#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kly n LYS 28 N 0.00 0.04 0.01 1.64 5.02 -1.26 -2.25 118.16 121.36 3kly n LYS 28 Ca 0.00 0.49 -0.19 0.00 -2.02 0.00 0.00 58.31 56.58 3kly n LYS 28 Cb 0.00 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.25 3kly n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kly h ALA 29 N 2.09 -0.00 -0.34 7.82 0.00 -2.05 -2.78 119.26 124.00 3kly h ALA 29 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3kly h ALA 29 Cb 0.06 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kly h ALA 29 CO 0.00 0.43 0.22 0.00 0.00 0.00 0.00 179.25 179.90 3kly h ALA 30 N 0.01 0.43 -0.53 0.00 0.00 -1.88 0.04 119.26 117.33 3kly h ALA 30 Ca -0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kly h ALA 30 Cb 1.55 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 3kly h ALA 30 CO 0.09 -0.12 0.33 1.88 0.00 0.00 0.00 179.25 181.43 3kly h TYR 31 N 0.45 0.68 -0.85 0.00 0.05 -1.66 0.36 116.97 116.00 3kly h TYR 31 Ca 0.12 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.95 3kly h TYR 31 Cb -0.05 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.41 3kly h TYR 31 CO -0.06 0.46 0.54 -0.22 -1.05 0.00 0.00 178.16 177.84 3kly h LYS 32 N 0.71 1.01 -0.28 4.88 3.64 -1.25 -0.46 116.57 124.81 3kly h LYS 32 Ca 0.19 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3kly h LYS 32 Cb -0.04 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 3kly h LYS 32 CO -0.04 0.67 -0.19 1.03 -2.27 0.00 0.00 179.45 178.65 3kly h SER 33 N 1.04 0.51 -0.45 4.20 0.87 0.09 -1.61 113.55 118.20 3kly h SER 33 Ca 0.35 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 3kly h SER 33 Cb 0.06 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3kly h SER 33 CO -0.13 0.72 -0.10 0.15 -0.53 0.00 0.00 176.83 176.93 3kly h PHE 34 N 0.46 0.96 -0.43 2.24 3.57 0.59 -1.87 116.94 122.47 3kly h PHE 34 Ca 0.08 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 3kly h PHE 34 Cb 0.60 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3kly h PHE 34 CO 0.02 0.96 0.07 -0.07 -2.23 0.00 0.00 178.31 177.06 3kly h LEU 35 N 0.70 0.68 -1.46 0.59 3.38 -0.86 -1.59 115.31 116.74 3kly h LEU 35 Ca 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kly h LEU 35 Cb 0.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kly h LEU 35 CO 0.04 0.76 0.00 -0.07 0.09 0.00 0.00 178.44 179.27 3kly h LEU 36 N 0.56 0.00 0.22 1.67 3.38 -1.24 -1.39 115.31 118.52 3kly h LEU 36 Ca 0.13 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.76 3kly h LEU 36 Cb 0.37 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.15 3kly h LEU 36 CO 0.01 0.00 -1.54 0.00 0.09 0.00 0.00 178.44 177.00 3kly h ALA 37 N 2.00 -0.04 -0.81 1.53 0.00 -1.03 -0.80 119.26 120.11 3kly h ALA 37 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 53.96 3kly h ALA 37 Cb 0.51 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3kly h ALA 37 CO 0.00 0.83 0.51 0.82 0.00 0.00 0.00 179.25 181.41 3kly h ILE 38 N 0.13 1.22 -0.04 0.00 2.04 -1.02 -2.22 117.51 117.63 3kly h ILE 38 Ca -0.27 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3kly h ILE 38 Cb 2.13 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3kly h ILE 38 CO 0.24 0.23 -0.02 -1.28 0.00 0.00 0.00 178.15 177.31 3kly h SER 39 N 1.11 -0.08 -0.47 1.72 0.87 -1.30 -2.16 113.55 113.25 3kly h SER 39 Ca 0.29 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 3kly h SER 39 Cb -0.07 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3kly h SER 39 CO -0.06 -0.04 0.23 0.00 -0.53 0.00 0.00 176.83 176.43 3kly h ALA 40 N 1.01 1.45 -0.56 6.23 0.00 -1.32 -1.34 119.26 124.72 3kly h ALA 40 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kly h ALA 40 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kly h ALA 40 CO -0.05 0.43 0.25 0.78 0.00 0.00 0.00 179.25 180.66 3kly h GLY 41 N 0.84 0.88 1.03 0.00 0.00 -1.10 -0.32 103.07 104.40 3kly h GLY 41 Ca 0.18 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3kly h GLY 41 CO -0.02 0.43 0.18 -2.22 0.00 0.00 0.00 176.54 174.90 3kly h ILE 42 N 0.76 1.25 -0.17 2.60 2.04 -0.87 -1.25 117.51 121.88 3kly h ILE 42 Ca 0.19 -0.91 -0.19 0.00 1.00 0.00 0.00 64.86 64.96 3kly h ILE 42 Cb 0.15 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3kly h ILE 42 CO -0.02 0.34 -0.66 1.56 0.00 0.00 0.00 178.15 179.38 3kly h GLN 43 N 0.95 0.63 -0.24 2.37 4.20 -0.94 0.64 115.11 122.72 3kly h GLN 43 Ca 0.21 -0.46 -0.14 0.00 0.06 0.00 0.00 58.65 58.31 3kly h GLN 43 Cb 0.34 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3kly h GLN 43 CO -0.00 1.08 -0.44 0.82 -0.67 0.00 0.00 178.83 179.61 3kly h ILE 44 N 0.46 1.30 -0.58 2.54 1.08 -1.05 -2.90 117.51 118.37 3kly h ILE 44 Ca -0.02 -1.63 -0.02 0.00 -0.39 0.00 0.00 64.86 62.80 3kly h ILE 44 Cb 1.24 1.59 -0.03 0.00 -3.07 0.00 0.00 36.82 36.56 3kly h ILE 44 CO 0.13 0.52 0.27 1.23 -0.69 0.00 0.00 178.15 179.60 3kly h GLY 45 N 1.02 0.90 0.36 5.37 0.00 -0.92 -2.04 103.07 107.76 3kly h GLY 45 Ca 0.03 -0.46 0.19 0.00 0.00 0.00 0.00 47.33 47.09 3kly h GLY 45 CO 0.09 0.44 0.59 -2.22 0.00 0.00 0.00 176.54 175.43 3kly h ILE 46 N 0.79 0.71 -0.33 2.60 2.04 -0.73 -1.26 117.51 121.33 3kly h ILE 46 Ca 0.20 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.75 3kly h ILE 46 Cb 0.14 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3kly h ILE 46 CO -0.02 0.09 -0.38 0.00 0.00 0.00 0.00 178.15 177.83 3kly h ALA 47 N 1.61 0.70 -0.22 1.87 0.00 -1.17 -1.26 119.26 120.80 3kly h ALA 47 Ca 0.46 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3kly h ALA 47 Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3kly h ALA 47 CO -0.19 0.66 -0.43 0.74 0.00 0.00 0.00 179.25 180.04 3kly h PHE 48 N 0.65 0.63 -0.46 0.00 0.04 -1.09 0.05 116.94 116.75 3kly h PHE 48 Ca 0.06 -0.19 0.02 0.00 2.80 0.00 0.00 57.97 60.66 3kly h PHE 48 Cb 0.93 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.92 3kly h PHE 48 CO 0.05 0.87 0.28 0.28 -0.60 0.00 0.00 178.31 179.19 3kly h VAL 49 N 0.43 1.06 0.30 -0.55 2.07 -1.09 -0.19 116.25 118.27 3kly h VAL 49 Ca 0.03 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3kly h VAL 49 Cb 0.93 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3kly h VAL 49 CO 0.08 0.10 -0.15 0.15 0.02 0.00 0.00 177.57 177.78 3kly h PHE 50 N 0.56 -0.38 -0.78 1.57 3.04 -1.00 -1.99 116.94 117.96 3kly h PHE 50 Ca 0.18 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.26 3kly h PHE 50 Cb 0.00 0.13 -0.09 0.00 2.56 0.00 0.00 35.95 38.55 3kly h PHE 50 CO -0.06 -0.24 0.36 -0.92 -2.02 0.00 0.00 178.31 175.43 3kly h TYR 51 N -0.41 0.63 -0.54 0.41 5.03 -0.84 -1.55 116.97 119.70 3kly h TYR 51 Ca -0.04 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 3kly h TYR 51 Cb 0.32 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 3kly h TYR 51 CO -0.06 0.14 0.07 1.15 -1.32 0.00 0.00 178.16 178.14 3kly h THR 52 N 0.54 1.26 0.32 1.81 2.02 -0.76 -2.22 112.91 115.89 3kly h THR 52 Ca 0.42 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3kly h THR 52 Cb 0.58 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3kly h THR 52 CO -0.36 0.36 -0.16 0.58 0.37 0.00 0.00 175.52 176.31 3kly h VAL 53 N 0.79 0.69 -0.32 3.16 2.07 -0.79 -2.89 116.25 118.96 3kly h VAL 53 Ca 0.16 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3kly h VAL 53 Cb 0.44 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3kly h VAL 53 CO 0.01 0.02 0.16 0.58 0.02 0.00 0.00 177.57 178.36 3kly h VAL 54 N -0.48 1.11 -0.34 2.57 2.07 -1.20 -1.92 116.25 118.06 3kly h VAL 54 Ca -0.04 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3kly h VAL 54 Cb 0.36 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3kly h VAL 54 CO 0.07 0.12 0.00 0.35 0.02 0.00 0.00 177.57 178.14 3kly n THR 55 N -4.44 0.44 -2.60 2.57 -2.24 -0.84 -4.91 114.28 102.26 3kly n THR 55 Ca 0.02 -0.56 -0.41 0.00 -2.27 0.00 0.00 64.05 60.83 3kly n THR 55 Cb 0.11 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.56 4.17 -0.39 4.28 2.01 -0.73 -3.57 115.64 119.86 3kly s THR 56 Ca 0.34 1.80 0.00 0.00 0.31 0.00 0.00 61.69 64.14 3kly s THR 56 Cb 0.19 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3kly s THR 56 CO 0.26 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3kly n GLY 57 N 2.27 0.61 1.85 4.40 0.00 -1.26 -4.94 105.19 108.12 3kly n GLY 57 Ca 0.03 -0.88 0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 0.78 3.84 -0.07 4.61 0.00 -1.23 -4.62 120.51 123.81 3kly n ALA 58 Ca -0.04 -1.94 0.09 0.00 0.00 0.00 0.00 53.44 51.55 3kly n ALA 58 Cb 0.18 -1.11 0.45 0.00 0.00 0.00 0.00 19.45 18.97 3kly n ALA 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kly h HIS 59 N 3.92 0.52 -0.01 0.00 -0.00 -1.92 -1.41 115.15 116.25 3kly h HIS 59 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3kly h HIS 59 Cb 1.96 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 29.20 3kly h HIS 59 CO 1.07 0.28 -0.30 -0.25 -0.00 0.00 0.00 177.93 178.72 3kly n ASP 60 N -4.47 0.98 -4.84 2.45 8.00 -1.26 -4.90 116.55 112.50 3kly n ASP 60 Ca 0.08 -0.82 -0.32 0.00 0.71 0.00 0.00 54.79 54.44 3kly n ASP 60 Cb 0.25 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.58 4.02 0.24 -1.24 -1.94 -0.53 -5.01 119.30 112.26 3kly s MET 61 Ca 0.22 0.88 -0.31 0.00 -1.71 0.00 0.00 55.69 54.77 3kly s MET 61 Cb 0.19 -2.24 -0.14 0.00 2.01 0.00 0.00 34.83 34.65 3kly s MET 61 CO 0.55 -0.08 1.33 -2.30 -0.01 0.00 0.00 175.02 174.52 3kly n PRO 62 N -1.01 1.87 -0.16 2.03 -0.02 -1.26 -4.87 135.00 131.58 3kly n PRO 62 Ca 0.05 0.67 -0.04 0.00 -2.02 0.00 0.00 63.50 62.16 3kly n PRO 62 Cb 0.54 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 3.78 -0.53 -0.59 6.00 5.03 -1.95 -2.44 116.97 126.27 3kly h TYR 63 Ca -0.45 0.05 -0.07 0.00 2.58 0.00 0.00 58.73 60.85 3kly h TYR 63 Cb 1.29 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 39.86 3kly h TYR 63 CO 0.55 -0.30 0.08 0.78 -1.32 0.00 0.00 178.16 177.95 3kly h GLY 64 N -0.10 1.03 0.96 1.82 0.00 -1.99 -2.42 103.07 102.37 3kly h GLY 64 Ca 0.24 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3kly h GLY 64 CO -0.57 0.62 0.16 -2.08 0.00 0.00 0.00 176.54 174.66 3kly h VAL 65 N 0.90 1.22 -0.11 4.60 2.07 -1.86 -1.56 116.25 121.51 3kly h VAL 65 Ca 0.18 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3kly h VAL 65 Cb 0.41 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3kly h VAL 65 CO 0.01 0.26 0.06 0.74 0.02 0.00 0.00 177.57 178.65 3kly h THR 66 N 0.60 1.00 -0.67 2.57 2.02 -1.33 -1.20 112.91 115.90 3kly h THR 66 Ca 0.15 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 3kly h THR 66 Cb 0.24 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3kly h THR 66 CO -0.01 0.02 0.21 0.11 0.37 0.00 0.00 175.52 176.23 3kly h LYS 67 N 0.12 1.02 -0.18 6.66 1.79 -1.36 -1.97 116.57 122.66 3kly h LYS 67 Ca 0.04 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 3kly h LYS 67 Cb 0.01 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 3kly h LYS 67 CO -0.03 0.87 0.07 1.25 -1.08 0.00 0.00 179.45 180.53 3kly h LEU 68 N 0.99 0.25 -0.66 2.94 5.85 -1.13 -0.30 115.31 123.25 3kly h LEU 68 Ca 0.22 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3kly h LEU 68 Cb 0.27 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3kly h LEU 68 CO -0.01 0.35 0.40 -0.07 -0.34 0.00 0.00 178.44 178.77 3kly h LEU 69 N 0.13 0.80 -0.51 2.25 3.38 -1.00 -1.02 115.31 119.34 3kly h LEU 69 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kly h LEU 69 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kly h LEU 69 CO -0.00 0.64 0.26 1.23 0.09 0.00 0.00 178.44 180.65 3kly h GLY 70 N 0.90 0.78 0.88 0.83 0.00 -1.28 -2.56 103.07 102.63 3kly h GLY 70 Ca 0.24 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.22 3kly h GLY 70 CO -0.04 0.35 0.32 -1.33 0.00 0.00 0.00 176.54 175.84 3kly h GLY 71 N 0.68 0.75 1.01 4.60 0.00 -0.70 -1.40 103.07 108.01 3kly h GLY 71 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3kly h GLY 71 CO -0.03 0.20 0.61 1.41 0.00 0.00 0.00 176.54 178.74 3kly h LEU 72 N 0.63 1.13 -0.42 3.11 3.38 -1.05 -2.55 115.31 119.55 3kly h LEU 72 Ca 0.21 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kly h LEU 72 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3kly h LEU 72 CO -0.09 0.84 0.07 0.00 0.09 0.00 0.00 178.44 179.35 3kly h ALA 73 N 1.33 0.55 -0.35 1.53 0.00 -1.10 -2.94 119.26 118.29 3kly h ALA 73 Ca 0.35 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3kly h ALA 73 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kly h ALA 73 CO -0.07 0.27 0.34 0.35 0.00 0.00 0.00 179.25 180.13 3kly h PHE 74 N 0.54 0.00 -0.22 0.00 3.04 -0.84 -2.22 116.94 117.24 3kly h PHE 74 Ca 0.13 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.14 3kly h PHE 74 Cb 0.37 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 3kly h PHE 74 CO 0.03 0.00 0.21 0.66 -2.02 0.00 0.00 178.31 177.19 3kly h SER 75 N 0.00 0.00 -0.95 0.41 4.64 -1.33 -0.23 113.55 116.09 3kly h SER 75 Ca 0.17 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.71 3kly h SER 75 Cb 0.84 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.86 3kly h SER 75 CO -0.00 0.00 0.62 0.25 -0.87 0.00 0.00 176.83 176.83 3kly h LEU 76 N 0.00 0.43 0.27 5.97 5.85 -1.60 -1.93 115.31 124.29 3kly h LEU 76 Ca 0.10 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kly h LEU 76 Cb 0.53 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3kly h LEU 76 CO -0.00 0.15 -0.20 1.23 -0.34 0.00 0.00 178.44 179.28 3kly h GLY 77 N 0.41 -0.48 1.84 3.75 0.00 -1.25 -0.66 103.07 106.69 3kly h GLY 77 Ca 0.51 0.23 -0.14 0.00 0.00 0.00 0.00 47.33 47.92 3kly h GLY 77 CO -0.21 -0.20 -0.61 -2.00 0.00 0.00 0.00 176.54 173.52 3kly h LEU 78 N -0.47 0.18 -0.30 3.11 5.85 -1.61 -2.13 115.31 119.95 3kly h LEU 78 Ca -0.02 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kly h LEU 78 Cb 0.41 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3kly h LEU 78 CO -0.01 0.75 0.18 0.40 -0.34 0.00 0.00 178.44 179.43 3kly h ILE 79 N 0.12 1.05 -0.03 4.05 2.04 -1.18 0.05 117.51 123.61 3kly h ILE 79 Ca -0.01 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3kly h ILE 79 Cb 1.11 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3kly h ILE 79 CO 0.09 0.07 0.02 -0.07 0.00 0.00 0.00 178.15 178.26 3kly h LEU 80 N 0.38 0.03 0.20 1.44 3.38 -0.91 -1.95 115.31 117.87 3kly h LEU 80 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kly h LEU 80 Cb -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kly h LEU 80 CO -0.04 0.04 -0.19 0.58 0.09 0.00 0.00 178.44 178.92 3kly h VAL 81 N 0.02 0.59 -0.02 1.22 2.07 -1.16 -0.78 116.25 118.19 3kly h VAL 81 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3kly h VAL 81 Cb 0.02 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3kly h VAL 81 CO -0.00 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.18 3kly h VAL 82 N -0.41 1.04 -0.35 2.57 2.07 -0.98 -0.71 116.25 119.48 3kly h VAL 82 Ca -0.00 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 3kly h VAL 82 Cb 0.38 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kly h VAL 82 CO -0.04 0.03 -0.35 0.40 0.02 0.00 0.00 177.57 177.63 3kly h ILE 83 N -0.02 1.28 -0.00 4.57 2.04 -1.34 -3.14 117.51 120.90 3kly h ILE 83 Ca 0.01 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.35 3kly h ILE 83 Cb 0.05 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3kly h ILE 83 CO -0.00 0.50 -0.26 0.35 0.00 0.00 0.00 178.15 178.74 3kly n THR 84 N -4.06 0.00 -0.66 -0.27 -2.24 -0.30 -4.94 114.28 101.81 3kly n THR 84 Ca -0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3kly n THR 84 Cb 0.51 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.41 0.61 3.64 3.38 0.00 -0.53 -5.04 105.19 108.66 3kly n GLY 85 Ca 0.09 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3kly n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kly n GLY 86 N -2.59 -0.45 3.17 -0.02 0.00 -0.39 -4.97 105.19 99.93 3kly n GLY 86 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3kly n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kly s GLU 87 N -4.11 2.23 -0.21 1.61 2.02 -0.35 -4.83 118.70 115.06 3kly s GLU 87 Ca 0.69 -1.61 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 3kly s GLU 87 Cb -0.27 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 3kly s GLU 87 CO 0.55 -0.94 0.10 -1.17 0.02 0.00 0.00 175.26 173.82 3kly s LEU 88 N 1.23 3.90 0.00 1.80 2.96 -1.26 -4.22 118.68 123.08 3kly s LEU 88 Ca 0.04 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 3kly s LEU 88 Cb -0.22 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.45 3kly s LEU 88 CO -0.02 0.11 0.00 0.33 -1.32 0.00 0.00 176.35 175.45 3kly n PHE 89 N 3.96 0.00 0.00 5.38 -0.00 -1.26 -4.75 117.46 120.79 3kly n PHE 89 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 3kly n PHE 89 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.00 3kly n PHE 89 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 3kly n THR 90 N 0.28 0.00 -1.22 -2.13 5.66 -1.26 -5.10 114.28 110.50 3kly n THR 90 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 3kly n THR 90 Cb 0.00 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 68.89 3kly n THR 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kly s SER 91 N 0.00 3.82 -0.29 1.09 1.04 -1.26 -4.83 113.70 113.27 3kly s SER 91 Ca 0.00 2.34 -0.37 0.00 0.48 0.00 0.00 55.95 58.40 3kly s SER 91 Cb 0.00 -2.59 -0.13 0.00 0.10 0.00 0.00 66.02 63.40 3kly s SER 91 CO 0.00 -2.51 1.98 -1.54 0.98 0.00 0.00 173.24 172.15 3kly n SER 92 N -3.12 2.36 -3.93 7.02 3.41 -1.26 -2.21 113.62 115.90 3kly n SER 92 Ca 0.13 0.74 -0.27 0.00 -0.26 0.00 0.00 58.87 59.22 3kly n SER 92 Cb 0.50 -1.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.16 3kly n SER 92 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3kly n VAL 93 N 5.94 -0.60 -3.47 -3.33 3.14 -1.26 -0.97 118.33 117.78 3kly n VAL 93 Ca 0.34 -0.30 -0.18 0.00 -2.96 0.00 0.00 64.34 61.23 3kly n VAL 93 Cb 0.19 -0.69 0.01 0.00 -1.06 0.00 0.00 33.84 32.28 3kly n VAL 93 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3kly n LEU 94 N -3.71 -3.85 -3.89 6.55 7.94 -0.94 -1.15 117.00 117.96 3kly n LEU 94 Ca -0.18 -0.48 -0.28 0.00 -1.11 0.00 0.00 56.01 53.96 3kly n LEU 94 Cb 0.51 -2.25 -0.03 0.00 0.53 0.00 0.00 43.42 42.18 3kly n LEU 94 CO 0.69 -0.32 -0.22 2.30 -1.11 0.00 0.00 177.39 178.73 3kly n ILE 95 N -1.86 -1.30 -2.88 1.96 -5.35 -0.14 0.12 119.36 109.90 3kly n ILE 95 Ca -0.16 -0.38 -0.04 0.00 -0.27 0.00 0.00 62.75 61.89 3kly n ILE 95 Cb 0.62 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 3kly n ILE 95 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3kly n LEU 96 N -3.71 -6.82 -4.06 7.28 7.94 -0.98 -0.53 117.00 116.12 3kly n LEU 96 Ca -0.15 0.99 -0.41 0.00 -1.11 0.00 0.00 56.01 55.34 3kly n LEU 96 Cb 0.44 -2.91 0.01 0.00 0.53 0.00 0.00 43.42 41.49 3kly n LEU 96 CO 0.56 -2.54 -0.17 1.33 -1.11 0.00 0.00 177.39 175.45 3kly n VAL 97 N 0.61 -2.15 -2.87 1.96 0.24 -0.30 -0.10 118.33 115.71 3kly n VAL 97 Ca 0.01 -0.51 -0.20 0.00 -2.04 0.00 0.00 64.34 61.60 3kly n VAL 97 Cb 0.22 -1.84 0.01 0.00 -1.47 0.00 0.00 33.84 30.76 3kly n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kly n ALA 98 N -4.55 -0.89 -3.49 2.33 0.00 0.32 -1.91 120.51 112.31 3kly n ALA 98 Ca -0.11 0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 3kly n ALA 98 Cb 0.50 -2.85 0.01 0.00 0.00 0.00 0.00 19.45 17.11 3kly n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kly n LYS 99 N -3.53 -1.40 -1.38 0.00 5.02 0.85 -0.59 118.16 117.13 3kly n LYS 99 Ca -0.12 1.00 -0.14 0.00 -2.02 0.00 0.00 58.31 57.03 3kly n LYS 99 Cb 0.61 -3.90 -0.06 0.00 -0.02 0.00 0.00 35.03 31.66 3kly n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kly n ALA 100 N -2.53 -0.21 -3.70 7.82 0.00 -0.91 -1.74 120.51 119.24 3kly n ALA 100 Ca -0.16 0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 3kly n ALA 100 Cb 0.60 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.63 3kly n ALA 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kly n SER 101 N -0.57 -1.91 0.00 0.00 2.88 0.24 -4.82 113.62 109.44 3kly n SER 101 Ca -0.14 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 3kly n SER 101 Cb 0.46 -3.91 0.00 0.00 -0.75 0.00 0.00 64.21 60.01 3kly n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kly n GLY 102 N -1.62 0.01 0.93 0.46 0.00 -0.71 -4.90 105.19 99.36 3kly n GLY 102 Ca -0.26 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3kly n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kly n LYS 103 N -0.55 2.24 -1.69 1.61 4.01 -1.11 -4.97 118.16 117.71 3kly n LYS 103 Ca 0.00 -1.85 -0.33 0.00 -0.51 0.00 0.00 58.31 55.62 3kly n LYS 103 Cb 0.00 -1.48 0.05 0.00 -0.51 0.00 0.00 35.03 33.10 3kly n LYS 103 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 3kly s ILE 104 N -1.73 3.28 0.00 -0.18 -4.36 -1.25 -4.81 121.20 112.15 3kly s ILE 104 Ca 0.35 0.57 0.00 0.00 -0.26 0.00 0.00 60.65 61.30 3kly s ILE 104 Cb 0.21 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.83 3kly s ILE 104 CO 0.30 -0.40 0.00 -1.54 0.24 0.00 0.00 174.94 173.54 3kly n SER 105 N -2.58 0.00 -0.03 4.36 3.41 -1.26 -4.95 113.62 112.57 3kly n SER 105 Ca 0.10 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.79 3kly n SER 105 Cb 0.52 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.93 3kly n SER 105 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3kly n TRP 106 N -0.24 0.01 0.00 7.33 -0.00 -1.26 -3.45 117.44 119.83 3kly n TRP 106 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 3kly n TRP 106 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3kly n TRP 106 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 3kly n LYS 107 N -0.69 0.00 -0.06 5.87 4.81 -1.26 -4.43 118.16 122.40 3kly n LYS 107 Ca 0.12 0.14 -0.14 0.00 -0.87 0.00 0.00 58.31 57.56 3kly n LYS 107 Cb 0.07 -0.54 -0.13 0.00 0.02 0.00 0.00 35.03 34.45 3kly n LYS 107 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3kly h GLU 108 N 0.00 0.01 -0.69 1.64 4.22 -1.89 -3.12 114.58 114.76 3kly h GLU 108 Ca 0.00 -0.02 0.12 0.00 0.08 0.00 0.00 59.36 59.54 3kly h GLU 108 Cb 0.00 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 3kly h GLU 108 CO 0.00 1.00 0.26 1.25 -2.18 0.00 0.00 179.01 179.34 3kly h LEU 109 N -0.96 0.24 -1.30 1.64 5.85 -1.87 0.48 115.31 119.38 3kly h LEU 109 Ca -0.01 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3kly h LEU 109 Cb 1.02 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3kly h LEU 109 CO 0.01 0.12 0.48 0.58 -0.34 0.00 0.00 178.44 179.28 3kly h VAL 110 N 0.42 1.15 -0.46 1.05 2.07 -1.69 -0.37 116.25 118.43 3kly h VAL 110 Ca 0.36 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 3kly h VAL 110 Cb 0.51 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3kly h VAL 110 CO -0.36 0.17 -0.11 -0.09 0.02 0.00 0.00 177.57 177.20 3kly h ARG 111 N 0.93 0.88 -0.28 1.57 9.65 -0.12 -2.03 114.38 124.97 3kly h ARG 111 Ca 0.28 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3kly h ARG 111 Cb -0.03 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 3kly h ARG 111 CO -0.07 0.98 0.15 -0.97 2.80 0.00 0.00 179.97 182.86 3kly h ASN 112 N 0.71 0.36 -0.61 -3.80 -0.73 -0.21 -2.47 115.58 108.84 3kly h ASN 112 Ca 0.12 -0.09 0.13 0.00 1.87 0.00 0.00 56.30 58.32 3kly h ASN 112 Cb 0.65 -0.09 -0.11 0.00 0.27 0.00 0.00 38.32 39.04 3kly h ASN 112 CO 0.04 0.35 -0.06 -0.50 -0.37 0.00 0.00 177.43 176.89 3kly h TRP 113 N 0.34 -0.16 -0.12 0.67 4.06 -0.87 -1.59 115.95 118.28 3kly h TRP 113 Ca 0.10 0.05 -0.10 0.00 2.06 0.00 0.00 58.89 61.00 3kly h TRP 113 Cb 0.07 0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 3kly h TRP 113 CO -0.03 -0.21 -0.36 1.79 -3.56 0.00 0.00 178.44 176.07 3kly h THR 114 N 0.06 1.29 0.00 1.49 1.35 -1.18 0.18 112.91 116.11 3kly h THR 114 Ca 0.31 -1.40 -0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3kly h THR 114 Cb 0.49 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3kly h THR 114 CO -0.57 0.42 -0.00 0.58 -0.25 0.00 0.00 175.52 175.70 3kly h VAL 115 N 0.21 1.06 -0.22 6.82 2.07 -0.85 0.12 116.25 125.46 3kly h VAL 115 Ca 0.02 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3kly h VAL 115 Cb 0.74 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3kly h VAL 115 CO 0.06 0.05 0.08 0.58 0.02 0.00 0.00 177.57 178.35 3kly h VAL 116 N -0.08 1.18 -0.36 2.57 2.07 -0.92 0.11 116.25 120.82 3kly h VAL 116 Ca -0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kly h VAL 116 Cb 0.08 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3kly h VAL 116 CO 0.00 0.19 0.24 0.22 0.02 0.00 0.00 177.57 178.23 3kly h TYR 117 N 0.20 0.45 -0.55 1.57 3.20 -0.62 0.28 116.97 121.50 3kly h TYR 117 Ca 0.07 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3kly h TYR 117 Cb 0.22 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3kly h TYR 117 CO -0.00 0.28 0.10 0.35 -1.64 0.00 0.00 178.16 177.25 3kly h PHE 118 N 0.49 0.90 -0.16 -3.82 3.57 -0.90 -2.07 116.94 114.95 3kly h PHE 118 Ca 0.13 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3kly h PHE 118 Cb -0.05 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 3kly h PHE 118 CO -0.05 0.78 0.06 0.78 -2.23 0.00 0.00 178.31 177.65 3kly h GLY 119 N 0.99 0.25 0.30 2.40 0.00 0.06 -1.01 103.07 106.05 3kly h GLY 119 Ca 0.17 -0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.50 3kly h GLY 119 CO 0.01 0.13 0.43 3.43 0.00 0.00 0.00 176.54 180.54 3kly h ASN 120 N 0.10 0.54 -0.07 0.19 2.35 -0.33 -1.15 115.58 117.20 3kly h ASN 120 Ca 0.05 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3kly h ASN 120 Cb 0.17 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3kly h ASN 120 CO -0.00 0.25 0.04 0.25 -1.65 0.00 0.00 177.43 176.32 3kly h LEU 121 N 0.65 0.09 -0.86 1.61 5.85 -0.93 -1.48 115.31 120.24 3kly h LEU 121 Ca 0.44 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3kly h LEU 121 Cb 0.58 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3kly h LEU 121 CO -0.34 0.17 0.56 0.00 -0.34 0.00 0.00 178.44 178.49 3kly h GLY 123 N 1.17 1.16 1.09 0.00 0.00 -1.12 -0.81 103.07 104.56 3kly h GLY 123 Ca 0.31 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3kly h GLY 123 CO -0.07 0.75 0.34 1.76 0.00 0.00 0.00 176.54 179.32 3kly h SER 124 N 0.99 1.06 0.30 0.19 0.02 -0.78 -2.29 113.55 113.04 3kly h SER 124 Ca 0.19 -0.15 -0.21 0.00 -0.84 0.00 0.00 61.79 60.78 3kly h SER 124 Cb 0.49 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 3kly h SER 124 CO 0.02 0.92 -0.87 0.40 -1.14 0.00 0.00 176.83 176.17 3kly h ILE 125 N 1.14 1.39 -0.37 3.27 1.08 -1.08 -2.03 117.51 120.91 3kly h ILE 125 Ca 0.27 -2.34 0.01 0.00 -0.39 0.00 0.00 64.86 62.40 3kly h ILE 125 Cb 0.17 2.31 -0.02 0.00 -3.07 0.00 0.00 36.82 36.21 3kly h ILE 125 CO -0.03 0.70 0.24 0.40 -0.69 0.00 0.00 178.15 178.77 3kly h ILE 126 N 0.25 1.09 -0.31 -0.67 2.04 -1.02 -2.37 117.51 116.51 3kly h ILE 126 Ca -0.06 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 3kly h ILE 126 Cb 1.48 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3kly h ILE 126 CO 0.15 0.09 -0.14 0.25 0.00 0.00 0.00 178.15 178.50 3kly h LEU 127 N 0.49 0.53 -0.24 1.44 5.85 -1.39 -2.52 115.31 119.47 3kly h LEU 127 Ca 0.14 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3kly h LEU 127 Cb -0.05 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3kly h LEU 127 CO -0.04 0.69 0.05 0.58 -0.34 0.00 0.00 178.44 179.39 3kly h VAL 128 N 0.50 0.90 -0.45 1.05 2.07 -0.97 -0.25 116.25 119.09 3kly h VAL 128 Ca 0.09 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 3kly h VAL 128 Cb 0.53 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3kly h VAL 128 CO 0.03 0.03 -0.15 -0.26 0.02 0.00 0.00 177.57 177.24 3kly h PHE 129 N 0.15 0.96 -0.28 1.57 0.04 -1.20 -0.21 116.94 117.98 3kly h PHE 129 Ca 0.11 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 3kly h PHE 129 Cb 0.10 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 3kly h PHE 129 CO -0.15 0.95 0.03 0.82 -0.60 0.00 0.00 178.31 179.36 3kly h ILE 130 N 0.77 1.24 -0.43 -0.55 2.04 -1.34 -2.35 117.51 116.89 3kly h ILE 130 Ca 0.12 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 3kly h ILE 130 Cb 0.67 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3kly h ILE 130 CO 0.05 0.27 0.07 0.24 0.00 0.00 0.00 178.15 178.78 3kly h MET 131 N 0.28 0.66 -0.72 2.37 2.86 -0.85 -1.96 114.93 117.56 3kly h MET 131 Ca 0.08 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3kly h MET 131 Cb 0.37 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3kly h MET 131 CO 0.01 0.62 0.38 -0.07 1.06 0.00 0.00 176.91 178.91 3kly h LEU 132 N 0.63 0.90 -1.32 1.22 3.38 -0.96 -2.74 115.31 116.43 3kly h LEU 132 Ca 0.14 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3kly h LEU 132 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kly h LEU 132 CO 0.00 0.75 -0.24 0.00 0.09 0.00 0.00 178.44 179.04 3kly h ALA 133 N 1.19 1.11 0.00 1.53 0.00 -0.83 -1.94 119.26 120.33 3kly h ALA 133 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kly h ALA 133 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kly h ALA 133 CO -0.04 0.30 0.00 1.79 0.00 0.00 0.00 179.25 181.30 3kly h THR 134 N 0.00 0.00 -2.93 0.00 1.35 -1.07 -3.46 112.91 106.80 3kly h THR 134 Ca -0.00 -0.33 -0.36 0.00 -0.55 0.00 0.00 66.41 65.17 3kly h THR 134 Cb 0.66 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.18 3kly h THR 134 CO 0.03 0.00 -0.43 0.54 -0.25 0.00 0.00 175.52 175.41 3kly n ARG 135 N -2.41 -1.80 0.06 4.72 1.74 -0.73 -4.86 116.66 113.38 3kly n ARG 135 Ca 0.02 0.89 0.12 0.00 -0.77 0.00 0.00 57.85 58.12 3kly n ARG 135 Cb 0.27 -5.48 0.59 0.00 -1.02 0.00 0.00 32.46 26.83 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 0.17 0.00 5.56 4.15 -1.83 -2.40 115.11 120.76 3kly h GLN 136 Ca -0.41 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.00 3kly h GLN 136 Cb 1.28 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3kly h GLN 136 CO 0.50 0.11 0.05 0.27 -1.93 0.00 0.00 178.83 177.83 3kly h PHE 137 N 0.17 0.00 -0.00 3.99 -5.15 -1.89 0.46 116.94 114.52 3kly h PHE 137 Ca 0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 3kly h PHE 137 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.60 3kly h PHE 137 CO -0.00 0.00 -0.07 -1.33 -2.00 0.00 0.00 178.31 174.91 3kly n MET 138 N -2.48 0.11 -1.78 6.09 2.81 -0.90 -1.10 117.12 119.87 3kly n MET 138 Ca -0.02 -0.02 -0.34 0.00 -1.81 0.00 0.00 57.70 55.52 3kly n MET 138 Cb 0.09 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.15 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 -2.90 2.75 -1.27 0.03 0.41 0.15 -1.57 118.70 116.30 3kly s GLU 139 Ca 0.17 1.54 -0.02 0.00 -0.41 0.00 0.00 54.97 56.25 3kly s GLU 139 Cb 0.19 -1.93 0.01 0.00 -1.78 0.00 0.00 34.13 30.62 3kly s GLU 139 CO 0.54 -1.32 0.97 -3.47 -0.49 0.00 0.00 175.26 171.49 3kly n ASP 140 N -2.24 -2.78 -2.90 -0.19 2.03 -1.26 -2.10 116.55 107.11 3kly n ASP 140 Ca 0.12 -0.66 -0.22 0.00 0.52 0.00 0.00 54.79 54.55 3kly n ASP 140 Cb 0.51 -4.82 0.02 0.00 -0.72 0.00 0.00 41.12 36.11 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 -1.41 -0.52 2.00 0.27 0.00 -1.24 -1.60 105.19 102.69 3kly n GLY 141 Ca -0.22 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.38 1.47 0.23 -0.02 0.00 -0.61 -4.33 105.19 100.56 3kly n GLY 142 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 3.12 0.08 -0.47 1.61 1.08 -0.96 -1.68 115.11 117.89 3kly h GLN 143 Ca 0.00 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3kly h GLN 143 Cb 0.00 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 3kly h GLN 143 CO 0.00 0.25 0.10 1.25 -0.95 0.00 0.00 178.83 179.48 3kly h LEU 144 N 0.08 0.73 -0.10 1.46 6.46 -1.61 -0.23 115.31 122.10 3kly h LEU 144 Ca 0.02 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3kly h LEU 144 Cb 0.34 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3kly h LEU 144 CO 0.02 0.79 0.07 1.23 -0.62 0.00 0.00 178.44 179.92 3kly h GLY 145 N 0.64 0.14 0.82 3.75 0.00 -0.36 -0.77 103.07 107.29 3kly h GLY 145 Ca 0.15 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.46 3kly h GLY 145 CO 0.00 0.05 0.44 1.41 0.00 0.00 0.00 176.54 178.45 3kly h LEU 146 N 0.13 0.71 0.18 3.11 3.38 -1.23 -0.77 115.31 120.82 3kly h LEU 146 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kly h LEU 146 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kly h LEU 146 CO -0.01 0.48 -0.17 -1.13 0.09 0.00 0.00 178.44 177.71 3kly h ASN 147 N 0.85 -0.44 -0.74 -0.43 -1.24 -0.77 0.12 115.58 112.92 3kly h ASN 147 Ca 0.30 0.04 0.10 0.00 0.71 0.00 0.00 56.30 57.45 3kly h ASN 147 Cb 0.07 0.15 -0.08 0.00 0.73 0.00 0.00 38.32 39.19 3kly h ASN 147 CO -0.13 -0.25 0.37 0.00 -1.29 0.00 0.00 177.43 176.12 3kly h ALA 148 N 0.42 1.04 -0.42 1.57 0.00 -0.68 0.38 119.26 121.57 3kly h ALA 148 Ca -0.00 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3kly h ALA 148 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kly h ALA 148 CO -0.04 -0.06 -0.30 0.52 0.00 0.00 0.00 179.25 179.38 3kly h MET 149 N 0.60 0.92 -0.49 0.00 2.86 -0.84 -2.56 114.93 115.42 3kly h MET 149 Ca 0.37 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3kly h MET 149 Cb 0.43 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3kly h MET 149 CO -0.29 1.09 0.17 0.00 1.06 0.00 0.00 176.91 178.93 3kly h ALA 150 N 0.88 0.64 -0.56 6.32 0.00 0.21 -0.17 119.26 126.58 3kly h ALA 150 Ca 0.08 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3kly h ALA 150 Cb 0.87 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3kly h ALA 150 CO 0.08 0.27 0.23 0.82 0.00 0.00 0.00 179.25 180.65 3kly h ILE 151 N 0.65 0.84 -0.04 0.00 2.04 -0.91 -2.11 117.51 117.99 3kly h ILE 151 Ca 0.16 -0.15 -0.21 0.00 1.00 0.00 0.00 64.86 65.66 3kly h ILE 151 Cb 0.24 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3kly h ILE 151 CO -0.01 0.08 -0.84 0.28 0.00 0.00 0.00 178.15 177.66 3kly h SER 152 N 0.44 0.51 -0.74 1.72 0.02 -1.12 -3.04 113.55 111.33 3kly h SER 152 Ca 0.27 -0.37 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3kly h SER 152 Cb 0.27 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 3kly h SER 152 CO -0.25 1.15 0.42 1.56 -1.14 0.00 0.00 176.83 178.57 3kly h GLN 153 N 0.25 0.73 -0.04 3.45 4.20 -0.87 -1.83 115.11 121.00 3kly h GLN 153 Ca -0.06 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.62 3kly h GLN 153 Cb 1.45 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 3kly h GLN 153 CO 0.15 0.49 0.06 1.25 -0.67 0.00 0.00 178.83 180.10 3kly h HIS 154 N 0.76 0.00 -0.00 2.96 2.76 -1.27 -1.02 115.15 119.34 3kly h HIS 154 Ca 0.34 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 3kly h HIS 154 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3kly h HIS 154 CO -0.07 0.00 -0.20 1.63 -1.30 0.00 0.00 177.93 177.99 3kly n LYS 155 N -3.62 0.15 -0.20 5.26 5.02 -0.69 -4.09 118.16 119.99 3kly n LYS 155 Ca -0.02 -0.05 0.08 0.00 -2.02 0.00 0.00 58.31 56.30 3kly n LYS 155 Cb 0.14 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.38 3.15 -0.89 -0.35 4.77 -0.39 -4.47 117.00 117.44 3kly n LEU 156 Ca 0.08 -1.75 0.05 0.00 -0.03 0.00 0.00 56.01 54.37 3kly n LEU 156 Cb 0.32 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 41.28 3kly n LEU 156 CO 0.29 0.74 0.26 1.41 -1.33 0.00 0.00 177.39 178.76 3kly n HIS 157 N 1.02 0.00 -2.24 -1.77 8.25 -1.26 -4.90 115.22 114.33 3kly n HIS 157 Ca 0.16 -1.04 -0.30 0.00 -0.26 0.00 0.00 57.72 56.28 3kly n HIS 157 Cb 0.49 -0.20 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.88 3.57 0.95 4.41 3.76 -1.26 -5.09 115.29 119.75 3kly s HIS 158 Ca 0.35 1.19 -0.14 0.00 -0.15 0.00 0.00 55.06 56.31 3kly s HIS 158 Cb 0.36 -2.61 0.16 0.00 1.11 0.00 0.00 32.58 31.60 3kly s HIS 158 CO -0.10 -0.48 1.16 0.95 -0.85 0.00 0.00 174.74 175.42 3kly s THR 159 N -2.90 1.95 0.05 1.30 -4.23 -1.26 -4.84 115.64 105.71 3kly s THR 159 Ca 0.54 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.83 3kly s THR 159 Cb -0.11 -2.76 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 3kly s THR 159 CO 0.46 0.00 1.47 0.15 -0.54 0.00 0.00 174.62 176.16 3kly h PHE 160 N -1.64 0.26 -0.46 3.99 3.04 -1.98 -0.80 116.94 119.34 3kly h PHE 160 Ca -0.49 -0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.44 3kly h PHE 160 Cb 1.31 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.73 3kly h PHE 160 CO -0.24 0.48 0.27 1.25 -2.02 0.00 0.00 178.31 178.06 3kly h LEU 161 N -0.04 0.44 -0.20 0.59 5.85 -1.98 0.13 115.31 120.10 3kly h LEU 161 Ca 0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kly h LEU 161 Cb 0.39 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3kly h LEU 161 CO 0.01 0.32 0.11 -0.61 -0.34 0.00 0.00 178.44 177.93 3kly h GLN 162 N 0.55 0.27 -0.74 1.25 4.15 -1.91 0.20 115.11 118.89 3kly h GLN 162 Ca 0.19 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3kly h GLN 162 Cb 0.01 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 3kly h GLN 162 CO -0.08 0.25 0.42 0.00 -1.93 0.00 0.00 178.83 177.49 3kly h ALA 163 N 1.01 0.95 0.13 3.38 0.00 -0.87 0.19 119.26 124.04 3kly h ALA 163 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kly h ALA 163 Cb 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kly h ALA 163 CO -0.01 0.44 -0.07 0.35 0.00 0.00 0.00 179.25 179.96 3kly h PHE 164 N 1.02 -0.19 -0.93 0.00 3.57 -0.46 -1.86 116.94 118.09 3kly h PHE 164 Ca 0.26 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.80 3kly h PHE 164 Cb 0.01 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3kly h PHE 164 CO -0.00 -0.12 0.61 0.00 -2.23 0.00 0.00 178.31 176.57 3kly h ALA 165 N 0.68 1.41 -0.19 2.41 0.00 -0.32 -0.05 119.26 123.20 3kly h ALA 165 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3kly h ALA 165 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kly h ALA 165 CO 0.02 0.50 -0.17 -0.07 0.00 0.00 0.00 179.25 179.53 3kly h LEU 166 N 1.17 0.30 -0.02 0.00 3.38 -0.76 -1.81 115.31 117.56 3kly h LEU 166 Ca 0.37 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 58.02 3kly h LEU 166 Cb 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kly h LEU 166 CO -0.11 0.49 -1.09 1.23 0.09 0.00 0.00 178.44 179.05 3kly h GLY 167 N 0.87 0.28 0.93 0.83 0.00 -0.53 -1.73 103.07 103.71 3kly h GLY 167 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 3kly h GLY 167 CO 0.03 0.54 -0.21 -2.00 0.00 0.00 0.00 176.54 174.90 3kly h LEU 168 N 0.10 -0.51 -1.39 3.11 5.85 -0.83 -2.58 115.31 119.06 3kly h LEU 168 Ca -0.09 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3kly h LEU 168 Cb 1.78 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.95 3kly h LEU 168 CO 0.17 -0.34 0.08 0.24 -0.34 0.00 0.00 178.44 178.26 3kly h MET 169 N -0.54 0.49 0.73 1.25 2.86 -1.39 -2.31 114.93 116.02 3kly h MET 169 Ca -0.04 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3kly h MET 169 Cb 0.44 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3kly h MET 169 CO 0.05 0.46 -0.41 0.00 1.06 0.00 0.00 176.91 178.06 3kly h ASN 171 N -1.06 0.00 -0.09 0.00 -0.00 -1.33 -1.56 115.58 111.54 3kly h ASN 171 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.20 3kly h ASN 171 Cb 0.84 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.16 3kly h ASN 171 CO 0.12 0.00 0.05 0.40 -0.00 0.00 0.00 177.43 177.99 3kly h ILE 172 N 0.00 1.09 -0.22 2.57 2.04 -1.37 -0.86 117.51 120.75 3kly h ILE 172 Ca 0.00 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3kly h ILE 172 Cb 0.53 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3kly h ILE 172 CO 0.00 0.08 0.10 -0.07 0.00 0.00 0.00 178.15 178.25 3kly h LEU 173 N 0.05 0.30 -0.42 1.44 -0.00 -1.03 -1.75 115.31 113.90 3kly h LEU 173 Ca 0.03 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 3kly h LEU 173 Cb 0.08 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 3kly h LEU 173 CO -0.01 0.37 0.25 0.58 -0.00 0.00 0.00 178.44 179.63 3kly h VAL 174 N 0.22 1.14 -0.86 1.22 2.07 -1.34 -1.42 116.25 117.28 3kly h VAL 174 Ca 0.08 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3kly h VAL 174 Cb 0.15 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3kly h VAL 174 CO -0.01 0.15 0.45 0.00 0.02 0.00 0.00 177.57 178.18 3kly h LEU 176 N 1.20 0.84 0.39 0.00 3.38 -1.04 -0.89 115.31 119.20 3kly h LEU 176 Ca 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3kly h LEU 176 Cb 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3kly h LEU 176 CO -0.04 0.62 -0.19 0.00 0.09 0.00 0.00 178.44 178.92 3kly h ALA 177 N 1.26 -0.53 -0.60 1.53 0.00 -0.82 -2.46 119.26 117.64 3kly h ALA 177 Ca 0.27 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kly h ALA 177 Cb -0.10 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3kly h ALA 177 CO -0.06 -0.68 0.32 0.28 0.00 0.00 0.00 179.25 179.11 3kly h VAL 178 N -0.76 0.96 -0.70 0.00 2.07 -1.12 -2.26 116.25 114.45 3kly h VAL 178 Ca -0.05 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.38 3kly h VAL 178 Cb 0.52 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 3kly h VAL 178 CO 0.09 0.11 0.26 -0.25 0.02 0.00 0.00 177.57 177.80 3kly h TRP 179 N 0.61 0.44 0.00 1.57 2.91 -1.15 -1.18 115.95 119.15 3kly h TRP 179 Ca 0.27 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.31 3kly h TRP 179 Cb 0.17 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 3kly h TRP 179 CO -0.09 0.06 -0.06 0.52 -1.03 0.00 0.00 178.44 177.84 3kly h MET 180 N 0.41 0.00 0.00 2.65 2.86 -0.91 -1.18 114.93 118.75 3kly h MET 180 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 3kly h MET 180 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3kly h MET 180 CO -0.38 0.06 0.00 1.79 1.06 0.00 0.00 176.91 179.44 3kly h THR 181 N 0.00 0.00 0.00 2.22 1.35 -1.06 -2.97 112.91 112.44 3kly h THR 181 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3kly h THR 181 Cb 0.10 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3kly h THR 181 CO 0.01 0.00 0.00 -0.26 -0.25 0.00 0.00 175.52 175.02 3kly h PHE 182 N 0.00 0.00 -0.31 4.73 0.04 -1.20 -2.44 116.94 117.75 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 0.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3kly h PHE 182 CO 0.00 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.58 3kly n SER 183 N -2.56 3.27 -4.77 2.17 3.41 -1.12 -5.02 113.62 109.00 3kly n SER 183 Ca 0.00 -2.38 -0.34 0.00 -0.26 0.00 0.00 58.87 55.90 3kly n SER 183 Cb 0.19 -0.34 0.03 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.68 2.55 0.00 7.33 0.00 -0.92 -4.98 121.76 124.06 3kly s ALA 184 Ca 0.30 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3kly s ALA 184 Cb 0.20 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3kly s ALA 184 CO 0.13 -1.10 0.60 0.54 0.00 0.00 0.00 175.76 175.94 3kly n ARG 185 N -2.08 0.40 -3.79 0.00 1.74 -1.26 -5.05 116.66 106.62 3kly n ARG 185 Ca 0.11 -0.76 -0.07 0.00 -0.77 0.00 0.00 57.85 56.36 3kly n ARG 185 Cb 0.52 -0.92 -0.02 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.31 -0.27 0.33 0.55 1.04 -1.26 -5.01 113.70 108.77 3kly s SER 186 Ca 0.00 -0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.00 3kly s SER 186 Cb 0.00 0.66 0.60 0.00 0.10 0.00 0.00 66.02 67.38 3kly s SER 186 CO 0.00 -1.20 1.83 -0.07 0.98 0.00 0.00 173.24 174.78 3kly h LEU 187 N 2.00 0.37 -0.56 2.42 3.38 -2.00 -2.86 115.31 118.05 3kly h LEU 187 Ca -0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3kly h LEU 187 Cb 1.25 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3kly h LEU 187 CO 0.25 0.55 0.30 0.74 0.09 0.00 0.00 178.44 180.37 3kly h THR 188 N 0.35 1.19 -0.82 0.22 2.02 -1.99 -1.26 112.91 112.61 3kly h THR 188 Ca 0.06 -0.51 0.12 0.00 0.77 0.00 0.00 66.41 66.86 3kly h THR 188 Cb 0.49 0.50 -0.08 0.00 -1.74 0.00 0.00 68.15 67.31 3kly h THR 188 CO 0.03 0.21 0.44 0.44 0.37 0.00 0.00 175.52 177.01 3kly h ASP 189 N 0.76 0.57 -0.30 4.18 5.19 -1.90 -0.10 116.42 124.81 3kly h ASP 189 Ca 0.20 0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.56 3kly h ASP 189 Cb 0.07 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3kly h ASP 189 CO -0.03 0.28 -0.27 0.11 -3.12 0.00 0.00 179.24 176.21 3kly h LYS 190 N 0.68 0.72 -0.22 3.56 1.57 -1.19 -2.35 116.57 119.34 3kly h LYS 190 Ca 0.43 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kly h LYS 190 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3kly h LYS 190 CO -0.31 0.98 0.13 0.28 -0.57 0.00 0.00 179.45 179.97 3kly h VAL 191 N 0.47 1.09 -0.24 0.50 2.07 -0.87 -2.66 116.25 116.61 3kly h VAL 191 Ca 0.05 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3kly h VAL 191 Cb 0.84 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3kly h VAL 191 CO 0.07 0.08 -0.00 0.24 0.02 0.00 0.00 177.57 177.98 3kly h MET 192 N 0.27 0.36 0.00 1.57 2.86 -0.93 -2.57 114.93 116.50 3kly h MET 192 Ca 0.08 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3kly h MET 192 Cb 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3kly h MET 192 CO -0.02 0.39 -0.56 -0.39 1.06 0.00 0.00 176.91 177.40 3kly h VAL 193 N 0.35 0.00 0.00 -2.22 -1.51 -1.38 -3.36 116.25 108.13 3kly h VAL 193 Ca 0.08 -0.71 -0.21 0.00 -1.23 0.00 0.00 66.70 64.63 3kly h VAL 193 Cb 0.25 1.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 3kly h VAL 193 CO 0.01 0.00 -1.07 -0.07 -1.23 0.00 0.00 177.57 175.20 3kly h LEU 194 N 0.00 0.00 0.34 4.19 3.38 -1.09 -3.41 115.31 118.72 3kly h LEU 194 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kly h LEU 194 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3kly h LEU 194 CO 0.00 0.90 -0.16 0.40 0.09 0.00 0.00 178.44 179.67 3kly h ILE 195 N 0.00 0.68 -0.58 1.22 2.04 -1.68 -2.97 117.51 116.23 3kly h ILE 195 Ca -0.07 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 3kly h ILE 195 Cb 1.74 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 3kly h ILE 195 CO 0.11 0.06 0.02 -0.07 0.00 0.00 0.00 178.15 178.27 3kly h LEU 196 N -0.63 0.98 -0.98 1.44 3.38 -1.82 -1.20 115.31 116.48 3kly h LEU 196 Ca -0.05 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3kly h LEU 196 Cb 0.45 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3kly h LEU 196 CO 0.08 1.03 0.42 -0.65 0.09 0.00 0.00 178.44 179.41 3kly h PRO 197 N 0.89 1.14 -0.07 1.13 0.11 -1.79 0.80 132.00 134.21 3kly h PRO 197 Ca 0.17 -0.14 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 3kly h PRO 197 Cb 0.52 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3kly h PRO 197 CO 0.03 0.85 -0.10 0.28 -0.21 0.00 0.00 178.00 178.84 3kly h VAL 198 N 1.14 1.39 -0.84 3.15 2.07 -1.36 -2.01 116.25 119.78 3kly h VAL 198 Ca 0.28 -1.34 0.12 0.00 0.82 0.00 0.00 66.70 66.58 3kly h VAL 198 Cb 0.06 2.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3kly h VAL 198 CO -0.04 0.37 0.47 0.00 0.02 0.00 0.00 177.57 178.39 3kly h ALA 199 N 0.52 1.24 0.16 1.67 0.00 -1.06 -1.04 119.26 120.75 3kly h ALA 199 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kly h ALA 199 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kly h ALA 199 CO 0.02 0.02 -0.13 1.98 0.00 0.00 0.00 179.25 181.15 3kly h MET 200 N 0.73 -0.29 -0.52 0.00 -1.53 -0.77 -0.63 114.93 111.92 3kly h MET 200 Ca 0.43 0.02 -0.12 0.00 -3.44 0.00 0.00 59.70 56.59 3kly h MET 200 Cb 0.50 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.60 3kly h MET 200 CO -0.30 -0.20 -0.15 0.27 0.14 0.00 0.00 176.91 176.68 3kly h PHE 201 N -0.30 1.16 -0.01 1.39 -5.15 -0.81 -2.38 116.94 110.84 3kly h PHE 201 Ca -0.01 -0.26 -0.00 0.00 -0.20 0.00 0.00 57.97 57.51 3kly h PHE 201 Cb 0.27 -0.28 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 3kly h PHE 201 CO -0.11 1.09 -0.00 0.28 -2.00 0.00 0.00 178.31 177.56 3kly h VAL 202 N 0.89 1.30 0.00 0.88 2.07 -1.20 -1.77 116.25 118.42 3kly h VAL 202 Ca 0.13 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3kly h VAL 202 Cb 0.73 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3kly h VAL 202 CO 0.06 0.23 -0.04 0.77 0.02 0.00 0.00 177.57 178.61 3kly h SER 203 N -0.36 0.00 0.82 0.57 4.64 -1.14 -1.55 113.55 116.54 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 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3kly h SER 203 CO 0.00 0.04 -0.30 -1.20 -0.87 0.00 0.00 176.83 174.50 3kly n SER 204 N -3.65 0.38 -0.03 4.97 7.64 -0.90 -4.87 113.62 117.17 3kly n SER 204 Ca -0.03 0.15 -0.00 0.00 1.01 0.00 0.00 58.87 60.00 3kly n SER 204 Cb 0.13 -0.12 -0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.46 0.43 3.75 0.23 0.00 -0.58 -5.03 105.19 105.46 3kly n GLY 205 Ca 0.06 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.01 2.44 -0.22 1.61 0.08 -0.69 -4.98 117.98 114.21 3kly s PHE 206 Ca 0.00 1.49 -0.07 0.00 0.12 0.00 0.00 56.93 58.47 3kly s PHE 206 Cb 0.00 -3.54 -0.03 0.00 -0.57 0.00 0.00 43.02 38.87 3kly s PHE 206 CO 0.00 -2.27 0.06 -1.21 -0.10 0.00 0.00 175.22 171.70 3kly s GLU 207 N -3.12 3.75 -0.23 0.44 0.41 -0.70 -4.74 118.70 114.51 3kly s GLU 207 Ca 0.74 -0.44 -0.07 0.00 -0.41 0.00 0.00 54.97 54.78 3kly s GLU 207 Cb -0.33 -3.25 -0.03 0.00 -1.78 0.00 0.00 34.13 28.74 3kly s GLU 207 CO 0.37 -0.01 0.07 -1.58 -0.49 0.00 0.00 175.26 173.62 3kly s HIS 208 N 1.12 3.15 0.37 1.61 5.65 -1.26 -4.11 115.29 121.81 3kly s HIS 208 Ca 0.04 -0.20 0.04 0.00 0.25 0.00 0.00 55.06 55.19 3kly s HIS 208 Cb -0.14 -2.19 0.70 0.00 -1.18 0.00 0.00 32.58 29.77 3kly s HIS 208 CO 0.03 -0.16 2.01 0.00 -0.65 0.00 0.00 174.74 175.97 3kly h ILE 210 N 0.72 1.43 -0.95 0.00 1.08 -1.99 -2.70 117.51 115.10 3kly h ILE 210 Ca 0.19 -2.00 0.12 0.00 -0.39 0.00 0.00 64.86 62.78 3kly h ILE 210 Cb -0.03 2.53 -0.08 0.00 -3.07 0.00 0.00 36.82 36.17 3kly h ILE 210 CO -0.04 0.58 0.58 0.00 -0.69 0.00 0.00 178.15 178.59 3kly h ALA 211 N 0.34 1.43 0.00 1.87 0.00 -1.87 -0.75 119.26 120.28 3kly h ALA 211 Ca -0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3kly h ALA 211 Cb 1.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kly h ALA 211 CO 0.11 0.16 -0.24 -0.91 0.00 0.00 0.00 179.25 178.37 3kly h ASN 212 N 0.91 0.00 -0.17 0.00 2.35 -1.36 -1.78 115.58 115.54 3kly h ASN 212 Ca 0.48 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.21 3kly h ASN 212 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3kly h ASN 212 CO -0.28 0.24 0.07 0.24 -1.65 0.00 0.00 177.43 176.05 3kly h MET 213 N 0.00 0.32 0.00 0.81 2.86 -0.79 -1.70 114.93 116.43 3kly h MET 213 Ca -0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3kly h MET 213 Cb 0.46 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3kly h MET 213 CO 0.03 0.29 -0.04 0.35 1.06 0.00 0.00 176.91 178.60 3kly h PHE 214 N 0.32 0.00 0.13 -0.22 3.57 -1.38 -3.38 116.94 115.97 3kly h PHE 214 Ca 0.08 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3kly h PHE 214 Cb 0.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3kly h PHE 214 CO 0.00 0.88 -0.06 0.37 -2.23 0.00 0.00 178.31 177.27 3kly h GLN 215 N -1.00 -0.16 0.26 1.11 5.75 -1.15 0.08 115.11 119.99 3kly h GLN 215 Ca -0.01 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3kly h GLN 215 Cb 0.88 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.47 3kly h GLN 215 CO -0.01 0.17 -0.12 0.28 -2.65 0.00 0.00 178.83 176.50 3kly h VAL 216 N -0.52 0.79 -0.42 2.39 2.07 -1.58 -1.31 116.25 117.68 3kly h VAL 216 Ca -0.02 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.17 3kly h VAL 216 Cb 0.41 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3kly h VAL 216 CO 0.03 0.09 0.29 -0.65 0.02 0.00 0.00 177.57 177.34 3kly h PRO 217 N -0.55 0.28 -0.37 1.57 0.11 -1.72 -0.84 132.00 130.47 3kly h PRO 217 Ca -0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3kly h PRO 217 Cb 0.40 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3kly h PRO 217 CO 0.06 0.18 0.23 1.98 -0.21 0.00 0.00 178.00 180.24 3kly h MET 218 N 0.29 0.50 -0.43 1.05 4.05 -0.53 0.60 114.93 120.47 3kly h MET 218 Ca 0.19 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 3kly h MET 218 Cb 0.38 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 3kly h MET 218 CO -0.04 0.37 0.24 0.00 0.23 0.00 0.00 176.91 177.70 3kly h ALA 219 N 1.11 0.55 -0.75 0.39 0.00 -0.26 0.53 119.26 120.82 3kly h ALA 219 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kly h ALA 219 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3kly h ALA 219 CO -0.03 0.06 0.49 0.82 0.00 0.00 0.00 179.25 180.60 3kly h ILE 220 N 0.56 1.15 -0.16 0.00 2.04 -0.89 -0.97 117.51 119.24 3kly h ILE 220 Ca 0.15 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3kly h ILE 220 Cb 0.05 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3kly h ILE 220 CO -0.02 0.18 -0.05 1.23 0.00 0.00 0.00 178.15 179.48 3kly h GLY 221 N 0.96 0.34 0.36 5.37 0.00 -0.16 -2.73 103.07 107.21 3kly h GLY 221 Ca 0.29 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3kly h GLY 221 CO -0.07 0.26 -0.09 -2.22 0.00 0.00 0.00 176.54 174.42 3kly h ILE 222 N 0.00 0.66 -0.98 2.60 2.04 -0.56 0.13 117.51 121.41 3kly h ILE 222 Ca 0.04 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.12 3kly h ILE 222 Cb 0.50 0.66 -0.12 0.00 -0.74 0.00 0.00 36.82 37.12 3kly h ILE 222 CO 0.02 0.00 0.55 0.50 0.00 0.00 0.00 178.15 179.22 3kly h LYS 223 N -0.02 0.56 0.16 2.37 3.64 -1.08 -0.74 116.57 121.46 3kly h LYS 223 Ca 0.15 -0.03 -0.35 0.00 -1.27 0.00 0.00 60.65 59.14 3kly h LYS 223 Cb 0.25 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3kly h LYS 223 CO -0.32 0.37 -1.82 -0.92 -2.27 0.00 0.00 179.45 174.49 3kly h TYR 224 N 0.58 0.62 0.00 1.91 5.03 -1.11 -3.37 116.97 120.63 3kly h TYR 224 Ca 0.61 -0.46 0.00 0.00 2.58 0.00 0.00 58.73 61.46 3kly h TYR 224 Cb 1.11 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.37 3kly h TYR 224 CO -0.03 1.69 -0.41 1.19 -1.32 0.00 0.00 178.16 179.27 3kly n PHE 225 N -3.54 0.25 -2.08 -3.82 3.72 -0.02 -4.92 117.46 107.06 3kly n PHE 225 Ca -0.26 0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 3kly n PHE 225 Cb 1.07 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 39.10 3kly n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kly s ALA 226 N -3.06 3.66 0.87 4.37 0.00 -0.32 -5.00 121.76 122.28 3kly s ALA 226 Ca 0.10 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 3kly s ALA 226 Cb 0.16 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 19.82 3kly s ALA 226 CO 0.67 -0.70 1.16 -1.25 0.00 0.00 0.00 175.76 175.64 3kly s PRO 227 N 1.21 1.43 0.21 0.00 0.05 -1.26 -4.92 135.00 131.72 3kly s PRO 227 Ca 0.67 0.17 -0.10 0.00 0.05 0.00 0.00 61.00 61.79 3kly s PRO 227 Cb -0.39 -1.88 0.18 0.00 0.05 0.00 0.00 34.50 32.45 3kly s PRO 227 CO 0.30 -1.97 1.87 0.93 0.05 0.00 0.00 177.00 178.18 3kly h GLU 228 N -1.33 0.92 -0.38 4.56 4.39 -2.01 -1.46 114.58 119.27 3kly h GLU 228 Ca -0.48 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.27 3kly h GLU 228 Cb 1.33 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 3kly h GLU 228 CO 0.62 0.61 0.30 0.66 -1.16 0.00 0.00 179.01 180.04 3kly h SER 229 N 0.95 0.00 -0.18 1.42 4.64 -1.98 0.54 113.55 118.94 3kly h SER 229 Ca 0.28 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 3kly h SER 229 Cb -0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3kly h SER 229 CO -0.09 0.00 -0.02 0.15 -0.87 0.00 0.00 176.83 176.00 3kly h PHE 230 N 0.00 0.37 -0.35 4.77 3.04 -1.62 -0.15 116.94 122.99 3kly h PHE 230 Ca 0.18 -0.07 -0.14 0.00 3.98 0.00 0.00 57.97 61.92 3kly h PHE 230 Cb 0.77 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 3kly h PHE 230 CO 0.00 0.57 -0.33 -1.49 -2.02 0.00 0.00 178.31 175.03 3kly h TRP 231 N 0.06 0.92 0.05 0.41 4.06 -1.25 -2.26 115.95 117.94 3kly h TRP 231 Ca 0.05 -0.25 -0.00 0.00 2.06 0.00 0.00 58.89 60.74 3kly h TRP 231 Cb 0.43 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 3kly h TRP 231 CO 0.04 1.01 -0.02 0.00 -3.56 0.00 0.00 178.44 175.91 3kly h ALA 232 N 0.96 -0.06 0.00 1.49 0.00 -0.85 -1.43 119.26 119.37 3kly h ALA 232 Ca 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3kly h ALA 232 Cb 0.88 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kly h ALA 232 CO 0.08 -0.50 -0.35 0.00 0.00 0.00 0.00 179.25 178.48 3kly h MET 233 N -0.13 0.00 0.00 0.00 -0.00 -0.99 -2.92 114.93 110.90 3kly h MET 233 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3kly h MET 233 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 3kly h MET 233 CO 0.01 0.35 -0.57 0.25 -0.00 0.00 0.00 176.91 176.95 3kly n THR 234 N -3.45 0.33 -0.93 -0.10 -2.24 -0.86 -4.93 114.28 102.11 3kly n THR 234 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3kly n THR 234 Cb 0.52 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3kly n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kly n GLY 235 N 1.35 0.40 3.96 3.38 0.00 -0.57 -5.00 105.19 108.72 3kly n GLY 235 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.01 3.90 0.07 4.61 0.00 -1.04 -5.02 121.76 122.27 3kly s ALA 236 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3kly s ALA 236 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 3kly s ALA 236 CO 0.00 -0.33 -0.06 0.54 0.00 0.00 0.00 175.76 175.91 3kly s ASN 237 N -4.23 0.89 0.56 0.00 2.20 -1.26 -4.56 114.94 108.54 3kly s ASN 237 Ca 0.49 -0.81 0.32 0.00 -0.94 0.00 0.00 52.86 51.92 3kly s ASN 237 Cb -0.10 0.09 1.65 0.00 -2.00 0.00 0.00 41.25 40.89 3kly s ASN 237 CO 0.36 -0.38 2.13 -0.29 -2.94 0.00 0.00 177.10 175.98 3kly h ILE 238 N 3.65 0.36 0.00 0.54 2.10 -1.99 -1.68 117.51 120.49 3kly h ILE 238 Ca -0.35 -0.40 -0.02 0.00 1.08 0.00 0.00 64.86 65.18 3kly h ILE 238 Cb 1.18 1.29 -0.00 0.00 -1.09 0.00 0.00 36.82 38.19 3kly h ILE 238 CO 0.55 0.07 -0.08 0.00 -1.08 0.00 0.00 178.15 177.61 3kly h ALA 239 N 1.93 1.77 0.00 0.18 0.00 -2.01 -2.10 119.26 119.03 3kly h ALA 239 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kly h ALA 239 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kly h ALA 239 CO 0.01 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.40 3kly n GLN 240 N -4.30 0.55 -0.81 0.00 6.02 -0.63 -3.27 117.38 114.94 3kly n GLN 240 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.01 3kly n GLN 240 Cb 0.16 -1.43 0.08 0.00 1.02 0.00 0.00 30.24 30.07 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 -0.93 0.00 0.27 1.08 4.02 -0.79 -4.82 117.16 115.99 3kly n TYR 241 Ca 0.11 -0.73 0.10 0.00 -0.01 0.00 0.00 57.90 57.37 3kly n TYR 241 Cb 0.05 -0.15 0.71 0.00 -0.02 0.00 0.00 39.34 39.93 3kly n TYR 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kly h ALA 242 N 0.62 1.82 0.00 -0.72 0.00 -1.68 -0.66 119.26 118.63 3kly h ALA 242 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kly h ALA 242 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3kly h ALA 242 CO 0.04 0.02 0.00 0.38 0.00 0.00 0.00 179.25 179.69 3kly h ASP 243 N 0.00 0.00 -1.32 0.00 2.03 -1.89 -3.39 116.42 111.85 3kly h ASP 243 Ca -0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 3kly h ASP 243 Cb 0.03 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.42 3kly h ASP 243 CO 0.00 0.00 1.42 -0.22 -1.03 0.00 0.00 179.24 179.41 3kly s LEU 244 N -4.82 3.78 0.15 0.15 2.96 -0.26 -4.76 118.68 115.89 3kly s LEU 244 Ca 0.03 -1.60 -0.15 0.00 -0.22 0.00 0.00 54.13 52.19 3kly s LEU 244 Cb 0.09 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.27 3kly s LEU 244 CO 0.42 -1.42 0.41 0.54 -1.32 0.00 0.00 176.35 174.99 3kly s ASN 245 N 4.71 -0.20 0.20 3.68 2.20 -1.26 -4.85 114.94 119.42 3kly s ASN 245 Ca 0.44 -0.43 -0.09 0.00 -0.94 0.00 0.00 52.86 51.83 3kly s ASN 245 Cb -0.01 0.49 0.12 0.00 -2.00 0.00 0.00 41.25 39.86 3kly s ASN 245 CO -0.09 -0.91 1.76 -0.26 -2.94 0.00 0.00 177.10 174.66 3kly h PHE 246 N 2.35 1.10 -0.43 1.54 0.04 -1.98 -1.56 116.94 118.00 3kly h PHE 246 Ca -0.32 -0.08 0.07 0.00 2.80 0.00 0.00 57.97 60.43 3kly h PHE 246 Cb 1.25 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 39.01 3kly h PHE 246 CO 0.34 0.85 0.08 0.28 -0.60 0.00 0.00 178.31 179.26 3kly h VAL 247 N 1.03 0.76 -0.69 -0.55 2.07 -1.97 0.11 116.25 117.01 3kly h VAL 247 Ca 0.24 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 3kly h VAL 247 Cb 0.22 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3kly h VAL 247 CO -0.02 0.04 0.33 0.78 0.02 0.00 0.00 177.57 178.72 3kly h ASN 248 N 0.21 0.90 0.60 0.57 2.35 -1.78 -1.89 115.58 116.53 3kly h ASN 248 Ca 0.21 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3kly h ASN 248 Cb 0.27 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3kly h ASN 248 CO -0.29 0.78 -0.32 0.15 -1.65 0.00 0.00 177.43 176.10 3kly h PHE 249 N 0.95 -0.84 0.07 1.19 3.57 -0.42 0.82 116.94 122.28 3kly h PHE 249 Ca 0.24 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3kly h PHE 249 Cb 0.12 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3kly h PHE 249 CO 0.01 -0.50 -0.03 0.82 -2.23 0.00 0.00 178.31 176.37 3kly h ILE 250 N -0.85 1.10 -0.04 1.41 2.04 -0.99 0.22 117.51 120.40 3kly h ILE 250 Ca -0.08 -0.57 -0.15 0.00 1.00 0.00 0.00 64.86 65.06 3kly h ILE 250 Cb 0.67 1.47 0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3kly h ILE 250 CO 0.11 0.14 -0.55 0.58 0.00 0.00 0.00 178.15 178.43 3kly h VAL 251 N -0.35 1.41 0.00 1.67 2.07 -1.41 -1.47 116.25 118.17 3kly h VAL 251 Ca -0.01 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.54 3kly h VAL 251 Cb 0.30 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3kly h VAL 251 CO 0.02 0.58 -0.67 0.78 0.02 0.00 0.00 177.57 178.30 3kly h ASN 252 N -0.03 0.00 0.00 0.57 2.35 -0.92 -3.42 115.58 114.13 3kly h ASN 252 Ca -0.06 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3kly h ASN 252 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3kly h ASN 252 CO 0.11 0.01 0.00 -3.20 -1.65 0.00 0.00 177.43 172.70 3kly n ASN 253 N -2.73 0.57 -0.10 5.81 5.15 -0.21 -4.71 115.26 119.05 3kly n ASN 253 Ca 0.02 0.20 -0.06 0.00 -0.60 0.00 0.00 54.58 54.14 3kly n ASN 253 Cb 0.53 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 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 -0.29 0.83 1.20 7.12 -0.57 0.20 115.31 123.81 3kly h LEU 254 Ca 0.00 0.10 -0.04 0.00 0.13 0.00 0.00 57.88 58.07 3kly h LEU 254 Cb 0.00 0.20 0.01 0.00 -0.53 0.00 0.00 40.66 40.34 3kly h LEU 254 CO 0.00 -0.10 -0.40 0.40 -0.13 0.00 0.00 178.44 178.21 3kly h ILE 255 N 0.02 0.18 -0.77 4.05 2.04 -1.51 -0.02 117.51 121.49 3kly h ILE 255 Ca 0.16 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 3kly h ILE 255 Cb 0.25 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 3kly h ILE 255 CO -0.34 0.00 0.28 -0.65 0.00 0.00 0.00 178.15 177.44 3kly h PRO 256 N -1.12 1.17 0.07 2.37 0.11 -1.78 -2.24 132.00 130.58 3kly h PRO 256 Ca -0.11 -0.23 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kly h PRO 256 Cb 0.86 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3kly h PRO 256 CO 0.19 0.97 -0.03 0.28 -0.21 0.00 0.00 178.00 179.19 3kly h VAL 257 N 1.13 1.10 -0.80 3.15 2.07 -0.95 -2.00 116.25 119.94 3kly h VAL 257 Ca 0.25 -0.58 0.14 0.00 0.82 0.00 0.00 66.70 67.34 3kly h VAL 257 Cb 0.26 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 31.41 3kly h VAL 257 CO -0.01 0.14 0.37 0.74 0.02 0.00 0.00 177.57 178.83 3kly h THR 258 N -0.35 0.70 -0.73 2.57 2.02 -0.94 -0.02 112.91 116.15 3kly h THR 258 Ca -0.01 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3kly h THR 258 Cb 0.31 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3kly h THR 258 CO 0.02 0.10 0.37 -0.07 0.37 0.00 0.00 175.52 176.30 3kly h LEU 259 N 0.54 0.94 -0.25 2.58 3.38 -1.29 -1.56 115.31 119.65 3kly h LEU 259 Ca 0.44 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3kly h LEU 259 Cb 0.64 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kly h LEU 259 CO -0.38 0.79 0.12 1.23 0.09 0.00 0.00 178.44 180.29 3kly h GLY 260 N 1.01 0.38 0.69 0.83 0.00 -0.44 -1.44 103.07 104.10 3kly h GLY 260 Ca 0.25 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.45 3kly h GLY 260 CO -0.04 0.18 0.48 3.43 0.00 0.00 0.00 176.54 180.60 3kly h ASN 261 N 0.27 0.75 0.31 0.19 2.35 -0.78 0.16 115.58 118.82 3kly h ASN 261 Ca 0.08 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3kly h ASN 261 Cb 0.13 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kly h ASN 261 CO -0.01 0.47 -0.15 0.40 -1.65 0.00 0.00 177.43 176.49 3kly h ILE 262 N 0.88 0.72 -0.88 2.81 2.04 -1.05 -1.62 117.51 120.41 3kly h ILE 262 Ca 0.36 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.92 3kly h ILE 262 Cb 0.19 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 3kly h ILE 262 CO -0.18 0.08 0.57 0.58 0.00 0.00 0.00 178.15 179.20 3kly h VAL 263 N -0.62 1.00 -0.79 1.67 2.07 -1.07 -0.52 116.25 117.98 3kly h VAL 263 Ca -0.04 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3kly h VAL 263 Cb 0.45 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3kly h VAL 263 CO 0.07 0.17 0.49 1.23 0.02 0.00 0.00 177.57 179.55 3kly h GLY 264 N 0.91 1.14 2.00 2.17 0.00 -0.36 -1.16 103.07 107.76 3kly h GLY 264 Ca 0.40 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3kly h GLY 264 CO -0.16 0.45 -0.65 -1.33 0.00 0.00 0.00 176.54 174.85 3kly h GLY 265 N 1.08 0.00 0.92 4.60 0.00 -0.81 -3.03 103.07 105.82 3kly h GLY 265 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 3kly h GLY 265 CO -0.06 0.00 0.10 -1.33 0.00 0.00 0.00 176.54 175.25 3kly h GLY 266 N 2.86 0.58 0.86 4.60 0.00 -0.61 -1.49 103.07 109.88 3kly h GLY 266 Ca -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3kly h GLY 266 CO 0.08 0.33 -0.15 -2.08 0.00 0.00 0.00 176.54 174.72 3kly h VAL 267 N 0.40 0.67 -0.31 4.60 2.07 -1.28 -0.79 116.25 121.61 3kly h VAL 267 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 3kly h VAL 267 Cb 0.28 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3kly h VAL 267 CO -0.00 0.00 0.07 0.15 0.02 0.00 0.00 177.57 177.80 3kly h PHE 268 N -0.36 0.11 -0.17 1.57 3.04 -1.45 0.88 116.94 120.56 3kly h PHE 268 Ca -0.01 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 3kly h PHE 268 Cb 0.32 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 3kly h PHE 268 CO -0.11 0.03 0.01 0.28 -2.02 0.00 0.00 178.31 176.50 3kly h VAL 269 N 0.18 1.24 -0.87 1.41 2.07 -1.24 0.17 116.25 119.21 3kly h VAL 269 Ca 0.14 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.98 3kly h VAL 269 Cb 0.15 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3kly h VAL 269 CO -0.19 0.23 0.51 1.23 0.02 0.00 0.00 177.57 179.38 3kly h GLY 270 N 0.05 1.36 0.99 2.17 0.00 -0.90 0.49 103.07 107.23 3kly h GLY 270 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3kly h GLY 270 CO 0.01 0.15 -0.02 1.98 0.00 0.00 0.00 176.54 178.66 3kly h MET 271 N 0.85 -0.05 -0.33 4.80 -1.53 -0.53 -0.89 114.93 117.26 3kly h MET 271 Ca 0.42 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.74 3kly h MET 271 Cb 0.37 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.38 3kly h MET 271 CO -0.25 -0.02 -0.00 2.35 0.14 0.00 0.00 176.91 179.13 3kly h TRP 272 N -0.06 -0.03 -0.38 1.39 7.01 0.35 -1.84 115.95 122.40 3kly h TRP 272 Ca -0.01 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.05 3kly h TRP 272 Cb 0.05 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 3kly h TRP 272 CO -0.07 -0.06 0.17 -0.92 -2.79 0.00 0.00 178.44 174.77 3kly h TYR 273 N 0.09 0.32 -0.79 2.65 5.03 0.16 -2.48 116.97 121.96 3kly h TYR 273 Ca 0.16 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 3kly h TYR 273 Cb 0.21 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.37 3kly h TYR 273 CO -0.24 0.16 0.43 -1.49 -1.32 0.00 0.00 178.16 175.71 3kly h TRP 274 N 0.36 1.07 0.00 -3.82 4.06 -0.81 -1.24 115.95 115.57 3kly h TRP 274 Ca 0.16 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.05 3kly h TRP 274 Cb 0.09 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 3kly h TRP 274 CO -0.11 0.74 -0.19 -0.07 -3.56 0.00 0.00 178.44 175.24 3kly h LEU 275 N 1.10 0.00 0.00 -4.49 3.38 -1.00 -1.30 115.31 113.00 3kly h LEU 275 Ca 0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.04 3kly h LEU 275 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3kly h LEU 275 CO -0.05 0.19 -1.05 0.40 0.09 0.00 0.00 178.44 178.03 3kly h ILE 276 N 0.00 1.52 0.00 1.22 1.08 -0.95 -3.27 117.51 117.11 3kly h ILE 276 Ca -0.00 -3.21 -0.07 0.00 -0.39 0.00 0.00 64.86 61.18 3kly h ILE 276 Cb 0.61 2.75 -0.01 0.00 -3.07 0.00 0.00 36.82 37.10 3kly h ILE 276 CO 0.03 0.86 -0.35 0.22 -0.69 0.00 0.00 178.15 178.22 3kly h TYR 277 N 0.00 0.00 -0.02 1.37 5.03 -0.18 -3.52 116.97 119.65 3kly h TYR 277 Ca -0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.26 3kly h TYR 277 Cb 1.76 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.04 3kly h TYR 277 CO 0.00 0.35 0.00 1.28 -1.32 0.00 0.00 178.16 178.47