#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kly n GLY 22 N 0.00 -0.02 0.18 3.38 0.00 -1.26 -4.54 105.19 102.93 3kly n GLY 22 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3kly n GLY 22 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kly h GLU 23 N 0.00 0.50 -0.65 1.61 4.81 -2.10 -3.13 114.58 115.62 3kly h GLU 23 Ca -0.03 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 3kly h GLU 23 Cb 1.04 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3kly h GLU 23 CO -0.00 1.07 0.28 0.78 -0.73 0.00 0.00 179.01 180.41 3kly h GLY 24 N 1.10 1.01 0.00 1.92 0.00 -2.08 -3.43 103.07 101.58 3kly h GLY 24 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3kly h GLY 24 CO 0.14 0.48 0.00 0.28 0.00 0.00 0.00 176.54 177.44 3kly n LYS 25 N -4.32 3.07 0.00 4.80 5.02 -1.18 -4.40 118.16 121.14 3kly n LYS 25 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3kly n LYS 25 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 3kly n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kly n ALA 26 N -3.00 0.00 0.25 7.82 0.00 -1.26 -4.60 120.51 119.72 3kly n ALA 26 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3kly n ALA 26 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 19.45 19.99 3kly n ALA 26 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kly h LYS 27 N 0.43 0.00 0.00 0.00 3.64 -1.91 -1.58 116.57 117.15 3kly h LYS 27 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kly h LYS 27 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3kly h LYS 27 CO 0.00 0.11 0.00 1.57 -2.27 0.00 0.00 179.45 178.86 3kly h LYS 28 N 0.00 0.00 -0.01 1.90 2.10 -1.91 -0.48 116.57 118.16 3kly h LYS 28 Ca -0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 3kly h LYS 28 Cb 0.66 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.97 3kly h LYS 28 CO 0.01 0.00 -0.60 0.00 -2.00 0.00 0.00 179.45 176.86 3kly h ALA 29 N 2.01 0.97 -0.10 0.07 0.00 -1.66 -0.26 119.26 120.30 3kly h ALA 29 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3kly h ALA 29 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kly h ALA 29 CO 0.00 0.75 -0.06 0.00 0.00 0.00 0.00 179.25 179.94 3kly h ALA 30 N 1.36 0.14 -0.71 0.00 0.00 -1.21 -1.17 119.26 117.68 3kly h ALA 30 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kly h ALA 30 Cb 1.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3kly h ALA 30 CO 0.08 -0.08 0.43 1.88 0.00 0.00 0.00 179.25 181.57 3kly h TYR 31 N -0.15 0.92 -0.29 0.00 0.05 -1.42 -0.18 116.97 115.90 3kly h TYR 31 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3kly h TYR 31 Cb 0.52 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3kly h TYR 31 CO 0.07 0.61 0.15 -0.22 -1.05 0.00 0.00 178.16 177.72 3kly h LYS 32 N 0.97 0.41 -0.84 4.88 3.64 -0.93 -0.34 116.57 124.37 3kly h LYS 32 Ca 0.26 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3kly h LYS 32 Cb -0.05 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 3kly h LYS 32 CO -0.05 0.38 0.52 0.77 -2.27 0.00 0.00 179.45 178.79 3kly h SER 33 N 0.34 0.99 -0.08 4.20 0.02 -0.69 -2.01 113.55 116.33 3kly h SER 33 Ca 0.10 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kly h SER 33 Cb 0.09 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 3kly h SER 33 CO -0.01 0.75 0.04 0.15 -1.14 0.00 0.00 176.83 176.62 3kly h PHE 34 N 1.15 0.11 -0.65 3.45 3.57 -0.62 -0.38 116.94 123.58 3kly h PHE 34 Ca 0.30 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3kly h PHE 34 Cb -0.07 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3kly h PHE 34 CO 0.00 0.19 0.34 -0.07 -2.23 0.00 0.00 178.31 176.54 3kly h LEU 35 N 0.00 0.83 -1.29 0.59 3.38 -0.90 -0.04 115.31 117.87 3kly h LEU 35 Ca 0.03 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3kly h LEU 35 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kly h LEU 35 CO -0.00 0.70 -0.27 -0.07 0.09 0.00 0.00 178.44 178.88 3kly h LEU 36 N 0.89 0.00 -0.01 1.67 3.38 -1.26 -0.86 115.31 119.13 3kly h LEU 36 Ca 0.23 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 3kly h LEU 36 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kly h LEU 36 CO -0.03 0.27 -0.50 0.00 0.09 0.00 0.00 178.44 178.27 3kly h ALA 37 N 1.73 0.08 -0.33 1.53 0.00 -0.51 -1.56 119.26 120.19 3kly h ALA 37 Ca -0.00 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.43 3kly h ALA 37 Cb 0.67 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3kly h ALA 37 CO 0.04 0.29 -0.01 0.82 0.00 0.00 0.00 179.25 180.38 3kly h ILE 38 N -0.17 0.74 -0.63 0.00 2.04 -0.84 -1.22 117.51 117.42 3kly h ILE 38 Ca -0.06 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 65.88 3kly h ILE 38 Cb 1.21 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 3kly h ILE 38 CO 0.10 0.01 0.22 -1.28 0.00 0.00 0.00 178.15 177.20 3kly h SER 39 N 0.08 0.18 -0.02 1.72 0.87 -1.15 -2.26 113.55 112.98 3kly h SER 39 Ca 0.16 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 3kly h SER 39 Cb 0.22 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3kly h SER 39 CO -0.28 0.10 -0.31 0.00 -0.53 0.00 0.00 176.83 175.81 3kly h ALA 40 N 1.46 1.03 -0.53 6.23 0.00 -0.82 -2.00 119.26 124.62 3kly h ALA 40 Ca 0.33 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kly h ALA 40 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kly h ALA 40 CO -0.35 0.59 0.28 0.78 0.00 0.00 0.00 179.25 180.55 3kly h GLY 41 N 1.05 0.81 0.98 0.00 0.00 -0.68 -1.38 103.07 103.84 3kly h GLY 41 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3kly h GLY 41 CO 0.06 0.36 0.25 -2.22 0.00 0.00 0.00 176.54 174.99 3kly h ILE 42 N 0.71 1.19 -0.50 2.60 2.04 -1.26 -1.12 117.51 121.17 3kly h ILE 42 Ca 0.19 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 3kly h ILE 42 Cb 0.08 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3kly h ILE 42 CO -0.03 0.22 0.06 1.56 0.00 0.00 0.00 178.15 179.96 3kly h GLN 43 N 0.68 0.84 -0.04 2.37 4.20 -1.15 0.96 115.11 122.96 3kly h GLN 43 Ca 0.18 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 3kly h GLN 43 Cb 0.11 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3kly h GLN 43 CO -0.02 0.84 -0.58 0.82 -0.67 0.00 0.00 178.83 179.22 3kly h ILE 44 N 0.71 1.39 -0.63 2.54 1.08 -1.26 -2.85 117.51 118.49 3kly h ILE 44 Ca 0.15 -1.94 -0.02 0.00 -0.39 0.00 0.00 64.86 62.66 3kly h ILE 44 Cb 0.42 2.00 -0.03 0.00 -3.07 0.00 0.00 36.82 36.14 3kly h ILE 44 CO 0.01 0.57 0.32 1.23 -0.69 0.00 0.00 178.15 179.59 3kly h GLY 45 N 1.56 0.95 0.70 5.37 0.00 -0.67 -2.73 103.07 108.26 3kly h GLY 45 Ca -0.00 -0.45 0.10 0.00 0.00 0.00 0.00 47.33 46.97 3kly h GLY 45 CO 0.08 0.43 0.58 -2.22 0.00 0.00 0.00 176.54 175.42 3kly h ILE 46 N 0.86 0.97 -0.76 2.60 2.04 -0.60 -1.43 117.51 121.18 3kly h ILE 46 Ca 0.22 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3kly h ILE 46 Cb 0.08 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 3kly h ILE 46 CO -0.03 0.16 0.41 0.00 0.00 0.00 0.00 178.15 178.69 3kly h ALA 47 N 1.55 1.28 -0.05 1.87 0.00 -1.28 -1.37 119.26 121.26 3kly h ALA 47 Ca 0.42 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 3kly h ALA 47 Cb 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kly h ALA 47 CO -0.18 0.58 -0.71 0.74 0.00 0.00 0.00 179.25 179.68 3kly h PHE 48 N 1.07 0.34 -0.27 0.00 0.04 -1.19 -0.90 116.94 116.03 3kly h PHE 48 Ca 0.27 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.89 3kly h PHE 48 Cb 0.04 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3kly h PHE 48 CO 0.01 0.87 0.17 0.28 -0.60 0.00 0.00 178.31 179.04 3kly h VAL 49 N 0.17 1.05 0.11 -0.55 2.07 -1.06 -0.38 116.25 117.66 3kly h VAL 49 Ca -0.02 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kly h VAL 49 Cb 1.26 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3kly h VAL 49 CO 0.11 0.06 -0.07 0.15 0.02 0.00 0.00 177.57 177.85 3kly h PHE 50 N 0.35 -0.17 -0.61 1.57 3.04 -1.17 -1.95 116.94 118.00 3kly h PHE 50 Ca 0.10 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.18 3kly h PHE 50 Cb -0.02 0.06 -0.10 0.00 2.56 0.00 0.00 35.95 38.45 3kly h PHE 50 CO -0.07 -0.10 0.05 -0.92 -2.02 0.00 0.00 178.31 175.25 3kly h TYR 51 N -0.17 0.05 -0.42 0.41 5.03 -1.04 -1.58 116.97 119.26 3kly h TYR 51 Ca -0.01 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 3kly h TYR 51 Cb 0.14 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 3kly h TYR 51 CO -0.08 -0.12 0.14 1.15 -1.32 0.00 0.00 178.16 177.93 3kly h THR 52 N 0.17 1.21 0.28 1.81 2.02 -0.79 -2.14 112.91 115.48 3kly h THR 52 Ca 0.32 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3kly h THR 52 Cb 0.52 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3kly h THR 52 CO -0.49 0.25 -0.26 0.58 0.37 0.00 0.00 175.52 175.97 3kly h VAL 53 N 0.54 0.44 -0.73 3.16 2.07 -1.02 -2.74 116.25 117.96 3kly h VAL 53 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 3kly h VAL 53 Cb 0.25 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3kly h VAL 53 CO -0.01 0.00 0.48 0.58 0.02 0.00 0.00 177.57 178.64 3kly h VAL 54 N -0.57 1.14 -0.22 2.57 2.07 -1.10 -1.72 116.25 118.42 3kly h VAL 54 Ca -0.01 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kly h VAL 54 Cb 0.52 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3kly h VAL 54 CO -0.04 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.06 3kly n THR 55 N -4.44 0.28 -2.56 2.57 -2.24 -0.82 -4.91 114.28 102.16 3kly n THR 55 Ca 0.09 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 3kly n THR 55 Cb 0.09 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 3kly n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kly s THR 56 N -1.72 3.90 -0.39 4.28 2.01 -0.65 -3.59 115.64 119.48 3kly s THR 56 Ca 0.32 1.70 0.00 0.00 0.31 0.00 0.00 61.69 64.02 3kly s THR 56 Cb 0.17 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.60 3kly s THR 56 CO 0.26 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3kly n GLY 57 N 1.87 0.67 1.47 4.40 0.00 -1.26 -4.92 105.19 107.43 3kly n GLY 57 Ca 0.02 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.39 3kly n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kly n ALA 58 N 1.07 3.41 -0.35 4.61 0.00 -1.24 -4.60 120.51 123.42 3kly n ALA 58 Ca -0.04 -1.36 0.14 0.00 0.00 0.00 0.00 53.44 52.18 3kly n ALA 58 Cb 0.14 -1.08 0.33 0.00 0.00 0.00 0.00 19.45 18.85 3kly n ALA 58 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3kly h HIS 59 N 2.97 1.04 -0.01 0.00 2.07 -1.91 -1.19 115.15 118.13 3kly h HIS 59 Ca 0.00 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 3kly h HIS 59 Cb 1.50 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 31.18 3kly h HIS 59 CO 0.76 0.18 -0.27 -0.25 -3.07 0.00 0.00 177.93 175.29 3kly n ASP 60 N -4.81 0.83 -4.85 3.10 8.00 -1.26 -4.90 116.55 112.65 3kly n ASP 60 Ca 0.24 -0.70 -0.32 0.00 0.71 0.00 0.00 54.79 54.73 3kly n ASP 60 Cb 0.62 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 3kly n ASP 60 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3kly s MET 61 N -2.59 3.90 0.42 -1.24 -1.94 -0.45 -5.01 119.30 112.38 3kly s MET 61 Ca 0.22 0.79 -0.26 0.00 -1.71 0.00 0.00 55.69 54.73 3kly s MET 61 Cb 0.19 -2.23 -0.10 0.00 2.01 0.00 0.00 34.83 34.71 3kly s MET 61 CO 0.54 -0.18 1.38 -2.30 -0.01 0.00 0.00 175.02 174.46 3kly n PRO 62 N -1.45 2.24 -0.01 2.03 -0.02 -1.26 -4.88 135.00 131.65 3kly n PRO 62 Ca 0.05 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3kly n PRO 62 Cb 0.54 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3kly n PRO 62 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3kly h TYR 63 N 2.39 -0.87 -0.85 6.00 5.03 -1.95 -2.42 116.97 124.31 3kly h TYR 63 Ca -0.49 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 60.83 3kly h TYR 63 Cb 1.27 0.40 -0.04 0.00 1.55 0.00 0.00 36.73 39.92 3kly h TYR 63 CO 0.50 -0.39 0.43 0.78 -1.32 0.00 0.00 178.16 178.16 3kly h GLY 64 N -0.37 1.30 1.00 1.82 0.00 -1.99 -2.34 103.07 102.48 3kly h GLY 64 Ca 0.10 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3kly h GLY 64 CO -0.37 0.60 0.39 -2.08 0.00 0.00 0.00 176.54 175.08 3kly h VAL 65 N 1.20 1.20 -0.16 4.60 2.07 -1.91 -1.85 116.25 121.41 3kly h VAL 65 Ca 0.29 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3kly h VAL 65 Cb 0.09 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3kly h VAL 65 CO -0.04 0.22 0.08 0.74 0.02 0.00 0.00 177.57 178.59 3kly h THR 66 N 0.93 1.12 -0.91 2.57 2.02 -1.18 -1.82 112.91 115.62 3kly h THR 66 Ca 0.24 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3kly h THR 66 Cb 0.01 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 3kly h THR 66 CO -0.04 0.11 0.54 0.11 0.37 0.00 0.00 175.52 176.61 3kly h LYS 67 N 0.13 1.25 -0.06 6.66 1.79 -1.37 -2.27 116.57 122.70 3kly h LYS 67 Ca 0.05 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3kly h LYS 67 Cb 0.10 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.49 3kly h LYS 67 CO -0.01 0.88 0.04 1.25 -1.08 0.00 0.00 179.45 180.53 3kly h LEU 68 N 1.26 0.07 -0.54 2.94 5.85 -1.18 -0.02 115.31 123.69 3kly h LEU 68 Ca 0.33 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3kly h LEU 68 Cb -0.04 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3kly h LEU 68 CO -0.06 0.11 0.31 -0.07 -0.34 0.00 0.00 178.44 178.39 3kly h LEU 69 N 0.03 0.49 -0.71 2.25 3.38 -1.16 0.70 115.31 120.29 3kly h LEU 69 Ca 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kly h LEU 69 Cb 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3kly h LEU 69 CO -0.00 0.34 0.44 1.23 0.09 0.00 0.00 178.44 180.54 3kly h GLY 70 N 0.61 1.03 1.04 0.83 0.00 -1.28 -2.14 103.07 103.15 3kly h GLY 70 Ca 0.23 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3kly h GLY 70 CO -0.12 0.40 0.10 -1.33 0.00 0.00 0.00 176.54 175.59 3kly h GLY 71 N 0.97 1.08 1.00 4.60 0.00 -0.22 -0.32 103.07 110.18 3kly h GLY 71 Ca 0.26 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3kly h GLY 71 CO -0.05 0.67 0.40 1.41 0.00 0.00 0.00 176.54 178.97 3kly h LEU 72 N 0.91 0.74 -0.67 3.11 3.38 -0.73 -2.57 115.31 119.48 3kly h LEU 72 Ca 0.18 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3kly h LEU 72 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kly h LEU 72 CO 0.01 0.56 -0.04 0.00 0.09 0.00 0.00 178.44 179.05 3kly h ALA 73 N 1.21 0.87 -0.05 1.53 0.00 -1.09 -2.79 119.26 118.94 3kly h ALA 73 Ca 0.23 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kly h ALA 73 Cb -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kly h ALA 73 CO -0.05 0.65 0.08 0.35 0.00 0.00 0.00 179.25 180.28 3kly h PHE 74 N 0.90 0.00 -0.13 0.00 3.04 -0.65 -2.54 116.94 117.56 3kly h PHE 74 Ca 0.15 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.14 3kly h PHE 74 Cb 0.58 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 3kly h PHE 74 CO 0.04 0.00 0.11 0.66 -2.02 0.00 0.00 178.31 177.10 3kly h SER 75 N 0.00 0.00 -0.91 0.41 4.64 -1.32 -1.28 113.55 115.09 3kly h SER 75 Ca 0.02 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.58 3kly h SER 75 Cb 0.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.13 3kly h SER 75 CO -0.00 0.00 0.39 0.25 -0.87 0.00 0.00 176.83 176.60 3kly h LEU 76 N 0.00 0.28 -0.33 5.97 5.85 -1.66 -2.17 115.31 123.25 3kly h LEU 76 Ca 0.06 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3kly h LEU 76 Cb 0.28 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3kly h LEU 76 CO -0.00 -0.06 0.12 1.23 -0.34 0.00 0.00 178.44 179.39 3kly h GLY 77 N 0.34 0.42 1.78 3.75 0.00 -1.45 -0.19 103.07 107.72 3kly h GLY 77 Ca 0.59 -0.07 -0.17 0.00 0.00 0.00 0.00 47.33 47.67 3kly h GLY 77 CO -0.57 0.03 -0.76 -2.00 0.00 0.00 0.00 176.54 173.24 3kly h LEU 78 N 0.26 0.26 -0.46 3.11 5.85 -1.64 -1.88 115.31 120.81 3kly h LEU 78 Ca 0.15 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kly h LEU 78 Cb 0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3kly h LEU 78 CO -0.15 0.92 0.28 0.40 -0.34 0.00 0.00 178.44 179.55 3kly h ILE 79 N 0.14 1.14 0.34 4.05 2.04 -1.03 0.72 117.51 124.90 3kly h ILE 79 Ca -0.03 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3kly h ILE 79 Cb 1.33 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3kly h ILE 79 CO 0.12 0.14 -0.16 -0.07 0.00 0.00 0.00 178.15 178.17 3kly h LEU 80 N 0.61 -0.38 -0.13 1.44 3.38 -0.93 -1.52 115.31 117.78 3kly h LEU 80 Ca 0.16 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3kly h LEU 80 Cb -0.02 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3kly h LEU 80 CO -0.03 -0.24 -0.16 0.58 0.09 0.00 0.00 178.44 178.67 3kly h VAL 81 N -0.50 0.57 -0.44 1.22 2.07 -1.16 -0.52 116.25 117.49 3kly h VAL 81 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3kly h VAL 81 Cb 0.38 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3kly h VAL 81 CO 0.08 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.43 3kly h VAL 82 N -0.20 1.20 0.03 2.57 2.07 -0.85 -1.35 116.25 119.71 3kly h VAL 82 Ca 0.10 -0.61 -0.21 0.00 0.82 0.00 0.00 66.70 66.79 3kly h VAL 82 Cb 0.34 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3kly h VAL 82 CO -0.25 0.23 -0.98 0.40 0.02 0.00 0.00 177.57 176.98 3kly h ILE 83 N 0.57 1.59 -0.00 4.57 2.04 -1.04 -3.17 117.51 122.07 3kly h ILE 83 Ca 0.15 -3.03 0.00 0.00 1.00 0.00 0.00 64.86 62.98 3kly h ILE 83 Cb 0.18 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 3kly h ILE 83 CO -0.01 0.87 -0.25 0.35 0.00 0.00 0.00 178.15 179.11 3kly n THR 84 N -3.51 0.00 -1.44 -0.27 -2.24 -0.22 -4.95 114.28 101.66 3kly n THR 84 Ca -0.03 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3kly n THR 84 Cb 0.89 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3kly n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kly n GLY 85 N 1.40 0.40 3.73 3.38 0.00 -0.85 -5.04 105.19 108.21 3kly n GLY 85 Ca 0.10 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 3kly n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kly s GLY 86 N -2.98 2.36 -0.42 -0.02 0.00 -0.57 -4.98 107.32 100.70 3kly s GLY 86 Ca 0.00 0.85 -0.12 0.00 0.00 0.00 0.00 44.72 45.45 3kly s GLY 86 CO 0.00 1.25 0.29 -0.54 0.00 0.00 0.00 173.10 174.10 3kly s GLU 87 N -3.89 2.82 -0.23 2.90 2.02 -0.67 -4.84 118.70 116.82 3kly s GLU 87 Ca 0.74 -1.28 -0.07 0.00 0.02 0.00 0.00 54.97 54.38 3kly s GLU 87 Cb -0.28 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.01 3kly s GLU 87 CO 0.44 -0.89 0.05 -1.17 0.02 0.00 0.00 175.26 173.71 3kly s LEU 88 N 1.56 3.43 0.19 1.80 2.96 -1.26 -4.13 118.68 123.23 3kly s LEU 88 Ca 0.03 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.53 3kly s LEU 88 Cb -0.22 -1.90 0.10 0.00 0.50 0.00 0.00 46.19 44.66 3kly s LEU 88 CO 0.06 0.02 1.55 0.15 -1.32 0.00 0.00 176.35 176.81 3kly h PHE 89 N 7.85 -1.38 -0.89 5.38 3.57 -1.84 0.29 116.94 129.92 3kly h PHE 89 Ca -0.37 0.11 0.15 0.00 3.53 0.00 0.00 57.97 61.38 3kly h PHE 89 Cb 1.18 0.73 -0.07 0.00 2.79 0.00 0.00 35.95 40.57 3kly h PHE 89 CO 0.64 -0.40 0.58 1.79 -2.23 0.00 0.00 178.31 178.68 3kly h THR 90 N -0.06 0.82 0.00 4.41 1.35 -1.97 -3.36 112.91 114.10 3kly h THR 90 Ca 0.25 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3kly h THR 90 Cb 0.53 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 3kly h THR 90 CO -0.90 0.12 -0.55 -1.20 -0.25 0.00 0.00 175.52 172.75 3kly n SER 91 N -4.56 1.26 -4.57 5.36 7.64 0.02 -4.74 113.62 114.02 3kly n SER 91 Ca 0.18 0.21 -0.24 0.00 1.01 0.00 0.00 58.87 60.02 3kly n SER 91 Cb 0.49 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 3kly n SER 91 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3kly s SER 92 N -5.46 4.66 0.00 6.43 0.15 0.80 -2.99 113.70 117.29 3kly s SER 92 Ca -0.16 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.34 3kly s SER 92 Cb 0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3kly s SER 92 CO 0.24 -3.38 0.00 0.55 1.20 0.00 0.00 173.24 171.84 3kly n VAL 93 N 8.14 0.00 0.00 4.45 3.14 -1.26 -4.36 118.33 128.44 3kly n VAL 93 Ca 0.43 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.81 3kly n VAL 93 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 3kly n VAL 93 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kly n LEU 94 N 0.00 0.00 -0.04 6.55 -0.00 -1.16 -4.71 117.00 117.64 3kly n LEU 94 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 3kly n LEU 94 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.43 3kly n LEU 94 CO 0.00 0.00 0.68 -0.29 -0.00 0.00 0.00 177.39 177.78 3kly h ILE 95 N 0.00 0.35 0.00 1.47 -0.00 -1.94 0.25 117.51 117.64 3kly h ILE 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3kly h ILE 95 Cb 0.20 0.35 0.00 0.00 -0.00 0.00 0.00 36.82 37.37 3kly h ILE 95 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.15 178.33 3kly n LEU 96 N -5.39 0.24 -4.20 2.19 4.77 -1.26 -4.42 117.00 108.93 3kly n LEU 96 Ca -0.01 0.53 -0.39 0.00 -0.03 0.00 0.00 56.01 56.11 3kly n LEU 96 Cb 0.30 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3kly n LEU 96 CO 0.14 -0.15 2.04 0.52 -1.33 0.00 0.00 177.39 178.62 3kly n VAL 97 N -1.74 2.88 0.14 4.08 0.31 0.07 -2.49 118.33 121.58 3kly n VAL 97 Ca 0.05 -2.81 0.00 0.00 -0.01 0.00 0.00 64.34 61.58 3kly n VAL 97 Cb 0.31 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 30.89 3kly n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kly n ALA 98 N 9.28 0.00 -3.59 3.52 0.00 0.76 -4.89 120.51 125.59 3kly n ALA 98 Ca 0.49 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 3kly n ALA 98 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.73 3kly n ALA 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kly s LYS 99 N -2.00 0.08 -0.38 0.00 2.47 -1.24 -0.86 119.74 117.81 3kly s LYS 99 Ca 0.00 0.12 -0.20 0.00 -1.56 0.00 0.00 55.97 54.33 3kly s LYS 99 Cb 0.00 -1.35 0.01 0.00 -1.46 0.00 0.00 37.83 35.02 3kly s LYS 99 CO 0.00 -0.59 0.61 0.00 0.16 0.00 0.00 175.35 175.53 3kly s ALA 100 N 2.21 3.43 0.00 3.13 0.00 0.21 -4.63 121.76 126.11 3kly s ALA 100 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3kly s ALA 100 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3kly s ALA 100 CO -0.09 -1.44 0.00 0.43 0.00 0.00 0.00 175.76 174.66 3kly n SER 101 N 6.03 0.00 -4.12 0.00 7.64 -0.04 -1.70 113.62 121.43 3kly n SER 101 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.43 3kly n SER 101 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3kly n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kly n GLY 102 N 0.00 3.77 5.32 0.23 0.00 -1.26 -0.17 105.19 113.08 3kly n GLY 102 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3kly n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kly n LYS 103 N 6.34 0.00 -0.04 1.61 4.81 -1.04 0.29 118.16 130.13 3kly n LYS 103 Ca 0.47 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.92 3kly n LYS 103 Cb 0.41 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.48 3kly n LYS 103 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3kly n ILE 104 N 0.00 0.74 -1.96 3.15 -5.35 -1.22 0.65 119.36 115.38 3kly n ILE 104 Ca 0.00 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 3kly n ILE 104 Cb 0.00 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 3kly n ILE 104 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3kly n SER 105 N -0.43 -7.98 0.00 7.28 7.64 0.14 -4.68 113.62 115.60 3kly n SER 105 Ca 0.02 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.24 3kly n SER 105 Cb 0.39 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 3kly n SER 105 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3kly n TRP 106 N 1.53 0.00 0.29 1.43 -0.00 -1.26 -4.75 117.44 114.68 3kly n TRP 106 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.67 3kly n TRP 106 Cb 0.00 0.00 0.95 0.00 -0.00 0.00 0.00 31.31 32.26 3kly n TRP 106 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 3kly h LYS 107 N 0.00 0.00 -0.51 5.87 -0.00 -1.96 0.29 116.57 120.26 3kly h LYS 107 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3kly h LYS 107 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.21 3kly h LYS 107 CO 0.00 0.00 0.31 0.93 -0.00 0.00 0.00 179.45 180.69 3kly h GLU 108 N 0.00 0.69 -0.25 0.07 4.39 -1.85 0.60 114.58 118.24 3kly h GLU 108 Ca 0.01 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.72 3kly h GLU 108 Cb 0.09 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3kly h GLU 108 CO -0.00 0.49 0.19 1.25 -1.16 0.00 0.00 179.01 179.78 3kly h LEU 109 N 0.68 0.00 0.06 1.33 7.12 -0.97 0.21 115.31 123.75 3kly h LEU 109 Ca 0.18 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.98 3kly h LEU 109 Cb -0.02 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.13 3kly h LEU 109 CO -0.04 0.00 -0.88 0.58 -0.13 0.00 0.00 178.44 177.98 3kly h VAL 110 N 0.00 1.38 -0.67 1.05 2.07 -1.12 -2.86 116.25 116.10 3kly h VAL 110 Ca 0.12 -2.29 0.02 0.00 0.82 0.00 0.00 66.70 65.36 3kly h VAL 110 Cb 0.49 2.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 3kly h VAL 110 CO -0.00 0.68 0.44 -0.09 0.02 0.00 0.00 177.57 178.61 3kly h ARG 111 N 0.01 0.85 0.07 1.57 1.12 0.70 -0.13 114.38 118.58 3kly h ARG 111 Ca -0.13 -0.05 0.02 0.00 -1.11 0.00 0.00 59.98 58.71 3kly h ARG 111 Cb 1.59 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 31.34 3kly h ARG 111 CO 0.17 0.57 -0.16 -0.97 -3.11 0.00 0.00 179.97 176.46 3kly h ASN 112 N 0.88 -0.46 -0.50 -3.80 -1.24 -0.73 -1.94 115.58 107.79 3kly h ASN 112 Ca 0.26 0.06 0.06 0.00 0.71 0.00 0.00 56.30 57.38 3kly h ASN 112 Cb -0.06 0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.12 3kly h ASN 112 CO -0.07 -0.23 0.21 -0.50 -1.29 0.00 0.00 177.43 175.55 3kly h TRP 113 N -0.31 0.38 -0.88 0.67 4.06 -1.24 -2.13 115.95 116.49 3kly h TRP 113 Ca 0.03 0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.07 3kly h TRP 113 Cb 0.34 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.34 3kly h TRP 113 CO -0.18 0.15 0.58 1.15 -3.56 0.00 0.00 178.44 176.58 3kly h THR 114 N 0.41 1.05 -0.16 1.49 2.02 -0.75 0.21 112.91 117.19 3kly h THR 114 Ca 0.23 -0.34 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 3kly h THR 114 Cb 0.21 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3kly h THR 114 CO -0.21 0.18 -0.57 0.58 0.37 0.00 0.00 175.52 175.87 3kly h VAL 115 N 0.99 1.32 -0.37 3.16 2.07 -0.74 -2.05 116.25 120.63 3kly h VAL 115 Ca 0.38 -1.82 -0.12 0.00 0.82 0.00 0.00 66.70 65.97 3kly h VAL 115 Cb 0.22 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3kly h VAL 115 CO -0.14 0.56 -0.23 0.58 0.02 0.00 0.00 177.57 178.36 3kly h VAL 116 N 0.34 1.28 0.15 2.57 2.07 -0.98 0.06 116.25 121.74 3kly h VAL 116 Ca -0.03 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3kly h VAL 116 Cb 1.20 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3kly h VAL 116 CO 0.12 0.46 -0.07 0.22 0.02 0.00 0.00 177.57 178.31 3kly h TYR 117 N 0.61 -0.19 -0.73 1.57 3.20 -1.00 0.15 116.97 120.58 3kly h TYR 117 Ca 0.08 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.97 3kly h TYR 117 Cb 0.80 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 3kly h TYR 117 CO 0.06 -0.02 0.46 0.35 -1.64 0.00 0.00 178.16 177.37 3kly h PHE 118 N -0.32 0.86 -0.69 -3.82 3.57 -1.37 -0.55 116.94 114.62 3kly h PHE 118 Ca -0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3kly h PHE 118 Cb 0.26 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3kly h PHE 118 CO -0.03 0.49 0.30 0.78 -2.23 0.00 0.00 178.31 177.62 3kly h GLY 119 N 0.89 1.09 1.02 2.40 0.00 -0.82 -0.77 103.07 106.89 3kly h GLY 119 Ca 0.29 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3kly h GLY 119 CO -0.11 0.54 0.53 3.43 0.00 0.00 0.00 176.54 180.93 3kly h ASN 120 N 0.97 1.08 -0.29 0.19 2.35 -0.25 -2.05 115.58 117.58 3kly h ASN 120 Ca 0.23 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3kly h ASN 120 Cb 0.17 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3kly h ASN 120 CO -0.02 0.83 0.11 0.25 -1.65 0.00 0.00 177.43 176.95 3kly h LEU 121 N 1.23 0.40 -0.30 1.61 5.85 -0.68 -2.34 115.31 121.08 3kly h LEU 121 Ca 0.32 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kly h LEU 121 Cb -0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3kly h LEU 121 CO -0.06 0.47 0.17 0.00 -0.34 0.00 0.00 178.44 178.69 3kly h GLY 123 N 0.36 0.96 1.00 0.00 0.00 -1.37 -0.98 103.07 103.04 3kly h GLY 123 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3kly h GLY 123 CO -0.05 0.50 0.29 1.76 0.00 0.00 0.00 176.54 179.04 3kly h SER 124 N 0.87 0.51 -0.28 0.19 0.02 -1.03 -2.21 113.55 111.63 3kly h SER 124 Ca 0.20 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 3kly h SER 124 Cb 0.25 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kly h SER 124 CO -0.01 0.37 -0.43 0.40 -1.14 0.00 0.00 176.83 176.03 3kly h ILE 125 N 0.59 1.28 -0.54 3.27 1.08 -0.99 -1.95 117.51 120.26 3kly h ILE 125 Ca 0.16 -1.61 0.05 0.00 -0.39 0.00 0.00 64.86 63.07 3kly h ILE 125 Cb -0.06 1.48 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 3kly h ILE 125 CO -0.03 0.53 0.26 0.40 -0.69 0.00 0.00 178.15 178.62 3kly h ILE 126 N 0.68 0.93 -0.44 -0.67 2.04 -1.10 -2.06 117.51 116.88 3kly h ILE 126 Ca 0.05 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3kly h ILE 126 Cb 1.01 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3kly h ILE 126 CO 0.10 0.09 0.02 0.25 0.00 0.00 0.00 178.15 178.61 3kly h LEU 127 N 0.50 0.67 -0.06 1.44 5.85 -1.17 -2.26 115.31 120.27 3kly h LEU 127 Ca 0.24 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3kly h LEU 127 Cb 0.17 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3kly h LEU 127 CO -0.18 0.72 -0.04 0.58 -0.34 0.00 0.00 178.44 179.18 3kly h VAL 128 N 0.67 0.87 -0.65 1.05 2.07 -0.83 0.79 116.25 120.22 3kly h VAL 128 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3kly h VAL 128 Cb 0.38 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3kly h VAL 128 CO 0.01 0.00 0.35 -0.26 0.02 0.00 0.00 177.57 177.70 3kly h PHE 129 N -0.04 0.90 -0.56 1.57 0.04 -1.18 -0.12 116.94 117.55 3kly h PHE 129 Ca 0.04 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 3kly h PHE 129 Cb 0.10 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 3kly h PHE 129 CO -0.14 0.65 0.07 0.82 -0.60 0.00 0.00 178.31 179.11 3kly h ILE 130 N 0.89 1.26 -0.38 -0.55 2.04 -1.18 -2.55 117.51 117.04 3kly h ILE 130 Ca 0.23 -1.00 -0.11 0.00 1.00 0.00 0.00 64.86 64.98 3kly h ILE 130 Cb 0.05 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3kly h ILE 130 CO -0.04 0.36 -0.22 0.24 0.00 0.00 0.00 178.15 178.50 3kly h MET 131 N 0.83 0.75 -0.93 2.37 2.86 -0.50 -2.27 114.93 118.05 3kly h MET 131 Ca 0.17 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3kly h MET 131 Cb 0.44 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 3kly h MET 131 CO 0.01 0.90 0.61 -0.07 1.06 0.00 0.00 176.91 179.42 3kly h LEU 132 N 0.66 1.05 -1.53 1.22 3.38 -0.97 -2.49 115.31 116.63 3kly h LEU 132 Ca 0.09 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3kly h LEU 132 Cb 0.72 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3kly h LEU 132 CO 0.05 0.75 -0.24 0.00 0.09 0.00 0.00 178.44 179.10 3kly h ALA 133 N 1.35 1.37 0.00 1.53 0.00 -0.99 -1.48 119.26 121.04 3kly h ALA 133 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kly h ALA 133 Cb -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kly h ALA 133 CO -0.08 0.30 0.00 1.79 0.00 0.00 0.00 179.25 181.26 3kly h THR 134 N 0.00 0.00 -2.34 0.00 1.35 -0.96 -3.46 112.91 107.49 3kly h THR 134 Ca -0.00 -0.39 -0.33 0.00 -0.55 0.00 0.00 66.41 65.13 3kly h THR 134 Cb 0.50 1.33 -0.07 0.00 -1.73 0.00 0.00 68.15 68.18 3kly h THR 134 CO 0.03 0.00 -0.36 0.54 -0.25 0.00 0.00 175.52 175.48 3kly n ARG 135 N -2.90 -1.67 -0.23 4.72 1.74 -0.56 -4.86 116.66 112.91 3kly n ARG 135 Ca 0.01 0.88 0.19 0.00 -0.77 0.00 0.00 57.85 58.16 3kly n ARG 135 Cb 0.26 -5.35 0.52 0.00 -1.02 0.00 0.00 32.46 26.86 3kly n ARG 135 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3kly h GLN 136 N 0.00 0.39 0.00 5.56 4.15 -1.83 -1.39 115.11 121.98 3kly h GLN 136 Ca -0.36 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.03 3kly h GLN 136 Cb 1.18 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3kly h GLN 136 CO 0.48 0.26 0.34 0.27 -1.93 0.00 0.00 178.83 178.25 3kly h PHE 137 N 0.40 0.00 0.00 3.99 -5.15 -1.89 0.12 116.94 114.41 3kly h PHE 137 Ca 0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.23 3kly h PHE 137 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.32 3kly h PHE 137 CO -0.00 0.00 0.00 -1.33 -2.00 0.00 0.00 178.31 174.98 3kly n MET 138 N -2.86 0.08 -1.52 6.09 2.81 -0.52 -1.04 117.12 120.16 3kly n MET 138 Ca -0.02 0.09 -0.34 0.00 -1.81 0.00 0.00 57.70 55.62 3kly n MET 138 Cb 0.39 -1.60 0.08 0.00 -0.71 0.00 0.00 33.22 31.38 3kly n MET 138 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3kly s GLU 139 N -3.04 2.29 -1.26 0.03 0.41 0.42 -1.05 118.70 116.50 3kly s GLU 139 Ca 0.12 1.71 -0.01 0.00 -0.41 0.00 0.00 54.97 56.38 3kly s GLU 139 Cb 0.16 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.66 3kly s GLU 139 CO 0.53 -1.71 0.90 -3.47 -0.49 0.00 0.00 175.26 171.02 3kly n ASP 140 N -2.60 -2.04 -2.55 -0.19 2.03 -1.26 -1.63 116.55 108.30 3kly n ASP 140 Ca 0.13 -0.69 -0.21 0.00 0.52 0.00 0.00 54.79 54.54 3kly n ASP 140 Cb 0.50 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 36.21 3kly n ASP 140 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kly n GLY 141 N -1.36 -0.51 2.40 0.27 0.00 -1.24 -1.66 105.19 103.10 3kly n GLY 141 Ca -0.27 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3kly n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kly n GLY 142 N -1.12 1.66 0.24 -0.02 0.00 -0.21 -4.37 105.19 101.37 3kly n GLY 142 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3kly n GLY 142 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kly h GLN 143 N 2.89 0.00 -0.24 1.61 1.08 -1.02 -1.70 115.11 117.74 3kly h GLN 143 Ca 0.00 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3kly h GLN 143 Cb 0.00 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3kly h GLN 143 CO 0.00 0.08 0.13 1.25 -0.95 0.00 0.00 178.83 179.34 3kly h LEU 144 N 0.00 0.31 -0.88 1.46 6.46 -1.56 0.35 115.31 121.45 3kly h LEU 144 Ca 0.00 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 3kly h LEU 144 Cb 0.14 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 3kly h LEU 144 CO 0.01 0.32 0.38 1.23 -0.62 0.00 0.00 178.44 179.76 3kly h GLY 145 N 0.27 1.27 1.28 3.75 0.00 -0.52 -0.99 103.07 108.13 3kly h GLY 145 Ca 0.08 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3kly h GLY 145 CO -0.01 0.61 0.31 1.41 0.00 0.00 0.00 176.54 178.86 3kly h LEU 146 N 1.17 0.84 -0.15 3.11 3.38 -1.14 -1.76 115.31 120.76 3kly h LEU 146 Ca 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3kly h LEU 146 Cb 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kly h LEU 146 CO -0.03 0.71 0.04 -1.13 0.09 0.00 0.00 178.44 178.12 3kly h ASN 147 N 0.93 0.22 -0.75 -0.43 -1.24 -0.35 -1.25 115.58 112.71 3kly h ASN 147 Ca 0.23 -0.22 0.06 0.00 0.71 0.00 0.00 56.30 57.08 3kly h ASN 147 Cb 0.10 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.03 3kly h ASN 147 CO -0.03 0.38 0.44 0.00 -1.29 0.00 0.00 177.43 176.93 3kly h ALA 148 N 0.85 1.02 -0.44 1.57 0.00 -0.94 0.39 119.26 121.71 3kly h ALA 148 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3kly h ALA 148 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kly h ALA 148 CO -0.00 0.14 -0.12 0.52 0.00 0.00 0.00 179.25 179.79 3kly h MET 149 N 0.80 0.86 -0.57 0.00 2.86 -1.28 -2.46 114.93 115.14 3kly h MET 149 Ca 0.33 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3kly h MET 149 Cb 0.19 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3kly h MET 149 CO -0.18 0.97 0.02 0.00 1.06 0.00 0.00 176.91 178.77 3kly h ALA 150 N 0.86 0.76 -0.54 6.32 0.00 -0.75 0.63 119.26 126.54 3kly h ALA 150 Ca 0.11 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3kly h ALA 150 Cb 0.66 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3kly h ALA 150 CO 0.05 0.58 0.19 0.82 0.00 0.00 0.00 179.25 180.88 3kly h ILE 151 N 0.87 0.80 -0.00 0.00 2.04 -0.90 -2.25 117.51 118.08 3kly h ILE 151 Ca 0.16 -0.13 -0.22 0.00 1.00 0.00 0.00 64.86 65.67 3kly h ILE 151 Cb 0.52 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3kly h ILE 151 CO 0.03 0.07 -0.93 0.28 0.00 0.00 0.00 178.15 177.59 3kly h SER 152 N 0.37 0.51 -0.94 1.72 0.02 -1.05 -3.06 113.55 111.12 3kly h SER 152 Ca 0.27 -0.41 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3kly h SER 152 Cb 0.31 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 3kly h SER 152 CO -0.27 1.20 0.62 1.56 -1.14 0.00 0.00 176.83 178.80 3kly h GLN 153 N 0.22 1.15 -0.03 3.45 4.20 -0.75 -2.05 115.11 121.30 3kly h GLN 153 Ca -0.07 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 3kly h GLN 153 Cb 1.56 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 3kly h GLN 153 CO 0.16 0.76 -0.27 1.25 -0.67 0.00 0.00 178.83 180.06 3kly h HIS 154 N 1.18 0.06 0.00 2.96 2.76 -1.31 -1.08 115.15 119.72 3kly h HIS 154 Ca 0.38 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 3kly h HIS 154 Cb 0.02 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3kly h HIS 154 CO -0.00 0.32 0.00 1.63 -1.30 0.00 0.00 177.93 178.58 3kly n LYS 155 N -4.20 0.01 -0.11 5.26 5.02 -0.78 -3.44 118.16 119.91 3kly n LYS 155 Ca -0.02 0.18 0.10 0.00 -2.02 0.00 0.00 58.31 56.55 3kly n LYS 155 Cb 0.33 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.00 3kly n LYS 155 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kly n LEU 156 N -1.49 3.08 -0.57 -0.35 4.77 -0.41 -4.47 117.00 117.55 3kly n LEU 156 Ca 0.05 -1.34 0.06 0.00 -0.03 0.00 0.00 56.01 54.75 3kly n LEU 156 Cb 0.21 -0.15 0.14 0.00 -2.33 0.00 0.00 43.42 41.30 3kly n LEU 156 CO 0.17 0.63 0.37 1.41 -1.33 0.00 0.00 177.39 178.63 3kly n HIS 157 N 1.25 0.00 -2.66 -1.77 8.25 -1.22 -4.89 115.22 114.18 3kly n HIS 157 Ca 0.15 -1.07 -0.33 0.00 -0.26 0.00 0.00 57.72 56.21 3kly n HIS 157 Cb 0.54 -0.19 -0.05 0.00 1.12 0.00 0.00 29.99 31.41 3kly n HIS 157 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kly s HIS 158 N -2.37 3.28 0.93 4.41 3.76 -1.26 -5.08 115.29 118.96 3kly s HIS 158 Ca 0.32 1.57 -0.12 0.00 -0.15 0.00 0.00 55.06 56.69 3kly s HIS 158 Cb 0.31 -2.88 0.15 0.00 1.11 0.00 0.00 32.58 31.27 3kly s HIS 158 CO -0.05 -0.32 1.09 0.95 -0.85 0.00 0.00 174.74 175.56 3kly s THR 159 N -2.25 2.52 0.13 1.30 -4.23 -1.26 -4.82 115.64 107.03 3kly s THR 159 Ca 0.62 0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 61.12 3kly s THR 159 Cb -0.11 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 3kly s THR 159 CO 0.19 -0.22 1.73 0.15 -0.54 0.00 0.00 174.62 175.93 3kly h PHE 160 N -1.68 0.40 -0.27 3.99 3.04 -1.97 -0.72 116.94 119.73 3kly h PHE 160 Ca -0.51 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.44 3kly h PHE 160 Cb 1.29 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 3kly h PHE 160 CO 0.40 0.32 0.18 1.25 -2.02 0.00 0.00 178.31 178.44 3kly h LEU 161 N 0.37 0.31 -0.20 0.59 5.85 -1.99 -0.43 115.31 119.80 3kly h LEU 161 Ca 0.11 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3kly h LEU 161 Cb 0.05 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3kly h LEU 161 CO -0.02 0.23 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.55 3kly h GLN 162 N 0.37 -0.14 -0.80 1.25 4.15 -1.87 0.10 115.11 118.16 3kly h GLN 162 Ca 0.10 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3kly h GLN 162 Cb -0.04 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3kly h GLN 162 CO -0.02 -0.10 0.48 0.00 -1.93 0.00 0.00 178.83 177.27 3kly h ALA 163 N 0.98 1.03 -0.07 3.38 0.00 -0.85 -0.74 119.26 122.99 3kly h ALA 163 Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kly h ALA 163 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kly h ALA 163 CO -0.30 0.49 -0.01 0.35 0.00 0.00 0.00 179.25 179.78 3kly h PHE 164 N 1.10 -0.03 -0.84 0.00 3.57 -0.47 -1.23 116.94 119.05 3kly h PHE 164 Ca 0.29 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 3kly h PHE 164 Cb -0.04 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3kly h PHE 164 CO -0.01 -0.02 0.43 0.00 -2.23 0.00 0.00 178.31 176.48 3kly h ALA 165 N 1.07 1.17 -0.32 2.41 0.00 -0.50 0.51 119.26 123.60 3kly h ALA 165 Ca 0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kly h ALA 165 Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kly h ALA 165 CO -0.07 0.65 -0.03 -0.07 0.00 0.00 0.00 179.25 179.73 3kly h LEU 166 N 1.19 0.47 -0.24 0.00 3.38 -0.95 -1.29 115.31 117.86 3kly h LEU 166 Ca 0.29 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 3kly h LEU 166 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kly h LEU 166 CO -0.04 0.56 -0.66 1.23 0.09 0.00 0.00 178.44 179.62 3kly h GLY 167 N 0.84 0.91 0.87 0.83 0.00 -0.46 -1.65 103.07 104.41 3kly h GLY 167 Ca 0.10 -1.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.26 3kly h GLY 167 CO 0.01 1.04 -0.16 -2.00 0.00 0.00 0.00 176.54 175.44 3kly h LEU 168 N 0.61 -0.40 -1.18 3.11 5.85 -0.65 -2.41 115.31 120.23 3kly h LEU 168 Ca -0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3kly h LEU 168 Cb 1.27 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 3kly h LEU 168 CO 0.14 -0.24 0.40 0.24 -0.34 0.00 0.00 178.44 178.63 3kly h MET 169 N -0.37 0.96 0.04 1.25 2.86 -1.28 -2.27 114.93 116.13 3kly h MET 169 Ca -0.01 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3kly h MET 169 Cb 0.33 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3kly h MET 169 CO -0.01 0.70 -0.20 0.00 1.06 0.00 0.00 176.91 178.47 3kly h ASN 171 N -0.34 0.00 -0.26 0.00 -1.24 -1.21 -1.42 115.58 111.11 3kly h ASN 171 Ca 0.04 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 3kly h ASN 171 Cb 0.39 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 3kly h ASN 171 CO -0.15 0.21 0.16 0.40 -1.29 0.00 0.00 177.43 176.76 3kly h ILE 172 N 0.00 1.10 -0.56 2.57 2.04 -1.31 -0.37 117.51 120.98 3kly h ILE 172 Ca -0.00 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3kly h ILE 172 Cb 0.93 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3kly h ILE 172 CO 0.03 0.09 0.15 -0.07 0.00 0.00 0.00 178.15 178.35 3kly h LEU 173 N 0.33 0.83 -0.32 1.44 -0.00 -1.04 -2.02 115.31 114.53 3kly h LEU 173 Ca 0.09 -0.22 -0.17 0.00 -0.00 0.00 0.00 57.88 57.58 3kly h LEU 173 Cb 0.02 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.45 3kly h LEU 173 CO -0.02 0.84 -0.47 0.58 -0.00 0.00 0.00 178.44 179.37 3kly h VAL 174 N 0.79 1.27 -0.37 1.22 2.07 -1.21 -0.85 116.25 119.16 3kly h VAL 174 Ca 0.18 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 3kly h VAL 174 Cb 0.32 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3kly h VAL 174 CO -0.00 0.54 0.06 0.00 0.02 0.00 0.00 177.57 178.19 3kly h LEU 176 N 0.46 0.05 0.41 0.00 3.38 -1.33 0.15 115.31 118.44 3kly h LEU 176 Ca 0.11 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3kly h LEU 176 Cb 0.36 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kly h LEU 176 CO 0.01 0.05 -0.20 0.00 0.09 0.00 0.00 178.44 178.39 3kly h ALA 177 N 1.38 -0.55 -0.25 1.53 0.00 -0.82 -1.95 119.26 118.61 3kly h ALA 177 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kly h ALA 177 Cb 0.33 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kly h ALA 177 CO -0.31 -0.79 0.16 0.28 0.00 0.00 0.00 179.25 178.60 3kly h VAL 178 N -0.60 1.06 -0.60 0.00 2.07 -0.98 -2.65 116.25 114.55 3kly h VAL 178 Ca -0.06 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.46 3kly h VAL 178 Cb 0.45 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 30.80 3kly h VAL 178 CO 0.09 0.06 -0.19 -0.25 0.02 0.00 0.00 177.57 177.30 3kly h TRP 179 N 0.34 -0.46 -0.56 1.57 2.91 -0.67 -0.13 115.95 118.96 3kly h TRP 179 Ca 0.09 0.06 0.13 0.00 1.13 0.00 0.00 58.89 60.30 3kly h TRP 179 Cb -0.04 0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 3kly h TRP 179 CO -0.06 -0.30 0.39 0.52 -1.03 0.00 0.00 178.44 177.96 3kly h MET 180 N -0.04 0.17 0.00 2.65 2.86 -0.99 0.13 114.93 119.71 3kly h MET 180 Ca 0.28 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3kly h MET 180 Cb 0.48 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3kly h MET 180 CO -0.64 0.11 0.00 0.25 1.06 0.00 0.00 176.91 177.69 3kly n THR 181 N -4.43 0.75 0.25 2.22 -2.24 -0.07 -2.76 114.28 108.00 3kly n THR 181 Ca 0.10 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 3kly n THR 181 Cb 0.50 -0.97 0.65 0.00 -2.10 0.00 0.00 70.33 68.41 3kly n THR 181 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3kly h PHE 182 N 0.00 0.00 -0.44 4.78 0.04 -0.92 -1.81 116.94 118.58 3kly h PHE 182 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kly h PHE 182 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3kly h PHE 182 CO 0.00 0.16 0.00 -1.13 -0.60 0.00 0.00 178.31 176.74 3kly n SER 183 N -3.70 2.76 -4.78 2.17 3.41 -1.11 -4.97 113.62 107.40 3kly n SER 183 Ca -0.02 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.28 3kly n SER 183 Cb 0.27 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 3kly n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kly s ALA 184 N -1.41 2.90 -0.07 7.33 0.00 -0.68 -4.97 121.76 124.85 3kly s ALA 184 Ca 0.36 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.17 3kly s ALA 184 Cb 0.19 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3kly s ALA 184 CO 0.26 -0.61 0.69 0.54 0.00 0.00 0.00 175.76 176.64 3kly n ARG 185 N -0.70 0.39 -3.86 0.00 1.74 -1.26 -5.05 116.66 107.92 3kly n ARG 185 Ca 0.08 -0.87 -0.07 0.00 -0.77 0.00 0.00 57.85 56.22 3kly n ARG 185 Cb 0.49 -1.01 -0.02 0.00 -1.02 0.00 0.00 32.46 30.90 3kly n ARG 185 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kly s SER 186 N -0.37 -0.24 0.25 0.55 1.04 -1.26 -5.02 113.70 108.65 3kly s SER 186 Ca 0.01 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.82 3kly s SER 186 Cb 0.01 0.73 0.31 0.00 0.10 0.00 0.00 66.02 67.17 3kly s SER 186 CO 0.01 -1.37 1.62 -0.07 0.98 0.00 0.00 173.24 174.41 3kly h LEU 187 N 2.00 0.41 -0.55 2.42 3.38 -2.00 -2.97 115.31 118.00 3kly h LEU 187 Ca -0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3kly h LEU 187 Cb 1.25 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3kly h LEU 187 CO 0.24 0.81 0.29 0.74 0.09 0.00 0.00 178.44 180.60 3kly h THR 188 N 0.31 1.19 -0.85 0.22 2.02 -1.99 0.43 112.91 114.24 3kly h THR 188 Ca 0.02 -0.52 0.18 0.00 0.77 0.00 0.00 66.41 66.86 3kly h THR 188 Cb 0.92 0.52 -0.11 0.00 -1.74 0.00 0.00 68.15 67.74 3kly h THR 188 CO 0.08 0.21 0.39 0.44 0.37 0.00 0.00 175.52 177.01 3kly h ASP 189 N 0.74 0.38 -0.08 4.18 5.19 -1.93 0.03 116.42 124.93 3kly h ASP 189 Ca 0.19 0.12 -0.15 0.00 -0.62 0.00 0.00 57.03 56.58 3kly h ASP 189 Cb 0.08 0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.69 3kly h ASP 189 CO -0.03 0.09 -0.52 0.11 -3.12 0.00 0.00 179.24 175.77 3kly h LYS 190 N 0.48 0.49 -0.53 3.56 1.57 -1.07 -2.82 116.57 118.26 3kly h LYS 190 Ca 0.50 -0.42 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3kly h LYS 190 Cb 0.84 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 3kly h LYS 190 CO -0.45 1.06 0.29 0.28 -0.57 0.00 0.00 179.45 180.06 3kly h VAL 191 N 0.07 1.00 0.00 0.50 2.07 -0.56 -2.41 116.25 116.92 3kly h VAL 191 Ca -0.04 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3kly h VAL 191 Cb 1.18 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3kly h VAL 191 CO 0.11 0.10 -0.26 0.24 0.02 0.00 0.00 177.57 177.78 3kly h MET 192 N 0.57 0.00 0.00 1.57 2.86 -0.99 -2.19 114.93 116.75 3kly h MET 192 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3kly h MET 192 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3kly h MET 192 CO -0.13 0.26 -1.19 1.33 1.06 0.00 0.00 176.91 178.24 3kly n VAL 193 N -3.61 0.35 0.06 -2.22 0.24 -1.07 -4.33 118.33 107.75 3kly n VAL 193 Ca -0.01 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.34 61.73 3kly n VAL 193 Cb 0.39 -0.10 -0.13 0.00 -1.47 0.00 0.00 33.84 32.52 3kly n VAL 193 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kly h LEU 194 N 0.00 0.24 0.40 1.34 3.38 -1.03 -3.40 115.31 116.25 3kly h LEU 194 Ca 0.00 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3kly h LEU 194 Cb 0.91 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3kly h LEU 194 CO 0.00 1.25 -0.41 0.40 0.09 0.00 0.00 178.44 179.76 3kly h ILE 195 N 0.04 0.17 -0.39 1.22 2.04 -1.60 -2.89 117.51 116.10 3kly h ILE 195 Ca -0.15 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3kly h ILE 195 Cb 1.93 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3kly h ILE 195 CO 0.15 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 178.14 3kly h LEU 196 N -0.84 0.75 -1.23 1.44 3.38 -1.84 -1.03 115.31 115.94 3kly h LEU 196 Ca -0.04 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3kly h LEU 196 Cb 0.75 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3kly h LEU 196 CO -0.07 0.94 0.21 -0.65 0.09 0.00 0.00 178.44 178.96 3kly h PRO 197 N 0.56 0.74 -0.11 1.13 0.11 -1.77 -0.22 132.00 132.45 3kly h PRO 197 Ca 0.10 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3kly h PRO 197 Cb 0.61 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3kly h PRO 197 CO 0.04 0.61 -0.11 0.28 -0.21 0.00 0.00 178.00 178.61 3kly h VAL 198 N 0.74 1.36 -0.53 3.15 2.07 -1.36 -2.16 116.25 119.52 3kly h VAL 198 Ca 0.18 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.46 3kly h VAL 198 Cb 0.14 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3kly h VAL 198 CO -0.02 0.36 0.35 0.00 0.02 0.00 0.00 177.57 178.29 3kly h ALA 199 N 0.58 1.76 -0.19 1.67 0.00 -1.01 -1.94 119.26 120.12 3kly h ALA 199 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kly h ALA 199 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kly h ALA 199 CO 0.03 0.18 -0.04 1.98 0.00 0.00 0.00 179.25 181.40 3kly h MET 200 N 0.59 0.37 -0.28 0.00 -1.53 -0.95 -0.85 114.93 112.28 3kly h MET 200 Ca 0.21 -0.14 -0.15 0.00 -3.44 0.00 0.00 59.70 56.19 3kly h MET 200 Cb 0.12 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.14 3kly h MET 200 CO -0.06 0.62 -0.43 0.27 0.14 0.00 0.00 176.91 177.45 3kly h PHE 201 N 0.09 0.83 0.00 1.39 -5.15 -0.94 -2.02 116.94 111.14 3kly h PHE 201 Ca 0.05 -0.26 -0.00 0.00 -0.20 0.00 0.00 57.97 57.56 3kly h PHE 201 Cb 0.48 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 36.47 3kly h PHE 201 CO 0.05 1.00 -0.00 0.28 -2.00 0.00 0.00 178.31 177.64 3kly h VAL 202 N 0.56 1.44 0.00 0.88 2.07 -1.41 -0.50 116.25 119.29 3kly h VAL 202 Ca 0.04 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 3kly h VAL 202 Cb 0.97 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 3kly h VAL 202 CO 0.09 0.34 -0.00 0.77 0.02 0.00 0.00 177.57 178.78 3kly h SER 203 N -0.56 0.00 0.99 0.57 4.64 -1.19 0.41 113.55 118.42 3kly h SER 203 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kly h SER 203 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3kly h SER 203 CO 0.00 0.00 -0.01 -1.20 -0.87 0.00 0.00 176.83 174.76 3kly n SER 204 N -4.29 0.01 -0.30 4.97 7.64 -0.76 -4.87 113.62 116.02 3kly n SER 204 Ca -0.03 0.49 -0.04 0.00 1.01 0.00 0.00 58.87 60.30 3kly n SER 204 Cb 0.09 -0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.78 3kly n SER 204 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kly n GLY 205 N 1.50 0.68 3.76 0.23 0.00 0.13 -5.02 105.19 106.47 3kly n GLY 205 Ca 0.07 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 3kly n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kly s PHE 206 N -2.13 2.50 -0.15 1.61 0.08 -0.23 -4.99 117.98 114.67 3kly s PHE 206 Ca 0.00 1.56 -0.03 0.00 0.12 0.00 0.00 56.93 58.58 3kly s PHE 206 Cb 0.00 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 3kly s PHE 206 CO 0.00 -1.88 -0.05 -1.21 -0.10 0.00 0.00 175.22 171.98 3kly s GLU 207 N -4.06 3.63 -0.22 0.44 0.41 -0.69 -4.74 118.70 113.46 3kly s GLU 207 Ca 0.68 -0.54 -0.03 0.00 -0.41 0.00 0.00 54.97 54.68 3kly s GLU 207 Cb -0.22 -2.88 -0.00 0.00 -1.78 0.00 0.00 34.13 29.25 3kly s GLU 207 CO 0.42 0.25 -0.07 -1.58 -0.49 0.00 0.00 175.26 173.80 3kly s HIS 208 N 0.33 2.94 0.26 1.61 5.65 -1.26 -4.20 115.29 120.61 3kly s HIS 208 Ca -0.05 -1.11 -0.05 0.00 0.25 0.00 0.00 55.06 54.10 3kly s HIS 208 Cb -0.14 -2.07 0.29 0.00 -1.18 0.00 0.00 32.58 29.48 3kly s HIS 208 CO 0.03 -0.61 1.93 0.00 -0.65 0.00 0.00 174.74 175.44 3kly h ILE 210 N 1.33 1.31 -0.75 0.00 1.08 -1.98 -2.48 117.51 116.01 3kly h ILE 210 Ca 0.37 -1.64 -0.00 0.00 -0.39 0.00 0.00 64.86 63.20 3kly h ILE 210 Cb -0.13 1.77 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 3kly h ILE 210 CO -0.09 0.52 0.46 0.00 -0.69 0.00 0.00 178.15 178.35 3kly h ALA 211 N 0.63 1.40 0.00 1.87 0.00 -1.81 -2.19 119.26 119.16 3kly h ALA 211 Ca 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3kly h ALA 211 Cb 1.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3kly h ALA 211 CO 0.10 0.53 -0.28 -0.91 0.00 0.00 0.00 179.25 178.68 3kly h ASN 212 N 1.03 0.00 0.14 0.00 2.35 -1.12 -1.84 115.58 116.14 3kly h ASN 212 Ca 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3kly h ASN 212 Cb -0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3kly h ASN 212 CO -0.05 0.28 -0.07 0.24 -1.65 0.00 0.00 177.43 176.18 3kly h MET 213 N 0.00 0.00 0.02 0.81 2.86 -0.92 -1.71 114.93 115.99 3kly h MET 213 Ca -0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.43 3kly h MET 213 Cb 0.69 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 3kly h MET 213 CO 0.04 0.07 -1.09 0.35 1.06 0.00 0.00 176.91 177.34 3kly h PHE 214 N 0.00 0.09 -0.34 -0.22 3.57 -1.46 -3.40 116.94 115.17 3kly h PHE 214 Ca -0.00 -0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.30 3kly h PHE 214 Cb 0.16 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3kly h PHE 214 CO 0.00 1.43 -0.33 0.37 -2.23 0.00 0.00 178.31 177.54 3kly h GLN 215 N -0.85 0.83 0.01 1.11 5.75 -1.06 -0.35 115.11 120.56 3kly h GLN 215 Ca -0.28 -0.43 -0.07 0.00 -0.15 0.00 0.00 58.65 57.72 3kly h GLN 215 Cb 1.35 0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.92 3kly h GLN 215 CO -0.12 1.07 -0.27 0.28 -2.65 0.00 0.00 178.83 177.14 3kly h VAL 216 N 0.61 1.58 -0.69 2.39 2.07 -1.59 -2.50 116.25 118.11 3kly h VAL 216 Ca 0.06 -2.05 0.07 0.00 0.82 0.00 0.00 66.70 65.60 3kly h VAL 216 Cb 0.92 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 33.53 3kly h VAL 216 CO 0.08 0.56 0.46 -0.65 0.02 0.00 0.00 177.57 178.04 3kly h PRO 217 N -0.55 0.65 -0.32 1.57 0.11 -1.72 -0.83 132.00 130.91 3kly h PRO 217 Ca -0.04 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.06 3kly h PRO 217 Cb 1.06 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 3kly h PRO 217 CO 0.05 0.43 0.15 1.98 -0.21 0.00 0.00 178.00 180.41 3kly h MET 218 N 0.67 0.31 -0.64 1.05 1.85 -0.99 0.29 114.93 117.48 3kly h MET 218 Ca 0.31 -0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.31 3kly h MET 218 Cb 0.32 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.26 3kly h MET 218 CO -0.10 0.21 0.12 0.00 -0.40 0.00 0.00 176.91 176.74 3kly h ALA 219 N 1.17 1.01 -0.67 0.39 0.00 -0.96 -0.32 119.26 119.87 3kly h ALA 219 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kly h ALA 219 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3kly h ALA 219 CO -0.10 0.64 0.40 0.82 0.00 0.00 0.00 179.25 181.00 3kly h ILE 220 N 0.97 1.20 -0.65 0.00 2.04 -0.85 -1.24 117.51 118.99 3kly h ILE 220 Ca 0.20 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3kly h ILE 220 Cb 0.39 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3kly h ILE 220 CO 0.01 0.21 0.33 1.23 0.00 0.00 0.00 178.15 179.92 3kly h GLY 221 N 0.92 0.98 1.00 5.37 0.00 -0.34 -2.54 103.07 108.46 3kly h GLY 221 Ca 0.24 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3kly h GLY 221 CO -0.04 0.45 0.40 -2.22 0.00 0.00 0.00 176.54 175.12 3kly h ILE 222 N 0.89 1.19 -0.82 2.60 2.04 -0.73 0.92 117.51 123.60 3kly h ILE 222 Ca 0.22 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.69 3kly h ILE 222 Cb 0.09 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 3kly h ILE 222 CO -0.03 0.20 0.52 0.50 0.00 0.00 0.00 178.15 179.34 3kly h LYS 223 N 0.90 0.99 0.00 2.37 3.64 -0.90 -0.98 116.57 122.59 3kly h LYS 223 Ca 0.24 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 3kly h LYS 223 Cb -0.02 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 3kly h LYS 223 CO -0.04 0.65 -1.42 0.66 -2.27 0.00 0.00 179.45 177.02 3kly n TYR 224 N -4.58 0.94 0.54 1.91 4.01 -0.99 -4.32 117.16 114.67 3kly n TYR 224 Ca 0.10 0.31 0.11 0.00 -0.16 0.00 0.00 57.90 58.26 3kly n TYR 224 Cb 0.10 -1.07 -0.08 0.00 -0.31 0.00 0.00 39.34 37.98 3kly n TYR 224 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kly n PHE 225 N -2.86 0.11 -1.68 -0.72 3.72 0.30 -4.94 117.46 111.39 3kly n PHE 225 Ca -0.10 0.03 -0.44 0.00 -0.05 0.00 0.00 57.45 56.90 3kly n PHE 225 Cb 0.82 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 3kly n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kly n ALA 226 N -1.85 1.17 -1.59 4.37 0.00 -0.38 -4.98 120.51 117.25 3kly n ALA 226 Ca 0.01 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 3kly n ALA 226 Cb 0.44 -2.26 0.10 0.00 0.00 0.00 0.00 19.45 17.73 3kly n ALA 226 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kly s PRO 227 N -0.99 1.93 0.53 0.00 0.05 -1.26 -4.93 135.00 130.34 3kly s PRO 227 Ca 0.63 0.52 0.19 0.00 0.05 0.00 0.00 61.00 62.40 3kly s PRO 227 Cb -0.62 -1.91 1.39 0.00 0.05 0.00 0.00 34.50 33.41 3kly s PRO 227 CO 0.55 -1.70 2.15 1.49 0.05 0.00 0.00 177.00 179.54 3kly h GLU 228 N -1.14 0.00 0.00 4.56 4.57 -2.01 -0.97 114.58 119.58 3kly h GLU 228 Ca -0.48 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 3kly h GLU 228 Cb 1.28 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3kly h GLU 228 CO 0.61 0.00 -0.12 0.66 -1.18 0.00 0.00 179.01 178.98 3kly h SER 229 N 0.00 0.00 -0.07 1.04 4.64 -1.99 -1.66 113.55 115.51 3kly h SER 229 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3kly h SER 229 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3kly h SER 229 CO -0.00 0.12 0.01 0.15 -0.87 0.00 0.00 176.83 176.23 3kly h PHE 230 N 0.00 0.13 -0.50 4.77 3.57 -1.53 -1.79 116.94 121.59 3kly h PHE 230 Ca -0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3kly h PHE 230 Cb 0.23 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3kly h PHE 230 CO 0.00 0.36 -0.03 -1.49 -2.23 0.00 0.00 178.31 174.92 3kly h TRP 231 N -0.14 0.92 -0.50 0.41 4.06 -1.53 -2.31 115.95 116.85 3kly h TRP 231 Ca 0.02 -0.15 -0.08 0.00 2.06 0.00 0.00 58.89 60.74 3kly h TRP 231 Cb 0.30 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 3kly h TRP 231 CO 0.02 0.85 -0.01 0.00 -3.56 0.00 0.00 178.44 175.75 3kly h ALA 232 N 1.18 0.68 0.00 1.49 0.00 -1.24 -1.01 119.26 120.36 3kly h ALA 232 Ca 0.14 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3kly h ALA 232 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kly h ALA 232 CO 0.03 0.50 -0.32 0.00 0.00 0.00 0.00 179.25 179.45 3kly h MET 233 N 0.76 0.00 0.00 0.00 -0.00 -1.23 -3.20 114.93 111.27 3kly h MET 233 Ca 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.80 3kly h MET 233 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.12 3kly h MET 233 CO 0.03 0.32 -1.03 1.79 -0.00 0.00 0.00 176.91 178.02 3kly h THR 234 N 0.00 0.14 -0.04 -0.10 1.35 -1.39 -3.48 112.91 109.39 3kly h THR 234 Ca -0.00 -1.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.56 3kly h THR 234 Cb 1.21 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3kly h THR 234 CO 0.04 0.08 -0.02 0.61 -0.25 0.00 0.00 175.52 175.99 3kly n GLY 235 N 1.23 0.39 3.99 5.82 0.00 -0.40 -5.02 105.19 111.20 3kly n GLY 235 Ca -0.02 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 3kly n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kly s ALA 236 N -1.70 3.98 0.09 4.61 0.00 -1.12 -5.03 121.76 122.58 3kly s ALA 236 Ca 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 3kly s ALA 236 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.17 3kly s ALA 236 CO 0.00 -0.93 0.21 0.54 0.00 0.00 0.00 175.76 175.58 3kly s ASN 237 N -4.54 0.08 0.48 0.00 2.20 -1.26 -4.62 114.94 107.28 3kly s ASN 237 Ca 0.60 -0.60 0.24 0.00 -0.94 0.00 0.00 52.86 52.16 3kly s ASN 237 Cb -0.08 0.35 1.24 0.00 -2.00 0.00 0.00 41.25 40.76 3kly s ASN 237 CO 0.40 -0.73 2.00 -0.29 -2.94 0.00 0.00 177.10 175.54 3kly h ILE 238 N 2.76 0.71 0.00 0.54 2.10 -1.99 -1.33 117.51 120.30 3kly h ILE 238 Ca -0.34 -0.73 -0.01 0.00 1.08 0.00 0.00 64.86 64.86 3kly h ILE 238 Cb 1.20 1.45 -0.00 0.00 -1.09 0.00 0.00 36.82 38.38 3kly h ILE 238 CO 0.55 0.17 -0.06 0.00 -1.08 0.00 0.00 178.15 177.73 3kly h ALA 239 N 1.83 1.08 0.00 0.18 0.00 -2.00 -1.07 119.26 119.28 3kly h ALA 239 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kly h ALA 239 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kly h ALA 239 CO 0.02 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.38 3kly n GLN 240 N -3.27 0.09 -0.67 0.00 6.02 -0.50 -3.14 117.38 115.92 3kly n GLN 240 Ca -0.01 0.20 0.06 0.00 -0.01 0.00 0.00 57.00 57.24 3kly n GLN 240 Cb 0.24 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.16 3kly n GLN 240 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3kly n TYR 241 N -1.41 0.00 0.08 1.08 4.01 -0.40 -4.79 117.16 115.72 3kly n TYR 241 Ca 0.05 -1.21 0.15 0.00 -0.16 0.00 0.00 57.90 56.73 3kly n TYR 241 Cb 0.16 -0.21 0.65 0.00 -0.31 0.00 0.00 39.34 39.62 3kly n TYR 241 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kly h ALA 242 N 0.82 2.26 0.00 -0.72 0.00 -1.61 -1.45 119.26 118.57 3kly h ALA 242 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kly h ALA 242 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kly h ALA 242 CO 0.02 -0.36 0.00 0.38 0.00 0.00 0.00 179.25 179.29 3kly h ASP 243 N 0.06 0.00 -2.66 0.00 2.03 -1.89 -3.41 116.42 110.55 3kly h ASP 243 Ca 0.17 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.80 3kly h ASP 243 Cb 0.60 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 38.93 3kly h ASP 243 CO -0.01 0.00 0.53 -0.22 -1.03 0.00 0.00 179.24 178.51 3kly s LEU 244 N -5.19 4.90 0.24 0.15 2.96 -0.55 -4.78 118.68 116.42 3kly s LEU 244 Ca 0.02 -1.49 -0.20 0.00 -0.22 0.00 0.00 54.13 52.24 3kly s LEU 244 Cb 0.09 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.43 3kly s LEU 244 CO 0.43 -1.22 0.63 0.54 -1.32 0.00 0.00 176.35 175.41 3kly s ASN 245 N 3.61 -0.29 0.21 3.68 2.20 -1.26 -4.88 114.94 118.22 3kly s ASN 245 Ca 0.23 -0.53 -0.06 0.00 -0.94 0.00 0.00 52.86 51.57 3kly s ASN 245 Cb -0.14 0.66 0.17 0.00 -2.00 0.00 0.00 41.25 39.94 3kly s ASN 245 CO 0.02 -1.21 1.66 -0.26 -2.94 0.00 0.00 177.10 174.38 3kly h PHE 246 N 2.07 0.98 0.08 1.54 0.04 -1.98 -2.09 116.94 117.59 3kly h PHE 246 Ca -0.24 -0.19 0.02 0.00 2.80 0.00 0.00 57.97 60.37 3kly h PHE 246 Cb 1.26 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 39.12 3kly h PHE 246 CO 0.38 0.94 -0.29 0.28 -0.60 0.00 0.00 178.31 179.01 3kly h VAL 247 N 0.80 0.37 -0.90 -0.55 2.07 -1.98 -1.31 116.25 114.75 3kly h VAL 247 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3kly h VAL 247 Cb 0.62 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3kly h VAL 247 CO 0.04 0.00 0.54 0.78 0.02 0.00 0.00 177.57 178.95 3kly h ASN 248 N -0.49 1.09 0.19 0.57 2.35 -1.84 -0.71 115.58 116.74 3kly h ASN 248 Ca 0.04 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3kly h ASN 248 Cb 0.53 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3kly h ASN 248 CO -0.19 0.84 -0.37 0.15 -1.65 0.00 0.00 177.43 176.20 3kly h PHE 249 N 1.25 -1.02 -0.19 1.19 3.57 -0.99 0.58 116.94 121.32 3kly h PHE 249 Ca 0.32 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 3kly h PHE 249 Cb -0.04 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3kly h PHE 249 CO 0.01 -0.49 -0.01 0.82 -2.23 0.00 0.00 178.31 176.41 3kly h ILE 250 N -0.65 1.26 0.05 1.41 2.04 -1.04 0.06 117.51 120.64 3kly h ILE 250 Ca 0.01 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3kly h ILE 250 Cb 0.65 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3kly h ILE 250 CO -0.17 0.27 -0.02 0.58 0.00 0.00 0.00 178.15 178.80 3kly h VAL 251 N 0.09 1.31 0.00 1.67 2.07 -1.15 -2.28 116.25 117.95 3kly h VAL 251 Ca 0.05 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3kly h VAL 251 Cb 0.41 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3kly h VAL 251 CO 0.01 0.33 -0.09 0.78 0.02 0.00 0.00 177.57 178.62 3kly h ASN 252 N -0.67 0.00 0.00 0.57 2.35 -0.98 -3.42 115.58 113.43 3kly h ASN 252 Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kly h ASN 252 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3kly h ASN 252 CO 0.01 0.00 0.00 -3.20 -1.65 0.00 0.00 177.43 172.59 3kly n ASN 253 N -2.96 0.19 -0.14 5.81 5.15 -0.40 -4.76 115.26 118.16 3kly n ASN 253 Ca 0.04 0.10 -0.04 0.00 -0.60 0.00 0.00 54.58 54.08 3kly n ASN 253 Cb 0.52 -0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.81 3kly n ASN 253 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3kly h LEU 254 N 0.00 -0.12 0.89 1.20 6.46 -1.01 0.12 115.31 122.86 3kly h LEU 254 Ca 0.00 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3kly h LEU 254 Cb 0.00 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.10 3kly h LEU 254 CO 0.00 -0.03 -0.43 0.40 -0.62 0.00 0.00 178.44 177.77 3kly h ILE 255 N 0.15 0.00 -0.81 4.05 2.04 -1.67 0.15 117.51 121.41 3kly h ILE 255 Ca 0.22 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3kly h ILE 255 Cb 0.31 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 3kly h ILE 255 CO -0.34 0.00 0.52 -0.65 0.00 0.00 0.00 178.15 177.68 3kly h PRO 256 N -1.29 1.08 -0.24 2.37 0.11 -1.79 -1.41 132.00 130.82 3kly h PRO 256 Ca -0.12 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 65.83 3kly h PRO 256 Cb 0.92 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3kly h PRO 256 CO 0.20 0.73 -0.15 0.28 -0.21 0.00 0.00 178.00 178.85 3kly h VAL 257 N 1.11 1.31 -0.63 3.15 2.07 -0.71 -1.34 116.25 121.20 3kly h VAL 257 Ca 0.30 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3kly h VAL 257 Cb -0.09 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3kly h VAL 257 CO -0.06 0.39 0.42 0.74 0.02 0.00 0.00 177.57 179.08 3kly h THR 258 N 0.25 1.16 -0.45 2.57 2.02 -0.53 0.97 112.91 118.90 3kly h THR 258 Ca 0.05 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.95 3kly h THR 258 Cb 0.68 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3kly h THR 258 CO 0.04 0.16 0.26 -0.07 0.37 0.00 0.00 175.52 176.28 3kly h LEU 259 N 0.86 0.40 -0.31 2.58 3.38 -1.19 -0.94 115.31 120.10 3kly h LEU 259 Ca 0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3kly h LEU 259 Cb -0.10 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3kly h LEU 259 CO -0.05 0.29 0.20 1.23 0.09 0.00 0.00 178.44 180.20 3kly h GLY 260 N 0.51 0.44 0.53 0.83 0.00 -0.78 -1.25 103.07 103.36 3kly h GLY 260 Ca 0.18 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.40 3kly h GLY 260 CO -0.10 0.17 0.07 3.43 0.00 0.00 0.00 176.54 180.11 3kly h ASN 261 N 0.42 -0.01 0.20 0.19 2.35 -0.56 0.12 115.58 118.28 3kly h ASN 261 Ca 0.11 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3kly h ASN 261 Cb -0.03 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3kly h ASN 261 CO -0.02 0.03 -0.17 0.40 -1.65 0.00 0.00 177.43 176.02 3kly h ILE 262 N 0.19 0.63 -0.60 2.81 2.04 -0.95 -0.99 117.51 120.64 3kly h ILE 262 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 3kly h ILE 262 Cb 0.21 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3kly h ILE 262 CO -0.24 0.00 0.40 0.58 0.00 0.00 0.00 178.15 178.89 3kly h VAL 263 N -0.38 1.11 -0.50 1.67 2.07 -0.96 0.29 116.25 119.55 3kly h VAL 263 Ca -0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3kly h VAL 263 Cb 0.35 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3kly h VAL 263 CO -0.03 0.14 0.02 1.23 0.02 0.00 0.00 177.57 178.95 3kly h GLY 264 N 0.76 0.89 1.84 2.17 0.00 -0.37 -0.55 103.07 107.82 3kly h GLY 264 Ca 0.23 -0.59 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 3kly h GLY 264 CO -0.06 0.55 -0.85 -1.33 0.00 0.00 0.00 176.54 174.84 3kly h GLY 265 N 0.98 0.16 0.96 4.60 0.00 -0.28 -2.86 103.07 106.64 3kly h GLY 265 Ca 0.15 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 3kly h GLY 265 CO 0.02 0.25 -0.34 -1.33 0.00 0.00 0.00 176.54 175.14 3kly h GLY 266 N 2.00 0.74 0.85 4.60 0.00 -0.73 -0.32 103.07 110.21 3kly h GLY 266 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.52 3kly h GLY 266 CO 0.13 0.72 0.38 -2.08 0.00 0.00 0.00 176.54 175.69 3kly h VAL 267 N 0.40 1.06 -0.02 4.60 2.07 -1.18 0.35 116.25 123.52 3kly h VAL 267 Ca 0.03 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3kly h VAL 267 Cb 0.92 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3kly h VAL 267 CO 0.08 0.14 0.01 0.15 0.02 0.00 0.00 177.57 177.97 3kly h PHE 268 N 0.75 0.03 -0.39 1.57 3.04 -1.38 -1.45 116.94 119.12 3kly h PHE 268 Ca 0.26 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.19 3kly h PHE 268 Cb 0.04 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 3kly h PHE 268 CO -0.05 0.15 0.17 0.28 -2.02 0.00 0.00 178.31 176.83 3kly h VAL 269 N -0.09 1.18 -0.94 1.41 2.07 -0.77 0.83 116.25 119.95 3kly h VAL 269 Ca 0.01 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3kly h VAL 269 Cb 0.13 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3kly h VAL 269 CO -0.00 0.20 0.59 1.23 0.02 0.00 0.00 177.57 179.60 3kly h GLY 270 N 0.48 1.35 0.95 2.17 0.00 -0.33 0.13 103.07 107.82 3kly h GLY 270 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3kly h GLY 270 CO -0.01 0.53 -0.04 1.98 0.00 0.00 0.00 176.54 178.99 3kly h MET 271 N 1.29 -0.11 -0.55 4.80 -1.53 -0.80 -1.42 114.93 116.61 3kly h MET 271 Ca 0.34 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.70 3kly h MET 271 Cb -0.09 0.03 -0.07 0.00 -0.55 0.00 0.00 31.60 30.91 3kly h MET 271 CO -0.07 -0.02 0.13 2.35 0.14 0.00 0.00 176.91 179.44 3kly h TRP 272 N -0.17 0.22 0.13 1.39 7.01 -0.36 -1.99 115.95 122.18 3kly h TRP 272 Ca -0.01 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 3kly h TRP 272 Cb 0.14 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3kly h TRP 272 CO -0.05 0.01 -0.06 -0.92 -2.79 0.00 0.00 178.44 174.62 3kly h TYR 273 N 0.28 -0.16 -0.61 2.65 3.20 -0.48 -2.11 116.97 119.74 3kly h TYR 273 Ca 0.28 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.26 3kly h TYR 273 Cb 0.38 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 3kly h TYR 273 CO -0.22 -0.07 0.16 -1.49 -1.64 0.00 0.00 178.16 174.90 3kly h TRP 274 N -0.20 0.26 -0.02 -3.82 4.06 -1.01 -0.59 115.95 114.63 3kly h TRP 274 Ca -0.02 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.98 3kly h TRP 274 Cb 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 3kly h TRP 274 CO -0.06 0.00 -0.07 -0.07 -3.56 0.00 0.00 178.44 174.69 3kly h LEU 275 N 0.30 -0.19 -1.63 -4.49 3.38 -1.00 -1.42 115.31 110.25 3kly h LEU 275 Ca 0.32 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 3kly h LEU 275 Cb 0.45 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3kly h LEU 275 CO -0.38 -0.10 -0.14 0.16 0.09 0.00 0.00 178.44 178.07 3kly h ILE 276 N -0.11 0.48 -0.36 1.22 -0.00 -1.03 -2.57 117.51 115.14 3kly h ILE 276 Ca 0.03 -0.72 -0.13 0.00 -0.00 0.00 0.00 64.86 64.04 3kly h ILE 276 Cb 0.15 1.50 -0.01 0.00 -0.00 0.00 0.00 36.82 38.46 3kly h ILE 276 CO -0.08 0.14 -0.28 0.22 -0.00 0.00 0.00 178.15 178.15 3kly h TYR 277 N 0.00 0.97 0.00 0.16 3.20 -0.33 -2.82 116.97 118.15 3kly h TYR 277 Ca -0.00 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.60 3kly h TYR 277 Cb 0.49 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3kly h TYR 277 CO 0.00 1.05 0.00 1.28 -1.64 0.00 0.00 178.16 178.85 3kly n LEU 278 N -4.20 0.23 0.00 2.82 4.77 -0.61 -5.10 117.00 114.91 3kly n LEU 278 Ca -0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3kly n LEU 278 Cb 0.47 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3kly n LEU 278 CO 0.46 0.06 0.00 1.17 -1.33 0.00 0.00 177.39 177.75