#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aij h LEU 12 N 0.00 0.28 -1.69 -2.67 7.12 -2.05 -2.36 115.31 113.93 1aij h LEU 12 Ca 0.00 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.03 1aij h LEU 12 Cb 0.00 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.06 1aij h LEU 12 CO 0.00 0.20 0.22 0.00 -0.13 0.00 0.00 178.44 178.73 1aij h ALA 13 N 1.14 1.80 -0.31 1.25 0.00 -2.06 -0.23 119.26 120.86 1aij h ALA 13 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1aij h ALA 13 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1aij h ALA 13 CO -0.07 0.18 -0.14 0.77 0.00 0.00 0.00 179.25 179.99 1aij h SER 14 N 0.42 0.66 -0.44 0.00 0.02 -1.93 -1.95 113.55 110.32 1aij h SER 14 Ca 0.13 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1aij h SER 14 Cb -0.00 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1aij h SER 14 CO -0.03 0.92 0.11 0.25 -1.14 0.00 0.00 176.83 176.94 1aij h LEU 15 N 0.40 0.67 0.15 5.07 5.85 -0.90 -2.57 115.31 123.97 1aij h LEU 15 Ca 0.07 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1aij h LEU 15 Cb 0.67 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1aij h LEU 15 CO 0.04 0.72 -0.23 0.00 -0.34 0.00 0.00 178.44 178.63 1aij h ALA 16 N 0.97 -0.42 -0.26 1.25 0.00 -0.94 -0.28 119.26 119.59 1aij h ALA 16 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1aij h ALA 16 Cb 0.31 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1aij h ALA 16 CO 0.00 -0.77 -0.15 0.97 0.00 0.00 0.00 179.25 179.30 1aij h ILE 17 N -0.45 1.23 -0.28 0.00 6.09 -1.36 -0.26 117.51 122.49 1aij h ILE 17 Ca 0.02 -1.02 -0.01 0.00 -1.37 0.00 0.00 64.86 62.48 1aij h ILE 17 Cb 0.46 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.93 1aij h ILE 17 CO -0.11 0.33 0.14 0.22 -3.07 0.00 0.00 178.15 175.66 1aij h TYR 18 N 0.40 0.40 -0.86 2.19 3.20 -1.06 -2.11 116.97 119.13 1aij h TYR 18 Ca 0.07 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1aij h TYR 18 Cb 0.50 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1aij h TYR 18 CO 0.01 0.35 0.47 0.77 -1.64 0.00 0.00 178.16 178.12 1aij h SER 19 N 0.33 1.07 -0.15 -2.11 0.02 -0.39 -2.73 113.55 109.59 1aij h SER 19 Ca 0.10 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1aij h SER 19 Cb 0.10 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1aij h SER 19 CO -0.01 0.86 0.08 0.15 -1.14 0.00 0.00 176.83 176.77 1aij h PHE 20 N 1.20 0.15 -0.01 3.45 3.57 -0.67 -0.44 116.94 124.19 1aij h PHE 20 Ca 0.30 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1aij h PHE 20 Cb 0.03 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1aij h PHE 20 CO 0.01 0.09 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.57 1aij h TRP 21 N 0.17 0.02 -0.01 0.41 4.06 -1.12 0.44 115.95 119.92 1aij h TRP 21 Ca 0.06 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.00 1aij h TRP 21 Cb 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1aij h TRP 21 CO -0.08 0.14 -0.00 0.82 -3.56 0.00 0.00 178.44 175.75 1aij h ILE 22 N 0.02 1.28 -0.14 1.49 1.08 -1.09 -1.46 117.51 118.69 1aij h ILE 22 Ca 0.00 -0.84 0.04 0.00 -0.39 0.00 0.00 64.86 63.68 1aij h ILE 22 Cb 0.22 1.84 -0.04 0.00 -3.07 0.00 0.00 36.82 35.77 1aij h ILE 22 CO 0.02 0.22 -0.11 0.15 -0.69 0.00 0.00 178.15 177.73 1aij h PHE 23 N -0.34 -0.28 -0.98 1.37 3.57 -0.52 -1.92 116.94 117.85 1aij h PHE 23 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1aij h PHE 23 Cb 0.36 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1aij h PHE 23 CO 0.05 -0.17 0.65 1.25 -2.23 0.00 0.00 178.31 177.85 1aij h LEU 24 N -0.13 1.10 -0.73 0.59 5.85 -0.88 0.24 115.31 121.35 1aij h LEU 24 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1aij h LEU 24 Cb 0.26 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1aij h LEU 24 CO -0.21 0.78 0.44 0.00 -0.34 0.00 0.00 178.44 179.10 1aij h ALA 25 N 1.38 0.94 -0.30 1.25 0.00 -0.91 -1.32 119.26 120.29 1aij h ALA 25 Ca 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1aij h ALA 25 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1aij h ALA 25 CO -0.10 0.41 0.11 0.78 0.00 0.00 0.00 179.25 180.45 1aij h GLY 26 N 1.00 0.49 1.02 0.00 0.00 -0.36 -2.40 103.07 102.82 1aij h GLY 26 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1aij h GLY 26 CO -0.05 0.26 0.37 -2.00 0.00 0.00 0.00 176.54 175.12 1aij h LEU 27 N 0.33 0.97 -0.83 3.11 5.85 -0.31 -1.11 115.31 123.32 1aij h LEU 27 Ca 0.10 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1aij h LEU 27 Cb 0.21 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1aij h LEU 27 CO -0.01 0.82 -0.08 0.40 -0.34 0.00 0.00 178.44 179.23 1aij h ILE 28 N 1.05 1.25 -0.06 4.05 2.04 -1.14 0.79 117.51 125.48 1aij h ILE 28 Ca 0.26 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 1aij h ILE 28 Cb 0.10 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1aij h ILE 28 CO -0.04 0.39 0.04 0.22 0.00 0.00 0.00 178.15 178.76 1aij h TYR 29 N 0.71 0.08 0.12 1.37 3.20 -0.88 -0.83 116.97 120.74 1aij h TYR 29 Ca 0.13 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1aij h TYR 29 Cb 0.56 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1aij h TYR 29 CO 0.03 0.08 -0.26 -0.92 -1.64 0.00 0.00 178.16 175.46 1aij h TYR 30 N 0.06 -0.68 -0.73 -3.82 3.20 -0.86 -1.55 116.97 112.59 1aij h TYR 30 Ca 0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1aij h TYR 30 Cb 0.02 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1aij h TYR 30 CO -0.06 -0.36 0.47 -0.07 -1.64 0.00 0.00 178.16 176.50 1aij h LEU 31 N -0.46 0.79 -0.39 2.82 3.38 -0.65 -0.28 115.31 120.52 1aij h LEU 31 Ca 0.03 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1aij h LEU 31 Cb 0.49 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1aij h LEU 31 CO -0.15 0.56 -0.61 -0.61 0.09 0.00 0.00 178.44 177.73 1aij h GLN 32 N 0.94 0.66 -0.57 1.13 5.75 -1.05 -1.55 115.11 120.42 1aij h GLN 32 Ca 0.28 -0.45 -0.08 0.00 -0.15 0.00 0.00 58.65 58.24 1aij h GLN 32 Cb -0.05 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1aij h GLN 32 CO -0.08 1.07 0.03 1.79 -2.65 0.00 0.00 178.83 178.99 1aij h THR 33 N 0.49 1.26 -0.69 2.39 1.35 -0.94 -1.91 112.91 114.87 1aij h THR 33 Ca -0.00 -1.08 0.11 0.00 -0.55 0.00 0.00 66.41 64.88 1aij h THR 33 Cb 1.19 0.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 1aij h THR 33 CO 0.12 0.39 0.46 -0.08 -0.25 0.00 0.00 175.52 176.16 1aij h GLU 34 N 0.88 0.50 -0.50 4.72 4.57 -0.90 -0.66 114.58 123.20 1aij h GLU 34 Ca 0.17 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1aij h GLU 34 Cb 0.50 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1aij h GLU 34 CO 0.02 0.33 0.00 0.09 -1.18 0.00 0.00 179.01 178.28 1aij n ASN 35 N -4.48 2.05 -0.88 1.04 3.02 -0.60 -3.40 115.26 112.00 1aij n ASN 35 Ca 0.12 -2.14 0.07 0.00 -0.03 0.00 0.00 54.58 52.60 1aij n ASN 35 Cb 0.38 -0.34 0.22 0.00 -0.61 0.00 0.00 39.78 39.43 1aij n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1aij n MET 36 N 0.31 2.98 0.00 3.52 2.81 -0.25 -4.54 117.12 121.94 1aij n MET 36 Ca 0.10 -2.36 0.08 0.00 -1.81 0.00 0.00 57.70 53.71 1aij n MET 36 Cb 0.39 -1.48 0.36 0.00 -0.71 0.00 0.00 33.22 31.78 1aij n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1aij n ARG 37 N 0.55 0.06 -4.24 0.03 1.74 -1.22 -4.15 116.66 109.43 1aij n ARG 37 Ca 0.17 0.20 -0.18 0.00 -0.77 0.00 0.00 57.85 57.27 1aij n ARG 37 Cb 0.59 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.40 1aij n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1aij s GLU 38 N -2.89 0.74 0.00 5.56 0.41 -1.26 -4.32 118.70 116.95 1aij s GLU 38 Ca 0.10 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.99 1aij s GLU 38 Cb 0.11 -0.69 0.00 0.00 -1.78 0.00 0.00 34.13 31.77 1aij s GLU 38 CO 0.28 0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 1aij n GLY 39 N 1.94 2.91 3.54 -1.39 0.00 -1.26 -5.01 105.19 105.93 1aij n GLY 39 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1aij n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aij s TYR 40 N -2.35 2.92 0.54 1.61 1.51 -1.26 -4.21 117.35 116.10 1aij s TYR 40 Ca 0.00 -0.09 -0.19 0.00 -1.01 0.00 0.00 57.07 55.78 1aij s TYR 40 Cb 0.00 -1.75 -0.06 0.00 -0.11 0.00 0.00 41.96 40.04 1aij s TYR 40 CO 0.00 0.22 1.08 -2.14 -1.11 0.00 0.00 175.55 173.60 1aij s PRO 41 N -0.54 3.48 0.43 -1.71 0.02 -1.26 -4.81 135.00 130.62 1aij s PRO 41 Ca 0.08 1.44 -0.23 0.00 0.02 0.00 0.00 61.00 62.32 1aij s PRO 41 Cb -0.12 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 1aij s PRO 41 CO 0.02 -0.71 1.06 -0.51 -0.33 0.00 0.00 177.00 176.53 1aij s LEU 42 N -3.85 4.03 0.21 -5.54 1.43 -1.26 -4.98 118.68 108.72 1aij s LEU 42 Ca 0.69 2.03 0.10 0.00 -1.03 0.00 0.00 54.13 55.92 1aij s LEU 42 Cb -0.20 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1aij s LEU 42 CO 0.27 -0.64 -0.19 -1.61 0.23 0.00 0.00 176.35 174.41 1aij s GLU 43 N -2.75 1.44 0.74 1.70 2.02 -1.26 -1.34 118.70 119.25 1aij s GLU 43 Ca 0.61 -1.57 -0.11 0.00 0.02 0.00 0.00 54.97 53.92 1aij s GLU 43 Cb -0.21 -1.49 0.04 0.00 0.10 0.00 0.00 34.13 32.58 1aij s GLU 43 CO 0.26 0.29 1.12 -0.80 0.02 0.00 0.00 175.26 176.14 1aij s ASN 44 N -3.06 5.04 0.00 -0.19 0.01 0.34 -4.62 114.94 112.45 1aij s ASN 44 Ca 0.22 0.93 0.00 0.00 -0.71 0.00 0.00 52.86 53.31 1aij s ASN 44 Cb -0.05 -1.61 0.02 0.00 0.41 0.00 0.00 41.25 40.02 1aij s ASN 44 CO 0.10 -1.57 0.14 -0.62 -1.51 0.00 0.00 177.10 173.64 1aij n GLU 45 N -3.11 0.05 -0.36 -0.60 1.02 -1.26 -1.34 120.64 115.05 1aij n GLU 45 Ca 0.07 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.25 1aij n GLU 45 Cb 0.59 -1.09 0.05 0.00 -0.02 0.00 0.00 31.44 30.98 1aij n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1aij n ASP 46 N -0.59 0.89 0.00 1.62 5.75 -1.26 -5.01 116.55 117.95 1aij n ASP 46 Ca 0.00 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1aij n ASP 46 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1aij n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aij n GLY 47 N -0.53 3.10 3.76 6.12 0.00 -0.45 -5.03 105.19 112.17 1aij n GLY 47 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1aij n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aij s THR 48 N -1.67 2.96 0.23 2.61 -4.23 -1.26 -4.69 115.64 109.59 1aij s THR 48 Ca 0.00 0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 60.75 1aij s THR 48 Cb 0.00 -3.17 -0.11 0.00 1.34 0.00 0.00 72.50 70.56 1aij s THR 48 CO 0.00 -0.17 1.66 -2.84 -0.54 0.00 0.00 174.62 172.72 1aij s PRO 49 N -3.52 4.14 0.40 3.99 0.02 -1.26 -0.50 135.00 138.26 1aij s PRO 49 Ca 0.73 2.56 -0.25 0.00 0.02 0.00 0.00 61.00 64.06 1aij s PRO 49 Cb -0.25 -3.07 -0.09 0.00 0.02 0.00 0.00 34.50 31.11 1aij s PRO 49 CO 0.33 -0.69 1.11 0.00 -0.33 0.00 0.00 177.00 177.43 1aij s ALA 50 N 0.77 3.12 0.14 -1.55 0.00 -0.45 -4.61 121.76 119.18 1aij s ALA 50 Ca 0.70 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 1aij s ALA 50 Cb -0.48 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.30 1aij s ALA 50 CO 0.37 -0.39 1.59 0.00 0.00 0.00 0.00 175.76 177.33 1aij h ALA 51 N 2.59 0.59 -2.01 0.00 0.00 -1.92 -3.40 119.26 115.11 1aij h ALA 51 Ca -0.48 -0.26 -0.65 0.00 0.00 0.00 0.00 54.91 53.51 1aij h ALA 51 Cb 1.23 -0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1aij h ALA 51 CO 0.62 0.37 0.25 1.21 0.00 0.00 0.00 179.25 181.70 1aij s ASN 52 N -6.25 6.29 0.00 0.00 2.47 -1.26 -4.86 114.94 111.33 1aij s ASN 52 Ca -0.13 -0.59 0.23 0.00 0.42 0.00 0.00 52.86 52.79 1aij s ASN 52 Cb 0.11 -2.35 0.50 0.00 -1.45 0.00 0.00 41.25 38.06 1aij s ASN 52 CO 0.80 -0.98 1.44 0.00 -3.72 0.00 0.00 177.10 174.64 1aij n GLN 53 N 6.64 2.48 -0.48 0.43 1.13 -1.26 -4.93 117.38 121.38 1aij n GLN 53 Ca -0.03 -2.25 0.07 0.00 -1.94 0.00 0.00 57.00 52.85 1aij n GLN 53 Cb 0.47 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.29 1aij n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aij n GLY 54 N 1.51 -1.60 0.36 1.08 0.00 -1.26 -4.55 105.19 100.72 1aij n GLY 54 Ca 0.20 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.96 1aij n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aij n PRO 55 N -2.26 1.49 -4.54 1.61 -0.04 -1.26 -4.81 135.00 125.19 1aij n PRO 55 Ca 0.00 -0.72 -0.33 0.00 -0.04 0.00 0.00 63.50 62.41 1aij n PRO 55 Cb 0.22 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 1aij n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1aij s PHE 56 N -1.98 2.95 0.72 0.54 0.08 -1.26 -5.11 117.98 113.92 1aij s PHE 56 Ca 0.40 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 1aij s PHE 56 Cb 0.21 -1.89 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1aij s PHE 56 CO 0.33 -0.03 1.10 -1.25 -0.10 0.00 0.00 175.22 175.27 1aij s PRO 57 N 0.19 2.70 0.25 0.24 0.04 -1.26 -5.04 135.00 132.12 1aij s PRO 57 Ca -0.04 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 1aij s PRO 57 Cb -0.14 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1aij s PRO 57 CO 0.04 -1.15 1.21 -0.51 0.04 0.00 0.00 177.00 176.63 1aij s LEU 58 N -5.43 4.47 0.78 -3.56 1.43 -1.26 -4.77 118.68 110.34 1aij s LEU 58 Ca 0.59 2.37 -0.13 0.00 -1.03 0.00 0.00 54.13 55.94 1aij s LEU 58 Cb -0.12 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.55 1aij s LEU 58 CO 0.52 -0.36 1.15 -2.16 0.23 0.00 0.00 176.35 175.73 1aij s PRO 59 N -0.94 1.97 0.61 1.29 0.04 -1.26 -5.02 135.00 131.68 1aij s PRO 59 Ca 0.50 1.50 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 1aij s PRO 59 Cb -0.35 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1aij s PRO 59 CO 0.42 -1.91 1.09 -1.59 0.04 0.00 0.00 177.00 175.05 1aij s LYS 60 N -4.38 3.13 0.55 4.56 -2.85 -1.26 -4.60 119.74 114.89 1aij s LYS 60 Ca 0.68 1.36 -0.21 0.00 -1.00 0.00 0.00 55.97 56.80 1aij s LYS 60 Cb -0.23 -2.00 -0.05 0.00 -2.06 0.00 0.00 37.83 33.49 1aij s LYS 60 CO 0.51 -0.98 1.23 -2.14 0.10 0.00 0.00 175.35 174.07 1aij s PRO 61 N -3.90 3.21 0.13 1.78 0.02 -1.26 -4.72 135.00 130.26 1aij s PRO 61 Ca 0.67 1.91 0.09 0.00 0.02 0.00 0.00 61.00 63.69 1aij s PRO 61 Cb -0.19 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 1aij s PRO 61 CO 0.36 -1.04 -0.22 -1.59 -0.33 0.00 0.00 177.00 174.19 1aij s LYS 62 N -3.07 1.24 -0.09 5.54 -2.85 -0.50 -4.97 119.74 115.05 1aij s LYS 62 Ca 0.73 -1.29 0.02 0.00 -1.00 0.00 0.00 55.97 54.43 1aij s LYS 62 Cb -0.32 -1.50 0.02 0.00 -2.06 0.00 0.00 37.83 33.96 1aij s LYS 62 CO 0.37 0.34 -0.13 0.99 0.10 0.00 0.00 175.35 177.02 1aij s THR 63 N -1.40 1.24 -0.17 3.79 2.01 -1.26 -1.86 115.64 117.98 1aij s THR 63 Ca 0.11 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 1aij s THR 63 Cb -0.09 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1aij s THR 63 CO 0.06 0.39 0.39 -0.36 -0.69 0.00 0.00 174.62 174.40 1aij s PHE 64 N 0.91 3.43 -0.40 4.92 0.08 0.55 -4.93 117.98 122.55 1aij s PHE 64 Ca -0.09 0.68 -0.21 0.00 0.12 0.00 0.00 56.93 57.42 1aij s PHE 64 Cb -0.15 -2.48 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1aij s PHE 64 CO 0.01 0.10 0.67 0.42 -0.10 0.00 0.00 175.22 176.32 1aij s ILE 65 N 0.90 4.82 0.03 0.64 1.01 -1.26 -1.47 121.20 125.86 1aij s ILE 65 Ca 0.20 0.41 -0.21 0.00 0.00 0.00 0.00 60.65 61.04 1aij s ILE 65 Cb -0.14 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 1aij s ILE 65 CO 0.07 -0.48 0.63 -0.76 0.00 0.00 0.00 174.94 174.40 1aij s LEU 66 N 2.86 4.45 0.87 2.97 1.43 -0.22 -5.01 118.68 126.02 1aij s LEU 66 Ca 0.25 1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 54.50 1aij s LEU 66 Cb -0.14 -2.99 0.11 0.00 0.03 0.00 0.00 46.19 43.21 1aij s LEU 66 CO 0.18 0.12 1.11 -2.84 0.23 0.00 0.00 176.35 175.15 1aij s PRO 67 N -0.37 1.46 -1.46 1.29 0.02 -1.26 -4.03 135.00 130.64 1aij s PRO 67 Ca 0.32 1.30 -0.10 0.00 0.02 0.00 0.00 61.00 62.55 1aij s PRO 67 Cb -0.19 -1.80 0.06 0.00 0.02 0.00 0.00 34.50 32.59 1aij s PRO 67 CO 0.19 -2.25 0.91 0.72 -0.33 0.00 0.00 177.00 176.24 1aij n HIS 68 N -3.95 -2.21 -2.57 6.54 8.25 -1.26 -3.06 115.22 116.97 1aij n HIS 68 Ca 0.10 0.89 -0.12 0.00 -0.26 0.00 0.00 57.72 58.33 1aij n HIS 68 Cb 0.53 -4.14 0.01 0.00 1.12 0.00 0.00 29.99 27.52 1aij n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aij n GLY 69 N -1.68 0.01 1.07 -1.41 0.00 -1.26 -4.92 105.19 97.00 1aij n GLY 69 Ca -0.06 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.76 1aij n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aij n ARG 70 N -2.41 2.42 0.00 1.61 5.12 -1.17 -5.07 116.66 117.16 1aij n ARG 70 Ca -0.08 -2.12 0.00 0.00 -1.93 0.00 0.00 57.85 53.72 1aij n ARG 70 Cb 0.57 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 1aij n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aij n GLY 71 N 1.45 -0.01 3.13 -0.13 0.00 -1.26 -4.84 105.19 103.52 1aij n GLY 71 Ca 0.18 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 1aij n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aij s THR 72 N 0.00 0.35 -0.08 2.61 -4.23 -1.26 -1.06 115.64 111.97 1aij s THR 72 Ca 0.00 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1aij s THR 72 Cb 0.00 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.17 1aij s THR 72 CO 0.00 -0.85 -0.08 -0.22 -0.54 0.00 0.00 174.62 172.93 1aij s LEU 73 N -2.99 1.38 -0.17 4.79 1.98 -0.54 -4.93 118.68 118.19 1aij s LEU 73 Ca 0.12 -0.25 0.01 0.00 -2.89 0.00 0.00 54.13 51.12 1aij s LEU 73 Cb 0.07 -0.73 0.01 0.00 0.66 0.00 0.00 46.19 46.20 1aij s LEU 73 CO -0.06 -0.04 -0.18 -0.89 -1.89 0.00 0.00 176.35 173.29 1aij s THR 74 N 1.10 2.34 -0.01 3.68 2.01 -1.26 -0.33 115.64 123.17 1aij s THR 74 Ca -0.07 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1aij s THR 74 Cb -0.14 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 1aij s THR 74 CO -0.01 0.52 -0.11 0.68 -0.69 0.00 0.00 174.62 175.01 1aij s VAL 75 N 1.10 0.87 0.87 3.82 -7.23 -0.78 -4.20 120.40 114.86 1aij s VAL 75 Ca 0.00 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 59.60 1aij s VAL 75 Cb -0.14 -0.73 0.12 0.00 0.56 0.00 0.00 36.38 36.19 1aij s VAL 75 CO -0.07 0.25 1.11 -2.84 -0.31 0.00 0.00 175.10 173.24 1aij s PRO 76 N -0.22 1.40 0.24 4.82 0.02 -1.26 -1.40 135.00 138.60 1aij s PRO 76 Ca 0.04 1.23 -0.21 0.00 0.02 0.00 0.00 61.00 62.08 1aij s PRO 76 Cb -0.05 -1.80 0.06 0.00 0.02 0.00 0.00 34.50 32.74 1aij s PRO 76 CO -0.00 -2.26 0.93 0.20 -0.33 0.00 0.00 177.00 175.54 1aij s GLY 77 N -3.07 0.09 0.53 0.52 0.00 -1.26 -4.86 107.32 99.28 1aij s GLY 77 Ca 0.64 -0.35 -0.22 0.00 0.00 0.00 0.00 44.72 44.79 1aij s GLY 77 CO 0.57 0.93 1.23 -1.05 0.00 0.00 0.00 173.10 174.78 1aij n PRO 78 N -0.58 1.51 -2.10 2.90 -0.02 -1.26 -4.92 135.00 130.52 1aij n PRO 78 Ca -0.05 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1aij n PRO 78 Cb 0.60 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1aij n PRO 78 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1aij s GLU 79 N -2.70 4.32 0.44 -0.52 2.56 -1.26 -4.93 118.70 116.61 1aij s GLU 79 Ca 0.71 2.19 0.24 0.00 0.00 0.00 0.00 54.97 58.11 1aij s GLU 79 Cb -0.44 -3.15 0.54 0.00 2.00 0.00 0.00 34.13 33.09 1aij s GLU 79 CO 0.50 -0.35 1.68 0.66 -0.56 0.00 0.00 175.26 177.19 1aij h SER 80 N 5.20 0.00 -3.09 -1.70 4.64 -2.01 -3.44 113.55 113.15 1aij h SER 80 Ca -0.45 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.30 1aij h SER 80 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1aij h SER 80 CO 0.78 0.09 0.74 -0.70 -0.87 0.00 0.00 176.83 176.86 1aij s GLU 81 N -3.30 4.32 0.00 4.77 2.12 -1.26 -4.80 118.70 120.55 1aij s GLU 81 Ca 0.05 1.53 0.00 0.00 0.36 0.00 0.00 54.97 56.91 1aij s GLU 81 Cb 0.07 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1aij s GLU 81 CO 0.65 -0.51 0.01 -0.40 -0.54 0.00 0.00 175.26 174.47 1aij n ASP 82 N 5.72 0.02 -4.74 -1.70 5.68 -1.26 -5.10 116.55 115.17 1aij n ASP 82 Ca 0.11 -0.22 -0.39 0.00 -0.50 0.00 0.00 54.79 53.79 1aij n ASP 82 Cb 0.46 0.07 0.03 0.00 -1.14 0.00 0.00 41.12 40.55 1aij n ASP 82 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1aij n ARG 83 N -0.07 1.83 -1.70 0.11 1.85 -1.26 -4.95 116.66 112.46 1aij n ARG 83 Ca 0.00 0.66 -0.43 0.00 -1.00 0.00 0.00 57.85 57.08 1aij n ARG 83 Cb 0.04 -2.55 -0.02 0.00 -1.05 0.00 0.00 32.46 28.88 1aij n ARG 83 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1aij n PRO 84 N -0.66 2.37 -3.69 2.89 -0.02 -1.26 -4.98 135.00 129.65 1aij n PRO 84 Ca 0.09 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 1aij n PRO 84 Cb 0.43 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.22 1aij n PRO 84 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1aij s ILE 85 N 0.20 3.81 -1.11 4.25 -1.09 -1.26 -5.02 121.20 120.98 1aij s ILE 85 Ca 0.69 -1.53 -0.15 0.00 -2.23 0.00 0.00 60.65 57.42 1aij s ILE 85 Cb -0.58 -3.36 -0.07 0.00 -1.58 0.00 0.00 42.46 36.87 1aij s ILE 85 CO 0.46 -0.47 2.18 0.00 -1.23 0.00 0.00 174.94 175.88 1aij n ALA 86 N 4.80 4.77 -3.70 9.38 0.00 -1.26 -4.87 120.51 129.63 1aij n ALA 86 Ca -0.09 -3.27 -0.22 0.00 0.00 0.00 0.00 53.44 49.86 1aij n ALA 86 Cb 0.43 -3.46 -0.17 0.00 0.00 0.00 0.00 19.45 16.25 1aij n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aij s LEU 87 N 1.16 1.11 0.29 0.00 1.43 -1.26 -1.54 118.68 119.87 1aij s LEU 87 Ca 0.52 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.29 1aij s LEU 87 Cb 0.14 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.73 1aij s LEU 87 CO 0.01 -0.10 0.76 0.00 0.23 0.00 0.00 176.35 177.24 1aij s ALA 88 N 1.33 3.33 0.43 4.21 0.00 0.13 -4.81 121.76 126.39 1aij s ALA 88 Ca -0.04 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 1aij s ALA 88 Cb -0.14 -2.84 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 1aij s ALA 88 CO -0.02 0.31 1.14 0.50 0.00 0.00 0.00 175.76 177.69 1aij s ARG 89 N -2.53 3.90 -0.05 0.00 3.52 -1.26 -0.52 118.95 122.01 1aij s ARG 89 Ca 0.50 1.74 0.16 0.00 -0.13 0.00 0.00 55.73 57.99 1aij s ARG 89 Cb -0.13 -2.49 -0.24 0.00 -1.56 0.00 0.00 34.95 30.53 1aij s ARG 89 CO 0.19 -0.42 0.28 2.41 -0.81 0.00 0.00 175.30 176.95 1aij n THR 90 N -0.28 0.27 -3.86 4.11 -1.04 -1.22 -4.76 114.28 107.50 1aij n THR 90 Ca 0.06 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.05 61.53 1aij n THR 90 Cb 0.48 -0.06 -0.09 0.00 -1.82 0.00 0.00 70.33 68.84 1aij n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aij s ALA 91 N -2.93 -0.34 0.25 2.41 0.00 -1.26 -5.05 121.76 114.84 1aij s ALA 91 Ca -0.06 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1aij s ALA 91 Cb 0.09 0.23 0.30 0.00 0.00 0.00 0.00 23.12 23.74 1aij s ALA 91 CO 0.66 -0.32 1.62 0.28 0.00 0.00 0.00 175.76 178.01 1aij h VAL 92 N 3.69 1.32 -3.95 0.00 2.07 -2.01 -3.44 116.25 113.93 1aij h VAL 92 Ca -0.32 -1.62 -0.49 0.00 0.82 0.00 0.00 66.70 65.09 1aij h VAL 92 Cb 1.19 1.68 0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1aij h VAL 92 CO 0.46 0.50 0.44 -0.55 0.02 0.00 0.00 177.57 178.44 1aij s SER 93 N -6.87 6.71 0.60 0.57 0.15 -1.26 -5.02 113.70 108.57 1aij s SER 93 Ca -0.06 2.14 -0.19 0.00 0.70 0.00 0.00 55.95 58.55 1aij s SER 93 Cb 0.13 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1aij s SER 93 CO 0.80 -0.53 1.22 -1.61 1.20 0.00 0.00 173.24 174.32 1aij s GLU 94 N -2.37 2.93 0.00 5.44 0.41 -1.26 -4.22 118.70 119.63 1aij s GLU 94 Ca 0.57 1.85 0.00 0.00 -0.41 0.00 0.00 54.97 56.98 1aij s GLU 94 Cb -0.25 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 1aij s GLU 94 CO 0.32 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.25 1aij n GLY 95 N 0.55 0.67 3.81 -1.39 0.00 -1.26 -5.10 105.19 102.46 1aij n GLY 95 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1aij n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aij s PHE 96 N -2.00 2.91 0.75 1.61 0.08 -1.26 -5.09 117.98 114.97 1aij s PHE 96 Ca 0.00 -0.26 -0.15 0.00 0.12 0.00 0.00 56.93 56.64 1aij s PHE 96 Cb 0.00 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1aij s PHE 96 CO 0.00 0.33 1.02 -2.30 -0.10 0.00 0.00 175.22 174.17 1aij n PRO 97 N -1.25 0.43 -3.93 0.24 -0.02 -1.26 -4.87 135.00 124.35 1aij n PRO 97 Ca -0.04 0.21 -0.35 0.00 -2.02 0.00 0.00 63.50 61.30 1aij n PRO 97 Cb 0.59 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 1aij n PRO 97 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1aij s HIS 98 N -1.89 2.99 0.33 6.00 3.76 -1.26 -3.40 115.29 121.83 1aij s HIS 98 Ca 0.73 -0.73 -0.26 0.00 -0.15 0.00 0.00 55.06 54.65 1aij s HIS 98 Cb -0.33 -2.12 -0.10 0.00 1.11 0.00 0.00 32.58 31.14 1aij s HIS 98 CO 0.51 -0.44 0.95 0.00 -0.85 0.00 0.00 174.74 174.90 1aij s ALA 99 N 1.39 3.20 0.20 -1.40 0.00 0.32 -4.71 121.76 120.76 1aij s ALA 99 Ca 0.05 0.53 -0.33 0.00 0.00 0.00 0.00 51.96 52.21 1aij s ALA 99 Cb -0.14 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 1aij s ALA 99 CO -0.01 0.15 1.52 -2.30 0.00 0.00 0.00 175.76 175.13 1aij n PRO 100 N 0.49 2.17 0.01 0.00 -0.02 -1.26 0.21 135.00 136.61 1aij n PRO 100 Ca 0.02 0.78 -0.12 0.00 -2.02 0.00 0.00 63.50 62.17 1aij n PRO 100 Cb 0.50 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 1aij n PRO 100 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1aij h THR 101 N 3.40 1.03 -0.17 3.45 1.35 -1.63 -3.44 112.91 116.90 1aij h THR 101 Ca -0.45 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 62.61 1aij h THR 101 Cb 1.26 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 1aij h THR 101 CO 0.84 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 177.41 1aij n GLY 102 N 1.60 5.20 3.61 5.82 0.00 -1.26 -5.07 105.19 115.09 1aij n GLY 102 Ca -0.16 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1aij n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aij s ASP 103 N 1.00 6.71 0.28 1.61 -1.08 -1.26 -4.95 116.67 118.99 1aij s ASP 103 Ca 0.00 0.71 -0.00 0.00 -0.52 0.00 0.00 52.55 52.74 1aij s ASP 103 Cb 0.00 -2.44 0.49 0.00 -1.46 0.00 0.00 42.92 39.50 1aij s ASP 103 CO 0.00 -0.71 1.88 1.55 0.52 0.00 0.00 175.17 178.41 1aij h PRO 104 N 8.18 1.05 -0.17 4.34 0.13 -1.94 0.17 132.00 143.76 1aij h PRO 104 Ca -0.23 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1aij h PRO 104 Cb 1.09 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1aij h PRO 104 CO 0.93 0.70 0.09 0.52 -0.23 0.00 0.00 178.00 180.01 1aij h MET 105 N 1.09 0.23 -0.12 0.86 2.86 -1.92 -1.48 114.93 116.45 1aij h MET 105 Ca 0.43 -0.03 -0.23 0.00 -2.06 0.00 0.00 59.70 57.82 1aij h MET 105 Cb 0.25 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.87 1aij h MET 105 CO -0.18 0.23 -0.82 0.87 1.06 0.00 0.00 176.91 178.07 1aij h LYS 106 N 0.17 0.73 0.00 1.72 1.57 -1.89 -3.25 116.57 115.63 1aij h LYS 106 Ca 0.06 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1aij h LYS 106 Cb 0.06 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1aij h LYS 106 CO -0.01 1.23 0.00 -0.44 -0.57 0.00 0.00 179.45 179.66 1aij h ASP 107 N 0.48 0.00 -2.36 0.86 3.32 -0.93 -3.48 116.42 114.31 1aij h ASP 107 Ca -0.06 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1aij h ASP 107 Cb 1.45 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.02 1aij h ASP 107 CO 0.16 0.00 -0.11 0.61 -1.72 0.00 0.00 179.24 178.18 1aij n GLY 108 N 0.93 0.42 3.32 2.75 0.00 -0.57 -4.77 105.19 107.26 1aij n GLY 108 Ca 0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 1aij n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aij s VAL 109 N -3.05 1.32 0.00 1.61 -7.23 -1.11 -3.94 120.40 107.99 1aij s VAL 109 Ca 0.02 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1aij s VAL 109 Cb -0.01 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1aij s VAL 109 CO 0.11 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1aij n GLY 110 N -0.35 1.81 0.00 2.32 0.00 -1.26 -2.27 105.19 105.44 1aij n GLY 110 Ca -0.08 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.39 1aij n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aij n PRO 111 N 13.09 0.11 -0.53 1.61 -0.04 -1.26 -1.22 135.00 146.76 1aij n PRO 111 Ca 0.00 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 1aij n PRO 111 Cb 0.00 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.31 1aij n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aij n ALA 112 N -1.37 2.84 -1.31 0.55 0.00 -0.96 -2.24 120.51 118.02 1aij n ALA 112 Ca 0.05 -1.50 -0.33 0.00 0.00 0.00 0.00 53.44 51.66 1aij n ALA 112 Cb 0.11 -0.98 0.09 0.00 0.00 0.00 0.00 19.45 18.67 1aij n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1aij s SER 113 N -0.95 4.36 0.09 0.00 0.01 -0.36 -3.94 113.70 112.92 1aij s SER 113 Ca 0.51 2.15 -0.03 0.00 1.31 0.00 0.00 55.95 59.88 1aij s SER 113 Cb 0.30 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1aij s SER 113 CO 0.28 -2.14 0.06 -1.66 0.41 0.00 0.00 173.24 170.19 1aij s TRP 114 N -2.31 0.52 0.05 2.43 1.48 -1.25 -4.31 118.94 115.54 1aij s TRP 114 Ca 0.69 -0.99 0.08 0.00 -1.06 0.00 0.00 56.10 54.82 1aij s TRP 114 Cb -0.24 -0.32 -0.03 0.00 -1.16 0.00 0.00 33.47 31.72 1aij s TRP 114 CO 0.47 -0.48 -0.19 0.08 -4.06 0.00 0.00 176.95 172.77 1aij s VAL 115 N -3.94 2.72 -1.07 -0.66 1.01 -1.26 -5.01 120.40 112.18 1aij s VAL 115 Ca 0.12 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 1aij s VAL 115 Cb 0.07 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 1aij s VAL 115 CO -0.06 0.31 1.98 0.00 0.00 0.00 0.00 175.10 177.33 1aij n ALA 116 N 1.48 3.65 -1.54 5.51 0.00 -1.26 -4.82 120.51 123.53 1aij n ALA 116 Ca -0.16 -3.47 -0.30 0.00 0.00 0.00 0.00 53.44 49.51 1aij n ALA 116 Cb 0.52 -3.58 0.09 0.00 0.00 0.00 0.00 19.45 16.48 1aij n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aij s ARG 117 N 4.71 2.11 0.19 0.00 0.52 -1.26 -4.96 118.95 120.27 1aij s ARG 117 Ca 0.56 0.67 -0.33 0.00 -0.52 0.00 0.00 55.73 56.12 1aij s ARG 117 Cb 0.11 -1.92 -0.14 0.00 0.52 0.00 0.00 34.95 33.52 1aij s ARG 117 CO 0.07 -1.61 1.39 -2.13 0.02 0.00 0.00 175.30 173.03 1aij n ARG 118 N -3.43 1.79 -1.50 3.54 0.63 -1.26 -3.94 116.66 112.49 1aij n ARG 118 Ca 0.07 0.64 -0.27 0.00 -0.92 0.00 0.00 57.85 57.37 1aij n ARG 118 Cb 0.56 -2.29 -0.06 0.00 0.45 0.00 0.00 32.46 31.12 1aij n ARG 118 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1aij n ASP 119 N 2.43 6.61 -4.14 6.15 2.03 -1.26 -2.29 116.55 126.08 1aij n ASP 119 Ca 0.14 -3.07 -0.12 0.00 0.52 0.00 0.00 54.79 52.25 1aij n ASP 119 Cb 0.28 -1.29 -0.11 0.00 -0.72 0.00 0.00 41.12 39.29 1aij n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1aij s LEU 120 N -1.80 2.41 0.60 -2.67 1.43 -1.26 -4.92 118.68 112.47 1aij s LEU 120 Ca 0.60 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1aij s LEU 120 Cb 0.34 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.36 1aij s LEU 120 CO -0.17 -0.34 1.10 -2.84 0.23 0.00 0.00 176.35 174.34 1aij s PRO 121 N -2.93 3.13 0.28 1.29 0.02 -1.26 -1.48 135.00 134.05 1aij s PRO 121 Ca 0.04 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.20 1aij s PRO 121 Cb -0.01 -1.99 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 1aij s PRO 121 CO -0.02 -0.99 1.33 -2.00 -0.33 0.00 0.00 177.00 174.99 1aij s GLU 122 N -3.77 4.35 -0.05 5.54 2.12 -1.26 -4.85 118.70 120.79 1aij s GLU 122 Ca 0.68 2.18 -0.02 0.00 0.36 0.00 0.00 54.97 58.17 1aij s GLU 122 Cb -0.21 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1aij s GLU 122 CO 0.34 -0.24 0.09 -0.51 -0.54 0.00 0.00 175.26 174.40 1aij s LEU 123 N -1.02 3.98 0.00 2.70 1.02 -1.26 -0.91 118.68 123.19 1aij s LEU 123 Ca 0.53 0.23 -0.15 0.00 0.02 0.00 0.00 54.13 54.76 1aij s LEU 123 Cb -0.39 -2.17 0.21 0.00 0.02 0.00 0.00 46.19 43.86 1aij s LEU 123 CO 0.46 0.32 1.04 -0.90 0.02 0.00 0.00 176.35 177.30 1aij n ASP 124 N 1.53 -0.64 0.27 2.29 5.68 0.50 -4.78 116.55 121.40 1aij n ASP 124 Ca -0.15 -1.28 0.14 0.00 -0.50 0.00 0.00 54.79 53.00 1aij n ASP 124 Cb 0.53 -0.85 0.85 0.00 -1.14 0.00 0.00 41.12 40.52 1aij n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1aij h GLY 125 N -1.79 0.00 -2.01 6.12 0.00 -2.00 -1.10 103.07 102.30 1aij h GLY 125 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1aij h GLY 125 CO 0.24 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.20 1aij n HIS 126 N -3.98 0.82 -1.82 5.60 8.25 -1.26 -4.93 115.22 117.90 1aij n HIS 126 Ca -0.02 -0.36 -0.08 0.00 -0.26 0.00 0.00 57.72 57.00 1aij n HIS 126 Cb 0.12 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 1aij n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aij n GLY 127 N 1.09 0.39 3.63 -1.41 0.00 -0.41 -5.04 105.19 103.43 1aij n GLY 127 Ca 0.17 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 1aij n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aij s HIS 128 N -2.36 2.66 0.21 1.61 3.76 -1.26 -4.85 115.29 115.06 1aij s HIS 128 Ca 0.00 -0.23 -0.32 0.00 -0.15 0.00 0.00 55.06 54.35 1aij s HIS 128 Cb 0.00 -1.18 -0.12 0.00 1.11 0.00 0.00 32.58 32.38 1aij s HIS 128 CO 0.00 0.63 1.68 0.09 -0.85 0.00 0.00 174.74 176.28 1aij n ASN 129 N -0.88 3.78 -0.08 1.40 4.13 -1.26 -0.37 115.26 121.98 1aij n ASN 129 Ca -0.06 1.08 -0.14 0.00 1.68 0.00 0.00 54.58 57.14 1aij n ASN 129 Cb 0.59 -1.54 -0.05 0.00 -1.54 0.00 0.00 39.78 37.23 1aij n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1aij h LYS 130 N 6.34 0.64 -5.55 3.52 3.64 -1.33 -3.43 116.57 120.41 1aij h LYS 130 Ca -0.44 -0.38 -0.65 0.00 -1.27 0.00 0.00 60.65 57.92 1aij h LYS 130 Cb 1.22 0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 32.86 1aij h LYS 130 CO 0.92 0.99 -0.67 0.42 -2.27 0.00 0.00 179.45 178.84 1aij s ILE 131 N -4.21 3.90 -0.00 2.00 1.01 -1.26 -0.89 121.20 121.75 1aij s ILE 131 Ca -0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 1aij s ILE 131 Cb 0.08 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 1aij s ILE 131 CO 0.83 0.53 0.10 -0.75 0.00 0.00 0.00 174.94 175.64 1aij s LYS 132 N -0.02 0.37 0.41 2.79 2.20 -0.26 -4.64 119.74 120.59 1aij s LYS 132 Ca 0.01 -0.32 -0.26 0.00 -0.36 0.00 0.00 55.97 55.04 1aij s LYS 132 Cb -0.13 0.15 -0.10 0.00 -1.51 0.00 0.00 37.83 36.24 1aij s LYS 132 CO 0.03 -0.08 1.40 -0.35 -0.36 0.00 0.00 175.35 175.98 1aij n PRO 133 N 1.84 2.28 0.28 4.03 -0.04 -1.26 -1.08 135.00 141.04 1aij n PRO 133 Ca -0.21 0.81 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 1aij n PRO 133 Cb 0.56 -2.55 0.80 0.00 -0.04 0.00 0.00 33.50 32.27 1aij n PRO 133 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1aij h MET 134 N 2.44 0.00 -0.75 0.54 4.05 -1.34 -0.85 114.93 119.03 1aij h MET 134 Ca -0.50 0.00 0.17 0.00 -0.28 0.00 0.00 59.70 59.10 1aij h MET 134 Cb 1.27 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.94 1aij h MET 134 CO 0.62 0.04 0.05 0.87 0.23 0.00 0.00 176.91 178.72 1aij h LYS 135 N 0.00 0.13 0.00 0.39 1.57 -1.91 -2.05 116.57 114.70 1aij h LYS 135 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1aij h LYS 135 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1aij h LYS 135 CO 0.01 0.09 -0.71 0.00 -0.57 0.00 0.00 179.45 178.27 1aij n ALA 136 N -2.87 3.66 -2.91 3.86 0.00 -0.38 -4.66 120.51 117.21 1aij n ALA 136 Ca 0.14 -0.39 -0.44 0.00 0.00 0.00 0.00 53.44 52.75 1aij n ALA 136 Cb 0.48 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 1aij n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aij s ALA 137 N -3.06 3.33 -0.02 0.00 0.00 -0.77 -4.97 121.76 116.26 1aij s ALA 137 Ca 0.09 -2.67 -0.35 0.00 0.00 0.00 0.00 51.96 49.02 1aij s ALA 137 Cb 0.16 -4.04 -0.13 0.00 0.00 0.00 0.00 23.12 19.10 1aij s ALA 137 CO 0.75 -2.98 1.71 0.00 0.00 0.00 0.00 175.76 175.25 1aij n ALA 138 N 6.71 0.66 0.00 0.00 0.00 -1.26 -1.63 120.51 124.99 1aij n ALA 138 Ca 0.22 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1aij n ALA 138 Cb 0.49 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1aij n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aij n GLY 139 N 3.88 2.45 3.77 0.00 0.00 -1.26 -5.02 105.19 109.00 1aij n GLY 139 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1aij n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aij s PHE 140 N -2.23 3.62 0.14 1.61 0.40 -0.65 -5.03 117.98 115.85 1aij s PHE 140 Ca 0.00 1.75 -0.21 0.00 -0.60 0.00 0.00 56.93 57.88 1aij s PHE 140 Cb 0.00 -3.11 0.06 0.00 0.51 0.00 0.00 43.02 40.48 1aij s PHE 140 CO 0.00 -0.19 0.53 -3.38 0.70 0.00 0.00 175.22 172.88 1aij s HIS 141 N -1.37 -0.42 -0.08 0.36 -3.43 -1.26 -4.99 115.29 104.09 1aij s HIS 141 Ca 0.48 0.19 -0.30 0.00 -0.80 0.00 0.00 55.06 54.63 1aij s HIS 141 Cb -0.26 0.45 -0.03 0.00 -1.43 0.00 0.00 32.58 31.31 1aij s HIS 141 CO 0.32 -0.79 1.34 0.08 -2.00 0.00 0.00 174.74 173.69 1aij s VAL 142 N -3.72 4.03 -0.29 -5.38 1.01 -1.26 -4.92 120.40 109.87 1aij s VAL 142 Ca 0.01 1.32 0.21 0.00 0.00 0.00 0.00 61.98 63.53 1aij s VAL 142 Cb -0.00 -3.85 -0.31 0.00 0.00 0.00 0.00 36.38 32.22 1aij s VAL 142 CO -0.12 -0.06 0.59 -1.54 0.00 0.00 0.00 175.10 173.96 1aij n SER 143 N 6.04 0.32 -3.55 3.32 3.41 -1.26 -5.03 113.62 116.87 1aij n SER 143 Ca 0.13 -0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.38 1aij n SER 143 Cb 0.45 1.72 -0.04 0.00 -0.26 0.00 0.00 64.21 66.07 1aij n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aij s ALA 144 N -3.36 -1.90 0.00 7.33 0.00 -1.26 -5.17 121.76 117.41 1aij s ALA 144 Ca -0.04 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1aij s ALA 144 Cb 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1aij s ALA 144 CO 0.89 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1aij n GLY 145 N 0.39 0.10 3.67 0.00 0.00 -1.26 -4.86 105.19 103.23 1aij n GLY 145 Ca -0.09 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1aij n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aij s LYS 146 N -1.88 4.26 -0.17 1.61 2.47 -1.26 -4.97 119.74 119.80 1aij s LYS 146 Ca 0.00 1.86 -0.29 0.00 -1.56 0.00 0.00 55.97 55.98 1aij s LYS 146 Cb 0.00 -3.71 -0.03 0.00 -1.46 0.00 0.00 37.83 32.63 1aij s LYS 146 CO 0.00 -0.65 1.47 1.21 0.16 0.00 0.00 175.35 177.54 1aij s ASN 147 N 2.13 6.67 0.18 1.43 3.84 -1.26 -4.93 114.94 123.00 1aij s ASN 147 Ca 0.61 1.74 0.26 0.00 0.21 0.00 0.00 52.86 55.68 1aij s ASN 147 Cb -0.28 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 38.77 1aij s ASN 147 CO 0.22 -0.99 1.79 -0.81 -2.79 0.00 0.00 177.10 174.52 1aij n PRO 148 N 7.15 0.22 -1.96 0.43 -0.04 -1.26 -4.85 135.00 134.69 1aij n PRO 148 Ca 0.16 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 1aij n PRO 148 Cb 0.45 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 1aij n PRO 148 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1aij s ILE 149 N -3.10 3.31 0.00 0.52 1.01 -1.26 -1.31 121.20 120.37 1aij s ILE 149 Ca 0.10 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1aij s ILE 149 Cb 0.13 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1aij s ILE 149 CO 0.56 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1aij n GLY 150 N 4.06 2.50 3.78 6.18 0.00 0.14 -4.99 105.19 116.85 1aij n GLY 150 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1aij n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aij s LEU 151 N 0.00 4.18 0.53 0.99 1.43 -0.42 -4.66 118.68 120.73 1aij s LEU 151 Ca 0.00 2.12 -0.21 0.00 -1.03 0.00 0.00 54.13 55.01 1aij s LEU 151 Cb 0.00 -4.11 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 1aij s LEU 151 CO 0.00 -0.51 1.22 -2.16 0.23 0.00 0.00 176.35 175.14 1aij s PRO 152 N -2.37 3.34 -0.19 1.29 0.04 -1.26 -1.09 135.00 134.76 1aij s PRO 152 Ca 0.57 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 1aij s PRO 152 Cb -0.25 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1aij s PRO 152 CO 0.31 -0.93 -0.02 0.08 0.04 0.00 0.00 177.00 176.48 1aij s VAL 153 N -1.52 3.84 -0.12 -0.36 1.01 0.13 -0.80 120.40 122.58 1aij s VAL 153 Ca 0.70 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1aij s VAL 153 Cb -0.32 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1aij s VAL 153 CO 0.37 0.45 -0.09 -0.60 0.00 0.00 0.00 175.10 175.22 1aij s ARG 154 N 0.88 3.31 0.80 2.72 3.52 0.55 -0.31 118.95 130.43 1aij s ARG 154 Ca 0.00 -0.61 -0.09 0.00 -0.13 0.00 0.00 55.73 54.90 1aij s ARG 154 Cb -0.14 -2.70 0.12 0.00 -1.56 0.00 0.00 34.95 30.66 1aij s ARG 154 CO 0.02 0.33 1.13 0.20 -0.81 0.00 0.00 175.30 176.16 1aij s GLY 155 N 0.08 1.72 0.37 8.12 0.00 -0.37 -0.61 107.32 116.63 1aij s GLY 155 Ca -0.03 -1.12 0.27 0.00 0.00 0.00 0.00 44.72 43.84 1aij s GLY 155 CO 0.04 -0.56 1.80 0.00 0.00 0.00 0.00 173.10 174.38 1aij n ASP 157 N -2.45 1.03 -1.98 0.00 5.75 -1.24 -1.82 116.55 115.84 1aij n ASP 157 Ca -0.00 -1.95 -0.20 0.00 -0.01 0.00 0.00 54.79 52.63 1aij n ASP 157 Cb 0.14 -0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.07 1aij n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1aij n LEU 158 N 0.04 -1.73 -4.64 -2.12 4.77 -0.07 -4.90 117.00 108.35 1aij n LEU 158 Ca 0.08 0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.94 1aij n LEU 158 Cb 0.17 -2.84 -0.10 0.00 -2.33 0.00 0.00 43.42 38.33 1aij n LEU 158 CO 0.05 -0.58 -0.35 -1.61 -1.33 0.00 0.00 177.39 173.57 1aij s GLU 159 N -4.45 2.65 0.10 3.23 0.41 -1.25 -4.90 118.70 114.48 1aij s GLU 159 Ca 0.00 -0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 53.57 1aij s GLU 159 Cb 0.00 -2.58 -0.06 0.00 -1.78 0.00 0.00 34.13 29.72 1aij s GLU 159 CO 0.00 0.61 1.06 0.42 -0.49 0.00 0.00 175.26 176.85 1aij s ILE 160 N -1.06 4.29 -0.09 -1.63 1.01 -1.26 -1.24 121.20 121.22 1aij s ILE 160 Ca 0.19 1.80 0.16 0.00 0.00 0.00 0.00 60.65 62.80 1aij s ILE 160 Cb -0.11 -4.15 -0.24 0.00 0.01 0.00 0.00 42.46 37.96 1aij s ILE 160 CO 0.09 0.23 0.39 0.00 0.00 0.00 0.00 174.94 175.65 1aij n ALA 161 N 3.16 2.74 0.00 9.38 0.00 0.58 -4.91 120.51 131.46 1aij n ALA 161 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1aij n ALA 161 Cb 0.48 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1aij n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aij n GLY 162 N 1.56 -0.62 3.15 0.00 0.00 -1.17 -4.35 105.19 103.75 1aij n GLY 162 Ca -0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1aij n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aij s LYS 163 N -0.84 0.50 -0.16 1.61 -2.85 -0.84 -0.69 119.74 116.47 1aij s LYS 163 Ca 0.00 -0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.47 1aij s LYS 163 Cb 0.00 0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.98 1aij s LYS 163 CO 0.00 -0.12 1.12 0.08 0.10 0.00 0.00 175.35 176.53 1aij s VAL 164 N -1.10 4.53 -1.13 1.79 1.01 -0.25 -0.60 120.40 124.65 1aij s VAL 164 Ca -0.12 1.83 0.17 0.00 0.00 0.00 0.00 61.98 63.87 1aij s VAL 164 Cb -0.06 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 1aij s VAL 164 CO 0.02 -0.10 0.79 1.33 0.00 0.00 0.00 175.10 177.14 1aij n VAL 165 N 5.07 0.00 -3.62 2.92 0.24 0.44 -0.69 118.33 122.70 1aij n VAL 165 Ca 0.12 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1aij n VAL 165 Cb 0.46 1.08 -0.01 0.00 -1.47 0.00 0.00 33.84 33.91 1aij n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1aij s ASP 166 N -2.36 -0.08 -0.10 -1.34 -1.08 -1.17 -4.95 116.67 105.59 1aij s ASP 166 Ca 0.10 -0.12 0.01 0.00 -0.52 0.00 0.00 52.55 52.01 1aij s ASP 166 Cb 0.13 0.17 -0.02 0.00 -1.46 0.00 0.00 42.92 41.74 1aij s ASP 166 CO 0.59 -0.31 -0.12 -0.63 0.52 0.00 0.00 175.17 175.22 1aij s ILE 167 N -2.46 3.21 -0.18 4.11 1.01 -1.26 -0.43 121.20 125.19 1aij s ILE 167 Ca 0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1aij s ILE 167 Cb 0.04 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1aij s ILE 167 CO -0.04 0.55 0.18 0.26 0.00 0.00 0.00 174.94 175.89 1aij s TRP 168 N -0.06 3.44 0.00 3.97 0.52 0.17 -0.83 118.94 126.14 1aij s TRP 168 Ca -0.02 0.43 0.04 0.00 0.02 0.00 0.00 56.10 56.57 1aij s TRP 168 Cb -0.14 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 29.94 1aij s TRP 168 CO 0.04 0.29 -0.09 0.08 0.02 0.00 0.00 176.95 177.29 1aij s VAL 169 N 0.33 3.46 -0.41 4.03 1.01 -0.24 -0.84 120.40 127.74 1aij s VAL 169 Ca 0.11 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 1aij s VAL 169 Cb -0.12 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1aij s VAL 169 CO 0.00 0.41 0.71 -0.62 0.00 0.00 0.00 175.10 175.60 1aij s ASP 170 N -1.33 6.41 0.00 3.32 -1.08 -0.31 -1.10 116.67 122.59 1aij s ASP 170 Ca 0.16 -0.06 -0.25 0.00 -0.52 0.00 0.00 52.55 51.89 1aij s ASP 170 Cb -0.11 -2.35 -0.15 0.00 -1.46 0.00 0.00 42.92 38.84 1aij s ASP 170 CO 0.06 -0.77 1.14 0.40 0.52 0.00 0.00 175.17 176.52 1aij h ILE 171 N 5.85 0.44 -0.72 4.11 5.03 -1.33 -0.62 117.51 130.26 1aij h ILE 171 Ca -0.25 -0.52 0.08 0.00 -0.12 0.00 0.00 64.86 64.04 1aij h ILE 171 Cb 1.10 0.64 -0.05 0.00 -3.03 0.00 0.00 36.82 35.48 1aij h ILE 171 CO 0.90 0.08 0.48 -0.65 -0.68 0.00 0.00 178.15 178.27 1aij h PRO 172 N -0.93 0.68 -0.00 2.37 0.11 -1.94 -1.73 132.00 130.55 1aij h PRO 172 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1aij h PRO 172 Cb 0.57 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1aij h PRO 172 CO 0.10 0.45 -0.47 0.39 -0.21 0.00 0.00 178.00 178.26 1aij n GLU 173 N -4.49 0.35 -3.75 1.05 -0.58 -1.24 -5.00 120.64 106.98 1aij n GLU 173 Ca 0.11 -0.22 -0.33 0.00 -0.42 0.00 0.00 57.16 56.30 1aij n GLU 173 Cb 0.27 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.68 1aij n GLU 173 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1aij n GLN 174 N -1.14 -1.03 -3.93 3.49 6.02 -0.26 -5.00 117.38 115.54 1aij n GLN 174 Ca 0.08 0.43 -0.09 0.00 -0.01 0.00 0.00 57.00 57.40 1aij n GLN 174 Cb 0.35 -3.74 -0.09 0.00 1.02 0.00 0.00 30.24 27.77 1aij n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aij s MET 175 N -6.13 0.57 -0.19 -1.09 0.23 -1.12 -4.98 119.30 106.59 1aij s MET 175 Ca 0.44 -0.73 -0.29 0.00 -1.03 0.00 0.00 55.69 54.08 1aij s MET 175 Cb -0.18 0.22 -0.00 0.00 -1.53 0.00 0.00 34.83 33.34 1aij s MET 175 CO 0.88 -0.14 1.18 0.00 -2.03 0.00 0.00 175.02 174.91 1aij s ALA 176 N -2.50 3.67 -0.17 3.16 0.00 -1.26 -1.16 121.76 123.50 1aij s ALA 176 Ca -0.06 0.35 0.10 0.00 0.00 0.00 0.00 51.96 52.35 1aij s ALA 176 Cb -0.02 -3.60 -0.17 0.00 0.00 0.00 0.00 23.12 19.33 1aij s ALA 176 CO -0.04 -1.13 -0.02 0.54 0.00 0.00 0.00 175.76 175.11 1aij n ARG 177 N 6.51 1.16 -3.92 0.00 1.74 -0.02 -4.76 116.66 117.37 1aij n ARG 177 Ca 0.13 0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1aij n ARG 177 Cb 0.45 -1.40 -0.09 0.00 -1.02 0.00 0.00 32.46 30.40 1aij n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1aij s PHE 178 N -2.39 0.20 -0.15 -1.55 0.08 -1.10 -0.63 117.98 112.44 1aij s PHE 178 Ca -0.14 -0.54 -0.03 0.00 0.12 0.00 0.00 56.93 56.35 1aij s PHE 178 Cb 0.05 -0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.34 1aij s PHE 178 CO 0.59 -0.40 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.76 1aij s LEU 179 N -2.28 3.20 -0.26 -0.37 1.43 -0.09 -0.65 118.68 119.66 1aij s LEU 179 Ca -0.03 -0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 1aij s LEU 179 Cb 0.00 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1aij s LEU 179 CO -0.06 0.17 0.76 -0.70 0.23 0.00 0.00 176.35 176.76 1aij s GLU 180 N 0.32 4.12 -0.13 1.70 2.12 0.43 -0.79 118.70 126.47 1aij s GLU 180 Ca -0.04 0.75 -0.01 0.00 0.36 0.00 0.00 54.97 56.03 1aij s GLU 180 Cb -0.14 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 1aij s GLU 180 CO 0.03 -0.51 -0.12 0.08 -0.54 0.00 0.00 175.26 174.20 1aij s VAL 181 N 2.76 3.19 -0.06 3.70 1.01 0.08 -0.42 120.40 130.66 1aij s VAL 181 Ca 0.32 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1aij s VAL 181 Cb -0.15 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1aij s VAL 181 CO 0.09 0.52 0.49 -0.70 0.00 0.00 0.00 175.10 175.49 1aij s GLU 182 N 0.33 4.23 0.53 2.72 2.12 0.23 -0.86 118.70 128.00 1aij s GLU 182 Ca -0.10 0.51 0.04 0.00 0.36 0.00 0.00 54.97 55.79 1aij s GLU 182 Cb -0.16 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 30.92 1aij s GLU 182 CO 0.05 0.35 0.73 -0.51 -0.54 0.00 0.00 175.26 175.35 1aij s LEU 183 N -0.04 3.34 0.57 2.70 1.43 0.12 -1.98 118.68 124.82 1aij s LEU 183 Ca 0.26 -0.30 0.26 0.00 -1.03 0.00 0.00 54.13 53.32 1aij s LEU 183 Cb -0.16 -2.53 1.59 0.00 0.03 0.00 0.00 46.19 45.12 1aij s LEU 183 CO 0.13 -1.13 2.13 0.11 0.23 0.00 0.00 176.35 177.82 1aij h LYS 184 N 0.20 0.00 -0.16 1.70 6.56 -1.87 0.16 116.57 123.16 1aij h LYS 184 Ca -0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1aij h LYS 184 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 1aij h LYS 184 CO 0.47 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.46 1aij n ASP 185 N -4.02 1.58 0.00 0.86 5.68 -1.26 -4.95 116.55 114.44 1aij n ASP 185 Ca 0.01 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1aij n ASP 185 Cb 0.25 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1aij n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aij n GLY 186 N 1.11 2.17 3.89 6.12 0.00 0.04 -5.05 105.19 113.47 1aij n GLY 186 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1aij n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aij s SER 187 N -2.11 5.07 0.33 1.61 1.04 -1.26 -4.70 113.70 113.68 1aij s SER 187 Ca 0.00 0.96 0.10 0.00 0.48 0.00 0.00 55.95 57.49 1aij s SER 187 Cb 0.00 -1.65 -0.06 0.00 0.10 0.00 0.00 66.02 64.41 1aij s SER 187 CO 0.00 -1.55 -0.08 0.42 0.98 0.00 0.00 173.24 173.00 1aij s THR 188 N -3.43 2.40 0.06 2.02 -4.23 -1.26 -0.70 115.64 110.50 1aij s THR 188 Ca 0.60 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1aij s THR 188 Cb -0.11 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1aij s THR 188 CO 0.50 -0.24 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.16 1aij s ARG 189 N -3.62 0.60 -0.17 3.99 1.81 -0.04 -4.89 118.95 116.63 1aij s ARG 189 Ca 0.33 -1.03 -0.09 0.00 -1.72 0.00 0.00 55.73 53.21 1aij s ARG 189 Cb 0.00 -0.05 -0.05 0.00 -0.45 0.00 0.00 34.95 34.40 1aij s ARG 189 CO 0.17 -0.03 0.15 -0.51 -0.68 0.00 0.00 175.30 174.39 1aij s LEU 190 N -2.36 4.27 -0.16 2.53 1.43 -1.26 -0.74 118.68 122.39 1aij s LEU 190 Ca -0.00 0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1aij s LEU 190 Cb -0.01 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1aij s LEU 190 CO -0.04 0.25 -0.05 -0.76 0.23 0.00 0.00 176.35 175.98 1aij s LEU 191 N -0.08 3.13 0.08 1.79 2.01 0.03 -4.93 118.68 120.71 1aij s LEU 191 Ca 0.11 -0.20 -0.34 0.00 0.01 0.00 0.00 54.13 53.72 1aij s LEU 191 Cb -0.12 -1.75 -0.13 0.00 0.01 0.00 0.00 46.19 44.20 1aij s LEU 191 CO 0.00 0.14 1.70 -2.65 1.01 0.00 0.00 176.35 176.56 1aij n PRO 192 N 3.72 2.25 -0.33 1.29 -0.02 -1.26 -0.91 135.00 139.75 1aij n PRO 192 Ca -0.18 0.82 0.05 0.00 -2.02 0.00 0.00 63.50 62.17 1aij n PRO 192 Cb 0.52 -2.63 0.20 0.00 -0.02 0.00 0.00 33.50 31.58 1aij n PRO 192 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1aij h MET 193 N 7.22 0.87 0.00 -0.52 2.86 -1.17 -0.38 114.93 123.82 1aij h MET 193 Ca -0.46 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1aij h MET 193 Cb 1.25 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1aij h MET 193 CO 0.91 0.58 0.00 0.00 1.06 0.00 0.00 176.91 179.46 1aij n GLN 194 N -4.68 0.73 -0.02 1.72 0.00 -1.26 -1.89 117.38 111.98 1aij n GLN 194 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 57.00 57.18 1aij n GLN 194 Cb 0.32 -1.09 0.03 0.00 0.00 0.00 0.00 30.24 29.50 1aij n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1aij n MET 195 N -0.59 2.67 -4.43 2.61 2.81 -0.15 -5.05 117.12 115.00 1aij n MET 195 Ca 0.03 -1.72 -0.22 0.00 -1.81 0.00 0.00 57.70 53.99 1aij n MET 195 Cb 0.01 -1.10 -0.10 0.00 -0.71 0.00 0.00 33.22 31.32 1aij n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1aij s VAL 196 N -1.36 2.07 -0.23 2.03 -7.23 -0.79 -4.41 120.40 110.48 1aij s VAL 196 Ca 0.06 -2.28 0.02 0.00 -1.81 0.00 0.00 61.98 57.97 1aij s VAL 196 Cb 0.06 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.78 1aij s VAL 196 CO 0.01 -0.43 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.53 1aij s LYS 197 N -3.60 1.97 -0.28 4.82 2.47 -0.02 -4.96 119.74 120.14 1aij s LYS 197 Ca 0.28 -1.08 -0.27 0.00 -1.56 0.00 0.00 55.97 53.34 1aij s LYS 197 Cb -0.01 -2.66 0.01 0.00 -1.46 0.00 0.00 37.83 33.71 1aij s LYS 197 CO 0.12 -0.54 0.96 0.08 0.16 0.00 0.00 175.35 176.13 1aij s VAL 198 N 1.29 4.68 0.47 4.02 1.01 -1.26 -0.40 120.40 130.20 1aij s VAL 198 Ca -0.06 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1aij s VAL 198 Cb -0.19 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 31.96 1aij s VAL 198 CO -0.06 -0.27 0.34 0.00 0.00 0.00 0.00 175.10 175.11 1aij n GLN 199 N 6.42 0.80 0.22 2.72 6.02 0.40 -4.99 117.38 128.96 1aij n GLN 199 Ca 0.09 -2.92 0.09 0.00 -0.01 0.00 0.00 57.00 54.24 1aij n GLN 199 Cb 0.47 0.32 0.49 0.00 1.02 0.00 0.00 30.24 32.54 1aij n GLN 199 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1aij h SER 200 N 0.57 0.00 0.00 1.08 4.64 -2.01 -3.32 113.55 114.51 1aij h SER 200 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1aij h SER 200 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1aij h SER 200 CO 0.47 0.25 -0.08 -0.46 -0.87 0.00 0.00 176.83 176.15 1aij n ASN 201 N -3.58 0.75 -3.56 4.97 6.94 -1.26 -5.10 115.26 114.43 1aij n ASN 201 Ca -0.01 -1.60 -0.07 0.00 -0.02 0.00 0.00 54.58 52.88 1aij n ASN 201 Cb 0.40 -0.07 -0.03 0.00 -2.36 0.00 0.00 39.78 37.72 1aij n ASN 201 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1aij s ARG 202 N -0.52 0.57 -0.17 -3.83 3.52 -1.25 -4.52 118.95 112.75 1aij s ARG 202 Ca 0.03 -0.14 -0.02 0.00 -0.13 0.00 0.00 55.73 55.47 1aij s ARG 202 Cb 0.02 0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1aij s ARG 202 CO 0.00 -0.23 -0.10 0.08 -0.81 0.00 0.00 175.30 174.24 1aij s VAL 203 N -2.40 3.16 -0.14 7.11 1.01 0.02 -0.45 120.40 128.70 1aij s VAL 203 Ca 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1aij s VAL 203 Cb -0.01 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1aij s VAL 203 CO -0.05 0.49 -0.01 -2.28 0.00 0.00 0.00 175.10 173.25 1aij s HIS 204 N 0.82 3.11 -0.32 5.22 2.46 0.46 -0.33 115.29 126.70 1aij s HIS 204 Ca -0.03 -0.08 -0.03 0.00 0.47 0.00 0.00 55.06 55.39 1aij s HIS 204 Cb -0.15 -1.93 0.06 0.00 -0.13 0.00 0.00 32.58 30.43 1aij s HIS 204 CO 0.01 0.15 0.05 0.08 -2.47 0.00 0.00 174.74 172.56 1aij s VAL 205 N -0.00 3.18 0.24 0.89 1.01 0.22 -0.84 120.40 125.10 1aij s VAL 205 Ca 0.02 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.57 1aij s VAL 205 Cb -0.13 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1aij s VAL 205 CO 0.02 -0.22 1.60 -1.13 0.00 0.00 0.00 175.10 175.37 1aij h ASN 206 N 8.04 0.41 0.47 3.32 -0.00 -1.85 -2.73 115.58 123.24 1aij h ASN 206 Ca -0.20 -0.20 -0.04 0.00 -0.00 0.00 0.00 56.30 55.86 1aij h ASN 206 Cb 1.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 39.26 1aij h ASN 206 CO 0.57 0.83 -0.18 0.00 -0.00 0.00 0.00 177.43 178.65 1aij h ALA 207 N 1.18 1.26 -3.74 1.57 0.00 -1.87 -3.40 119.26 114.26 1aij h ALA 207 Ca 0.01 -0.17 -0.51 0.00 0.00 0.00 0.00 54.91 54.25 1aij h ALA 207 Cb 0.97 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.42 1aij h ALA 207 CO 0.08 0.23 -0.82 -0.51 0.00 0.00 0.00 179.25 178.24 1aij s LEU 208 N -7.36 1.80 0.68 0.00 1.02 -1.24 -3.71 118.68 109.87 1aij s LEU 208 Ca -0.02 -0.29 -0.11 0.00 0.02 0.00 0.00 54.13 53.73 1aij s LEU 208 Cb 0.13 -0.80 0.00 0.00 0.02 0.00 0.00 46.19 45.54 1aij s LEU 208 CO 0.62 0.09 1.07 -0.94 0.02 0.00 0.00 176.35 177.22 1aij s SER 209 N 0.26 5.63 0.20 2.29 1.04 -1.26 -0.70 113.70 121.17 1aij s SER 209 Ca -0.07 1.25 -0.10 0.00 0.48 0.00 0.00 55.95 57.52 1aij s SER 209 Cb -0.12 -2.13 0.20 0.00 0.10 0.00 0.00 66.02 64.07 1aij s SER 209 CO 0.02 -1.24 1.83 0.77 0.98 0.00 0.00 173.24 175.60 1aij h SER 210 N -0.58 0.63 0.00 7.02 4.64 -1.87 -0.74 113.55 122.65 1aij h SER 210 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1aij h SER 210 Cb 1.23 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1aij h SER 210 CO 0.63 0.43 0.16 -2.24 -0.87 0.00 0.00 176.83 174.93 1aij h ASP 211 N 0.76 0.00 0.35 4.97 3.04 -1.94 -1.35 116.42 122.26 1aij h ASP 211 Ca 0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 1aij h ASP 211 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1aij h ASP 211 CO -0.13 0.00 -0.69 0.18 -2.04 0.00 0.00 179.24 176.55 1aij n LEU 212 N -2.96 0.66 -0.21 0.15 4.77 -0.28 -4.35 117.00 114.77 1aij n LEU 212 Ca -0.02 -0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 55.80 1aij n LEU 212 Cb 0.21 -0.16 0.22 0.00 -2.33 0.00 0.00 43.42 41.36 1aij n LEU 212 CO 0.17 0.15 1.18 -0.26 -1.33 0.00 0.00 177.39 177.30 1aij h PHE 213 N 0.00 0.96 0.00 -1.77 -1.00 -1.29 -2.09 116.94 111.76 1aij h PHE 213 Ca 0.00 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1aij h PHE 213 Cb 0.52 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.77 1aij h PHE 213 CO 0.00 0.65 -0.08 0.00 -1.61 0.00 0.00 178.31 177.27 1aij h ALA 214 N 1.46 1.61 -0.01 2.45 0.00 -1.77 -2.46 119.26 120.55 1aij h ALA 214 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1aij h ALA 214 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1aij h ALA 214 CO -0.05 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1aij n GLY 215 N -1.12 -0.74 3.71 0.00 0.00 -0.79 -4.83 105.19 101.43 1aij n GLY 215 Ca -0.03 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1aij n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aij s ILE 216 N -2.00 2.78 0.15 -0.61 1.01 -0.93 -4.93 121.20 116.68 1aij s ILE 216 Ca 0.45 0.52 -0.32 0.00 0.00 0.00 0.00 60.65 61.30 1aij s ILE 216 Cb 0.21 -3.33 -0.17 0.00 0.01 0.00 0.00 42.46 39.18 1aij s ILE 216 CO 0.36 0.03 0.86 -2.65 0.00 0.00 0.00 174.94 173.54 1aij n PRO 217 N 4.24 0.41 -3.42 2.79 -0.02 -1.26 -4.99 135.00 132.75 1aij n PRO 217 Ca 0.14 0.15 -0.24 0.00 -2.02 0.00 0.00 63.50 61.53 1aij n PRO 217 Cb 0.39 -1.42 -0.01 0.00 -0.02 0.00 0.00 33.50 32.44 1aij n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1aij s THR 218 N -0.57 5.12 0.30 3.45 -4.23 -1.26 -4.75 115.64 113.69 1aij s THR 218 Ca 0.72 -0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1aij s THR 218 Cb -0.97 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 68.97 1aij s THR 218 CO 0.56 -0.54 0.50 0.27 -0.54 0.00 0.00 174.62 174.86 1aij s ILE 219 N -2.29 5.13 -0.10 2.99 -4.36 -1.26 -4.99 121.20 116.31 1aij s ILE 219 Ca 0.40 -0.41 -0.18 0.00 -0.26 0.00 0.00 60.65 60.19 1aij s ILE 219 Cb -0.10 -3.82 -0.27 0.00 1.25 0.00 0.00 42.46 39.53 1aij s ILE 219 CO 0.36 -0.42 0.61 0.11 0.24 0.00 0.00 174.94 175.83 1aij h LYS 220 N 1.19 0.22 -5.61 0.37 1.57 -2.00 -3.45 116.57 108.85 1aij h LYS 220 Ca -0.49 -0.37 -0.64 0.00 -1.87 0.00 0.00 60.65 57.28 1aij h LYS 220 Cb 1.21 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 33.58 1aij h LYS 220 CO 0.63 1.18 -0.42 0.45 -0.57 0.00 0.00 179.45 180.73 1aij s SER 221 N -6.95 6.43 0.55 0.86 0.15 -1.26 -4.99 113.70 108.48 1aij s SER 221 Ca -0.19 0.51 0.37 0.00 0.70 0.00 0.00 55.95 57.33 1aij s SER 221 Cb 0.03 -2.12 1.89 0.00 -1.71 0.00 0.00 66.02 64.12 1aij s SER 221 CO 0.76 0.31 2.11 -0.65 1.20 0.00 0.00 173.24 176.97 1aij h PRO 222 N 5.47 0.00 -0.02 5.44 0.11 -2.05 -3.26 132.00 137.70 1aij h PRO 222 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1aij h PRO 222 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1aij h PRO 222 CO 0.64 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 1aij n THR 223 N -2.85 0.00 -3.85 -1.15 -2.24 -1.26 -4.92 114.28 98.01 1aij n THR 223 Ca -0.02 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 1aij n THR 223 Cb 0.11 1.28 -0.08 0.00 -2.10 0.00 0.00 70.33 69.55 1aij n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aij s GLU 224 N -1.14 0.80 -0.01 -0.78 -1.05 -1.23 -4.37 118.70 110.92 1aij s GLU 224 Ca 0.16 -0.87 0.05 0.00 -0.15 0.00 0.00 54.97 54.16 1aij s GLU 224 Cb 0.11 0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 34.12 1aij s GLU 224 CO 0.17 -0.25 -0.16 0.54 0.95 0.00 0.00 175.26 176.51 1aij s VAL 225 N -3.51 1.29 0.33 1.83 0.11 -1.26 -4.47 120.40 114.72 1aij s VAL 225 Ca 0.02 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1aij s VAL 225 Cb 0.03 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1aij s VAL 225 CO -0.09 0.37 0.52 0.42 -3.33 0.00 0.00 175.10 172.98 1aij s THR 226 N -0.38 5.07 0.32 5.04 -4.23 -1.26 -4.11 115.64 116.09 1aij s THR 226 Ca 0.06 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1aij s THR 226 Cb -0.06 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.22 1aij s THR 226 CO -0.01 -0.50 1.92 -0.07 -0.54 0.00 0.00 174.62 175.43 1aij h LEU 227 N 0.81 0.82 -0.48 4.79 3.38 -1.25 0.45 115.31 123.83 1aij h LEU 227 Ca -0.50 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1aij h LEU 227 Cb 1.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1aij h LEU 227 CO 0.61 0.53 0.31 0.25 0.09 0.00 0.00 178.44 180.22 1aij h LEU 228 N 0.93 0.57 -0.29 1.67 5.85 -1.58 -0.31 115.31 122.15 1aij h LEU 228 Ca 0.37 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 1aij h LEU 228 Cb 0.24 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1aij h LEU 228 CO -0.14 0.43 0.02 -0.33 -0.34 0.00 0.00 178.44 178.08 1aij h GLU 229 N 0.65 0.50 -0.64 1.25 5.08 -1.54 -2.09 114.58 117.78 1aij h GLU 229 Ca 0.18 -0.15 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1aij h GLU 229 Cb -0.04 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.09 1aij h GLU 229 CO -0.04 0.63 0.29 0.93 -1.00 0.00 0.00 179.01 179.82 1aij h GLU 230 N 0.30 0.49 -0.63 2.33 5.08 -0.66 0.15 114.58 121.63 1aij h GLU 230 Ca 0.08 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1aij h GLU 230 Cb 0.40 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1aij h GLU 230 CO 0.01 0.32 0.04 0.22 -1.00 0.00 0.00 179.01 178.61 1aij h ASP 231 N 0.50 1.05 0.10 1.42 3.58 -0.94 0.89 116.42 123.02 1aij h ASP 231 Ca 0.32 -0.28 -0.13 0.00 0.42 0.00 0.00 57.03 57.35 1aij h ASP 231 Cb 0.34 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1aij h ASP 231 CO -0.27 1.08 -0.46 0.11 -2.88 0.00 0.00 179.24 176.82 1aij h LYS 232 N 1.00 0.43 0.17 0.28 1.57 -0.53 -0.02 116.57 119.47 1aij h LYS 232 Ca 0.19 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1aij h LYS 232 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1aij h LYS 232 CO 0.02 0.80 -0.08 0.82 -0.57 0.00 0.00 179.45 180.45 1aij h ILE 233 N 0.35 0.94 -0.39 1.86 2.04 -0.41 -1.78 117.51 120.12 1aij h ILE 233 Ca 0.02 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1aij h ILE 233 Cb 0.94 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1aij h ILE 233 CO 0.08 0.20 0.05 0.00 0.00 0.00 0.00 178.15 178.48 1aij h GLY 235 N 0.85 -0.19 0.56 0.00 0.00 -1.00 -1.52 103.07 101.77 1aij h GLY 235 Ca 0.13 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.56 1aij h GLY 235 CO 0.00 -0.07 -0.13 -1.82 0.00 0.00 0.00 176.54 174.52 1aij h TYR 236 N -0.43 -0.33 -0.19 5.60 5.03 -1.01 -0.64 116.97 125.00 1aij h TYR 236 Ca -0.02 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1aij h TYR 236 Cb 0.34 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1aij h TYR 236 CO 0.01 -0.20 0.10 0.28 -1.32 0.00 0.00 178.16 177.03 1aij h VAL 237 N -0.18 1.12 -0.60 1.81 2.07 -1.16 -2.71 116.25 116.60 1aij h VAL 237 Ca 0.07 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1aij h VAL 237 Cb 0.29 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1aij h VAL 237 CO -0.19 0.12 0.16 0.00 0.02 0.00 0.00 177.57 177.67 1aij h ALA 238 N 0.97 1.15 -0.27 1.67 0.00 -1.14 -2.12 119.26 119.52 1aij h ALA 238 Ca 0.07 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1aij h ALA 238 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1aij h ALA 238 CO -0.01 0.58 0.36 0.78 0.00 0.00 0.00 179.25 180.96 1aij h GLY 239 N 1.01 0.00 2.00 0.00 0.00 -0.65 -1.70 103.07 103.73 1aij h GLY 239 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1aij h GLY 239 CO -0.00 0.00 -0.17 -1.33 0.00 0.00 0.00 176.54 175.04 1aij h GLY 240 N 0.00 0.00 1.34 4.60 0.00 -1.21 -1.64 103.07 106.16 1aij h GLY 240 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.48 1aij h GLY 240 CO -0.00 0.00 0.41 1.41 0.00 0.00 0.00 176.54 178.36 1aij h LEU 241 N 0.00 0.67 0.00 3.11 3.38 -1.38 0.25 115.31 121.34 1aij h LEU 241 Ca -0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1aij h LEU 241 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1aij h LEU 241 CO 0.02 0.48 -0.66 -0.03 0.09 0.00 0.00 178.44 178.34 1aij h MET 242 N 0.79 0.00 0.00 1.13 4.05 -1.69 -3.38 114.93 115.82 1aij h MET 242 Ca 0.24 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.55 1aij h MET 242 Cb -0.02 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 1aij h MET 242 CO -0.06 0.68 -0.52 1.88 0.23 0.00 0.00 176.91 179.12 1aij h TYR 243 N -1.00 0.00 -0.01 1.39 0.05 -1.22 -3.11 116.97 113.07 1aij h TYR 243 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1aij h TYR 243 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1aij h TYR 243 CO 0.07 0.52 -0.06 0.00 -1.05 0.00 0.00 178.16 177.64 1aij n ALA 244 N -2.23 2.70 -0.30 3.88 0.00 0.88 -4.49 120.51 120.94 1aij n ALA 244 Ca 0.02 -0.40 0.25 0.00 0.00 0.00 0.00 53.44 53.30 1aij n ALA 244 Cb 0.74 -1.20 0.57 0.00 0.00 0.00 0.00 19.45 19.56 1aij n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aij h ALA 245 N 4.13 2.45 -0.91 0.00 0.00 -1.62 -0.53 119.26 122.78 1aij h ALA 245 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1aij h ALA 245 Cb 0.45 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1aij h ALA 245 CO 0.00 -0.81 0.58 -1.35 0.00 0.00 0.00 179.25 177.67 1aij h PRO 246 N 0.29 0.76 -0.01 0.00 0.11 -1.85 -2.78 132.00 128.51 1aij h PRO 246 Ca 0.56 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1aij h PRO 246 Cb 1.63 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1aij h PRO 246 CO -0.20 0.50 -0.20 1.63 -0.21 0.00 0.00 178.00 179.52 1aij n LYS 247 N -4.57 1.07 -2.59 1.05 5.02 -0.22 -4.84 118.16 113.08 1aij n LYS 247 Ca 0.17 -0.64 -0.43 0.00 -2.02 0.00 0.00 58.31 55.39 1aij n LYS 247 Cb 0.42 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1aij n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1aij s ARG 248 N -2.37 3.74 0.61 1.97 3.52 -1.05 -3.61 118.95 121.75 1aij s ARG 248 Ca 0.28 0.62 -0.17 0.00 -0.13 0.00 0.00 55.73 56.33 1aij s ARG 248 Cb 0.20 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 1aij s ARG 248 CO 0.47 -1.36 1.11 0.15 -0.81 0.00 0.00 175.30 174.86 1aij s LYS 249 N 4.44 3.08 0.95 5.12 1.02 -0.76 -4.99 119.74 128.60 1aij s LYS 249 Ca 0.49 1.44 -0.11 0.00 0.02 0.00 0.00 55.97 57.80 1aij s LYS 249 Cb -0.08 -1.98 0.16 0.00 -0.52 0.00 0.00 37.83 35.41 1aij s LYS 249 CO 0.31 -1.04 1.10 -1.54 -0.92 0.00 0.00 175.35 173.26 1aij s SER 250 N -2.32 2.77 0.37 2.83 1.04 -1.26 -4.81 113.70 112.32 1aij s SER 250 Ca 0.68 1.85 0.07 0.00 0.48 0.00 0.00 55.95 59.03 1aij s SER 250 Cb -0.21 -2.42 0.79 0.00 0.10 0.00 0.00 66.02 64.28 1aij s SER 250 CO 0.35 -3.14 1.96 0.58 0.98 0.00 0.00 173.24 173.97 1aij h VAL 251 N -1.89 1.00 0.84 5.02 2.07 -1.99 -1.77 116.25 119.52 1aij h VAL 251 Ca -0.49 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1aij h VAL 251 Cb 1.28 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1aij h VAL 251 CO 0.47 0.13 -0.40 0.58 0.02 0.00 0.00 177.57 178.37 1aij h VAL 252 N 0.70 0.17 -0.70 2.57 2.07 -1.94 -2.35 116.25 116.77 1aij h VAL 252 Ca 0.31 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.89 1aij h VAL 252 Cb 0.31 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1aij h VAL 252 CO -0.10 0.00 0.46 0.00 0.02 0.00 0.00 177.57 177.95 1aij h ALA 253 N -0.97 1.78 0.00 1.67 0.00 -1.74 -2.59 119.26 117.41 1aij h ALA 253 Ca -0.11 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1aij h ALA 253 Cb 0.86 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1aij h ALA 253 CO 0.19 0.09 -0.66 0.00 0.00 0.00 0.00 179.25 178.88 1aij h ALA 254 N 1.63 0.60 -1.11 0.00 0.00 -1.29 -3.34 119.26 115.75 1aij h ALA 254 Ca 0.31 -0.60 -0.78 0.00 0.00 0.00 0.00 54.91 53.84 1aij h ALA 254 Cb 0.35 -0.11 -0.26 0.00 0.00 0.00 0.00 17.79 17.77 1aij h ALA 254 CO -0.10 0.82 1.08 -0.12 0.00 0.00 0.00 179.25 180.93 1aij n MET 255 N -3.30 4.19 0.00 0.00 1.56 -0.89 -5.10 117.12 113.57 1aij n MET 255 Ca 0.01 -4.08 0.00 0.00 -0.27 0.00 0.00 57.70 53.36 1aij n MET 255 Cb 0.78 -2.38 0.00 0.00 2.15 0.00 0.00 33.22 33.77 1aij n MET 255 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13