#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcu h PRO 31 N 0.00 0.66 -0.48 -0.41 0.11 -2.04 0.24 132.00 130.07 3kcu h PRO 31 Ca 0.00 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 3kcu h PRO 31 Cb 0.00 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 3kcu h PRO 31 CO 0.00 0.44 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.07 3kcu h LEU 32 N 0.68 0.91 -0.60 2.35 -0.00 -2.04 -0.77 115.31 115.84 3kcu h LEU 32 Ca 0.41 -0.35 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 3kcu h LEU 32 Cb 0.46 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 3kcu h LEU 32 CO -0.29 1.05 0.29 0.50 -0.00 0.00 0.00 178.44 179.99 3kcu h LYS 33 N 0.76 0.87 -0.00 1.13 3.64 -1.63 -2.64 116.57 118.70 3kcu h LYS 33 Ca 0.13 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kcu h LYS 33 Cb 0.63 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3kcu h LYS 33 CO 0.04 0.70 -0.00 1.15 -2.27 0.00 0.00 179.45 179.07 3kcu h THR 34 N 0.83 0.99 -0.50 1.00 2.02 -0.46 -1.97 112.91 114.82 3kcu h THR 34 Ca 0.21 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.48 3kcu h THR 34 Cb 0.11 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 67.44 3kcu h THR 34 CO -0.03 0.00 0.05 0.15 0.37 0.00 0.00 175.52 176.06 3kcu h PHE 35 N -0.00 0.06 -0.64 3.16 3.57 -0.92 0.12 116.94 122.29 3kcu h PHE 35 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 3kcu h PHE 35 Cb 0.01 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3kcu h PHE 35 CO -0.08 -0.07 0.06 1.88 -2.23 0.00 0.00 178.31 177.87 3kcu h TYR 36 N 0.17 1.16 0.00 0.41 0.05 -1.39 -0.46 116.97 116.91 3kcu h TYR 36 Ca 0.26 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3kcu h TYR 36 Cb 0.37 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 3kcu h TYR 36 CO -0.28 1.00 -0.05 -0.07 -1.05 0.00 0.00 178.16 177.72 3kcu h LEU 37 N 0.99 0.00 0.05 3.88 3.38 -0.52 0.30 115.31 123.38 3kcu h LEU 37 Ca 0.19 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 3kcu h LEU 37 Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3kcu h LEU 37 CO 0.02 0.05 -0.54 0.00 0.09 0.00 0.00 178.44 178.06 3kcu h ALA 38 N 1.95 0.00 -0.93 1.53 0.00 0.14 0.10 119.26 122.06 3kcu h ALA 38 Ca -0.00 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.42 3kcu h ALA 38 Cb 0.35 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3kcu h ALA 38 CO 0.01 0.27 0.57 0.82 0.00 0.00 0.00 179.25 180.91 3kcu h ILE 39 N -0.36 0.95 -0.32 0.00 2.04 -0.64 -1.63 117.51 117.55 3kcu h ILE 39 Ca -0.08 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.48 3kcu h ILE 39 Cb 1.33 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3kcu h ILE 39 CO 0.10 0.17 0.14 0.74 0.00 0.00 0.00 178.15 179.30 3kcu h THR 40 N 0.94 0.95 -0.46 -0.27 2.02 -0.92 -1.29 112.91 113.87 3kcu h THR 40 Ca 0.44 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.44 3kcu h THR 40 Cb 0.37 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3kcu h THR 40 CO -0.24 0.05 -0.03 0.00 0.37 0.00 0.00 175.52 175.67 3kcu h ALA 41 N 1.19 1.08 -0.82 6.16 0.00 -0.91 0.15 119.26 126.09 3kcu h ALA 41 Ca 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kcu h ALA 41 Cb 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3kcu h ALA 41 CO -0.12 0.58 0.51 0.78 0.00 0.00 0.00 179.25 181.00 3kcu h GLY 42 N 0.97 1.18 0.97 0.00 0.00 -0.99 0.46 103.07 105.66 3kcu h GLY 42 Ca 0.14 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3kcu h GLY 42 CO 0.02 0.46 0.00 -2.08 0.00 0.00 0.00 176.54 174.95 3kcu h VAL 43 N 1.12 1.03 -0.08 4.60 2.07 -0.41 -1.83 116.25 122.75 3kcu h VAL 43 Ca 0.30 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.75 3kcu h VAL 43 Cb -0.07 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3kcu h VAL 43 CO -0.06 0.02 0.00 -0.26 0.02 0.00 0.00 177.57 177.29 3kcu h PHE 44 N -0.03 -0.00 -0.22 1.57 0.04 0.05 -0.89 116.94 117.46 3kcu h PHE 44 Ca 0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3kcu h PHE 44 Cb 0.03 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3kcu h PHE 44 CO -0.07 -0.01 -0.01 0.97 -0.60 0.00 0.00 178.31 178.59 3kcu h ILE 45 N 0.03 1.15 -0.27 -0.55 6.09 -0.11 -0.99 117.51 122.86 3kcu h ILE 45 Ca 0.04 -0.58 -0.07 0.00 -1.37 0.00 0.00 64.86 62.88 3kcu h ILE 45 Cb 0.04 1.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.32 3kcu h ILE 45 CO -0.06 0.19 -0.09 0.28 -3.07 0.00 0.00 178.15 175.40 3kcu h SER 46 N 0.32 0.54 -0.82 2.19 0.02 -0.90 -2.31 113.55 112.59 3kcu h SER 46 Ca 0.07 -0.38 0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3kcu h SER 46 Cb 0.24 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 62.54 3kcu h SER 46 CO 0.01 0.80 0.42 0.40 -1.14 0.00 0.00 176.83 177.32 3kcu h ILE 47 N 0.27 0.77 -0.26 3.27 2.04 -0.63 0.51 117.51 123.48 3kcu h ILE 47 Ca 0.06 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3kcu h ILE 47 Cb 0.58 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3kcu h ILE 47 CO 0.03 0.12 -0.05 0.00 0.00 0.00 0.00 178.15 178.25 3kcu h ALA 48 N 1.52 0.19 -0.10 1.87 0.00 -0.84 -0.85 119.26 121.05 3kcu h ALA 48 Ca 0.43 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.29 3kcu h ALA 48 Cb 0.56 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3kcu h ALA 48 CO -0.33 -0.46 -0.57 0.74 0.00 0.00 0.00 179.25 178.63 3kcu h PHE 49 N 0.02 0.40 -0.61 0.00 0.04 -0.80 -1.45 116.94 114.54 3kcu h PHE 49 Ca 0.12 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3kcu h PHE 49 Cb 0.18 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 3kcu h PHE 49 CO -0.24 0.81 0.36 0.28 -0.60 0.00 0.00 178.31 178.92 3kcu h VAL 50 N 0.24 1.19 -0.67 -0.55 2.07 -0.51 0.25 116.25 118.27 3kcu h VAL 50 Ca -0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3kcu h VAL 50 Cb 1.08 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3kcu h VAL 50 CO 0.09 0.20 0.32 0.15 0.02 0.00 0.00 177.57 178.35 3kcu h PHE 51 N 0.83 0.98 -0.49 1.57 3.04 -0.84 -0.13 116.94 121.90 3kcu h PHE 51 Ca 0.22 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 3kcu h PHE 51 Cb 0.00 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.19 3kcu h PHE 51 CO -0.02 0.74 0.27 -0.92 -2.02 0.00 0.00 178.31 176.36 3kcu h TYR 52 N 0.94 0.66 -0.42 0.41 3.20 -0.73 0.94 116.97 121.97 3kcu h TYR 52 Ca 0.23 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 3kcu h TYR 52 Cb 0.13 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3kcu h TYR 52 CO 0.01 0.49 0.01 0.82 -1.64 0.00 0.00 178.16 177.84 3kcu h ILE 53 N 0.65 1.26 -0.12 1.81 1.08 -0.58 -1.60 117.51 120.00 3kcu h ILE 53 Ca 0.17 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 3kcu h ILE 53 Cb 0.04 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 3kcu h ILE 53 CO -0.03 0.35 0.07 0.74 -0.69 0.00 0.00 178.15 178.59 3kcu h THR 54 N 0.57 1.06 -0.82 -0.27 2.02 -0.73 -0.96 112.91 113.77 3kcu h THR 54 Ca 0.12 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.18 3kcu h THR 54 Cb 0.48 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3kcu h THR 54 CO 0.02 0.05 0.54 0.00 0.37 0.00 0.00 175.52 176.51 3kcu h ALA 55 N 1.01 1.49 -0.02 6.16 0.00 -0.72 -2.89 119.26 124.29 3kcu h ALA 55 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kcu h ALA 55 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kcu h ALA 55 CO -0.01 0.43 -0.25 0.25 0.00 0.00 0.00 179.25 179.67 3kcu n THR 56 N -4.44 0.00 -1.93 0.00 -2.24 -0.61 -4.88 114.28 100.17 3kcu n THR 56 Ca 0.11 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3kcu n THR 56 Cb 0.10 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.34 2.84 -0.04 4.28 2.01 -0.39 -2.59 115.64 119.41 3kcu s THR 57 Ca 0.25 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.72 3kcu s THR 57 Cb 0.19 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3kcu s THR 57 CO 0.47 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 3kcu n GLY 58 N 3.87 0.45 2.22 4.40 0.00 -1.26 -4.95 105.19 109.91 3kcu n GLY 58 Ca 0.15 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.98 3.38 0.21 2.61 -2.24 -1.07 -4.60 114.28 109.60 3kcu n THR 59 Ca -0.00 -2.81 0.10 0.00 -2.27 0.00 0.00 64.05 59.07 3kcu n THR 59 Cb 0.02 -0.95 0.35 0.00 -2.10 0.00 0.00 70.33 67.64 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 1.73 0.00 1.16 3.38 0.00 -1.93 -3.15 103.07 104.27 3kcu h GLY 60 Ca 0.57 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.69 3kcu h GLY 60 CO 1.35 0.00 -1.41 -0.91 0.00 0.00 0.00 176.54 175.57 3kcu h THR 61 N 0.00 0.76 -4.08 4.70 1.35 -2.01 -3.47 112.91 110.16 3kcu h THR 61 Ca -0.00 -2.40 -0.54 0.00 -0.55 0.00 0.00 66.41 62.92 3kcu h THR 61 Cb 0.89 2.28 0.13 0.00 -1.73 0.00 0.00 68.15 69.73 3kcu h THR 61 CO 0.03 0.43 0.53 -0.32 -0.25 0.00 0.00 175.52 175.94 3kcu s MET 62 N -2.79 2.93 0.09 4.72 0.00 -1.19 -4.93 119.30 118.13 3kcu s MET 62 Ca -0.03 2.04 -0.35 0.00 0.00 0.00 0.00 55.69 57.35 3kcu s MET 62 Cb 0.08 -2.03 -0.14 0.00 0.00 0.00 0.00 34.83 32.74 3kcu s MET 62 CO 0.81 -1.29 1.60 -2.30 0.00 0.00 0.00 175.02 173.84 3kcu n PRO 63 N -1.45 1.96 -0.40 4.11 -0.02 -1.26 -4.86 135.00 133.08 3kcu n PRO 63 Ca 0.13 0.71 -0.06 0.00 -2.02 0.00 0.00 63.50 62.26 3kcu n PRO 63 Cb 0.48 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3kcu n PRO 63 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kcu h PHE 64 N 6.36 -1.51 -0.46 6.00 3.57 -1.91 -1.13 116.94 127.86 3kcu h PHE 64 Ca -0.46 0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.12 3kcu h PHE 64 Cb 1.27 0.80 -0.02 0.00 2.79 0.00 0.00 35.95 40.79 3kcu h PHE 64 CO 0.67 -0.39 0.12 0.78 -2.23 0.00 0.00 178.31 177.26 3kcu h GLY 65 N -0.00 0.74 0.66 2.40 0.00 -1.96 -1.57 103.07 103.34 3kcu h GLY 65 Ca 0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3kcu h GLY 65 CO -0.96 0.38 -0.07 -0.33 0.00 0.00 0.00 176.54 175.56 3kcu h MET 66 N 0.67 0.21 -0.82 4.80 2.86 -1.61 0.52 114.93 121.57 3kcu h MET 66 Ca 0.15 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3kcu h MET 66 Cb 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3kcu h MET 66 CO -0.00 0.61 0.52 0.00 1.06 0.00 0.00 176.91 179.10 3kcu h ALA 67 N 0.60 1.07 -0.30 6.32 0.00 -1.23 -1.54 119.26 124.18 3kcu h ALA 67 Ca 0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3kcu h ALA 67 Cb 0.56 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kcu h ALA 67 CO 0.02 0.35 -0.48 0.87 0.00 0.00 0.00 179.25 180.01 3kcu h LYS 68 N 1.02 0.82 -0.33 0.00 6.56 -1.19 -1.74 116.57 121.70 3kcu h LYS 68 Ca 0.32 -0.48 0.03 0.00 -1.06 0.00 0.00 60.65 59.46 3kcu h LYS 68 Cb 0.00 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 3kcu h LYS 68 CO -0.11 1.11 0.16 1.25 -2.06 0.00 0.00 179.45 179.79 3kcu h LEU 69 N 0.65 0.22 -0.14 2.94 5.85 -0.56 -0.26 115.31 124.01 3kcu h LEU 69 Ca 0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kcu h LEU 69 Cb 1.06 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3kcu h LEU 69 CO 0.11 0.17 0.08 0.58 -0.34 0.00 0.00 178.44 179.03 3kcu h VAL 70 N 0.33 1.09 -0.96 1.05 2.07 -1.14 -1.30 116.25 117.38 3kcu h VAL 70 Ca 0.14 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.54 3kcu h VAL 70 Cb 0.06 1.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 3kcu h VAL 70 CO -0.10 0.08 0.58 1.23 0.02 0.00 0.00 177.57 179.38 3kcu h GLY 71 N 0.13 1.59 1.85 2.17 0.00 -1.09 -1.53 103.07 106.20 3kcu h GLY 71 Ca 0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3kcu h GLY 71 CO -0.01 0.10 -0.48 -1.33 0.00 0.00 0.00 176.54 174.82 3kcu h GLY 72 N 0.89 0.17 0.95 4.60 0.00 -0.48 -0.37 103.07 108.84 3kcu h GLY 72 Ca 0.49 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.58 3kcu h GLY 72 CO -0.29 0.16 -0.01 -2.22 0.00 0.00 0.00 176.54 174.18 3kcu h ILE 73 N 0.13 1.26 -0.80 2.60 2.04 -0.41 -2.96 117.51 119.37 3kcu h ILE 73 Ca 0.01 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3kcu h ILE 73 Cb 0.90 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3kcu h ILE 73 CO 0.07 0.35 0.33 0.00 0.00 0.00 0.00 178.15 178.89 3kcu h PHE 75 N 1.17 0.07 -0.01 0.00 3.57 -0.95 -2.12 116.94 118.67 3kcu h PHE 75 Ca 0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3kcu h PHE 75 Cb 0.21 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3kcu h PHE 75 CO 0.02 0.04 0.01 0.66 -2.23 0.00 0.00 178.31 176.81 3kcu h SER 76 N 0.07 0.00 -0.90 0.41 4.64 -1.33 -0.38 113.55 116.05 3kcu h SER 76 Ca 0.12 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.67 3kcu h SER 76 Cb 0.39 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.31 3kcu h SER 76 CO -0.01 0.00 -0.06 -0.11 -0.87 0.00 0.00 176.83 175.78 3kcu n LEU 77 N -3.86 -0.18 -0.14 5.97 0.00 -0.80 -1.15 117.00 116.84 3kcu n LEU 77 Ca -0.03 1.54 -0.07 0.00 0.00 0.00 0.00 56.01 57.45 3kcu n LEU 77 Cb 0.09 -0.53 0.01 0.00 0.00 0.00 0.00 43.42 42.99 3kcu n LEU 77 CO 0.28 -1.54 1.04 1.23 0.00 0.00 0.00 177.39 178.40 3kcu h GLY 78 N 0.00 0.61 1.36 -3.96 0.00 -1.28 0.17 103.07 99.98 3kcu h GLY 78 Ca 0.51 -0.21 -0.23 0.00 0.00 0.00 0.00 47.33 47.40 3kcu h GLY 78 CO -0.88 0.19 -0.90 -2.00 0.00 0.00 0.00 176.54 172.95 3kcu h LEU 79 N 0.54 0.74 -0.54 3.11 5.85 -1.49 -1.51 115.31 122.03 3kcu h LEU 79 Ca 0.17 -0.55 0.08 0.00 0.84 0.00 0.00 57.88 58.41 3kcu h LEU 79 Cb -0.02 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 3kcu h LEU 79 CO -0.06 1.34 0.19 0.40 -0.34 0.00 0.00 178.44 179.97 3kcu h ILE 80 N 0.36 0.81 -0.35 4.05 2.04 -0.83 -0.39 117.51 123.21 3kcu h ILE 80 Ca -0.08 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3kcu h ILE 80 Cb 1.53 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3kcu h ILE 80 CO 0.17 0.07 0.17 -0.07 0.00 0.00 0.00 178.15 178.49 3kcu h LEU 81 N 0.37 0.24 -0.15 1.44 4.07 -0.49 -0.69 115.31 120.10 3kcu h LEU 81 Ca 0.26 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 3kcu h LEU 81 Cb 0.29 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3kcu h LEU 81 CO -0.26 0.18 0.09 0.00 -1.08 0.00 0.00 178.44 177.36 3kcu h VAL 83 N 0.15 1.34 -0.26 0.00 2.07 -1.03 0.94 116.25 119.47 3kcu h VAL 83 Ca 0.05 -1.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.01 3kcu h VAL 83 Cb 0.05 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3kcu h VAL 83 CO -0.01 0.43 -0.44 0.58 0.02 0.00 0.00 177.57 178.15 3kcu h VAL 84 N 0.10 1.30 -0.06 2.57 2.07 -1.17 -3.15 116.25 117.91 3kcu h VAL 84 Ca 0.02 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3kcu h VAL 84 Cb 0.78 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3kcu h VAL 84 CO 0.05 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.16 3kcu n GLY 86 N 1.25 0.03 3.89 0.00 0.00 -0.75 -5.02 105.19 104.59 3kcu n GLY 86 Ca 0.17 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.45 3.03 -0.47 4.61 0.00 0.25 -4.98 121.76 121.74 3kcu s ALA 87 Ca 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 3kcu s ALA 87 Cb -0.00 -2.93 0.12 0.00 0.00 0.00 0.00 23.12 20.31 3kcu s ALA 87 CO 0.01 -0.97 0.26 0.34 0.00 0.00 0.00 175.76 175.40 3kcu s ASP 88 N -4.31 5.18 -0.28 0.00 -1.08 0.31 -4.71 116.67 111.77 3kcu s ASP 88 Ca 0.56 -2.31 -0.14 0.00 -0.52 0.00 0.00 52.55 50.14 3kcu s ASP 88 Cb -0.11 -1.82 -0.04 0.00 -1.46 0.00 0.00 42.92 39.50 3kcu s ASP 88 CO 0.50 -0.47 0.32 -0.22 0.52 0.00 0.00 175.17 175.83 3kcu s LEU 89 N 0.73 4.07 -0.27 -1.34 2.96 -1.26 -4.19 118.68 119.39 3kcu s LEU 89 Ca 0.11 0.15 -0.18 0.00 -0.22 0.00 0.00 54.13 54.00 3kcu s LEU 89 Cb -0.22 -2.33 -0.09 0.00 0.50 0.00 0.00 46.19 44.05 3kcu s LEU 89 CO -0.04 -0.16 0.98 0.33 -1.32 0.00 0.00 176.35 176.14 3kcu n PHE 90 N 5.26 0.44 -0.29 5.38 7.35 -1.26 -1.17 117.46 133.17 3kcu n PHE 90 Ca -0.10 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 3kcu n PHE 90 Cb 0.51 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 39.34 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 2.91 0.00 0.31 -2.13 -2.24 -1.26 -4.88 114.28 106.99 3kcu n THR 91 Ca 0.25 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.21 3kcu n THR 91 Cb -0.01 -0.05 1.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.41 3.42 4.64 -1.54 -1.95 113.55 117.72 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 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 3kcu n THR 93 N -3.41 0.90 -0.17 2.95 -2.24 -1.26 -4.48 114.28 106.57 3kcu n THR 93 Ca -0.02 -0.95 0.23 0.00 -2.27 0.00 0.00 64.05 61.04 3kcu n THR 93 Cb 0.13 0.58 0.63 0.00 -2.10 0.00 0.00 70.33 69.57 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 2.62 0.64 -0.10 2.28 3.04 -1.74 0.22 116.25 123.20 3kcu h VAL 94 Ca 0.00 -0.05 -0.14 0.00 -1.01 0.00 0.00 66.70 65.49 3kcu h VAL 94 Cb 0.78 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 3kcu h VAL 94 CO 0.00 0.03 -0.56 -0.07 -1.01 0.00 0.00 177.57 175.96 3kcu h LEU 95 N 0.16 0.35 -0.43 3.16 3.38 -1.84 -2.69 115.31 117.40 3kcu h LEU 95 Ca 0.41 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 3kcu h LEU 95 Cb 1.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3kcu h LEU 95 CO -0.07 0.83 -0.27 0.40 0.09 0.00 0.00 178.44 179.43 3kcu h ILE 96 N 0.24 1.27 -0.45 1.22 5.03 -0.93 -2.17 117.51 121.72 3kcu h ILE 96 Ca 0.00 -1.43 -0.01 0.00 -0.12 0.00 0.00 64.86 63.30 3kcu h ILE 96 Cb 1.06 1.26 -0.02 0.00 -3.03 0.00 0.00 36.82 36.08 3kcu h ILE 96 CO 0.09 0.48 0.25 0.58 -0.68 0.00 0.00 178.15 178.87 3kcu h VAL 97 N 0.76 1.16 -0.68 1.67 2.07 -1.42 0.05 116.25 119.86 3kcu h VAL 97 Ca 0.09 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3kcu h VAL 97 Cb 0.85 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3kcu h VAL 97 CO 0.07 0.17 0.44 0.58 0.02 0.00 0.00 177.57 178.85 3kcu h VAL 98 N 0.59 1.14 -0.56 2.57 2.07 -1.38 -0.70 116.25 119.99 3kcu h VAL 98 Ca 0.16 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 3kcu h VAL 98 Cb 0.05 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3kcu h VAL 98 CO -0.03 0.16 0.02 0.00 0.02 0.00 0.00 177.57 177.75 3kcu h ALA 99 N 1.27 0.98 -0.08 1.67 0.00 -1.09 -2.04 119.26 119.96 3kcu h ALA 99 Ca 0.26 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3kcu h ALA 99 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kcu h ALA 99 CO -0.07 0.63 -0.58 0.87 0.00 0.00 0.00 179.25 180.09 3kcu h LYS 100 N 0.88 0.24 0.00 0.00 1.57 -0.61 -2.59 116.57 116.06 3kcu h LYS 100 Ca 0.17 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3kcu h LYS 100 Cb 0.49 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kcu h LYS 100 CO 0.02 0.75 -0.47 0.00 -0.57 0.00 0.00 179.45 179.19 3kcu h ALA 101 N 1.21 1.15 -0.54 3.86 0.00 -0.96 -3.47 119.26 120.50 3kcu h ALA 101 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 3kcu h ALA 101 Cb 1.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3kcu h ALA 101 CO 0.09 0.59 -0.12 0.43 0.00 0.00 0.00 179.25 180.24 3kcu n SER 102 N -3.87 -2.73 0.00 0.00 7.64 -0.78 -2.63 113.62 111.25 3kcu n SER 102 Ca -0.01 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3kcu n SER 102 Cb 0.51 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 3kcu n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcu n GLY 103 N -1.52 0.86 2.77 0.23 0.00 -1.20 -4.95 105.19 101.38 3kcu n GLY 103 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3kcu n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcu n ARG 104 N -2.07 4.76 -3.60 1.61 3.00 -1.08 -4.95 116.66 114.32 3kcu n ARG 104 Ca 0.00 -4.30 -0.11 0.00 -0.01 0.00 0.00 57.85 53.43 3kcu n ARG 104 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 32.46 29.86 3kcu n ARG 104 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3kcu s ILE 105 N -2.72 0.04 0.16 0.55 2.07 -1.26 -4.89 121.20 115.15 3kcu s ILE 105 Ca 0.38 -0.47 0.09 0.00 -1.41 0.00 0.00 60.65 59.25 3kcu s ILE 105 Cb 0.13 -1.23 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 3kcu s ILE 105 CO -0.02 -0.17 -0.20 0.28 -1.91 0.00 0.00 174.94 172.91 3kcu s THR 106 N -3.81 1.95 0.30 4.00 -1.32 -1.26 -5.03 115.64 110.48 3kcu s THR 106 Ca 0.04 -1.90 0.34 0.00 -1.21 0.00 0.00 61.69 58.96 3kcu s THR 106 Cb 0.00 -1.88 0.37 0.00 -1.51 0.00 0.00 72.50 69.48 3kcu s THR 106 CO -0.10 -0.22 2.08 -0.50 -2.21 0.00 0.00 174.62 173.67 3kcu h TRP 107 N 3.35 0.00 0.00 9.09 4.06 -2.03 -2.85 115.95 127.57 3kcu h TRP 107 Ca -0.44 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.39 3kcu h TRP 107 Cb 1.20 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.35 3kcu h TRP 107 CO 0.67 0.05 -0.56 0.78 -3.56 0.00 0.00 178.44 175.82 3kcu h GLY 108 N 1.32 0.00 1.40 1.49 0.00 -2.02 -3.20 103.07 102.07 3kcu h GLY 108 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 3kcu h GLY 108 CO 0.01 0.00 -1.21 1.46 0.00 0.00 0.00 176.54 176.80 3kcu h GLN 109 N 0.00 0.00 -1.98 4.80 4.20 -1.94 -3.38 115.11 116.81 3kcu h GLN 109 Ca -0.01 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 3kcu h GLN 109 Cb 1.29 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.00 3kcu h GLN 109 CO 0.07 0.53 -0.20 1.28 -0.67 0.00 0.00 178.83 179.84 3kcu n LEU 110 N -3.09 5.42 0.00 1.46 4.77 -1.15 -3.33 117.00 121.08 3kcu n LEU 110 Ca -0.07 -3.09 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 3kcu n LEU 110 Cb 0.89 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3kcu n LEU 110 CO 0.44 1.53 0.00 0.00 -1.33 0.00 0.00 177.39 178.03 3kcu n ALA 111 N 2.05 0.19 0.33 -1.18 0.00 -1.26 -4.93 120.51 115.72 3kcu n ALA 111 Ca 0.33 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.59 3kcu n ALA 111 Cb 0.78 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.13 3kcu n ALA 111 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kcu h LYS 112 N 0.00 -1.01 -0.61 0.00 1.57 -1.77 -3.07 116.57 111.68 3kcu h LYS 112 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kcu h LYS 112 Cb 0.32 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3kcu h LYS 112 CO 0.00 -0.68 0.00 0.27 -0.57 0.00 0.00 179.45 178.47 3kcu n ASN 113 N -5.46 3.21 -0.17 0.86 6.94 -1.26 -4.15 115.26 115.23 3kcu n ASN 113 Ca -0.13 -2.31 -0.08 0.00 -0.02 0.00 0.00 54.58 52.04 3kcu n ASN 113 Cb 0.46 -0.47 0.01 0.00 -2.36 0.00 0.00 39.78 37.42 3kcu n ASN 113 CO 0.00 0.00 0.00 -0.50 -1.03 0.00 0.00 177.26 175.73 3kcu h TRP 114 N 2.52 0.76 -0.38 -2.53 4.06 -1.89 0.11 115.95 118.61 3kcu h TRP 114 Ca 0.00 -0.06 -0.06 0.00 2.06 0.00 0.00 58.89 60.83 3kcu h TRP 114 Cb 1.03 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 3kcu h TRP 114 CO 0.50 0.64 -0.02 1.25 -3.56 0.00 0.00 178.44 177.25 3kcu h LEU 115 N 0.66 0.58 0.04 -4.49 5.85 -1.76 0.54 115.31 116.74 3kcu h LEU 115 Ca 0.16 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kcu h LEU 115 Cb 0.21 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3kcu h LEU 115 CO -0.01 0.67 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.60 3kcu h ASN 116 N 0.58 -0.05 -0.11 1.25 -0.73 -1.71 -1.33 115.58 113.48 3kcu h ASN 116 Ca 0.12 -0.24 -0.01 0.00 1.87 0.00 0.00 56.30 58.04 3kcu h ASN 116 Cb 0.40 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.99 3kcu h ASN 116 CO 0.02 0.21 0.04 0.58 -0.37 0.00 0.00 177.43 177.91 3kcu h VAL 117 N -0.31 1.15 -0.53 2.57 2.07 -0.55 -0.40 116.25 120.25 3kcu h VAL 117 Ca -0.01 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.17 3kcu h VAL 117 Cb 0.29 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3kcu h VAL 117 CO 0.01 0.13 0.06 0.22 0.02 0.00 0.00 177.57 178.01 3kcu h TYR 118 N 0.02 0.07 -0.31 1.57 3.20 0.08 0.32 116.97 121.92 3kcu h TYR 118 Ca 0.04 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 3kcu h TYR 118 Cb 0.17 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 3kcu h TYR 118 CO -0.02 -0.07 -0.37 0.35 -1.64 0.00 0.00 178.16 176.42 3kcu h PHE 119 N 0.18 0.97 -0.40 -3.82 3.57 -1.11 -1.66 116.94 114.66 3kcu h PHE 119 Ca 0.27 -0.30 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3kcu h PHE 119 Cb 0.40 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3kcu h PHE 119 CO -0.28 1.09 0.24 0.78 -2.23 0.00 0.00 178.31 177.91 3kcu h GLY 120 N 0.56 0.59 0.34 2.40 0.00 -0.50 -0.49 103.07 105.98 3kcu h GLY 120 Ca 0.04 -0.25 0.11 0.00 0.00 0.00 0.00 47.33 47.23 3kcu h GLY 120 CO 0.09 0.24 0.30 3.43 0.00 0.00 0.00 176.54 180.60 3kcu h ASN 121 N 0.53 0.33 0.40 0.19 -0.26 -0.24 -1.75 115.58 114.77 3kcu h ASN 121 Ca 0.14 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.95 3kcu h ASN 121 Cb 0.01 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 3kcu h ASN 121 CO -0.03 0.17 -0.19 0.25 -1.06 0.00 0.00 177.43 176.57 3kcu h LEU 122 N 0.49 -0.45 -0.57 1.61 5.85 -0.74 -1.01 115.31 120.48 3kcu h LEU 122 Ca 0.36 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.20 3kcu h LEU 122 Cb 0.45 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 3kcu h LEU 122 CO -0.32 -0.32 -0.06 0.58 -0.34 0.00 0.00 178.44 177.98 3kcu h VAL 123 N -0.54 0.49 -0.64 1.05 2.07 -0.74 0.31 116.25 118.25 3kcu h VAL 123 Ca -0.05 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3kcu h VAL 123 Cb 0.41 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3kcu h VAL 123 CO 0.09 0.01 0.22 1.23 0.02 0.00 0.00 177.57 179.14 3kcu h GLY 124 N 0.06 1.05 0.96 2.17 0.00 -1.13 -0.35 103.07 105.84 3kcu h GLY 124 Ca 0.29 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3kcu h GLY 124 CO -0.53 0.57 0.18 0.00 0.00 0.00 0.00 176.54 176.76 3kcu h ALA 125 N 1.08 0.40 -0.69 3.60 0.00 -0.54 -1.99 119.26 121.13 3kcu h ALA 125 Ca 0.21 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3kcu h ALA 125 Cb 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kcu h ALA 125 CO -0.01 -0.08 0.15 -0.07 0.00 0.00 0.00 179.25 179.24 3kcu h LEU 126 N 0.39 1.06 -1.34 0.00 3.38 -0.75 -1.05 115.31 117.00 3kcu h LEU 126 Ca 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kcu h LEU 126 Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3kcu h LEU 126 CO -0.02 1.03 0.12 -0.07 0.09 0.00 0.00 178.44 179.59 3kcu h LEU 127 N 1.05 0.52 -0.38 1.67 3.38 -0.93 -1.68 115.31 118.94 3kcu h LEU 127 Ca 0.21 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 3kcu h LEU 127 Cb 0.40 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3kcu h LEU 127 CO 0.01 0.50 -0.80 0.15 0.09 0.00 0.00 178.44 178.39 3kcu h PHE 128 N 0.56 0.00 -0.83 1.13 3.57 -0.93 -2.32 116.94 118.13 3kcu h PHE 128 Ca 0.13 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3kcu h PHE 128 Cb 0.18 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 3kcu h PHE 128 CO 0.01 0.80 0.44 0.28 -2.23 0.00 0.00 178.31 177.61 3kcu h VAL 129 N 0.00 1.25 -0.49 1.41 2.07 -0.32 -0.14 116.25 120.03 3kcu h VAL 129 Ca -0.01 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 3kcu h VAL 129 Cb 1.43 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3kcu h VAL 129 CO 0.10 0.28 -0.05 0.25 0.02 0.00 0.00 177.57 178.17 3kcu h LEU 130 N 1.17 0.89 -0.77 2.57 5.85 -1.23 -1.60 115.31 122.20 3kcu h LEU 130 Ca 0.29 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 3kcu h LEU 130 Cb 0.05 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3kcu h LEU 130 CO -0.04 1.01 -0.32 0.25 -0.34 0.00 0.00 178.44 179.00 3kcu h LEU 131 N 0.75 0.59 -0.31 2.25 5.85 -1.05 -1.10 115.31 122.30 3kcu h LEU 131 Ca 0.13 -0.23 -0.20 0.00 0.84 0.00 0.00 57.88 58.42 3kcu h LEU 131 Cb 0.59 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3kcu h LEU 131 CO 0.04 0.87 -0.74 0.24 -0.34 0.00 0.00 178.44 178.50 3kcu h MET 132 N 0.49 0.57 -0.47 1.25 2.86 -0.99 -2.81 114.93 115.82 3kcu h MET 132 Ca 0.06 -0.46 -0.07 0.00 -2.06 0.00 0.00 59.70 57.17 3kcu h MET 132 Cb 0.79 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 3kcu h MET 132 CO 0.06 1.09 0.03 2.35 1.06 0.00 0.00 176.91 181.50 3kcu h TRP 133 N 0.39 0.87 0.00 -0.22 2.91 -1.12 -2.96 115.95 115.82 3kcu h TRP 133 Ca -0.04 -0.14 -0.02 0.00 1.13 0.00 0.00 58.89 59.82 3kcu h TRP 133 Cb 1.34 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 29.76 3kcu h TRP 133 CO 0.06 0.82 -0.10 -0.07 -1.03 0.00 0.00 178.44 178.13 3kcu h LEU 134 N 0.66 0.00 0.00 0.65 3.38 -1.19 -2.30 115.31 116.51 3kcu h LEU 134 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kcu h LEU 134 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kcu h LEU 134 CO 0.02 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 3kcu n SER 135 N -3.71 0.00 -0.51 -0.43 3.41 -1.07 -4.88 113.62 106.43 3kcu n SER 135 Ca -0.02 0.48 -0.07 0.00 -0.26 0.00 0.00 58.87 59.01 3kcu n SER 135 Cb 0.20 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 3kcu n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kcu n GLY 136 N 1.27 0.75 0.45 5.00 0.00 -0.87 -4.87 105.19 106.93 3kcu n GLY 136 Ca 0.07 -0.11 0.26 0.00 0.00 0.00 0.00 46.02 46.24 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 0.14 0.00 0.00 1.61 4.57 -1.81 -2.22 114.58 116.87 3kcu h GLU 137 Ca -0.14 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 3kcu h GLU 137 Cb 0.88 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3kcu h GLU 137 CO 0.20 0.00 -0.05 0.10 -1.18 0.00 0.00 179.01 178.08 3kcu h TYR 138 N 0.00 0.00 0.00 0.92 -0.00 -1.89 -1.20 116.97 114.79 3kcu h TYR 138 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.09 3kcu h TYR 138 Cb 1.72 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.45 3kcu h TYR 138 CO 0.00 0.05 0.00 -1.33 -0.00 0.00 0.00 178.16 176.88 3kcu n MET 139 N -3.35 0.12 -1.52 0.10 2.81 -0.83 -0.83 117.12 113.63 3kcu n MET 139 Ca -0.02 0.12 -0.47 0.00 -1.81 0.00 0.00 57.70 55.52 3kcu n MET 139 Cb 0.20 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.03 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 -1.86 1.77 -3.55 2.03 -1.04 -0.46 -1.07 114.28 110.11 3kcu n THR 140 Ca 0.06 -0.44 -0.21 0.00 -2.04 0.00 0.00 64.05 61.42 3kcu n THR 140 Cb 0.37 -0.57 0.08 0.00 -1.82 0.00 0.00 70.33 68.39 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 0.37 -1.63 -3.41 2.41 0.00 -1.26 -2.03 120.51 114.96 3kcu n ALA 141 Ca 0.14 0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 3kcu n ALA 141 Cb 0.27 -4.07 0.07 0.00 0.00 0.00 0.00 19.45 15.73 3kcu n ALA 141 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kcu n ASN 142 N -3.06 -4.73 0.00 0.00 3.02 -1.07 -2.02 115.26 107.40 3kcu n ASN 142 Ca -0.13 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 3kcu n ASN 142 Cb 0.61 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 3kcu n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcu n GLY 143 N -1.62 1.56 0.27 7.41 0.00 -0.23 -4.24 105.19 108.34 3kcu n GLY 143 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 2.42 0.70 0.26 1.61 1.08 -1.09 -0.57 115.11 119.52 3kcu h GLN 144 Ca 0.00 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 56.99 3kcu h GLN 144 Cb 0.00 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3kcu h GLN 144 CO 0.00 0.78 -0.34 2.35 -0.95 0.00 0.00 178.83 180.67 3kcu h TRP 145 N 0.64 -0.93 -0.93 2.96 7.01 -1.59 0.02 115.95 123.13 3kcu h TRP 145 Ca 0.11 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.22 3kcu h TRP 145 Cb 0.54 0.37 -0.08 0.00 -2.10 0.00 0.00 29.16 27.90 3kcu h TRP 145 CO 0.03 -0.47 0.57 0.78 -2.79 0.00 0.00 178.44 176.55 3kcu h GLY 146 N -0.66 1.47 1.42 2.65 0.00 -0.66 -1.16 103.07 106.14 3kcu h GLY 146 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 3kcu h GLY 146 CO -0.11 0.18 -0.07 -2.00 0.00 0.00 0.00 176.54 174.54 3kcu h LEU 147 N 0.95 0.68 0.02 3.11 5.85 -0.79 -2.03 115.31 123.10 3kcu h LEU 147 Ca 0.44 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3kcu h LEU 147 Cb 0.38 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3kcu h LEU 147 CO -0.24 0.80 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.33 3kcu h ASN 148 N 0.65 -0.57 -0.39 1.25 -0.73 0.24 -1.18 115.58 114.86 3kcu h ASN 148 Ca 0.12 0.08 0.07 0.00 1.87 0.00 0.00 56.30 58.43 3kcu h ASN 148 Cb 0.50 0.23 -0.06 0.00 0.27 0.00 0.00 38.32 39.27 3kcu h ASN 148 CO 0.03 -0.26 0.04 0.58 -0.37 0.00 0.00 177.43 177.45 3kcu h VAL 149 N -0.33 0.75 -0.21 2.57 2.07 -1.09 -0.66 116.25 119.36 3kcu h VAL 149 Ca 0.05 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3kcu h VAL 149 Cb 0.39 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3kcu h VAL 149 CO -0.17 0.03 0.07 -0.07 0.02 0.00 0.00 177.57 177.46 3kcu h LEU 150 N 0.16 0.08 -0.69 2.57 3.38 -1.03 0.31 115.31 120.10 3kcu h LEU 150 Ca 0.19 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3kcu h LEU 150 Cb 0.25 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3kcu h LEU 150 CO -0.28 0.08 -0.08 1.56 0.09 0.00 0.00 178.44 179.81 3kcu h GLN 151 N 0.17 0.93 -0.04 1.13 4.20 -1.05 0.17 115.11 120.62 3kcu h GLN 151 Ca 0.09 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3kcu h GLN 151 Cb 0.06 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3kcu h GLN 151 CO -0.10 0.97 -0.01 1.15 -0.67 0.00 0.00 178.83 180.18 3kcu h THR 152 N 0.84 1.28 -0.34 -0.54 2.02 -0.88 -1.80 112.91 113.49 3kcu h THR 152 Ca 0.14 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3kcu h THR 152 Cb 0.61 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3kcu h THR 152 CO 0.04 0.23 0.22 0.00 0.37 0.00 0.00 175.52 176.38 3kcu h ALA 153 N 0.67 0.43 -0.29 6.16 0.00 -0.27 -2.97 119.26 122.99 3kcu h ALA 153 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kcu h ALA 153 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kcu h ALA 153 CO 0.00 -0.10 0.19 0.22 0.00 0.00 0.00 179.25 179.56 3kcu h ASP 154 N 0.45 0.34 -0.64 0.00 3.58 -0.66 -1.86 116.42 117.63 3kcu h ASP 154 Ca 0.12 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.66 3kcu h ASP 154 Cb -0.04 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 3kcu h ASP 154 CO -0.03 0.26 0.43 -0.74 -2.88 0.00 0.00 179.24 176.28 3kcu h HIS 155 N 0.39 0.45 0.00 0.28 2.76 -1.27 -1.31 115.15 116.45 3kcu h HIS 155 Ca 0.11 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3kcu h HIS 155 Cb -0.03 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.79 3kcu h HIS 155 CO -0.05 0.21 0.00 1.63 -1.30 0.00 0.00 177.93 178.42 3kcu n LYS 156 N -4.47 0.05 -0.47 5.26 5.02 -0.71 -2.80 118.16 120.04 3kcu n LYS 156 Ca 0.11 0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.70 3kcu n LYS 156 Cb 0.40 -1.58 0.27 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.67 2.07 -0.48 -0.18 0.24 -0.50 -4.53 118.33 113.29 3kcu n VAL 157 Ca 0.04 -1.60 0.05 0.00 -2.04 0.00 0.00 64.34 60.79 3kcu n VAL 157 Cb 0.23 -0.08 0.06 0.00 -1.47 0.00 0.00 33.84 32.58 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 -0.02 0.00 -2.08 6.34 8.25 -1.12 -4.91 115.22 121.68 3kcu n HIS 158 Ca 0.21 -0.72 -0.32 0.00 -0.26 0.00 0.00 57.72 56.62 3kcu n HIS 158 Cb 0.85 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.85 3.28 0.67 4.41 3.76 -1.26 -5.06 115.29 119.25 3kcu s HIS 159 Ca 0.15 1.45 -0.13 0.00 -0.15 0.00 0.00 55.06 56.37 3kcu s HIS 159 Cb 0.13 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.96 3kcu s HIS 159 CO 0.01 -0.78 1.08 0.95 -0.85 0.00 0.00 174.74 175.15 3kcu s THR 160 N -2.72 3.63 0.24 1.30 -4.23 -1.26 -4.85 115.64 107.75 3kcu s THR 160 Ca 0.60 0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 61.72 3kcu s THR 160 Cb -0.13 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.70 3kcu s THR 160 CO 0.40 -0.56 1.72 0.15 -0.54 0.00 0.00 174.62 175.79 3kcu h PHE 161 N -0.24 0.43 -0.34 3.99 3.57 -1.96 0.87 116.94 123.27 3kcu h PHE 161 Ca -0.45 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 60.95 3kcu h PHE 161 Cb 1.23 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3kcu h PHE 161 CO 0.58 0.02 -0.34 0.82 -2.23 0.00 0.00 178.31 177.16 3kcu h ILE 162 N 0.39 1.28 -0.48 1.41 2.04 -1.99 -1.27 117.51 118.88 3kcu h ILE 162 Ca 0.41 -1.49 0.02 0.00 1.00 0.00 0.00 64.86 64.79 3kcu h ILE 162 Cb 0.64 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3kcu h ILE 162 CO -0.43 0.49 0.29 -0.33 0.00 0.00 0.00 178.15 178.17 3kcu h GLU 163 N 0.64 0.56 -0.35 2.37 5.08 -1.60 -2.06 114.58 119.22 3kcu h GLU 163 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3kcu h GLU 163 Cb 0.88 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3kcu h GLU 163 CO 0.08 0.37 0.20 0.00 -1.00 0.00 0.00 179.01 178.66 3kcu h ALA 164 N 1.21 0.45 -0.30 3.43 0.00 -0.56 -0.87 119.26 122.62 3kcu h ALA 164 Ca 0.19 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kcu h ALA 164 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kcu h ALA 164 CO -0.08 -0.03 0.11 0.28 0.00 0.00 0.00 179.25 179.53 3kcu h VAL 165 N 0.45 0.92 -0.49 0.00 2.07 -1.05 -0.31 116.25 117.84 3kcu h VAL 165 Ca 0.13 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3kcu h VAL 165 Cb 0.04 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3kcu h VAL 165 CO -0.02 0.04 0.03 0.00 0.02 0.00 0.00 177.57 177.64 3kcu h LEU 167 N 0.71 0.18 -0.25 0.00 3.38 -0.99 -0.22 115.31 118.13 3kcu h LEU 167 Ca 0.14 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 3kcu h LEU 167 Cb 0.47 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3kcu h LEU 167 CO 0.02 0.13 -0.79 1.23 0.09 0.00 0.00 178.44 179.13 3kcu h GLY 168 N 0.22 0.68 0.98 0.83 0.00 -0.20 -1.23 103.07 104.35 3kcu h GLY 168 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.43 3kcu h GLY 168 CO -0.02 0.88 0.15 -2.22 0.00 0.00 0.00 176.54 175.33 3kcu h ILE 169 N 0.41 1.05 -0.33 2.60 2.04 -0.11 -2.83 117.51 120.34 3kcu h ILE 169 Ca -0.05 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3kcu h ILE 169 Cb 1.40 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3kcu h ILE 169 CO 0.15 0.05 0.21 -0.07 0.00 0.00 0.00 178.15 178.49 3kcu h LEU 170 N 0.30 0.40 -0.51 1.44 3.38 -0.98 -1.31 115.31 118.02 3kcu h LEU 170 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kcu h LEU 170 Cb -0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3kcu h LEU 170 CO -0.03 0.32 0.27 0.00 0.09 0.00 0.00 178.44 179.09 3kcu h ALA 171 N 1.09 0.65 0.00 1.53 0.00 -1.37 -2.85 119.26 118.32 3kcu h ALA 171 Ca 0.12 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3kcu h ALA 171 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kcu h ALA 171 CO -0.02 0.19 -0.74 -0.97 0.00 0.00 0.00 179.25 177.70 3kcu h ASN 172 N 0.68 0.00 -0.43 0.00 -1.24 -1.38 -1.07 115.58 112.14 3kcu h ASN 172 Ca 0.18 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.27 3kcu h ASN 172 Cb 0.07 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.05 3kcu h ASN 172 CO -0.03 0.74 0.01 -0.07 -1.29 0.00 0.00 177.43 176.79 3kcu h LEU 173 N 0.00 -0.17 -0.21 0.34 3.38 -1.20 -0.59 115.31 116.86 3kcu h LEU 173 Ca -0.01 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3kcu h LEU 173 Cb 1.42 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3kcu h LEU 173 CO 0.10 -0.05 -0.01 0.24 0.09 0.00 0.00 178.44 178.81 3kcu h MET 174 N 0.12 0.38 -0.29 1.13 2.86 -1.22 -0.49 114.93 117.41 3kcu h MET 174 Ca 0.21 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3kcu h MET 174 Cb 0.31 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3kcu h MET 174 CO -0.35 0.59 0.17 0.28 1.06 0.00 0.00 176.91 178.66 3kcu h VAL 175 N 0.13 1.11 -0.63 -2.22 2.07 -1.12 0.72 116.25 116.31 3kcu h VAL 175 Ca 0.06 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 3kcu h VAL 175 Cb 0.42 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3kcu h VAL 175 CO 0.01 0.11 0.11 0.00 0.02 0.00 0.00 177.57 177.83 3kcu h LEU 177 N 0.95 0.79 0.32 0.00 3.38 -0.86 -0.76 115.31 119.14 3kcu h LEU 177 Ca 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kcu h LEU 177 Cb 0.42 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kcu h LEU 177 CO 0.01 0.71 -0.19 0.00 0.09 0.00 0.00 178.44 179.06 3kcu h ALA 178 N 1.11 -0.48 -0.90 1.53 0.00 -0.50 -0.36 119.26 119.67 3kcu h ALA 178 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kcu h ALA 178 Cb 0.13 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3kcu h ALA 178 CO -0.02 -0.78 0.59 0.28 0.00 0.00 0.00 179.25 179.32 3kcu h VAL 179 N -0.49 1.23 -0.50 0.00 2.07 -1.28 -0.20 116.25 117.09 3kcu h VAL 179 Ca -0.03 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3kcu h VAL 179 Cb 0.40 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3kcu h VAL 179 CO 0.04 0.22 0.21 -0.25 0.02 0.00 0.00 177.57 177.81 3kcu h TRP 180 N 1.21 0.74 -0.54 1.57 2.91 -0.83 -2.40 115.95 118.60 3kcu h TRP 180 Ca 0.33 -0.05 -0.05 0.00 1.13 0.00 0.00 58.89 60.25 3kcu h TRP 180 Cb -0.13 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.27 3kcu h TRP 180 CO -0.00 0.61 0.15 0.52 -1.03 0.00 0.00 178.44 178.68 3kcu h MET 181 N 0.66 0.85 -0.93 2.65 2.86 -0.53 -2.90 114.93 117.59 3kcu h MET 181 Ca 0.17 -0.20 0.19 0.00 -2.06 0.00 0.00 59.70 57.80 3kcu h MET 181 Cb 0.17 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 31.63 3kcu h MET 181 CO -0.02 0.79 0.60 1.03 1.06 0.00 0.00 176.91 180.38 3kcu h SER 182 N 0.75 0.55 0.90 1.22 0.87 -0.80 -0.89 113.55 116.16 3kcu h SER 182 Ca 0.17 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3kcu h SER 182 Cb 0.31 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3kcu h SER 182 CO -0.00 0.23 0.00 0.22 -0.53 0.00 0.00 176.83 176.74 3kcu h TYR 183 N 0.55 0.00 -0.01 2.24 3.20 -1.22 -1.37 116.97 120.36 3kcu h TYR 183 Ca 0.49 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.36 3kcu h TYR 183 Cb 1.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3kcu h TYR 183 CO -0.00 0.00 -0.02 -1.13 -1.64 0.00 0.00 178.16 175.37 3kcu n SER 184 N -2.34 1.43 -4.83 -2.11 3.41 -0.34 -4.95 113.62 103.89 3kcu n SER 184 Ca 0.03 -1.45 -0.32 0.00 -0.26 0.00 0.00 58.87 56.86 3kcu n SER 184 Cb 0.28 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.03 2.12 -0.05 5.00 0.00 -0.52 -4.99 107.32 106.86 3kcu s GLY 185 Ca 0.37 0.25 0.07 0.00 0.00 0.00 0.00 44.72 45.41 3kcu s GLY 185 CO 0.35 0.54 0.97 0.54 0.00 0.00 0.00 173.10 175.50 3kcu n ARG 186 N -1.54 1.01 -3.56 2.90 5.12 -1.26 -4.86 116.66 114.46 3kcu n ARG 186 Ca 0.07 -1.57 -0.11 0.00 -1.93 0.00 0.00 57.85 54.31 3kcu n ARG 186 Cb 0.54 -0.94 -0.03 0.00 -1.16 0.00 0.00 32.46 30.86 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 -1.50 -0.41 0.24 0.55 1.04 -1.26 -5.01 113.70 107.35 3kcu s SER 187 Ca 0.11 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.28 3kcu s SER 187 Cb 0.10 0.58 0.44 0.00 0.10 0.00 0.00 66.02 67.24 3kcu s SER 187 CO 0.01 -1.00 1.70 0.25 0.98 0.00 0.00 173.24 175.19 3kcu h LEU 188 N 2.11 0.11 0.16 2.42 5.85 -1.99 -1.31 115.31 122.66 3kcu h LEU 188 Ca -0.32 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3kcu h LEU 188 Cb 1.28 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 3kcu h LEU 188 CO 0.38 0.02 -0.22 0.24 -0.34 0.00 0.00 178.44 178.53 3kcu h MET 189 N 0.33 -0.42 -0.11 1.25 2.86 -1.99 -0.96 114.93 115.89 3kcu h MET 189 Ca 0.40 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.10 3kcu h MET 189 Cb 0.65 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 3kcu h MET 189 CO -0.46 -0.28 -0.48 -0.44 1.06 0.00 0.00 176.91 176.32 3kcu h ASP 190 N -0.43 -1.50 -0.61 1.22 5.19 -1.87 -0.99 116.42 117.42 3kcu h ASP 190 Ca 0.01 0.19 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 3kcu h ASP 190 Cb 0.43 0.59 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 3kcu h ASP 190 CO -0.09 -0.46 0.15 0.11 -3.12 0.00 0.00 179.24 175.83 3kcu h LYS 191 N -0.56 0.98 0.08 3.56 1.57 -1.06 -2.49 116.57 118.66 3kcu h LYS 191 Ca 0.05 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3kcu h LYS 191 Cb 0.67 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3kcu h LYS 191 CO -0.40 0.89 -0.04 0.00 -0.57 0.00 0.00 179.45 179.33 3kcu h ALA 192 N 1.05 -0.11 0.00 3.86 0.00 -1.13 -3.38 119.26 119.54 3kcu h ALA 192 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kcu h ALA 192 Cb 0.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kcu h ALA 192 CO 0.00 -0.16 -0.10 0.74 0.00 0.00 0.00 179.25 179.73 3kcu h PHE 193 N -0.91 0.00 0.00 0.00 0.04 -1.23 -2.66 116.94 112.19 3kcu h PHE 193 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3kcu h PHE 193 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 3kcu h PHE 193 CO 0.13 0.00 0.00 0.97 -0.60 0.00 0.00 178.31 178.81 3kcu h ILE 194 N 0.00 0.00 0.00 -0.55 6.09 -1.60 -3.07 117.51 118.37 3kcu h ILE 194 Ca 0.00 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3kcu h ILE 194 Cb 0.76 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.21 3kcu h ILE 194 CO 0.00 0.00 -1.12 0.23 -3.07 0.00 0.00 178.15 174.19 3kcu n MET 195 N -2.82 0.40 0.08 2.19 2.81 -1.00 -4.45 117.12 114.33 3kcu n MET 195 Ca -0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.78 3kcu n MET 195 Cb 0.20 -1.64 -0.05 0.00 -0.71 0.00 0.00 33.22 31.02 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 0.55 0.07 2.03 2.07 -1.64 -1.87 116.25 117.47 3kcu h VAL 196 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kcu h VAL 196 Cb 0.82 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3kcu h VAL 196 CO 0.00 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.49 3kcu h LEU 197 N -0.34 -0.08 -1.31 2.57 4.07 -1.79 -0.45 115.31 117.98 3kcu h LEU 197 Ca 0.04 -0.15 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 3kcu h LEU 197 Cb 0.39 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 3kcu h LEU 197 CO -0.14 0.10 0.01 1.55 -1.08 0.00 0.00 178.44 178.88 3kcu h PRO 198 N -0.26 0.47 -0.05 1.13 0.13 -1.78 -0.52 132.00 131.11 3kcu h PRO 198 Ca -0.01 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 3kcu h PRO 198 Cb 0.23 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.29 3kcu h PRO 198 CO 0.02 0.49 -0.16 0.28 -0.23 0.00 0.00 178.00 178.40 3kcu h VAL 199 N 0.46 1.44 -0.99 1.56 2.07 -1.25 -2.98 116.25 116.57 3kcu h VAL 199 Ca 0.10 -1.55 0.09 0.00 0.82 0.00 0.00 66.70 66.16 3kcu h VAL 199 Cb 0.28 2.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 3kcu h VAL 199 CO 0.01 0.43 0.63 0.00 0.02 0.00 0.00 177.57 178.66 3kcu h ALA 200 N 0.44 1.49 -0.14 1.67 0.00 -0.92 -0.73 119.26 121.07 3kcu h ALA 200 Ca -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kcu h ALA 200 Cb 0.78 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kcu h ALA 200 CO 0.03 0.31 0.05 1.98 0.00 0.00 0.00 179.25 181.62 3kcu h MET 201 N 1.05 0.11 -0.31 0.00 -1.53 -1.09 0.35 114.93 113.52 3kcu h MET 201 Ca 0.46 -0.01 -0.12 0.00 -3.44 0.00 0.00 59.70 56.59 3kcu h MET 201 Cb 0.34 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.36 3kcu h MET 201 CO -0.21 0.07 -0.29 0.27 0.14 0.00 0.00 176.91 176.90 3kcu h PHE 202 N 0.11 0.88 -0.03 1.39 -5.15 -1.22 -1.89 116.94 111.03 3kcu h PHE 202 Ca 0.06 -0.26 -0.00 0.00 -0.20 0.00 0.00 57.97 57.57 3kcu h PHE 202 Cb 0.03 -0.19 -0.00 0.00 0.22 0.00 0.00 35.95 36.02 3kcu h PHE 202 CO -0.11 1.01 0.00 0.28 -2.00 0.00 0.00 178.31 177.50 3kcu h VAL 203 N 0.49 1.21 -0.13 0.88 2.07 -1.06 -1.46 116.25 118.26 3kcu h VAL 203 Ca 0.05 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3kcu h VAL 203 Cb 0.86 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3kcu h VAL 203 CO 0.07 0.17 0.03 0.00 0.02 0.00 0.00 177.57 177.86 3kcu h ALA 204 N 0.75 1.82 -0.00 1.67 0.00 -0.33 -1.81 119.26 121.35 3kcu h ALA 204 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kcu h ALA 204 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kcu h ALA 204 CO 0.00 0.15 -0.04 0.43 0.00 0.00 0.00 179.25 179.79 3kcu n SER 205 N -4.46 0.14 -0.53 0.00 7.64 -0.71 -4.81 113.62 110.89 3kcu n SER 205 Ca -0.01 -0.27 -0.06 0.00 1.01 0.00 0.00 58.87 59.54 3kcu n SER 205 Cb 0.13 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.29 0.59 3.67 0.23 0.00 -0.68 -5.03 105.19 105.26 3kcu n GLY 206 Ca 0.14 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.25 2.08 -0.19 1.61 0.08 -0.58 -5.01 117.98 113.72 3kcu s PHE 207 Ca 0.00 1.24 -0.01 0.00 0.12 0.00 0.00 56.93 58.28 3kcu s PHE 207 Cb 0.00 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 3kcu s PHE 207 CO 0.00 -2.73 -0.12 -1.21 -0.10 0.00 0.00 175.22 171.06 3kcu s GLU 208 N -4.85 3.21 -0.14 0.44 0.41 -0.54 -4.85 118.70 112.38 3kcu s GLU 208 Ca 0.65 -0.72 0.02 0.00 -0.41 0.00 0.00 54.97 54.50 3kcu s GLU 208 Cb -0.19 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.38 3kcu s GLU 208 CO 0.58 -0.17 -0.19 -1.58 -0.49 0.00 0.00 175.26 173.41 3kcu s HIS 209 N 1.30 2.71 0.18 1.61 5.65 -1.26 -3.93 115.29 121.55 3kcu s HIS 209 Ca 0.04 -1.18 -0.10 0.00 0.25 0.00 0.00 55.06 54.06 3kcu s HIS 209 Cb -0.14 -1.84 0.08 0.00 -1.18 0.00 0.00 32.58 29.51 3kcu s HIS 209 CO -0.07 -0.53 1.70 0.66 -0.65 0.00 0.00 174.74 175.85 3kcu h SER 210 N 7.26 0.95 -0.17 9.88 4.64 -1.95 -1.47 113.55 132.70 3kcu h SER 210 Ca -0.31 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 60.71 3kcu h SER 210 Cb 1.19 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3kcu h SER 210 CO 0.55 0.94 -0.14 0.40 -0.87 0.00 0.00 176.83 177.71 3kcu h ILE 211 N 0.93 1.33 -0.84 0.95 1.08 -1.96 -1.99 117.51 117.00 3kcu h ILE 211 Ca 0.20 -1.28 0.09 0.00 -0.39 0.00 0.00 64.86 63.49 3kcu h ILE 211 Cb 0.35 1.79 -0.07 0.00 -3.07 0.00 0.00 36.82 35.82 3kcu h ILE 211 CO 0.00 0.38 0.49 0.00 -0.69 0.00 0.00 178.15 178.33 3kcu h ALA 212 N 0.64 1.20 0.00 1.87 0.00 -1.87 0.51 119.26 121.61 3kcu h ALA 212 Ca 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kcu h ALA 212 Cb 0.66 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kcu h ALA 212 CO 0.04 0.13 -0.13 -0.91 0.00 0.00 0.00 179.25 178.37 3kcu h ASN 213 N 0.83 0.00 0.03 0.00 2.35 -0.98 -2.02 115.58 115.79 3kcu h ASN 213 Ca 0.40 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3kcu h ASN 213 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 3kcu h ASN 213 CO -0.24 0.13 -0.00 0.24 -1.65 0.00 0.00 177.43 175.91 3kcu h MET 214 N 0.00 0.00 0.01 0.81 2.86 -0.13 -2.71 114.93 115.77 3kcu h MET 214 Ca -0.00 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.33 3kcu h MET 214 Cb 0.31 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3kcu h MET 214 CO 0.02 0.00 -1.70 0.34 1.06 0.00 0.00 176.91 176.63 3kcu n PHE 215 N -3.40 0.72 0.04 -0.22 7.35 -0.78 -4.37 117.46 116.81 3kcu n PHE 215 Ca -0.03 0.30 -0.13 0.00 -0.76 0.00 0.00 57.45 56.83 3kcu n PHE 215 Cb 0.08 -1.07 -0.08 0.00 0.35 0.00 0.00 39.48 38.76 3kcu n PHE 215 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 3kcu h MET 216 N -0.92 -0.05 -0.11 -4.13 4.05 -1.30 0.16 114.93 112.63 3kcu h MET 216 Ca -0.46 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.89 3kcu h MET 216 Cb 1.45 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.26 3kcu h MET 216 CO -0.25 0.15 -0.22 0.82 0.23 0.00 0.00 176.91 177.64 3kcu h ILE 217 N -0.25 1.39 -0.76 1.77 2.04 -1.77 -0.54 117.51 119.38 3kcu h ILE 217 Ca -0.01 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 3kcu h ILE 217 Cb 0.23 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 3kcu h ILE 217 CO 0.01 0.44 0.39 -0.65 0.00 0.00 0.00 178.15 178.34 3kcu h PRO 218 N -0.10 1.08 -0.80 2.37 0.11 -1.73 0.98 132.00 133.91 3kcu h PRO 218 Ca 0.00 -0.14 0.12 0.00 0.11 0.00 0.00 66.00 66.09 3kcu h PRO 218 Cb 0.81 -0.20 -0.08 0.00 0.11 0.00 0.00 31.00 31.63 3kcu h PRO 218 CO 0.05 0.82 0.41 1.98 -0.21 0.00 0.00 178.00 181.05 3kcu h MET 219 N 1.06 0.62 -0.52 1.05 1.85 -0.52 0.19 114.93 118.66 3kcu h MET 219 Ca 0.27 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 59.23 3kcu h MET 219 Cb 0.07 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 3kcu h MET 219 CO -0.04 0.41 -0.03 0.78 -0.40 0.00 0.00 176.91 177.63 3kcu h GLY 220 N 0.64 1.02 0.98 1.39 0.00 -0.47 -1.19 103.07 105.45 3kcu h GLY 220 Ca 0.42 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3kcu h GLY 220 CO -0.32 0.72 0.19 -2.22 0.00 0.00 0.00 176.54 174.90 3kcu h ILE 221 N 0.82 1.11 -0.22 2.60 2.04 0.20 -1.26 117.51 122.79 3kcu h ILE 221 Ca 0.14 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3kcu h ILE 221 Cb 0.57 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3kcu h ILE 221 CO 0.03 0.11 0.06 0.58 0.00 0.00 0.00 178.15 178.93 3kcu h VAL 222 N 0.39 0.93 -0.50 1.67 2.07 -0.56 -1.23 116.25 119.03 3kcu h VAL 222 Ca 0.11 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3kcu h VAL 222 Cb 0.01 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3kcu h VAL 222 CO -0.02 0.03 0.27 0.40 0.02 0.00 0.00 177.57 178.26 3kcu h ILE 223 N 0.16 1.18 -0.47 4.57 2.04 -1.13 -2.31 117.51 121.54 3kcu h ILE 223 Ca 0.10 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3kcu h ILE 223 Cb 0.08 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3kcu h ILE 223 CO -0.11 0.19 0.29 -0.09 0.00 0.00 0.00 178.15 178.43 3kcu h ARG 224 N 0.66 0.56 -0.18 2.37 2.43 -0.97 0.34 114.38 119.59 3kcu h ARG 224 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kcu h ARG 224 Cb 0.07 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3kcu h ARG 224 CO -0.03 0.37 0.00 -0.25 -1.51 0.00 0.00 179.97 178.55 3kcu n ASP 225 N -4.81 1.51 0.00 -3.80 8.00 -0.49 -4.20 116.55 112.78 3kcu n ASP 225 Ca 0.02 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.78 3kcu n ASP 225 Cb 0.06 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3kcu n ASP 225 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kcu n PHE 226 N 0.24 0.00 -1.47 1.24 3.72 -0.88 -5.06 117.46 115.26 3kcu n PHE 226 Ca 0.15 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.11 3kcu n PHE 226 Cb 0.29 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.62 -1.54 4.37 0.00 0.12 -4.93 120.51 116.87 3kcu n ALA 227 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 3kcu n ALA 227 Cb 0.00 -1.78 0.08 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.86 4.65 0.45 0.00 1.04 -1.26 -4.92 113.70 112.79 3kcu s SER 228 Ca 0.62 1.39 0.12 0.00 0.48 0.00 0.00 55.95 58.56 3kcu s SER 228 Cb -0.72 -2.15 1.03 0.00 0.10 0.00 0.00 66.02 64.29 3kcu s SER 228 CO 0.58 -1.88 2.05 -0.65 0.98 0.00 0.00 173.24 174.32 3kcu h PRO 229 N -1.03 0.35 0.21 4.02 0.11 -2.00 -2.48 132.00 131.18 3kcu h PRO 229 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3kcu h PRO 229 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kcu h PRO 229 CO 0.58 0.23 -0.10 1.49 -0.21 0.00 0.00 178.00 180.00 3kcu h GLU 230 N 0.36 -0.27 -0.42 1.05 4.81 -1.99 -1.31 114.58 116.82 3kcu h GLU 230 Ca 0.17 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 3kcu h GLU 230 Cb 0.23 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.58 3kcu h GLU 230 CO -0.04 -0.15 -0.27 0.35 -0.73 0.00 0.00 179.01 178.17 3kcu h PHE 231 N -0.32 -0.73 -0.27 0.92 3.57 -1.82 0.10 116.94 118.40 3kcu h PHE 231 Ca -0.03 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3kcu h PHE 231 Cb 0.25 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3kcu h PHE 231 CO -0.05 -0.34 0.12 -1.49 -2.23 0.00 0.00 178.31 174.31 3kcu h TRP 232 N -0.19 0.36 -0.05 0.41 -0.00 -1.30 0.19 115.95 115.36 3kcu h TRP 232 Ca 0.19 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 59.02 3kcu h TRP 232 Cb 0.50 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.55 3kcu h TRP 232 CO -0.50 0.28 -0.19 1.15 -0.00 0.00 0.00 178.44 179.18 3kcu h THR 233 N 0.37 1.44 -0.68 1.49 2.02 -0.01 -0.31 112.91 117.24 3kcu h THR 233 Ca 0.09 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 3kcu h THR 233 Cb 0.06 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 3kcu h THR 233 CO -0.01 0.45 0.36 0.00 0.37 0.00 0.00 175.52 176.68 3kcu h ALA 234 N 0.43 0.87 0.00 6.16 0.00 -0.47 -2.88 119.26 123.37 3kcu h ALA 234 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3kcu h ALA 234 Cb 0.82 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3kcu h ALA 234 CO 0.04 0.40 -0.52 0.28 0.00 0.00 0.00 179.25 179.45 3kcu h VAL 235 N 0.94 1.24 -0.16 0.00 2.07 -0.67 -3.48 116.25 116.19 3kcu h VAL 235 Ca 0.24 -1.87 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 3kcu h VAL 235 Cb 0.06 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3kcu h VAL 235 CO -0.04 0.51 -0.03 0.61 0.02 0.00 0.00 177.57 178.64 3kcu n GLY 236 N 0.21 0.33 3.36 2.17 0.00 -0.19 -5.05 105.19 106.01 3kcu n GLY 236 Ca -0.01 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 3kcu n GLY 236 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kcu s SER 237 N -2.95 1.93 0.04 1.61 0.15 -0.78 -5.05 113.70 108.65 3kcu s SER 237 Ca 0.00 -1.69 0.01 0.00 0.70 0.00 0.00 55.95 54.96 3kcu s SER 237 Cb 0.00 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.80 3kcu s SER 237 CO 0.00 -0.99 -0.05 0.00 1.20 0.00 0.00 173.24 173.40 3kcu s ALA 238 N -3.43 0.38 0.61 5.45 0.00 -1.26 -4.56 121.76 118.95 3kcu s ALA 238 Ca 0.35 -0.80 0.28 0.00 0.00 0.00 0.00 51.96 51.79 3kcu s ALA 238 Cb 0.03 0.14 1.36 0.00 0.00 0.00 0.00 23.12 24.64 3kcu s ALA 238 CO 0.22 -0.16 1.77 -1.35 0.00 0.00 0.00 175.76 176.24 3kcu h PRO 239 N 4.25 0.00 -0.00 0.00 0.11 -1.98 0.20 132.00 134.58 3kcu h PRO 239 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3kcu h PRO 239 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kcu h PRO 239 CO 0.46 0.00 -0.00 0.39 -0.21 0.00 0.00 178.00 178.64 3kcu n GLU 240 N -3.46 0.51 0.00 1.05 4.71 -1.26 -2.50 120.64 119.68 3kcu n GLU 240 Ca 0.09 -0.01 0.14 0.00 -0.01 0.00 0.00 57.16 57.37 3kcu n GLU 240 Cb 0.78 -1.50 0.59 0.00 -1.01 0.00 0.00 31.44 30.31 3kcu n GLU 240 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kcu n ASN 241 N -1.24 0.07 -2.60 1.62 3.02 0.71 -4.01 115.26 112.84 3kcu n ASN 241 Ca 0.15 0.30 -0.18 0.00 -0.03 0.00 0.00 54.58 54.83 3kcu n ASN 241 Cb 0.23 -0.37 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.45 2.22 0.52 3.10 3.72 -1.04 -4.91 117.46 119.62 3kcu n PHE 242 Ca 0.08 -2.99 0.07 0.00 -0.05 0.00 0.00 57.45 54.56 3kcu n PHE 242 Cb 0.33 -0.25 0.32 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.25 0.00 0.02 4.37 3.41 -1.26 -2.46 113.62 117.47 3kcu n SER 243 Ca 0.24 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 3kcu n SER 243 Cb 0.73 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.50 0.24 -2.26 7.33 8.25 -1.26 -4.74 115.22 121.28 3kcu n HIS 244 Ca 0.04 0.07 -0.33 0.00 -0.26 0.00 0.00 57.72 57.24 3kcu n HIS 244 Cb 0.18 -0.41 -0.04 0.00 1.12 0.00 0.00 29.99 30.84 3kcu n HIS 244 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kcu s LEU 245 N -3.76 3.32 0.10 2.41 1.43 -1.03 -4.69 118.68 116.47 3kcu s LEU 245 Ca 0.05 -1.31 0.02 0.00 -1.03 0.00 0.00 54.13 51.86 3kcu s LEU 245 Cb 0.15 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3kcu s LEU 245 CO 0.78 -2.27 -0.07 0.42 0.23 0.00 0.00 176.35 175.43 3kcu s THR 246 N 8.14 0.78 0.19 5.49 -4.23 -1.26 -4.78 115.64 119.96 3kcu s THR 246 Ca 0.61 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.10 3kcu s THR 246 Cb -0.02 -1.64 0.11 0.00 1.34 0.00 0.00 72.50 72.28 3kcu s THR 246 CO 0.01 -0.81 1.74 0.58 -0.54 0.00 0.00 174.62 175.59 3kcu h VAL 247 N 3.04 0.78 -0.32 2.29 2.07 -1.97 0.17 116.25 122.31 3kcu h VAL 247 Ca -0.36 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.92 3kcu h VAL 247 Cb 1.17 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3kcu h VAL 247 CO 0.63 0.06 -0.30 -0.03 0.02 0.00 0.00 177.57 177.95 3kcu h MET 248 N 0.32 0.77 -0.39 1.57 1.85 -1.96 -0.95 114.93 116.14 3kcu h MET 248 Ca 0.26 -0.40 -0.03 0.00 -0.61 0.00 0.00 59.70 58.91 3kcu h MET 248 Cb 0.30 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.33 3kcu h MET 248 CO -0.28 1.03 0.12 -0.91 -0.40 0.00 0.00 176.91 176.46 3kcu h ASN 249 N 0.54 0.52 -0.19 1.39 2.35 -1.77 -0.34 115.58 118.09 3kcu h ASN 249 Ca 0.05 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3kcu h ASN 249 Cb 0.88 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 3kcu h ASN 249 CO 0.08 0.51 0.09 0.15 -1.65 0.00 0.00 177.43 176.60 3kcu h PHE 250 N 0.56 0.26 0.08 1.19 3.57 -0.21 -0.24 116.94 122.15 3kcu h PHE 250 Ca 0.13 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3kcu h PHE 250 Cb 0.18 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3kcu h PHE 250 CO 0.01 0.27 -0.04 0.82 -2.23 0.00 0.00 178.31 177.14 3kcu h ILE 251 N 0.18 1.09 0.18 1.41 2.04 -0.78 -0.49 117.51 121.13 3kcu h ILE 251 Ca 0.06 -0.60 -0.32 0.00 1.00 0.00 0.00 64.86 65.00 3kcu h ILE 251 Cb 0.10 1.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3kcu h ILE 251 CO -0.01 0.15 -1.49 0.71 0.00 0.00 0.00 178.15 177.51 3kcu h THR 252 N -0.38 1.23 0.00 -0.27 1.35 -1.12 -1.04 112.91 112.68 3kcu h THR 252 Ca -0.01 -2.78 -0.05 0.00 -0.55 0.00 0.00 66.41 63.02 3kcu h THR 252 Cb 0.33 2.89 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 3kcu h THR 252 CO 0.02 0.84 -1.13 0.47 -0.25 0.00 0.00 175.52 175.47 3kcu n ASP 253 N -3.58 0.85 0.04 5.36 10.43 -0.10 -4.59 116.55 124.96 3kcu n ASP 253 Ca -0.16 0.34 0.00 0.00 2.57 0.00 0.00 54.79 57.54 3kcu n ASP 253 Cb 1.06 0.36 0.00 0.00 1.84 0.00 0.00 41.12 44.39 3kcu n ASP 253 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3kcu n ASN 254 N -2.74 0.91 -0.10 -2.24 2.85 -1.09 -4.74 115.26 108.11 3kcu n ASN 254 Ca -0.03 0.12 -0.07 0.00 -0.11 0.00 0.00 54.58 54.49 3kcu n ASN 254 Cb 0.64 -0.27 0.01 0.00 1.24 0.00 0.00 39.78 41.39 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 0.24 0.95 1.20 5.85 -0.93 0.29 115.31 122.91 3kcu h LEU 255 Ca 0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3kcu h LEU 255 Cb 0.00 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.01 3kcu h LEU 255 CO 0.00 0.18 -0.48 0.40 -0.34 0.00 0.00 178.44 178.20 3kcu h ILE 256 N 0.35 0.00 -0.72 4.05 5.03 -1.44 -0.20 117.51 124.57 3kcu h ILE 256 Ca 0.15 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.86 3kcu h ILE 256 Cb 0.06 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.82 3kcu h ILE 256 CO -0.11 0.00 0.33 -0.65 -0.68 0.00 0.00 178.15 177.04 3kcu h PRO 257 N -1.31 1.05 -0.55 2.37 0.11 -1.79 -0.68 132.00 131.20 3kcu h PRO 257 Ca -0.13 -0.16 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3kcu h PRO 257 Cb 1.01 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 3kcu h PRO 257 CO 0.19 0.83 0.24 0.28 -0.21 0.00 0.00 178.00 179.33 3kcu h VAL 258 N 1.01 1.21 -0.12 3.15 2.07 -0.95 0.17 116.25 122.80 3kcu h VAL 258 Ca 0.25 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3kcu h VAL 258 Cb 0.14 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3kcu h VAL 258 CO -0.03 0.25 0.08 0.74 0.02 0.00 0.00 177.57 178.63 3kcu h THR 259 N 0.75 1.05 -0.58 2.57 2.02 -0.64 0.32 112.91 118.39 3kcu h THR 259 Ca 0.19 -0.11 0.10 0.00 0.77 0.00 0.00 66.41 67.35 3kcu h THR 259 Cb 0.17 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 3kcu h THR 259 CO -0.02 0.05 0.18 0.40 0.37 0.00 0.00 175.52 176.50 3kcu h ILE 260 N 0.14 0.74 0.03 3.11 2.04 -0.92 0.45 117.51 123.10 3kcu h ILE 260 Ca 0.04 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3kcu h ILE 260 Cb 0.01 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3kcu h ILE 260 CO -0.01 0.06 -0.02 1.23 0.00 0.00 0.00 178.15 179.41 3kcu h GLY 261 N 0.34 -0.05 0.43 5.37 0.00 0.11 0.10 103.07 109.38 3kcu h GLY 261 Ca 0.30 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.74 3kcu h GLY 261 CO -0.33 -0.02 0.24 3.43 0.00 0.00 0.00 176.54 179.86 3kcu h ASN 262 N -0.05 0.26 -0.05 0.19 -0.26 0.00 0.11 115.58 115.78 3kcu h ASN 262 Ca -0.00 0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.82 3kcu h ASN 262 Cb 0.05 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 3kcu h ASN 262 CO -0.00 0.16 -0.00 0.40 -1.06 0.00 0.00 177.43 176.93 3kcu h ILE 263 N 0.43 0.96 -0.83 2.81 2.04 -0.51 -2.19 117.51 120.22 3kcu h ILE 263 Ca 0.30 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.16 3kcu h ILE 263 Cb 0.35 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3kcu h ILE 263 CO -0.29 0.00 0.55 0.40 0.00 0.00 0.00 178.15 178.82 3kcu h ILE 264 N 0.02 1.21 -0.72 -0.67 2.04 -0.30 -0.61 117.51 118.48 3kcu h ILE 264 Ca 0.02 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3kcu h ILE 264 Cb 0.03 -0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.03 3kcu h ILE 264 CO -0.04 0.21 0.40 1.23 0.00 0.00 0.00 178.15 179.95 3kcu h GLY 265 N 1.13 1.07 0.99 5.37 0.00 -0.56 -0.07 103.07 111.00 3kcu h GLY 265 Ca 0.31 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3kcu h GLY 265 CO -0.07 0.15 0.18 -1.33 0.00 0.00 0.00 176.54 175.47 3kcu h GLY 266 N 0.73 0.93 0.96 4.60 0.00 -0.87 -3.08 103.07 106.34 3kcu h GLY 266 Ca 0.33 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3kcu h GLY 266 CO -0.20 0.52 0.20 -1.33 0.00 0.00 0.00 176.54 175.72 3kcu h GLY 267 N 0.78 0.62 0.23 4.60 0.00 -0.14 -0.50 103.07 108.67 3kcu h GLY 267 Ca 0.18 -0.30 0.09 0.00 0.00 0.00 0.00 47.33 47.30 3kcu h GLY 267 CO -0.01 0.29 -0.01 1.41 0.00 0.00 0.00 176.54 178.23 3kcu h LEU 268 N 0.52 -0.21 -0.74 3.11 3.38 -1.04 0.22 115.31 120.55 3kcu h LEU 268 Ca 0.14 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 3kcu h LEU 268 Cb 0.11 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3kcu h LEU 268 CO -0.02 -0.07 -0.26 -0.07 0.09 0.00 0.00 178.44 178.12 3kcu h LEU 269 N 0.11 0.70 -0.09 1.67 3.38 -1.39 0.39 115.31 120.08 3kcu h LEU 269 Ca 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kcu h LEU 269 Cb 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kcu h LEU 269 CO -0.39 0.93 0.03 0.58 0.09 0.00 0.00 178.44 179.68 3kcu h VAL 270 N 0.60 1.18 -0.36 1.22 2.07 -0.47 0.85 116.25 121.34 3kcu h VAL 270 Ca 0.08 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3kcu h VAL 270 Cb 0.75 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3kcu h VAL 270 CO 0.06 0.15 0.09 1.23 0.02 0.00 0.00 177.57 179.13 3kcu h GLY 271 N -0.05 0.43 0.91 2.17 0.00 -0.48 -0.11 103.07 105.94 3kcu h GLY 271 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3kcu h GLY 271 CO -0.00 -0.00 -0.09 -2.00 0.00 0.00 0.00 176.54 174.44 3kcu h LEU 272 N 0.23 -0.24 -0.55 3.11 5.85 -0.74 -2.45 115.31 120.51 3kcu h LEU 272 Ca 0.17 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3kcu h LEU 272 Cb 0.17 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3kcu h LEU 272 CO -0.20 -0.15 0.22 0.74 -0.34 0.00 0.00 178.44 178.71 3kcu h THR 273 N -0.22 0.84 -0.73 1.05 2.02 -0.58 -2.30 112.91 112.98 3kcu h THR 273 Ca -0.00 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 67.12 3kcu h THR 273 Cb 0.20 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 66.93 3kcu h THR 273 CO -0.01 0.08 0.39 0.22 0.37 0.00 0.00 175.52 176.56 3kcu h TYR 274 N 0.42 0.70 0.17 3.16 5.03 -0.71 -0.78 116.97 124.95 3kcu h TYR 274 Ca 0.26 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 3kcu h TYR 274 Cb 0.27 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.35 3kcu h TYR 274 CO -0.15 0.27 -0.08 -1.49 -1.32 0.00 0.00 178.16 175.40 3kcu h TRP 275 N 0.66 -0.21 -0.91 -3.82 4.06 -0.97 -1.18 115.95 113.59 3kcu h TRP 275 Ca 0.36 -0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.43 3kcu h TRP 275 Cb 0.34 0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 28.50 3kcu h TRP 275 CO -0.09 0.05 0.59 0.28 -3.56 0.00 0.00 178.44 175.70 3kcu h VAL 276 N -0.45 0.87 0.63 1.49 2.07 -1.09 -2.68 116.25 117.11 3kcu h VAL 276 Ca -0.02 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3kcu h VAL 276 Cb 0.35 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3kcu h VAL 276 CO 0.04 0.14 -0.30 0.40 0.02 0.00 0.00 177.57 177.87 3kcu h ILE 277 N 0.79 0.01 0.00 4.57 2.04 -1.06 -3.52 117.51 120.34 3kcu h ILE 277 Ca 0.45 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3kcu h ILE 277 Cb 0.62 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3kcu h ILE 277 CO -0.22 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.94