kcu h LEU 170 N -0.04 1.05 -0.28 1.44 3.38 -1.10 -2.11 115.31 117.65 3kcu h LEU 170 Ca 0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3kcu h LEU 170 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3kcu h LEU 170 CO -0.00 0.87 0.02 0.00 0.09 0.00 0.00 178.44 179.42 3kcu h ALA 171 N 1.23 0.37 0.00 1.53 0.00 -1.22 -3.09 119.26 118.08 3kcu h ALA 171 Ca 0.29 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3kcu h ALA 171 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kcu h ALA 171 CO -0.04 0.09 -0.63 -0.97 0.00 0.00 0.00 179.25 177.70 3kcu h ASN 172 N 0.28 0.00 -0.51 0.00 -1.24 -1.36 -2.10 115.58 110.66 3kcu h ASN 172 Ca 0.08 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.18 3kcu h ASN 172 Cb 0.38 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.36 3kcu h ASN 172 CO 0.01 0.63 0.11 -0.07 -1.29 0.00 0.00 177.43 176.82 3kcu h LEU 173 N 0.00 0.03 -0.26 0.34 3.38 -1.39 0.72 115.31 118.12 3kcu h LEU 173 Ca -0.01 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3kcu h LEU 173 Cb 1.32 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 3kcu h LEU 173 CO 0.08 0.04 -0.06 0.24 0.09 0.00 0.00 178.44 178.83 3kcu h MET 174 N 0.25 0.51 -0.09 1.13 2.86 -1.40 -1.69 114.93 116.51 3kcu h MET 174 Ca 0.26 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3kcu h MET 174 Cb 0.34 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3kcu h MET 174 CO -0.32 0.72 0.05 0.28 1.06 0.00 0.00 176.91 178.69 3kcu h VAL 175 N 0.26 1.08 -0.62 -2.22 2.07 -1.19 -0.54 116.25 115.08 3kcu h VAL 175 Ca 0.07 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3kcu h VAL 175 Cb 0.53 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3kcu h VAL 175 CO 0.03 0.07 0.11 0.00 0.02 0.00 0.00 177.57 177.79 3kcu h LEU 177 N 0.95 0.78 -0.14 0.00 3.38 -1.20 -0.91 115.31 118.18 3kcu h LEU 177 Ca 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kcu h LEU 177 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3kcu h LEU 177 CO 0.01 0.86 -0.00 0.00 0.09 0.00 0.00 178.44 179.40 3kcu h ALA 178 N 1.23 0.19 -0.78 1.53 0.00 -0.45 -1.15 119.26 119.83 3kcu h ALA 178 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kcu h ALA 178 Cb 0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3kcu h ALA 178 CO 0.02 -0.11 0.43 0.28 0.00 0.00 0.00 179.25 179.87 3kcu h VAL 179 N -0.01 1.23 0.29 0.00 2.07 -1.15 -0.89 116.25 117.79 3kcu h VAL 179 Ca 0.04 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3kcu h VAL 179 Cb 0.37 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3kcu h VAL 179 CO 0.01 0.26 -0.14 -0.25 0.02 0.00 0.00 177.57 177.47 3kcu h TRP 180 N 1.09 -0.36 -0.56 1.57 2.91 -0.95 -2.51 115.95 117.14 3kcu h TRP 180 Ca 0.27 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.36 3kcu h TRP 180 Cb 0.03 0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 28.74 3kcu h TRP 180 CO 0.01 -0.15 0.24 0.52 -1.03 0.00 0.00 178.44 178.03 3kcu h MET 181 N -0.49 0.44 -0.91 2.65 2.86 -1.02 -1.68 114.93 116.78 3kcu h MET 181 Ca -0.04 -0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.72 3kcu h MET 181 Cb 0.37 -0.10 -0.09 0.00 0.06 0.00 0.00 31.60 31.84 3kcu h MET 181 CO 0.06 0.29 0.51 1.03 1.06 0.00 0.00 176.91 179.87 3kcu h SER 182 N 0.45 0.66 0.50 1.22 0.87 -1.06 -1.79 113.55 114.40 3kcu h SER 182 Ca 0.27 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 3kcu h SER 182 Cb 0.26 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3kcu h SER 182 CO -0.23 0.29 -0.09 1.88 -0.53 0.00 0.00 176.83 178.14 3kcu h TYR 183 N 0.72 0.00 0.00 2.24 0.05 -0.84 0.13 116.97 119.27 3kcu h TYR 183 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.27 3kcu h TYR 183 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3kcu h TYR 183 CO -0.06 0.09 0.00 -1.13 -1.05 0.00 0.00 178.16 176.02 3kcu n SER 184 N -3.43 0.00 -4.80 3.88 3.41 -0.67 -4.88 113.62 107.12 3kcu n SER 184 Ca -0.01 -1.11 -0.35 0.00 -0.26 0.00 0.00 58.87 57.14 3kcu n SER 184 Cb 0.25 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 3kcu n SER 184 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kcu s GLY 185 N -1.89 2.57 -0.27 5.00 0.00 0.44 -5.00 107.32 108.17 3kcu s GLY 185 Ca 0.42 0.46 -0.14 0.00 0.00 0.00 0.00 44.72 45.46 3kcu s GLY 185 CO 0.33 0.81 -0.35 0.54 0.00 0.00 0.00 173.10 174.42 3kcu n ARG 186 N -0.10 0.58 -2.84 2.90 5.12 -1.26 -4.86 116.66 116.19 3kcu n ARG 186 Ca 0.05 0.25 -0.19 0.00 -1.93 0.00 0.00 57.85 56.03 3kcu n ARG 186 Cb 0.52 -1.47 0.03 0.00 -1.16 0.00 0.00 32.46 30.38 3kcu n ARG 186 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kcu s SER 187 N -7.44 5.43 0.11 0.55 1.04 -1.26 -4.96 113.70 107.17 3kcu s SER 187 Ca -0.38 -0.27 -0.22 0.00 0.48 0.00 0.00 55.95 55.56 3kcu s SER 187 Cb 0.15 -0.68 -0.08 0.00 0.10 0.00 0.00 66.02 65.50 3kcu s SER 187 CO 0.48 -0.98 1.71 0.25 0.98 0.00 0.00 173.24 175.67 3kcu h LEU 188 N 0.34 -0.21 -0.51 2.42 5.85 -1.99 -1.87 115.31 119.35 3kcu h LEU 188 Ca -0.40 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.46 3kcu h LEU 188 Cb 1.29 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.31 3kcu h LEU 188 CO 0.48 -0.10 -0.28 0.24 -0.34 0.00 0.00 178.44 178.44 3kcu h MET 189 N -0.09 -0.16 -0.44 1.25 2.86 -1.99 -0.55 114.93 115.82 3kcu h MET 189 Ca 0.05 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 3kcu h MET 189 Cb 0.16 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.76 3kcu h MET 189 CO -0.11 -0.10 -0.16 -0.44 1.06 0.00 0.00 176.91 177.16 3kcu h ASP 190 N -0.16 -0.56 0.43 1.22 3.32 -1.88 -1.43 116.42 117.36 3kcu h ASP 190 Ca 0.22 0.15 -0.20 0.00 0.02 0.00 0.00 57.03 57.22 3kcu h ASP 190 Cb 0.52 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3kcu h ASP 190 CO -0.60 -0.19 -0.84 0.11 -1.72 0.00 0.00 179.24 175.99 3kcu h LYS 191 N -0.06 0.30 0.09 3.56 1.57 -0.49 -2.98 116.57 118.56 3kcu h LYS 191 Ca 0.21 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3kcu h LYS 191 Cb 0.39 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kcu h LYS 191 CO -0.49 0.98 -0.04 0.00 -0.57 0.00 0.00 179.45 179.33 3kcu h ALA 192 N 0.92 -0.12 0.00 3.86 0.00 -1.10 -3.40 119.26 119.43 3kcu h ALA 192 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kcu h ALA 192 Cb 1.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3kcu h ALA 192 CO 0.14 -0.13 -0.15 1.19 0.00 0.00 0.00 179.25 180.29 3kcu n PHE 193 N -4.82 0.64 0.28 0.00 3.72 -0.55 -1.89 117.46 114.85 3kcu n PHE 193 Ca -0.05 0.19 0.17 0.00 -0.05 0.00 0.00 57.45 57.71 3kcu n PHE 193 Cb 0.19 -0.77 0.68 0.00 -0.94 0.00 0.00 39.48 38.65 3kcu n PHE 193 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3kcu h ILE 194 N 0.00 0.00 0.00 4.37 6.09 -1.70 -3.05 117.51 123.23 3kcu h ILE 194 Ca 0.00 -0.50 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3kcu h ILE 194 Cb 0.68 1.49 0.00 0.00 0.47 0.00 0.00 36.82 39.46 3kcu h ILE 194 CO 0.00 0.00 -0.55 0.23 -3.07 0.00 0.00 178.15 174.76 3kcu n MET 195 N -3.06 0.11 0.24 2.19 2.81 -0.79 -4.43 117.12 114.19 3kcu n MET 195 Ca 0.01 0.03 -0.15 0.00 -1.81 0.00 0.00 57.70 55.77 3kcu n MET 195 Cb 0.30 -1.56 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 3kcu n MET 195 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3kcu h VAL 196 N 0.00 0.56 0.06 2.03 2.07 -1.63 -2.02 116.25 117.32 3kcu h VAL 196 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kcu h VAL 196 Cb 0.59 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kcu h VAL 196 CO 0.00 0.04 -0.05 -0.07 0.02 0.00 0.00 177.57 177.51 3kcu h LEU 197 N -0.72 -0.11 -0.78 2.57 4.07 -1.79 0.66 115.31 119.20 3kcu h LEU 197 Ca -0.06 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 3kcu h LEU 197 Cb 0.52 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 3kcu h LEU 197 CO 0.10 -0.07 0.47 -0.65 -1.08 0.00 0.00 178.44 177.21 3kcu h PRO 198 N -0.11 1.06 0.02 1.13 0.11 -1.79 0.01 132.00 132.43 3kcu h PRO 198 Ca -0.00 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3kcu h PRO 198 Cb 0.10 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3kcu h PRO 198 CO -0.00 0.75 -0.01 0.28 -0.21 0.00 0.00 178.00 178.80 3kcu h VAL 199 N 1.07 1.28 -0.98 3.15 2.07 -1.23 -3.02 116.25 118.59 3kcu h VAL 199 Ca 0.28 -0.94 0.11 0.00 0.82 0.00 0.00 66.70 66.97 3kcu h VAL 199 Cb -0.04 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 3kcu h VAL 199 CO -0.05 0.24 0.62 0.00 0.02 0.00 0.00 177.57 178.40 3kcu h ALA 200 N 0.53 1.55 0.11 1.67 0.00 -0.61 -1.73 119.26 120.77 3kcu h ALA 200 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kcu h ALA 200 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kcu h ALA 200 CO 0.00 0.23 -0.13 1.98 0.00 0.00 0.00 179.25 181.34 3kcu h MET 201 N 0.98 -0.26 -0.21 0.00 -1.53 -0.97 0.17 114.93 113.11 3kcu h MET 201 Ca 0.47 0.02 -0.09 0.00 -3.44 0.00 0.00 59.70 56.66 3kcu h MET 201 Cb 0.44 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.54 3kcu h MET 201 CO -0.23 -0.18 -0.27 0.27 0.14 0.00 0.00 176.91 176.64 3kcu h PHE 202 N -0.27 0.45 -0.04 1.39 -5.15 -1.22 -1.03 116.94 111.06 3kcu h PHE 202 Ca 0.01 -0.09 -0.08 0.00 -0.20 0.00 0.00 57.97 57.61 3kcu h PHE 202 Cb 0.28 -0.11 0.00 0.00 0.22 0.00 0.00 35.95 36.34 3kcu h PHE 202 CO -0.14 0.64 -0.30 0.28 -2.00 0.00 0.00 178.31 176.79 3kcu h VAL 203 N 0.35 1.47 -0.30 0.88 2.07 -1.17 -0.59 116.25 118.96 3kcu h VAL 203 Ca 0.05 -1.80 -0.06 0.00 0.82 0.00 0.00 66.70 65.71 3kcu h VAL 203 Cb 0.66 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 3kcu h VAL 203 CO 0.05 0.51 -0.08 0.00 0.02 0.00 0.00 177.57 178.07 3kcu h ALA 204 N 0.36 1.32 0.00 1.67 0.00 -0.61 -1.46 119.26 120.54 3kcu h ALA 204 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kcu h ALA 204 Cb 0.98 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kcu h ALA 204 CO 0.06 0.46 0.00 0.43 0.00 0.00 0.00 179.25 180.20 3kcu n SER 205 N -4.24 0.00 -0.74 0.00 7.64 -0.40 -4.84 113.62 111.05 3kcu n SER 205 Ca 0.01 -0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.69 3kcu n SER 205 Cb 0.29 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 3kcu n SER 205 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcu n GLY 206 N 0.65 0.81 3.74 0.23 0.00 -0.55 -5.02 105.19 105.05 3kcu n GLY 206 Ca 0.12 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3kcu n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcu s PHE 207 N -2.35 2.28 -0.28 1.61 0.08 -0.25 -5.00 117.98 114.07 3kcu s PHE 207 Ca 0.00 1.63 -0.07 0.00 0.12 0.00 0.00 56.93 58.61 3kcu s PHE 207 Cb 0.00 -3.16 -0.01 0.00 -0.57 0.00 0.00 43.02 39.29 3kcu s PHE 207 CO 0.00 -2.12 0.08 -1.21 -0.10 0.00 0.00 175.22 171.87 3kcu s GLU 208 N -4.74 3.31 -0.25 0.44 0.41 -0.52 -4.79 118.70 112.57 3kcu s GLU 208 Ca 0.64 -0.71 -0.05 0.00 -0.41 0.00 0.00 54.97 54.43 3kcu s GLU 208 Cb -0.19 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 28.80 3kcu s GLU 208 CO 0.55 -0.34 0.02 -1.58 -0.49 0.00 0.00 175.26 173.41 3kcu s HIS 209 N 1.54 3.04 0.21 1.61 5.65 -1.26 -3.97 115.29 122.12 3kcu s HIS 209 Ca 0.04 -0.82 -0.10 0.00 0.25 0.00 0.00 55.06 54.43 3kcu s HIS 209 Cb -0.16 -2.17 0.18 0.00 -1.18 0.00 0.00 32.58 29.24 3kcu s HIS 209 CO 0.03 -0.50 1.85 0.66 -0.65 0.00 0.00 174.74 176.12 3kcu h SER 210 N 8.17 0.73 -0.26 9.88 4.64 -1.94 -0.17 113.55 134.60 3kcu h SER 210 Ca -0.38 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 3kcu h SER 210 Cb 1.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3kcu h SER 210 CO 0.59 0.51 -0.11 0.40 -0.87 0.00 0.00 176.83 177.35 3kcu h ILE 211 N 0.87 1.30 -0.98 0.95 1.08 -1.96 -2.06 117.51 116.70 3kcu h ILE 211 Ca 0.28 -1.18 0.10 0.00 -0.39 0.00 0.00 64.86 63.67 3kcu h ILE 211 Cb 0.00 1.53 -0.08 0.00 -3.07 0.00 0.00 36.82 35.20 3kcu h ILE 211 CO -0.10 0.37 0.61 0.00 -0.69 0.00 0.00 178.15 178.34 3kcu h ALA 212 N 0.74 1.44 0.00 1.87 0.00 -1.78 0.08 119.26 121.60 3kcu h ALA 212 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kcu h ALA 212 Cb 0.61 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kcu h ALA 212 CO 0.04 0.26 -0.08 -0.91 0.00 0.00 0.00 179.25 178.55 3kcu h ASN 213 N 1.01 0.00 0.62 0.00 2.35 -0.71 -2.31 115.58 116.53 3kcu h ASN 213 Ca 0.47 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.15 3kcu h ASN 213 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3kcu h ASN 213 CO -0.24 0.08 -0.34 0.24 -1.65 0.00 0.00 177.43 175.52 3kcu h MET 214 N 0.00 0.00 0.02 0.81 2.86 -0.26 -1.97 114.93 116.39 3kcu h MET 214 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kcu h MET 214 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3kcu h MET 214 CO 0.01 0.34 -0.01 0.35 1.06 0.00 0.00 176.91 178.67 3kcu h PHE 215 N 0.00 -0.02 -0.02 -0.22 3.57 -1.41 -3.39 116.94 115.45 3kcu h PHE 215 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kcu h PHE 215 Cb 0.75 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 3kcu h PHE 215 CO 0.00 0.54 0.00 1.98 -2.23 0.00 0.00 178.31 178.60 3kcu h MET 216 N -0.98 0.03 -0.21 1.11 4.05 -1.21 -0.35 114.93 117.37 3kcu h MET 216 Ca -0.00 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 3kcu h MET 216 Cb 0.57 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.36 3kcu h MET 216 CO 0.00 0.26 -0.18 0.82 0.23 0.00 0.00 176.91 178.04 3kcu h ILE 217 N -0.20 1.32 -0.79 1.77 2.04 -1.64 -0.70 117.51 119.30 3kcu h ILE 217 Ca 0.01 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3kcu h ILE 217 Cb 0.24 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 3kcu h ILE 217 CO 0.00 0.40 0.44 -0.65 0.00 0.00 0.00 178.15 178.34 3kcu h PRO 218 N 0.17 1.09 -0.52 2.37 0.11 -1.73 0.21 132.00 133.70 3kcu h PRO 218 Ca 0.04 -0.12 0.04 0.00 0.11 0.00 0.00 66.00 66.07 3kcu h PRO 218 Cb 0.71 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 3kcu h PRO 218 CO 0.05 0.80 0.27 1.98 -0.21 0.00 0.00 178.00 180.89 3kcu h MET 219 N 1.10 0.52 -0.56 1.05 4.05 -0.87 0.13 114.93 120.36 3kcu h MET 219 Ca 0.28 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 3kcu h MET 219 Cb 0.02 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 3kcu h MET 219 CO -0.05 0.34 0.36 0.78 0.23 0.00 0.00 176.91 178.58 3kcu h GLY 220 N 0.53 0.78 0.94 1.39 0.00 -0.42 -1.71 103.07 104.58 3kcu h GLY 220 Ca 0.22 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.28 3kcu h GLY 220 CO -0.14 0.28 0.14 -2.22 0.00 0.00 0.00 176.54 174.59 3kcu h ILE 221 N 0.74 1.02 -0.57 2.60 2.04 0.14 0.17 117.51 123.66 3kcu h ILE 221 Ca 0.21 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 66.01 3kcu h ILE 221 Cb -0.07 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3kcu h ILE 221 CO -0.05 0.05 0.32 0.58 0.00 0.00 0.00 178.15 179.05 3kcu h VAL 222 N 0.28 1.02 -0.15 1.67 2.07 -0.62 -0.31 116.25 120.21 3kcu h VAL 222 Ca 0.09 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3kcu h VAL 222 Cb -0.00 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3kcu h VAL 222 CO -0.05 0.12 -0.03 0.40 0.02 0.00 0.00 177.57 178.03 3kcu h ILE 223 N 0.63 1.28 -0.98 4.57 2.04 -1.11 0.67 117.51 124.60 3kcu h ILE 223 Ca 0.24 -0.95 0.09 0.00 1.00 0.00 0.00 64.86 65.24 3kcu h ILE 223 Cb 0.08 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 3kcu h ILE 223 CO -0.13 0.28 0.62 -0.09 0.00 0.00 0.00 178.15 178.84 3kcu h ARG 224 N 0.00 1.04 0.00 2.37 2.43 -0.63 0.32 114.38 119.91 3kcu h ARG 224 Ca 0.04 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 3kcu h ARG 224 Cb 0.44 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3kcu h ARG 224 CO 0.01 0.69 -1.23 -0.44 -1.51 0.00 0.00 179.97 177.49 3kcu h ASP 225 N 1.07 0.00 -0.00 -3.80 3.32 -0.86 -3.39 116.42 112.75 3kcu h ASP 225 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3kcu h ASP 225 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kcu h ASP 225 CO -0.21 0.88 -0.02 0.49 -1.72 0.00 0.00 179.24 178.66 3kcu n PHE 226 N -3.17 0.00 -1.66 4.55 3.72 0.21 -5.03 117.46 116.09 3kcu n PHE 226 Ca -0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.90 3kcu n PHE 226 Cb 0.94 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.47 3kcu n PHE 226 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcu n ALA 227 N -0.03 0.73 -1.31 4.37 0.00 0.08 -4.98 120.51 119.37 3kcu n ALA 227 Ca 0.01 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 3kcu n ALA 227 Cb 0.06 -2.17 0.13 0.00 0.00 0.00 0.00 19.45 17.48 3kcu n ALA 227 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kcu s SER 228 N -0.34 3.53 0.34 0.00 1.04 -1.26 -4.93 113.70 112.07 3kcu s SER 228 Ca 0.58 1.33 0.03 0.00 0.48 0.00 0.00 55.95 58.37 3kcu s SER 228 Cb -0.63 -2.01 0.61 0.00 0.10 0.00 0.00 66.02 64.09 3kcu s SER 228 CO 0.60 -2.58 1.94 -0.65 0.98 0.00 0.00 173.24 173.53 3kcu h PRO 229 N -1.51 0.70 -0.78 4.02 0.11 -2.00 -2.81 132.00 129.73 3kcu h PRO 229 Ca -0.50 -0.09 0.06 0.00 0.11 0.00 0.00 66.00 65.58 3kcu h PRO 229 Cb 1.29 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3kcu h PRO 229 CO 0.57 0.57 0.47 0.93 -0.21 0.00 0.00 178.00 180.32 3kcu h GLU 230 N 0.70 0.82 -0.15 1.05 3.07 -1.99 -0.62 114.58 117.47 3kcu h GLU 230 Ca 0.17 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3kcu h GLU 230 Cb 0.11 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 3kcu h GLU 230 CO -0.02 0.54 0.10 0.35 -1.40 0.00 0.00 179.01 178.58 3kcu h PHE 231 N 0.85 0.19 -0.79 4.33 3.57 -1.86 0.12 116.94 123.33 3kcu h PHE 231 Ca 0.35 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 3kcu h PHE 231 Cb 0.20 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 3kcu h PHE 231 CO -0.05 0.12 0.41 -1.49 -2.23 0.00 0.00 178.31 175.07 3kcu h TRP 232 N 0.19 1.11 -0.52 0.41 4.06 -1.33 -1.75 115.95 118.13 3kcu h TRP 232 Ca 0.05 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 3kcu h TRP 232 Cb -0.01 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 27.77 3kcu h TRP 232 CO -0.07 0.80 0.32 1.15 -3.56 0.00 0.00 178.44 177.08 3kcu h THR 233 N 1.11 1.16 -0.68 1.49 2.02 -0.89 -1.64 112.91 115.47 3kcu h THR 233 Ca 0.28 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 67.19 3kcu h THR 233 Cb 0.07 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 3kcu h THR 233 CO -0.04 0.16 0.45 0.00 0.37 0.00 0.00 175.52 176.46 3kcu h ALA 234 N 1.16 1.80 -0.01 6.16 0.00 0.06 -3.07 119.26 125.36 3kcu h ALA 234 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kcu h ALA 234 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kcu h ALA 234 CO -0.04 0.08 -0.54 1.55 0.00 0.00 0.00 179.25 180.30 3kcu n VAL 235 N -4.48 0.00 -2.69 0.00 3.14 -0.74 -4.95 118.33 108.62 3kcu n VAL 235 Ca 0.10 -0.23 -0.10 0.00 -2.96 0.00 0.00 64.34 61.15 3kcu n VAL 235 Cb 0.27 1.10 0.02 0.00 -1.06 0.00 0.00 33.84 34.17 3kcu n VAL 235 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kcu n GLY 236 N 1.27 0.16 0.00 7.55 0.00 -0.65 -5.00 105.19 108.52 3kcu n GLY 236 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3kcu n GLY 236 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kcu n SER 237 N -0.27 0.00 -3.47 1.61 2.88 -1.01 -5.07 113.62 108.29 3kcu n SER 237 Ca -0.04 -0.60 -0.13 0.00 -1.33 0.00 0.00 58.87 56.77 3kcu n SER 237 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 3kcu n SER 237 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kcu s ALA 238 N -1.69 -1.71 0.34 -1.46 0.00 -1.26 -4.62 121.76 111.36 3kcu s ALA 238 Ca 0.00 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.92 3kcu s ALA 238 Cb 0.00 0.46 0.78 0.00 0.00 0.00 0.00 23.12 24.35 3kcu s ALA 238 CO 0.00 -0.62 1.87 -1.35 0.00 0.00 0.00 175.76 175.66 3kcu h PRO 239 N 2.30 0.72 0.00 0.00 0.11 -1.98 -1.65 132.00 131.49 3kcu h PRO 239 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kcu h PRO 239 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kcu h PRO 239 CO 0.36 0.48 0.00 0.93 -0.21 0.00 0.00 178.00 179.56 3kcu h GLU 240 N 0.74 0.00 0.00 1.05 3.07 -1.97 -0.95 114.58 116.53 3kcu h GLU 240 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 3kcu h GLU 240 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3kcu h GLU 240 CO -0.21 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.49 3kcu n ASN 241 N -2.52 0.02 -2.39 1.42 3.02 -0.62 -3.44 115.26 110.76 3kcu n ASN 241 Ca 0.00 0.50 -0.17 0.00 -0.03 0.00 0.00 54.58 54.89 3kcu n ASN 241 Cb 0.19 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 38.87 3kcu n ASN 241 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3kcu n PHE 242 N -1.52 2.36 0.27 3.10 3.72 -0.36 -4.91 117.46 120.12 3kcu n PHE 242 Ca 0.05 -2.46 0.10 0.00 -0.05 0.00 0.00 57.45 55.10 3kcu n PHE 242 Cb 0.27 -0.26 0.48 0.00 -0.94 0.00 0.00 39.48 39.02 3kcu n PHE 242 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kcu n SER 243 N -0.56 0.52 -0.28 4.37 3.41 -1.22 -1.61 113.62 118.25 3kcu n SER 243 Ca 0.30 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.72 3kcu n SER 243 Cb 0.85 -0.77 0.32 0.00 -0.26 0.00 0.00 64.21 64.35 3kcu n SER 243 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kcu n HIS 244 N -2.13 0.00 -2.45 7.33 8.25 -1.26 -4.61 115.22 120.35 3kcu n HIS 244 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 3kcu n HIS 244 Cb 0.13 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 3kcu n HIS 244 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kcu n LEU 245 N -0.56 4.79 -4.37 2.41 4.77 -0.63 -4.67 117.00 118.74 3kcu n LEU 245 Ca 0.12 -3.82 -0.19 0.00 -0.03 0.00 0.00 56.01 52.09 3kcu n LEU 245 Cb 0.36 -1.74 -0.10 0.00 -2.33 0.00 0.00 43.42 39.61 3kcu n LEU 245 CO 0.26 -0.07 -0.36 0.42 -1.33 0.00 0.00 177.39 176.31 3kcu s THR 246 N 5.12 1.39 0.09 -5.08 -4.23 -1.26 -4.75 115.64 106.91 3kcu s THR 246 Ca 0.56 -2.09 -0.25 0.00 -1.18 0.00 0.00 61.69 58.72 3kcu s THR 246 Cb 0.04 -2.34 -0.15 0.00 1.34 0.00 0.00 72.50 71.39 3kcu s THR 246 CO 0.08 -0.36 1.71 0.58 -0.54 0.00 0.00 174.62 176.09 3kcu h VAL 247 N 2.40 0.80 -0.35 2.29 2.07 -1.98 -0.28 116.25 121.21 3kcu h VAL 247 Ca -0.39 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.21 3kcu h VAL 247 Cb 1.23 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 3kcu h VAL 247 CO 0.66 0.00 -0.17 -0.03 0.02 0.00 0.00 177.57 178.05 3kcu h MET 248 N -0.24 -0.11 -0.43 1.57 1.85 -1.97 0.14 114.93 115.74 3kcu h MET 248 Ca -0.02 0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.01 3kcu h MET 248 Cb 0.20 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 3kcu h MET 248 CO 0.02 -0.07 -0.01 -0.91 -0.40 0.00 0.00 176.91 175.54 3kcu h ASN 249 N -0.11 0.67 0.57 1.39 2.35 -1.78 -0.74 115.58 117.93 3kcu h ASN 249 Ca 0.18 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3kcu h ASN 249 Cb 0.38 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3kcu h ASN 249 CO -0.42 0.75 -0.36 0.15 -1.65 0.00 0.00 177.43 175.89 3kcu h PHE 250 N 0.66 -0.96 -0.29 1.19 3.57 -0.24 0.67 116.94 121.54 3kcu h PHE 250 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3kcu h PHE 250 Cb 0.43 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3kcu h PHE 250 CO 0.02 -0.55 0.18 0.82 -2.23 0.00 0.00 178.31 176.55 3kcu h ILE 251 N -0.89 1.06 0.13 1.41 2.04 -0.69 -0.54 117.51 120.04 3kcu h ILE 251 Ca -0.07 -0.13 -0.24 0.00 1.00 0.00 0.00 64.86 65.42 3kcu h ILE 251 Cb 0.73 0.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3kcu h ILE 251 CO 0.06 0.07 -1.17 0.71 0.00 0.00 0.00 178.15 177.82 3kcu h THR 252 N 0.38 1.24 0.00 -0.27 1.35 -1.11 -0.82 112.91 113.68 3kcu h THR 252 Ca 0.11 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 3kcu h THR 252 Cb -0.03 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3kcu h THR 252 CO -0.03 0.71 -0.55 0.44 -0.25 0.00 0.00 175.52 175.84 3kcu h ASP 253 N -0.31 0.00 0.00 5.36 3.45 -0.96 -3.41 116.42 120.55 3kcu h ASP 253 Ca -0.24 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.18 3kcu h ASP 253 Cb 1.74 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.51 3kcu h ASP 253 CO 0.11 0.02 0.00 -3.20 -1.57 0.00 0.00 179.24 174.60 3kcu n ASN 254 N -2.66 0.75 -0.20 6.45 2.85 -0.93 -4.75 115.26 116.76 3kcu n ASN 254 Ca 0.02 0.14 -0.06 0.00 -0.11 0.00 0.00 54.58 54.57 3kcu n ASN 254 Cb 0.51 -0.19 0.03 0.00 1.24 0.00 0.00 39.78 41.37 3kcu n ASN 254 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3kcu h LEU 255 N 0.00 0.67 0.74 1.20 5.85 -0.97 0.11 115.31 122.91 3kcu h LEU 255 Ca 0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3kcu h LEU 255 Cb 0.00 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 40.87 3kcu h LEU 255 CO 0.00 0.48 -0.36 0.40 -0.34 0.00 0.00 178.44 178.63 3kcu h ILE 256 N 0.79 0.00 -0.48 4.05 2.04 -1.38 -0.41 117.51 122.13 3kcu h ILE 256 Ca 0.21 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 3kcu h ILE 256 Cb -0.09 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 35.97 3kcu h ILE 256 CO -0.05 0.00 0.15 -0.65 0.00 0.00 0.00 178.15 177.61 3kcu h PRO 257 N -1.06 0.69 -0.36 2.37 0.11 -1.76 -1.01 132.00 130.99 3kcu h PRO 257 Ca -0.10 -0.11 -0.09 0.00 0.11 0.00 0.00 66.00 65.81 3kcu h PRO 257 Cb 0.76 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3kcu h PRO 257 CO 0.17 0.60 -0.11 0.28 -0.21 0.00 0.00 178.00 178.73 3kcu h VAL 258 N 0.68 1.28 -0.22 3.15 2.07 -0.81 0.05 116.25 122.46 3kcu h VAL 258 Ca 0.16 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3kcu h VAL 258 Cb 0.19 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3kcu h VAL 258 CO -0.01 0.40 0.13 0.74 0.02 0.00 0.00 177.57 178.84 3kcu h THR 259 N 0.51 1.10 -0.41 2.57 2.02 -0.66 0.22 112.91 118.26 3kcu h THR 259 Ca 0.09 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 67.09 3kcu h THR 259 Cb 0.63 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 3kcu h THR 259 CO 0.04 0.09 0.02 0.40 0.37 0.00 0.00 175.52 176.44 3kcu h ILE 260 N 0.26 0.71 -0.39 3.11 2.04 -1.16 -0.90 117.51 121.19 3kcu h ILE 260 Ca 0.08 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3kcu h ILE 260 Cb 0.04 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3kcu h ILE 260 CO -0.01 0.02 0.21 1.23 0.00 0.00 0.00 178.15 179.60 3kcu h GLY 261 N 0.13 0.59 0.23 5.37 0.00 -0.50 -0.74 103.07 108.15 3kcu h GLY 261 Ca 0.20 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.32 3kcu h GLY 261 CO -0.32 0.26 -0.20 3.43 0.00 0.00 0.00 176.54 179.72 3kcu h ASN 262 N 0.50 -0.65 -0.48 0.19 -0.26 -0.33 0.12 115.58 114.67 3kcu h ASN 262 Ca 0.14 0.13 0.05 0.00 -0.56 0.00 0.00 56.30 56.05 3kcu h ASN 262 Cb 0.07 0.32 -0.05 0.00 -1.06 0.00 0.00 38.32 37.60 3kcu h ASN 262 CO -0.02 -0.24 0.21 0.40 -1.06 0.00 0.00 177.43 176.72 3kcu h ILE 263 N -0.20 0.91 -0.15 2.81 2.04 -0.68 -1.22 117.51 121.02 3kcu h ILE 263 Ca 0.14 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3kcu h ILE 263 Cb 0.41 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3kcu h ILE 263 CO -0.36 0.08 0.09 0.40 0.00 0.00 0.00 178.15 178.36 3kcu h ILE 264 N 0.42 1.08 -0.39 -0.67 2.04 -0.71 0.25 117.51 119.54 3kcu h ILE 264 Ca 0.22 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.96 3kcu h ILE 264 Cb 0.17 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 3kcu h ILE 264 CO -0.18 0.07 -0.23 1.23 0.00 0.00 0.00 178.15 179.04 3kcu h GLY 265 N 0.16 -0.01 1.65 5.37 0.00 -0.17 0.18 103.07 110.25 3kcu h GLY 265 Ca 0.05 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 3kcu h GLY 265 CO -0.01 -0.20 -0.05 -1.33 0.00 0.00 0.00 176.54 174.95 3kcu h GLY 266 N -0.17 0.46 1.11 4.60 0.00 -1.12 -2.92 103.07 105.04 3kcu h GLY 266 Ca 0.19 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3kcu h GLY 266 CO -0.49 0.26 0.06 -1.33 0.00 0.00 0.00 176.54 175.05 3kcu h GLY 267 N 0.81 1.16 0.93 4.60 0.00 0.72 -1.59 103.07 109.70 3kcu h GLY 267 Ca 0.09 -0.80 0.04 0.00 0.00 0.00 0.00 47.33 46.66 3kcu h GLY 267 CO 0.02 0.74 0.62 1.41 0.00 0.00 0.00 176.54 179.33 3kcu h LEU 268 N 1.00 1.03 -0.10 3.11 3.38 -0.53 -0.40 115.31 122.80 3kcu h LEU 268 Ca 0.19 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 3kcu h LEU 268 Cb 0.48 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kcu h LEU 268 CO 0.02 0.70 -0.79 -0.07 0.09 0.00 0.00 178.44 178.39 3kcu h LEU 269 N 1.19 0.86 -0.29 1.67 3.38 -1.43 -1.62 115.31 119.07 3kcu h LEU 269 Ca 0.38 -0.67 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kcu h LEU 269 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3kcu h LEU 269 CO -0.12 1.40 0.08 0.58 0.09 0.00 0.00 178.44 180.47 3kcu h VAL 270 N 0.40 0.90 0.00 1.22 2.07 -0.99 0.15 116.25 120.00 3kcu h VAL 270 Ca -0.07 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3kcu h VAL 270 Cb 1.43 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3kcu h VAL 270 CO 0.16 0.04 -0.07 1.23 0.02 0.00 0.00 177.57 178.95 3kcu h GLY 271 N 0.20 0.00 1.42 2.17 0.00 -1.06 -2.00 103.07 103.81 3kcu h GLY 271 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.15 3kcu h GLY 271 CO -0.15 0.00 -1.39 -2.00 0.00 0.00 0.00 176.54 173.01 3kcu h LEU 272 N 0.00 0.62 -0.51 3.11 7.12 -0.85 -3.31 115.31 121.49 3kcu h LEU 272 Ca -0.00 -0.68 0.00 0.00 0.13 0.00 0.00 57.88 57.34 3kcu h LEU 272 Cb 0.55 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 3kcu h LEU 272 CO 0.01 1.54 0.34 0.74 -0.13 0.00 0.00 178.44 180.93 3kcu h THR 273 N 0.11 1.13 0.32 1.05 2.02 -0.44 -3.06 112.91 114.04 3kcu h THR 273 Ca -0.20 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3kcu h THR 273 Cb 2.07 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3kcu h THR 273 CO 0.23 0.13 -0.15 1.88 0.37 0.00 0.00 175.52 177.98 3kcu h TYR 274 N 0.69 -0.39 -0.70 3.16 0.05 -1.50 -1.51 116.97 116.76 3kcu h TYR 274 Ca 0.19 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 59.16 3kcu h TYR 274 Cb -0.08 0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 3kcu h TYR 274 CO -0.04 -0.24 0.65 -1.49 -1.05 0.00 0.00 178.16 175.99 3kcu h TRP 275 N -0.43 0.00 -0.02 4.88 4.06 -1.64 -3.52 115.95 119.28 3kcu h TRP 275 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 3kcu h TRP 275 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3kcu h TRP 275 CO -0.05 0.00 0.00 0.28 -3.56 0.00 0.00 178.44 175.11