#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hds s LEU 2 N 0.00 1.82 0.80 1.34 1.02 -1.26 -5.01 118.68 117.39 1hds s LEU 2 Ca 0.00 -0.36 -0.22 0.00 0.02 0.00 0.00 54.13 53.57 1hds s LEU 2 Cb 0.00 -0.97 -0.16 0.00 0.02 0.00 0.00 46.19 45.09 1hds s LEU 2 CO 0.00 0.10 -1.22 -1.20 0.02 0.00 0.00 176.35 174.05 1hds n SER 3 N 3.50 -2.57 -0.43 2.29 7.64 -1.26 -4.62 113.62 118.16 1hds n SER 3 Ca -0.20 0.01 0.07 0.00 1.01 0.00 0.00 58.87 59.76 1hds n SER 3 Cb 0.52 -0.42 0.17 0.00 -1.01 0.00 0.00 64.21 63.48 1hds n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hds n ALA 4 N -2.76 3.02 -0.01 -0.43 0.00 -1.26 -1.59 120.51 117.47 1hds n ALA 4 Ca -0.02 -2.93 0.04 0.00 0.00 0.00 0.00 53.44 50.53 1hds n ALA 4 Cb 0.60 -0.38 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 1hds n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hds n ALA 5 N -1.14 2.28 -0.47 0.00 0.00 -1.26 -4.41 120.51 115.52 1hds n ALA 5 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1hds n ALA 5 Cb 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1hds n ALA 5 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hds n ASN 6 N -1.84 0.00 -0.38 0.00 5.03 -1.22 -3.06 115.26 113.79 1hds n ASN 6 Ca -0.03 0.77 0.32 0.00 0.87 0.00 0.00 54.58 56.51 1hds n ASN 6 Cb 0.27 -0.27 0.50 0.00 -1.02 0.00 0.00 39.78 39.26 1hds n ASN 6 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1hds n LYS 7 N -1.40 0.00 0.11 3.52 5.02 -0.62 -1.43 118.16 123.36 1hds n LYS 7 Ca 0.00 0.80 -0.08 0.00 -2.02 0.00 0.00 58.31 57.01 1hds n LYS 7 Cb 0.00 -1.92 -0.05 0.00 -0.02 0.00 0.00 35.03 33.05 1hds n LYS 7 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1hds h SER 8 N 0.00 -0.70 0.00 4.39 0.87 -1.77 -2.86 113.55 113.48 1hds h SER 8 Ca 0.57 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1hds h SER 8 Cb 2.61 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 64.81 1hds h SER 8 CO -0.01 -0.30 0.00 0.59 -0.53 0.00 0.00 176.83 176.59 1hds n ASN 9 N -3.84 0.00 -0.01 6.23 3.02 -0.51 0.11 115.26 120.25 1hds n ASN 9 Ca -0.05 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 1hds n ASN 9 Cb 0.21 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.11 1hds n ASN 9 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1hds n VAL 10 N -1.94 -0.01 0.09 2.41 0.31 -1.23 -1.96 118.33 116.00 1hds n VAL 10 Ca 0.00 0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1hds n VAL 10 Cb 0.00 -0.11 -0.02 0.00 -0.91 0.00 0.00 33.84 32.80 1hds n VAL 10 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1hds h LYS 11 N 0.00 -0.27 0.00 5.55 1.79 -1.25 0.42 116.57 122.82 1hds h LYS 11 Ca 0.02 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1hds h LYS 11 Cb 0.04 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1hds h LYS 11 CO -0.03 -0.18 0.00 0.00 -1.08 0.00 0.00 179.45 178.16 1hds n ALA 12 N -2.44 2.05 0.12 3.86 0.00 0.30 0.17 120.51 124.57 1hds n ALA 12 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1hds n ALA 12 Cb 0.11 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 1hds n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hds h ALA 13 N 2.87 -0.65 -0.96 0.00 0.00 -1.42 0.99 119.26 120.09 1hds h ALA 13 Ca 0.00 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.04 1hds h ALA 13 Cb 0.29 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 1hds h ALA 13 CO 0.00 -0.63 0.55 2.35 0.00 0.00 0.00 179.25 181.52 1hds h TRP 14 N -0.50 0.95 0.00 0.00 -0.00 -0.45 0.35 115.95 116.30 1hds h TRP 14 Ca -0.03 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1hds h TRP 14 Cb 0.24 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 29.13 1hds h TRP 14 CO 0.08 0.15 0.00 0.78 -0.00 0.00 0.00 178.44 179.45 1hds h GLY 15 N 0.65 0.00 1.35 2.65 0.00 -0.16 -2.23 103.07 105.33 1hds h GLY 15 Ca 0.57 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.61 1hds h GLY 15 CO -0.42 0.00 -1.24 1.70 0.00 0.00 0.00 176.54 176.58 1hds h LYS 16 N 0.00 0.53 0.00 4.80 3.64 0.51 -3.31 116.57 122.73 1hds h LYS 16 Ca 0.00 -0.73 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1hds h LYS 16 Cb 0.78 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1hds h LYS 16 CO 0.00 1.32 0.00 0.28 -2.27 0.00 0.00 179.45 178.78 1hds n VAL 17 N -3.73 0.00 0.00 2.00 0.31 -0.68 -4.94 118.33 111.29 1hds n VAL 17 Ca -0.12 1.26 0.00 0.00 -0.01 0.00 0.00 64.34 65.47 1hds n VAL 17 Cb 0.99 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1hds n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hds n GLY 18 N -0.86 0.36 0.00 2.92 0.00 -0.98 -4.18 105.19 102.44 1hds n GLY 18 Ca 0.00 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.34 1hds n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hds n GLY 19 N 0.00 -1.25 0.00 -0.02 0.00 -1.26 -3.82 105.19 98.84 1hds n GLY 19 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1hds n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hds n ASN 20 N -1.31 0.00 0.00 1.61 3.02 -1.26 -3.10 115.26 114.22 1hds n ASN 20 Ca 0.12 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1hds n ASN 20 Cb 0.24 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1hds n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hds n ALA 21 N -1.31 0.00 0.09 5.41 0.00 -1.25 -0.75 120.51 122.70 1hds n ALA 21 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1hds n ALA 21 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1hds n ALA 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hds h PRO 22 N 0.00 0.45 -0.18 0.00 0.11 -1.85 -3.31 132.00 127.22 1hds h PRO 22 Ca 0.00 -0.71 0.05 0.00 0.11 0.00 0.00 66.00 65.46 1hds h PRO 22 Cb 0.00 0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1hds h PRO 22 CO 0.00 1.32 0.22 0.00 -0.21 0.00 0.00 178.00 179.33 1hds h ALA 23 N 0.16 1.77 -1.97 -0.75 0.00 -1.18 -2.89 119.26 114.40 1hds h ALA 23 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1hds h ALA 23 Cb 1.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1hds h ALA 23 CO 0.21 -0.31 0.00 0.66 0.00 0.00 0.00 179.25 179.81 1hds n TYR 24 N -3.72 0.00 -0.25 0.00 4.01 -1.23 -2.57 117.16 113.40 1hds n TYR 24 Ca 0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 1hds n TYR 24 Cb 0.34 -0.17 0.24 0.00 -0.31 0.00 0.00 39.34 39.44 1hds n TYR 24 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1hds h GLY 25 N 0.00 1.15 -0.64 2.72 0.00 -1.60 -1.47 103.07 103.23 1hds h GLY 25 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.02 1hds h GLY 25 CO 0.00 0.36 -0.46 0.00 0.00 0.00 0.00 176.54 176.44 1hds h ALA 26 N 1.52 -0.31 0.00 3.60 0.00 -1.65 0.09 119.26 122.50 1hds h ALA 26 Ca 0.32 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1hds h ALA 26 Cb 0.00 1.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1hds h ALA 26 CO -0.09 -0.83 -0.04 0.37 0.00 0.00 0.00 179.25 178.66 1hds h GLN 27 N -0.17 0.00 0.01 0.00 4.15 -1.12 -0.75 115.11 117.23 1hds h GLN 27 Ca 0.20 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.31 1hds h GLN 27 Cb 0.55 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 1hds h GLN 27 CO -0.77 0.04 -1.78 0.00 -1.93 0.00 0.00 178.83 174.40 1hds n ALA 28 N -2.18 1.44 -0.04 3.38 0.00 -0.20 -1.83 120.51 121.07 1hds n ALA 28 Ca -0.02 -0.78 -0.16 0.00 0.00 0.00 0.00 53.44 52.48 1hds n ALA 28 Cb 0.17 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 1hds n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hds h LEU 29 N 0.01 0.70 -0.18 0.00 4.07 -0.97 0.36 115.31 119.30 1hds h LEU 29 Ca -0.31 -0.61 -0.20 0.00 0.08 0.00 0.00 57.88 56.83 1hds h LEU 29 Cb 2.03 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 43.55 1hds h LEU 29 CO 0.08 1.19 -0.94 -0.61 -1.08 0.00 0.00 178.44 177.08 1hds h GLN 30 N 0.25 0.09 0.00 1.13 4.15 -1.28 -3.28 115.11 116.16 1hds h GLN 30 Ca -0.02 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1hds h GLN 30 Cb 1.14 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1hds h GLN 30 CO 0.11 0.96 0.00 -2.13 -1.93 0.00 0.00 178.83 175.83 1hds n ARG 31 N -3.52 0.00 0.21 1.69 0.63 -0.63 -3.88 116.66 111.15 1hds n ARG 31 Ca -0.02 0.17 0.06 0.00 -0.92 0.00 0.00 57.85 57.14 1hds n ARG 31 Cb 0.87 -1.02 0.34 0.00 0.45 0.00 0.00 32.46 33.10 1hds n ARG 31 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1hds h MET 32 N 0.00 0.00 -0.17 -0.14 -1.53 -0.38 -2.61 114.93 110.10 1hds h MET 32 Ca 0.00 0.00 -0.20 0.00 -3.44 0.00 0.00 59.70 56.06 1hds h MET 32 Cb 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.06 1hds h MET 32 CO 0.00 0.00 -0.69 0.74 0.14 0.00 0.00 176.91 177.10 1hds h PHE 33 N 0.00 1.01 0.00 1.39 0.04 -1.70 -0.45 116.94 117.23 1hds h PHE 33 Ca 0.00 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1hds h PHE 33 Cb 0.90 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1hds h PHE 33 CO 0.00 1.25 0.00 1.28 -0.60 0.00 0.00 178.31 180.24 1hds n LEU 34 N -4.01 0.00 0.32 1.54 4.32 -0.98 -3.00 117.00 115.19 1hds n LEU 34 Ca -0.07 0.89 0.21 0.00 -0.02 0.00 0.00 56.01 57.01 1hds n LEU 34 Cb 0.70 -0.39 1.09 0.00 -1.62 0.00 0.00 43.42 43.20 1hds n LEU 34 CO 0.51 -0.39 1.14 0.77 -1.22 0.00 0.00 177.39 178.21 1hds h SER 35 N 0.00 0.00 0.00 -1.43 4.64 -1.72 -3.39 113.55 111.65 1hds h SER 35 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1hds h SER 35 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1hds h SER 35 CO 0.00 0.01 -0.11 0.49 -0.87 0.00 0.00 176.83 176.35 1hds n PHE 36 N -3.19 -1.26 -0.13 4.77 3.72 -0.18 -4.95 117.46 116.24 1hds n PHE 36 Ca -0.02 -1.15 0.12 0.00 -0.05 0.00 0.00 57.45 56.35 1hds n PHE 36 Cb 0.12 1.31 0.22 0.00 -0.94 0.00 0.00 39.48 40.19 1hds n PHE 36 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1hds n PRO 37 N 0.70 -0.02 0.15 -1.08 -0.02 -1.16 -3.49 135.00 130.07 1hds n PRO 37 Ca -0.01 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 1hds n PRO 37 Cb 0.73 -0.91 0.43 0.00 -0.02 0.00 0.00 33.50 33.72 1hds n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hds h THR 38 N 0.00 0.00 0.00 3.45 1.03 -1.93 0.83 112.91 116.29 1hds h THR 38 Ca 0.32 -0.49 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1hds h THR 38 Cb 0.87 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 1hds h THR 38 CO -0.26 0.00 -0.70 1.07 -0.01 0.00 0.00 175.52 175.62 1hds n THR 39 N -2.48 0.01 0.29 0.00 5.66 -1.23 -4.25 114.28 112.28 1hds n THR 39 Ca 0.04 -0.02 0.03 0.00 -3.05 0.00 0.00 64.05 61.05 1hds n THR 39 Cb 0.37 0.49 0.16 0.00 -1.55 0.00 0.00 70.33 69.81 1hds n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1hds n LYS 40 N -1.53 0.05 0.11 1.09 5.02 0.29 -2.45 118.16 120.73 1hds n LYS 40 Ca 0.05 0.31 -0.18 0.00 -2.02 0.00 0.00 58.31 56.46 1hds n LYS 40 Cb 0.34 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 1hds n LYS 40 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1hds h THR 41 N 0.00 1.37 0.00 -0.18 2.02 -1.77 0.37 112.91 114.72 1hds h THR 41 Ca 0.00 -2.92 0.00 0.00 0.77 0.00 0.00 66.41 64.26 1hds h THR 41 Cb 0.10 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1hds h THR 41 CO 0.00 0.86 0.00 -1.22 0.37 0.00 0.00 175.52 175.53 1hds n TYR 42 N -3.57 0.45 -3.23 3.16 4.02 -1.02 -4.10 117.16 112.87 1hds n TYR 42 Ca -0.12 0.14 -0.24 0.00 -0.01 0.00 0.00 57.90 57.67 1hds n TYR 42 Cb 1.05 -0.73 -0.06 0.00 -0.02 0.00 0.00 39.34 39.58 1hds n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1hds n PHE 43 N -1.88 1.37 0.00 -0.72 3.01 0.13 -4.80 117.46 114.56 1hds n PHE 43 Ca 0.05 -3.82 0.00 0.00 1.01 0.00 0.00 57.45 54.69 1hds n PHE 43 Cb 0.34 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 1hds n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1hds n PRO 44 N 0.87 0.00 0.00 -1.08 -0.04 -1.25 -3.89 135.00 129.62 1hds n PRO 44 Ca 0.25 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1hds n PRO 44 Cb 0.50 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 1hds n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1hds n HIS 45 N -1.42 0.00 -3.77 0.54 1.44 -1.26 -4.63 115.22 106.11 1hds n HIS 45 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1hds n HIS 45 Cb 0.00 -0.34 -0.05 0.00 0.12 0.00 0.00 29.99 29.73 1hds n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hds s PHE 46 N -3.38 3.52 -0.31 -1.40 0.40 -1.25 -5.04 117.98 110.52 1hds s PHE 46 Ca 0.00 0.47 -0.15 0.00 -0.60 0.00 0.00 56.93 56.65 1hds s PHE 46 Cb 0.00 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1hds s PHE 46 CO 0.00 0.54 0.37 0.34 0.70 0.00 0.00 175.22 177.17 1hds s ASP 47 N -2.21 6.21 0.00 1.36 3.68 -1.26 -4.77 116.67 119.67 1hds s ASP 47 Ca 0.35 -0.01 0.00 0.00 2.13 0.00 0.00 52.55 55.02 1hds s ASP 47 Cb -0.13 -2.20 0.00 0.00 -1.45 0.00 0.00 42.92 39.14 1hds s ASP 47 CO 0.23 -0.28 0.00 -0.11 0.13 0.00 0.00 175.17 175.14 1hds n LEU 48 N 5.38 0.00 0.00 -1.34 7.94 -1.26 -4.31 117.00 123.41 1hds n LEU 48 Ca -0.09 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.66 1hds n LEU 48 Cb 0.50 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.41 1hds n LEU 48 CO 0.39 0.00 -0.11 -0.24 -1.11 0.00 0.00 177.39 176.33 1hds n SER 49 N 0.00 1.54 0.00 1.96 2.88 -1.26 -5.15 113.62 113.59 1hds n SER 49 Ca 0.00 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 1hds n SER 49 Cb 0.00 0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1hds n SER 49 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1hds n HIS 50 N -0.58 0.00 -2.35 0.66 -0.00 -1.26 -4.87 115.22 106.81 1hds n HIS 50 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.24 1hds n HIS 50 Cb 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.33 1hds n HIS 50 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1hds s GLY 51 N -0.43 1.52 -0.11 -1.41 0.00 -1.26 -4.90 107.32 100.73 1hds s GLY 51 Ca 0.00 0.40 0.03 0.00 0.00 0.00 0.00 44.72 45.16 1hds s GLY 51 CO 0.00 2.63 -0.22 -1.35 0.00 0.00 0.00 173.10 174.15 1hds s SER 52 N 2.56 2.96 0.04 1.64 1.04 -1.26 -5.01 113.70 115.67 1hds s SER 52 Ca 0.59 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 56.54 1hds s SER 52 Cb -0.22 -1.36 0.32 0.00 0.10 0.00 0.00 66.02 64.86 1hds s SER 52 CO 0.20 0.12 1.21 0.00 0.98 0.00 0.00 173.24 175.75 1hds n ALA 53 N 3.73 1.20 0.04 5.32 0.00 -1.26 -2.32 120.51 127.21 1hds n ALA 53 Ca -0.20 0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 1hds n ALA 53 Cb 0.52 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 1hds n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1hds h GLN 54 N 0.00 0.55 -0.06 0.00 4.20 -1.96 -1.83 115.11 116.02 1hds h GLN 54 Ca 0.00 -0.64 -0.06 0.00 0.06 0.00 0.00 58.65 58.00 1hds h GLN 54 Cb 0.08 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1hds h GLN 54 CO 0.00 1.25 -0.21 1.96 -0.67 0.00 0.00 178.83 181.16 1hds h GLN 55 N 0.13 0.25 0.00 1.46 4.20 -1.80 0.92 115.11 120.26 1hds h GLN 55 Ca -0.12 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1hds h GLN 55 Cb 1.60 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.41 1hds h GLN 55 CO 0.18 0.82 0.00 1.17 -0.67 0.00 0.00 178.83 180.33 1hds n LYS 56 N -4.54 0.00 -0.04 1.46 3.00 -0.98 -1.72 118.16 115.35 1hds n LYS 56 Ca -0.08 0.06 -0.01 0.00 -0.00 0.00 0.00 58.31 58.28 1hds n LYS 56 Cb 0.44 -0.91 -0.00 0.00 0.00 0.00 0.00 35.03 34.55 1hds n LYS 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hds n ALA 57 N -0.67 -0.04 -0.05 3.14 0.00 -0.69 -1.26 120.51 120.94 1hds n ALA 57 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 1hds n ALA 57 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 1hds n ALA 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hds h HIS 58 N 0.00 1.00 -0.34 0.00 -0.00 0.11 -2.49 115.15 113.42 1hds h HIS 58 Ca 0.02 -0.37 0.01 0.00 -0.00 0.00 0.00 60.37 60.03 1hds h HIS 58 Cb 0.04 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 1hds h HIS 58 CO -0.09 1.18 0.23 0.78 -0.00 0.00 0.00 177.93 180.03 1hds h GLY 59 N 0.77 0.46 -0.53 5.26 0.00 -0.29 -3.09 103.07 105.65 1hds h GLY 59 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.24 1hds h GLY 59 CO 0.12 0.16 -0.50 -1.61 0.00 0.00 0.00 176.54 174.71 1hds h GLN 60 N 0.43 -0.25 0.00 4.80 4.15 -1.47 0.14 115.11 122.90 1hds h GLN 60 Ca 0.13 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1hds h GLN 60 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1hds h GLN 60 CO -0.03 -0.17 0.00 1.63 -1.93 0.00 0.00 178.83 178.33 1hds n LYS 61 N -5.38 0.00 -0.07 1.69 4.76 -1.23 0.23 118.16 118.16 1hds n LYS 61 Ca -0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1hds n LYS 61 Cb 0.34 -0.66 -0.03 0.00 -1.84 0.00 0.00 35.03 32.83 1hds n LYS 61 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1hds h VAL 62 N 0.00 0.00 0.00 -0.18 2.07 -1.37 -2.34 116.25 114.44 1hds h VAL 62 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1hds h VAL 62 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1hds h VAL 62 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1hds n ALA 63 N -2.91 0.00 0.00 1.67 0.00 0.45 -3.26 120.51 116.46 1hds n ALA 63 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1hds n ALA 63 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1hds n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hds n ASN 64 N 0.00 0.00 -0.06 0.00 3.02 0.63 -0.32 115.26 118.53 1hds n ASN 64 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 1hds n ASN 64 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1hds n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hds h ALA 65 N 0.00 0.15 0.12 5.41 0.00 -1.40 -0.87 119.26 122.66 1hds h ALA 65 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 1hds h ALA 65 Cb 0.00 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1hds h ALA 65 CO 0.00 -0.48 -1.21 1.37 0.00 0.00 0.00 179.25 178.93 1hds h LEU 66 N -0.02 0.48 0.72 0.00 -0.00 -0.67 -2.72 115.31 113.11 1hds h LEU 66 Ca 0.12 -0.49 -0.03 0.00 -0.00 0.00 0.00 57.88 57.48 1hds h LEU 66 Cb 0.20 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1hds h LEU 66 CO -0.26 1.36 -0.38 0.74 -0.00 0.00 0.00 178.44 179.90 1hds h THR 67 N 0.11 0.23 0.00 0.15 2.02 -1.41 -3.14 112.91 110.87 1hds h THR 67 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1hds h THR 67 Cb 1.92 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1hds h THR 67 CO 0.20 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.38 1hds n LYS 68 N -5.53 0.00 -0.01 6.66 5.02 -0.37 -3.63 118.16 120.30 1hds n LYS 68 Ca -0.14 0.35 0.23 0.00 -2.02 0.00 0.00 58.31 56.74 1hds n LYS 68 Cb 0.42 -0.65 0.68 0.00 -0.02 0.00 0.00 35.03 35.45 1hds n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hds h ALA 69 N -1.10 2.38 0.00 7.82 0.00 -1.43 -3.22 119.26 123.71 1hds h ALA 69 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hds h ALA 69 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hds h ALA 69 CO 0.00 -0.97 -0.25 1.04 0.00 0.00 0.00 179.25 179.07 1hds n GLN 70 N -3.62 0.00 0.00 0.00 1.13 -1.20 -3.19 117.38 110.50 1hds n GLN 70 Ca 0.12 -0.59 0.00 0.00 -1.94 0.00 0.00 57.00 54.59 1hds n GLN 70 Cb 0.88 -0.34 0.00 0.00 0.11 0.00 0.00 30.24 30.89 1hds n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1hds n GLY 71 N 0.00 1.35 2.73 1.08 0.00 -1.25 -4.40 105.19 104.69 1hds n GLY 71 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1hds n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hds n HIS 72 N 0.00 -2.68 -1.33 1.61 1.44 -1.19 -4.99 115.22 108.08 1hds n HIS 72 Ca 0.00 -1.40 -0.41 0.00 -2.01 0.00 0.00 57.72 53.90 1hds n HIS 72 Cb 0.00 1.43 -0.03 0.00 0.12 0.00 0.00 29.99 31.50 1hds n HIS 72 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1hds n LEU 73 N 1.89 5.31 0.00 2.39 4.77 -1.22 -2.16 117.00 127.98 1hds n LEU 73 Ca 0.09 -3.38 0.00 0.00 -0.03 0.00 0.00 56.01 52.69 1hds n LEU 73 Cb 0.64 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1hds n LEU 73 CO -0.02 0.32 0.00 0.59 -1.33 0.00 0.00 177.39 176.95 1hds n ASN 74 N 6.60 0.00 0.00 -1.43 5.03 -1.26 -5.02 115.26 119.18 1hds n ASN 74 Ca 0.51 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.96 1hds n ASN 74 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 1hds n ASN 74 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1hds n ASP 75 N 0.00 0.00 0.12 6.41 4.64 -0.92 -5.05 116.55 121.74 1hds n ASP 75 Ca 0.00 0.00 -0.03 0.00 -1.38 0.00 0.00 54.79 53.38 1hds n ASP 75 Cb 0.00 0.00 0.13 0.00 -1.04 0.00 0.00 41.12 40.21 1hds n ASP 75 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1hds h LEU 76 N 0.00 0.08 -1.73 -2.67 3.38 -1.88 -2.05 115.31 110.44 1hds h LEU 76 Ca 0.00 -0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.11 1hds h LEU 76 Cb 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1hds h LEU 76 CO 0.00 0.72 0.53 -0.65 0.09 0.00 0.00 178.44 179.13 1hds h PRO 77 N 0.05 0.24 0.02 1.13 0.11 -1.95 3.37 132.00 134.96 1hds h PRO 77 Ca -0.01 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 1hds h PRO 77 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1hds h PRO 77 CO 0.09 0.16 -0.71 0.78 -0.21 0.00 0.00 178.00 178.11 1hds h GLY 78 N 0.24 0.05 0.62 -0.55 0.00 -1.99 -2.75 103.07 98.70 1hds h GLY 78 Ca 0.38 -0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.68 1hds h GLY 78 CO -0.09 0.11 0.61 -0.84 0.00 0.00 0.00 176.54 176.33 1hds h THR 79 N -0.89 1.00 -0.58 4.70 2.02 -0.37 -3.38 112.91 115.42 1hds h THR 79 Ca -0.18 -0.36 -0.30 0.00 0.77 0.00 0.00 66.41 66.33 1hds h THR 79 Cb 1.24 -0.14 -0.18 0.00 -1.74 0.00 0.00 68.15 67.34 1hds h THR 79 CO -0.07 0.19 0.39 -0.11 0.37 0.00 0.00 175.52 176.29 1hds n LEU 80 N -4.58 5.24 0.07 2.58 7.94 1.10 -4.43 117.00 124.93 1hds n LEU 80 Ca 0.16 -2.76 -0.22 0.00 -1.11 0.00 0.00 56.01 52.09 1hds n LEU 80 Cb 0.25 -0.71 -0.15 0.00 0.53 0.00 0.00 43.42 43.34 1hds n LEU 80 CO 0.30 0.84 -0.18 0.28 -1.11 0.00 0.00 177.39 177.52 1hds h SER 81 N 0.63 0.56 -0.56 1.96 0.02 -1.68 -3.03 113.55 111.46 1hds h SER 81 Ca 0.37 -0.92 0.11 0.00 -0.84 0.00 0.00 61.79 60.50 1hds h SER 81 Cb 2.02 -0.18 -0.09 0.00 0.14 0.00 0.00 62.40 64.29 1hds h SER 81 CO 0.65 1.56 0.06 0.78 -1.14 0.00 0.00 176.83 178.75 1hds h ASN 82 N -0.18 -0.11 0.00 3.07 -0.26 -1.86 -3.26 115.58 112.97 1hds h ASN 82 Ca -0.23 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 1hds h ASN 82 Cb 1.85 0.19 0.00 0.00 -1.06 0.00 0.00 38.32 39.30 1hds h ASN 82 CO 0.17 -0.04 0.00 -0.11 -1.06 0.00 0.00 177.43 176.39 1hds n LEU 83 N -5.18 0.00 0.00 1.61 7.94 -1.14 -4.44 117.00 115.78 1hds n LEU 83 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1hds n LEU 83 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1hds n LEU 83 CO 0.16 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.24 1hds n SER 84 N 0.00 0.00 -4.83 1.96 7.64 -1.25 -3.83 113.62 113.30 1hds n SER 84 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1hds n SER 84 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1hds n SER 84 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1hds s ASN 85 N 0.00 6.76 0.00 6.43 3.84 -1.23 0.25 114.94 130.99 1hds s ASN 85 Ca 0.00 0.90 0.00 0.00 0.21 0.00 0.00 52.86 53.97 1hds s ASN 85 Cb 0.00 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.47 1hds s ASN 85 CO 0.00 0.32 0.00 0.00 -2.79 0.00 0.00 177.10 174.63 1hds n LEU 86 N 1.94 0.00 -0.08 3.21 -0.00 -1.25 -2.11 117.00 118.71 1hds n LEU 86 Ca -0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.68 1hds n LEU 86 Cb 0.53 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.82 1hds n LEU 86 CO 0.37 0.00 -0.12 0.45 -0.00 0.00 0.00 177.39 178.09 1hds h HIS 87 N 0.00 0.02 0.00 1.47 -0.00 -1.70 5.00 115.15 119.93 1hds h HIS 87 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1hds h HIS 87 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1hds h HIS 87 CO 0.00 1.28 0.00 0.00 -0.00 0.00 0.00 177.93 179.21 1hds n ALA 88 N -3.05 0.00 0.44 2.45 0.00 0.14 -1.51 120.51 118.98 1hds n ALA 88 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.35 1hds n ALA 88 Cb 0.60 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.48 1hds n ALA 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hds h HIS 89 N 0.00 0.00 0.00 0.00 -0.00 -1.63 -3.14 115.15 110.38 1hds h HIS 89 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 1hds h HIS 89 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 1hds h HIS 89 CO 0.00 0.00 -2.09 1.63 -0.00 0.00 0.00 177.93 177.47 1hds n LYS 90 N -2.51 0.44 -0.03 5.26 5.02 -1.08 -4.55 118.16 120.70 1hds n LYS 90 Ca 0.04 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 1hds n LYS 90 Cb 0.37 -1.26 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 1hds n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1hds h LEU 91 N -0.47 0.05 -1.39 -0.35 3.38 1.01 -3.48 115.31 114.06 1hds h LEU 91 Ca -0.48 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 56.76 1hds h LEU 91 Cb 1.51 -0.01 0.05 0.00 0.09 0.00 0.00 40.66 42.29 1hds h LEU 91 CO -0.23 0.66 -0.21 0.54 0.09 0.00 0.00 178.44 179.30 1hds n ARG 92 N -4.75 -2.18 -1.64 1.13 3.00 -0.57 -4.97 116.66 106.69 1hds n ARG 92 Ca -0.09 0.25 -0.36 0.00 -0.01 0.00 0.00 57.85 57.64 1hds n ARG 92 Cb 0.33 -3.50 -0.03 0.00 0.00 0.00 0.00 32.46 29.26 1hds n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1hds s VAL 93 N -3.10 3.06 0.32 1.55 1.01 -1.20 -4.92 120.40 117.13 1hds s VAL 93 Ca 0.09 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 1hds s VAL 93 Cb -0.04 -3.17 -0.14 0.00 0.00 0.00 0.00 36.38 33.03 1hds s VAL 93 CO 0.22 -0.16 0.91 -0.46 0.00 0.00 0.00 175.10 175.61 1hds n ASN 94 N 15.47 0.83 0.21 3.32 2.04 -1.26 -4.82 115.26 131.05 1hds n ASN 94 Ca 0.34 1.12 0.15 0.00 -0.44 0.00 0.00 54.58 55.75 1hds n ASN 94 Cb 0.54 -1.25 0.56 0.00 -2.53 0.00 0.00 39.78 37.10 1hds n ASN 94 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 1hds h PRO 95 N 1.70 0.00 -0.64 -0.53 0.13 -1.99 -3.34 132.00 127.33 1hds h PRO 95 Ca -0.39 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.96 1hds h PRO 95 Cb 1.35 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.37 1hds h PRO 95 CO 0.59 0.00 0.17 0.28 -0.23 0.00 0.00 178.00 178.81 1hds n VAL 96 N -2.71 -0.27 0.23 1.56 0.31 -1.26 -0.03 118.33 116.17 1hds n VAL 96 Ca 0.02 1.36 0.06 0.00 -0.01 0.00 0.00 64.34 65.77 1hds n VAL 96 Cb 0.30 -2.09 0.54 0.00 -0.91 0.00 0.00 33.84 31.68 1hds n VAL 96 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1hds h ASN 97 N 0.00 0.00 -0.75 4.52 -0.26 -1.97 -3.21 115.58 113.91 1hds h ASN 97 Ca 0.46 0.00 0.11 0.00 -0.56 0.00 0.00 56.30 56.32 1hds h ASN 97 Cb 1.11 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.24 1hds h ASN 97 CO -0.55 0.14 -0.41 -0.26 -1.06 0.00 0.00 177.43 175.28 1hds h PHE 98 N 0.00 -1.20 0.00 1.19 0.04 -0.67 0.28 116.94 116.58 1hds h PHE 98 Ca -0.00 0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1hds h PHE 98 Cb 0.24 0.63 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1hds h PHE 98 CO 0.00 -0.40 0.00 1.57 -0.60 0.00 0.00 178.31 178.88 1hds h LYS 99 N -0.12 0.00 0.00 1.51 2.10 -1.73 -2.92 116.57 115.41 1hds h LYS 99 Ca 0.24 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.83 1hds h LYS 99 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1hds h LYS 99 CO -0.81 0.00 -0.56 -0.07 -2.00 0.00 0.00 179.45 176.01 1hds h LEU 100 N 0.00 0.00 -0.79 7.07 -0.00 -1.37 -1.02 115.31 119.20 1hds h LEU 100 Ca 0.00 -0.25 0.16 0.00 -0.00 0.00 0.00 57.88 57.79 1hds h LEU 100 Cb 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.88 1hds h LEU 100 CO 0.00 0.94 0.31 0.25 -0.00 0.00 0.00 178.44 179.93 1hds h LEU 101 N -1.00 0.26 0.00 1.67 6.46 -0.31 -1.67 115.31 120.72 1hds h LEU 101 Ca -0.10 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1hds h LEU 101 Cb 0.68 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1hds h LEU 101 CO -0.06 0.07 0.00 -1.20 -0.62 0.00 0.00 178.44 176.63 1hds n SER 102 N -5.03 0.00 -0.20 1.25 7.64 -1.18 0.14 113.62 116.24 1hds n SER 102 Ca 0.16 0.00 0.24 0.00 1.01 0.00 0.00 58.87 60.27 1hds n SER 102 Cb 0.47 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 64.29 1hds n SER 102 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1hds h HIS 103 N 0.00 0.26 0.41 1.43 -0.00 -0.46 0.48 115.15 117.28 1hds h HIS 103 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1hds h HIS 103 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1hds h HIS 103 CO 0.00 0.06 -0.30 0.77 -0.00 0.00 0.00 177.93 178.46 1hds h SER 104 N 0.19 -0.78 0.33 3.26 0.02 0.45 -2.76 113.55 114.27 1hds h SER 104 Ca 0.44 0.06 -0.33 0.00 -0.84 0.00 0.00 61.79 61.12 1hds h SER 104 Cb 1.41 0.25 0.01 0.00 0.14 0.00 0.00 62.40 64.20 1hds h SER 104 CO -0.09 -0.46 -1.59 0.25 -1.14 0.00 0.00 176.83 173.80 1hds h LEU 105 N -0.71 0.56 -0.96 5.07 5.85 0.17 0.19 115.31 125.49 1hds h LEU 105 Ca -0.04 -0.75 -0.02 0.00 0.84 0.00 0.00 57.88 57.91 1hds h LEU 105 Cb 0.60 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1hds h LEU 105 CO 0.01 1.62 -0.11 0.25 -0.34 0.00 0.00 178.44 179.87 1hds h LEU 106 N 0.10 0.00 0.00 2.25 5.85 0.26 0.64 115.31 124.40 1hds h LEU 106 Ca -0.28 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 1hds h LEU 106 Cb 2.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.10 1hds h LEU 106 CO 0.19 0.11 -0.68 1.62 -0.34 0.00 0.00 178.44 179.34 1hds h VAL 107 N 0.00 0.23 0.03 1.05 3.04 -1.58 -3.30 116.25 115.72 1hds h VAL 107 Ca -0.00 -1.30 -0.00 0.00 -1.01 0.00 0.00 66.70 64.39 1hds h VAL 107 Cb 0.75 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1hds h VAL 107 CO 0.01 0.08 -0.02 0.74 -1.01 0.00 0.00 177.57 177.38 1hds h THR 108 N -1.00 0.00 0.00 3.17 2.02 -0.09 -2.88 112.91 114.12 1hds h THR 108 Ca -0.09 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1hds h THR 108 Cb 0.70 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1hds h THR 108 CO -0.05 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.02 1hds n LEU 109 N -2.53 0.00 0.00 2.58 7.99 0.17 -3.06 117.00 122.15 1hds n LEU 109 Ca -0.01 0.64 0.00 0.00 -0.01 0.00 0.00 56.01 56.63 1hds n LEU 109 Cb 0.02 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 1hds n LEU 109 CO 0.01 -0.21 0.00 0.00 -1.51 0.00 0.00 177.39 175.68 1hds n ALA 110 N -1.88 0.00 -0.26 -1.18 0.00 -1.25 0.24 120.51 116.18 1hds n ALA 110 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1hds n ALA 110 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 1hds n ALA 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hds h SER 111 N 0.00 0.55 0.02 0.00 0.87 -1.43 -3.23 113.55 110.33 1hds h SER 111 Ca 0.00 0.04 -0.37 0.00 -1.23 0.00 0.00 61.79 60.23 1hds h SER 111 Cb 0.00 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 1hds h SER 111 CO 0.00 0.25 -2.08 1.41 -0.53 0.00 0.00 176.83 175.88 1hds n HIS 112 N -4.55 0.48 -3.74 2.24 8.25 0.65 -4.06 115.22 114.49 1hds n HIS 112 Ca 0.18 0.17 -0.28 0.00 -0.26 0.00 0.00 57.72 57.53 1hds n HIS 112 Cb 0.57 -1.05 -0.11 0.00 1.12 0.00 0.00 29.99 30.51 1hds n HIS 112 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1hds s LEU 113 N -7.37 3.74 -0.14 2.41 2.34 0.18 -4.95 118.68 114.88 1hds s LEU 113 Ca -0.33 -3.57 0.14 0.00 0.06 0.00 0.00 54.13 50.43 1hds s LEU 113 Cb 0.10 -1.26 0.66 0.00 -0.56 0.00 0.00 46.19 45.13 1hds s LEU 113 CO 0.58 -0.12 1.54 -0.81 -1.06 0.00 0.00 176.35 176.48 1hds n PRO 114 N 2.29 3.75 0.00 1.48 -0.05 -1.22 0.22 135.00 141.47 1hds n PRO 114 Ca 0.22 -2.57 0.09 0.00 -0.05 0.00 0.00 63.50 61.19 1hds n PRO 114 Cb 0.39 -1.95 -0.07 0.00 -0.05 0.00 0.00 33.50 31.82 1hds n PRO 114 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 1hds n THR 115 N 0.80 0.00 -0.04 0.52 -1.04 -1.26 -4.48 114.28 108.78 1hds n THR 115 Ca 0.23 -0.14 -0.05 0.00 -2.04 0.00 0.00 64.05 62.05 1hds n THR 115 Cb 0.90 1.06 -0.02 0.00 -1.82 0.00 0.00 70.33 70.45 1hds n THR 115 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1hds n ASN 116 N -1.04 1.35 -3.14 8.00 5.15 -1.08 -4.90 115.26 119.59 1hds n ASN 116 Ca 0.05 0.22 -0.35 0.00 -0.60 0.00 0.00 54.58 53.89 1hds n ASN 116 Cb 0.31 -0.56 -0.04 0.00 -0.53 0.00 0.00 39.78 38.96 1hds n ASN 116 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1hds n PHE 117 N -3.83 2.11 -0.22 1.20 -0.00 0.60 -4.83 117.46 112.48 1hds n PHE 117 Ca -0.08 -2.79 -0.07 0.00 -0.00 0.00 0.00 57.45 54.51 1hds n PHE 117 Cb 0.28 -2.21 -0.00 0.00 -0.00 0.00 0.00 39.48 37.55 1hds n PHE 117 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1hds n THR 118 N 2.98 0.27 -0.08 -2.13 -2.24 -1.26 -4.54 114.28 107.27 1hds n THR 118 Ca 0.70 -0.08 0.05 0.00 -2.27 0.00 0.00 64.05 62.45 1hds n THR 118 Cb 0.34 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.95 1hds n THR 118 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1hds h PRO 119 N 0.13 0.65 0.00 -0.78 0.11 -1.99 0.92 132.00 131.03 1hds h PRO 119 Ca -0.05 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.94 1hds h PRO 119 Cb 0.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1hds h PRO 119 CO 0.09 0.43 -0.51 0.00 -0.21 0.00 0.00 178.00 177.80 1hds h ALA 120 N 1.67 0.74 0.00 -0.75 0.00 -1.98 -3.13 119.26 115.81 1hds h ALA 120 Ca 0.22 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1hds h ALA 120 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1hds h ALA 120 CO -0.05 0.47 -1.12 0.28 0.00 0.00 0.00 179.25 178.82 1hds n VAL 121 N -3.13 1.50 -0.15 0.00 0.31 -0.18 -3.60 118.33 113.08 1hds n VAL 121 Ca 0.01 0.03 0.19 0.00 -0.01 0.00 0.00 64.34 64.56 1hds n VAL 121 Cb 0.69 -2.14 0.58 0.00 -0.91 0.00 0.00 33.84 32.05 1hds n VAL 121 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1hds h HIS 122 N -1.00 0.32 0.00 3.52 2.07 0.74 -2.83 115.15 117.97 1hds h HIS 122 Ca -0.26 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 1hds h HIS 122 Cb 1.08 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.96 1hds h HIS 122 CO -0.02 0.11 0.00 0.00 -3.07 0.00 0.00 177.93 174.95 1hds n ALA 123 N -2.57 -0.17 -0.86 6.11 0.00 -1.18 -1.57 120.51 120.26 1hds n ALA 123 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1hds n ALA 123 Cb 0.64 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1hds n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hds n ASN 124 N -2.44 0.00 -0.13 0.00 5.03 -1.21 -1.75 115.26 114.76 1hds n ASN 124 Ca 0.00 0.57 -0.02 0.00 0.87 0.00 0.00 54.58 56.00 1hds n ASN 124 Cb 0.00 -0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 38.68 1hds n ASN 124 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1hds n LEU 125 N -1.07 -0.26 -0.03 3.41 4.77 -1.07 -1.49 117.00 121.27 1hds n LEU 125 Ca 0.00 0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1hds n LEU 125 Cb 0.00 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1hds n LEU 125 CO 0.00 -0.47 0.63 -1.13 -1.33 0.00 0.00 177.39 175.09 1hds h ASN 126 N 0.00 -1.09 -0.94 -1.43 -0.73 -0.44 -2.95 115.58 107.99 1hds h ASN 126 Ca 0.08 0.16 0.22 0.00 1.87 0.00 0.00 56.30 58.63 1hds h ASN 126 Cb 0.16 0.47 -0.18 0.00 0.27 0.00 0.00 38.32 39.05 1hds h ASN 126 CO -0.30 -0.36 -0.12 0.11 -0.37 0.00 0.00 177.43 176.39 1hds h LYS 127 N -0.38 0.01 0.00 6.67 1.79 -0.86 0.10 116.57 123.91 1hds h LYS 127 Ca 0.11 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1hds h LYS 127 Cb 0.56 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1hds h LYS 127 CO -0.41 0.01 0.00 0.34 -1.08 0.00 0.00 179.45 178.31 1hds n PHE 128 N -5.54 0.00 -0.04 -1.35 -0.00 -1.11 -0.89 117.46 108.54 1hds n PHE 128 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.61 1hds n PHE 128 Cb 0.58 -0.33 -0.00 0.00 -0.00 0.00 0.00 39.48 39.72 1hds n PHE 128 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1hds h LEU 129 N 0.00 0.00 -1.17 -2.13 3.38 -1.61 0.00 115.31 113.78 1hds h LEU 129 Ca 0.00 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.31 1hds h LEU 129 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1hds h LEU 129 CO 0.00 0.38 1.07 0.00 0.09 0.00 0.00 178.44 179.99 1hds n ALA 130 N -2.78 1.13 -0.07 1.53 0.00 0.35 -2.68 120.51 117.99 1hds n ALA 130 Ca -0.02 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.64 1hds n ALA 130 Cb 0.08 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 1hds n ALA 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hds n ASN 131 N -3.17 1.55 -0.10 0.00 5.03 -0.07 -0.32 115.26 118.19 1hds n ASN 131 Ca 0.26 0.07 -0.03 0.00 0.87 0.00 0.00 54.58 55.76 1hds n ASN 131 Cb 1.43 -0.28 0.21 0.00 -1.02 0.00 0.00 39.78 40.11 1hds n ASN 131 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 1hds h ASP 132 N 0.02 0.71 0.00 6.41 1.82 -0.84 -3.15 116.42 121.40 1hds h ASP 132 Ca -0.48 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 1hds h ASP 132 Cb 2.02 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.84 1hds h ASP 132 CO 0.01 0.73 0.00 -1.20 -1.61 0.00 0.00 179.24 177.17 1hds n SER 133 N -4.26 0.00 -0.11 2.28 7.64 -1.24 -1.38 113.62 116.55 1hds n SER 133 Ca 0.03 0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.86 1hds n SER 133 Cb 0.24 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.37 1hds n SER 133 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1hds h THR 134 N 0.00 0.06 0.13 0.44 2.02 -0.62 0.09 112.91 115.03 1hds h THR 134 Ca 0.00 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.89 1hds h THR 134 Cb 0.00 0.06 0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1hds h THR 134 CO 0.00 0.00 -1.24 -0.37 0.37 0.00 0.00 175.52 174.28 1hds h VAL 135 N -0.39 1.38 0.00 3.16 -1.51 -1.66 -2.37 116.25 114.86 1hds h VAL 135 Ca 0.10 -2.72 -0.01 0.00 -1.23 0.00 0.00 66.70 62.84 1hds h VAL 135 Cb 0.61 2.81 -0.00 0.00 -2.13 0.00 0.00 31.29 32.57 1hds h VAL 135 CO -0.56 0.81 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.47 1hds h LEU 136 N 0.17 0.00 0.00 4.19 -0.00 0.28 0.69 115.31 120.64 1hds h LEU 136 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1hds h LEU 136 Cb 1.93 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 1hds h LEU 136 CO 0.22 0.05 -0.02 0.41 -0.00 0.00 0.00 178.44 179.10 1hds n THR 137 N -3.34 0.03 0.00 0.22 -1.04 -0.93 -3.96 114.28 105.26 1hds n THR 137 Ca -0.02 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1hds n THR 137 Cb 0.20 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 1hds n THR 137 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1hds n SER 138 N -2.54 0.00 -0.27 8.00 7.64 0.23 -3.58 113.62 123.11 1hds n SER 138 Ca -0.00 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.11 1hds n SER 138 Cb 0.01 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 63.61 1hds n SER 138 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1hds n LYS 139 N 0.00 -0.02 -3.98 1.43 0.00 -1.26 -3.14 118.16 111.18 1hds n LYS 139 Ca 0.00 0.77 -0.14 0.00 0.00 0.00 0.00 58.31 58.94 1hds n LYS 139 Cb 0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 35.03 33.40 1hds n LYS 139 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1hds s TYR 140 N -4.65 0.21 0.00 5.64 -0.85 -1.23 -5.05 117.35 111.42 1hds s TYR 140 Ca -0.05 -0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 1hds s TYR 140 Cb 0.19 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.36 1hds s TYR 140 CO 0.49 -0.02 0.00 0.54 -1.52 0.00 0.00 175.55 175.04