#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hds n LEU 2 N 0.00 -0.84 -4.64 7.52 7.99 -1.26 -5.08 117.00 120.69 1hds n LEU 2 Ca 0.00 -0.48 -0.29 0.00 -0.01 0.00 0.00 56.01 55.23 1hds n LEU 2 Cb 0.00 -0.27 -0.09 0.00 -0.11 0.00 0.00 43.42 42.95 1hds n LEU 2 CO 0.00 -0.73 -0.36 -0.55 -1.51 0.00 0.00 177.39 174.23 1hds s SER 3 N 0.00 4.72 0.51 -1.43 0.15 -1.26 -5.01 113.70 111.38 1hds s SER 3 Ca 0.31 -0.32 0.27 0.00 0.70 0.00 0.00 55.95 56.91 1hds s SER 3 Cb -0.20 -1.01 1.46 0.00 -1.71 0.00 0.00 66.02 64.55 1hds s SER 3 CO 0.14 0.15 1.79 0.00 1.20 0.00 0.00 173.24 176.52 1hds h ALA 4 N 3.26 1.17 0.02 5.45 0.00 -2.00 -1.23 119.26 125.93 1hds h ALA 4 Ca -0.48 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.12 1hds h ALA 4 Cb 1.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1hds h ALA 4 CO 0.57 -0.17 -1.84 0.00 0.00 0.00 0.00 179.25 177.81 1hds n ALA 5 N -1.82 1.39 0.00 0.00 0.00 -1.26 -3.61 120.51 115.21 1hds n ALA 5 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1hds n ALA 5 Cb 0.24 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -3.10 0.00 -0.20 0.00 3.02 -0.71 0.63 115.26 114.89 1hds n ASN 6 Ca -0.21 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.24 1hds n ASN 6 Cb 1.06 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.19 1hds n ASN 6 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1hds h LYS 7 N 0.00 -0.23 -1.52 3.52 1.79 -1.42 0.30 116.57 119.01 1hds h LYS 7 Ca 0.00 0.02 -0.34 0.00 -2.18 0.00 0.00 60.65 58.15 1hds h LYS 7 Cb 0.00 0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 30.56 1hds h LYS 7 CO 0.00 -0.16 0.43 0.43 -1.08 0.00 0.00 179.45 179.07 1hds n SER 8 N -5.40 6.51 -0.07 0.86 7.64 0.14 -1.85 113.62 121.45 1hds n SER 8 Ca 0.01 -3.09 -0.13 0.00 1.01 0.00 0.00 58.87 56.67 1hds n SER 8 Cb 0.35 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.42 1hds n SER 8 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1hds h ASN 9 N 1.53 0.47 -0.25 6.43 2.35 0.50 -1.14 115.58 125.47 1hds h ASN 9 Ca 0.30 -0.46 0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1hds h ASN 9 Cb 0.90 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 1hds h ASN 9 CO 0.79 0.84 -0.27 0.58 -1.65 0.00 0.00 177.43 177.71 1hds h VAL 10 N 0.11 0.00 0.19 2.81 2.07 -0.04 -1.07 116.25 120.31 1hds h VAL 10 Ca 0.03 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.24 1hds h VAL 10 Cb 0.69 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1hds h VAL 10 CO 0.04 0.00 -1.36 0.07 0.02 0.00 0.00 177.57 176.34 1hds h LYS 11 N -0.15 0.59 -1.00 1.57 2.10 -1.29 -2.23 116.57 116.16 1hds h LYS 11 Ca 0.04 -0.88 0.33 0.00 -2.00 0.00 0.00 60.65 58.14 1hds h LYS 11 Cb 0.26 0.31 -0.15 0.00 -0.90 0.00 0.00 32.23 31.75 1hds h LYS 11 CO -0.31 1.41 0.55 0.00 -2.00 0.00 0.00 179.45 179.10 1hds h ALA 12 N 0.22 1.96 -3.00 0.07 0.00 -0.56 -3.00 119.26 114.94 1hds h ALA 12 Ca -0.22 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hds h ALA 12 Cb 2.04 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1hds h ALA 12 CO 0.26 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.88 1hds n ALA 13 N -2.31 0.00 0.00 0.00 0.00 -0.47 -3.71 120.51 114.02 1hds n ALA 13 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1hds n ALA 13 Cb 1.02 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.50 1hds n ALA 13 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1hds n TRP 14 N -0.18 0.00 0.00 0.00 8.01 -0.86 -3.13 117.44 121.28 1hds n TRP 14 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1hds n TRP 14 Cb 0.00 -0.13 0.00 0.00 -2.01 0.00 0.00 31.31 29.17 1hds n TRP 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1hds n GLY 15 N -0.73 0.00 0.00 6.99 0.00 -1.13 -3.26 105.19 107.06 1hds n GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hds n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hds n LYS 16 N -0.05 0.02 0.00 1.61 5.02 -1.18 -4.65 118.16 118.93 1hds n LYS 16 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1hds n LYS 16 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 1hds n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hds n VAL 17 N -0.45 0.00 0.00 -0.18 0.31 -1.20 -5.00 118.33 111.81 1hds n VAL 17 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1hds n VAL 17 Cb 0.00 -1.06 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 0.13 0.83 1.21 2.92 0.00 -1.24 -4.24 105.19 104.79 1hds n GLY 18 Ca 0.00 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 2.50 0.11 -0.02 0.00 -1.26 -3.27 105.19 103.25 1hds n GLY 19 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 1.42 1.14 -0.06 1.61 4.13 -1.26 -4.17 115.26 118.07 1hds n ASN 20 Ca 0.22 0.21 -0.08 0.00 1.68 0.00 0.00 54.58 56.60 1hds n ASN 20 Cb 0.58 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.73 1hds n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hds h ALA 21 N 0.65 0.28 -1.24 5.41 0.00 -1.83 -2.94 119.26 119.59 1hds h ALA 21 Ca -0.41 0.03 0.37 0.00 0.00 0.00 0.00 54.91 54.89 1hds h ALA 21 Cb 2.06 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.76 1hds h ALA 21 CO 0.05 -0.32 0.83 -1.35 0.00 0.00 0.00 179.25 178.46 1hds h PRO 22 N 0.21 0.17 0.00 0.00 0.11 -1.84 -1.03 132.00 129.62 1hds h PRO 22 Ca 0.11 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.06 1hds h PRO 22 Cb 0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1hds h PRO 22 CO -0.11 0.11 -0.99 0.00 -0.21 0.00 0.00 178.00 176.80 1hds h ALA 23 N 1.52 0.17 -0.63 -0.75 0.00 -1.82 -3.06 119.26 114.69 1hds h ALA 23 Ca 0.69 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1hds h ALA 23 Cb 2.22 0.66 0.00 0.00 0.00 0.00 0.00 17.79 20.66 1hds h ALA 23 CO -0.26 0.63 0.00 0.66 0.00 0.00 0.00 179.25 180.28 1hds n TYR 24 N -4.50 0.00 0.00 0.00 4.01 -0.43 -3.18 117.16 113.06 1hds n TYR 24 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1hds n TYR 24 Cb 0.53 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1hds n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hds n GLY 25 N 1.82 -0.29 0.00 2.72 0.00 -0.95 0.11 105.19 108.60 1hds n GLY 25 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1hds n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hds n ALA 26 N -0.92 1.16 -0.00 4.61 0.00 -1.16 -0.05 120.51 124.15 1hds n ALA 26 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1hds n ALA 26 Cb 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 1hds n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hds n GLN 27 N -1.31 0.72 -0.20 0.00 -0.00 0.12 -2.51 117.38 114.20 1hds n GLN 27 Ca 0.00 0.27 0.06 0.00 -0.00 0.00 0.00 57.00 57.33 1hds n GLN 27 Cb 0.01 -1.73 0.13 0.00 -0.00 0.00 0.00 30.24 28.64 1hds n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1hds n ALA 28 N -2.86 0.23 -1.00 2.61 0.00 0.93 -2.41 120.51 118.01 1hds n ALA 28 Ca -0.27 0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1hds n ALA 28 Cb 1.05 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1hds n ALA 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1hds n LEU 29 N -4.78 0.00 0.00 0.00 -0.00 -1.21 -2.40 117.00 108.61 1hds n LEU 29 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1hds n LEU 29 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1hds n LEU 29 CO -0.05 0.00 0.00 1.67 -0.00 0.00 0.00 177.39 179.01 1hds n GLN 30 N -0.56 0.00 0.00 1.47 -0.06 -1.01 -3.98 117.38 113.24 1hds n GLN 30 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1hds n GLN 30 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1hds n GLN 30 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1hds n ARG 31 N -3.33 0.00 0.01 3.69 5.12 -1.24 -4.43 116.66 116.47 1hds n ARG 31 Ca 0.00 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.05 1hds n ARG 31 Cb 0.00 0.00 0.35 0.00 -1.16 0.00 0.00 32.46 31.65 1hds n ARG 31 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hds n MET 32 N 0.00 0.03 -0.35 5.56 3.85 -1.01 -0.67 117.12 124.54 1hds n MET 32 Ca 0.00 0.01 0.16 0.00 -1.00 0.00 0.00 57.70 56.87 1hds n MET 32 Cb 0.00 -1.52 0.36 0.00 -1.05 0.00 0.00 33.22 31.01 1hds n MET 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1hds h PHE 33 N 0.00 1.02 0.00 3.17 -0.00 -1.84 0.85 116.94 120.14 1hds h PHE 33 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 1hds h PHE 33 Cb 0.53 -0.30 0.00 0.00 -0.00 0.00 0.00 35.95 36.18 1hds h PHE 33 CO 0.00 0.15 -0.14 1.28 -0.00 0.00 0.00 178.31 179.60 1hds n LEU 34 N -4.81 0.00 0.00 2.10 4.77 -1.25 -3.82 117.00 113.99 1hds n LEU 34 Ca 0.25 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1hds n LEU 34 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1hds n LEU 34 CO 0.19 0.00 -0.10 -1.54 -1.33 0.00 0.00 177.39 174.61 1hds n SER 35 N -0.79 1.00 -2.30 -1.43 3.41 0.27 -4.77 113.62 109.01 1hds n SER 35 Ca 0.00 -0.30 -0.19 0.00 -0.26 0.00 0.00 58.87 58.12 1hds n SER 35 Cb 0.00 0.81 0.02 0.00 -0.26 0.00 0.00 64.21 64.78 1hds n SER 35 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1hds n PHE 36 N -0.91 2.48 -0.08 7.33 3.72 0.27 -4.99 117.46 125.29 1hds n PHE 36 Ca 0.00 -2.40 0.08 0.00 -0.05 0.00 0.00 57.45 55.07 1hds n PHE 36 Cb 0.00 -0.27 0.14 0.00 -0.94 0.00 0.00 39.48 38.41 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 -0.61 -0.02 0.05 -1.08 -0.02 -1.24 0.17 135.00 132.25 1hds n PRO 37 Ca 0.34 0.35 0.20 0.00 -2.02 0.00 0.00 63.50 62.36 1hds n PRO 37 Cb 0.87 -0.62 0.72 0.00 -0.02 0.00 0.00 33.50 34.45 1hds n PRO 37 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1hds h THR 38 N 0.00 0.63 -0.77 3.45 2.02 -1.89 -3.27 112.91 113.08 1hds h THR 38 Ca 0.21 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.45 1hds h THR 38 Cb 0.55 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1hds h THR 38 CO -0.19 0.00 0.47 0.00 0.37 0.00 0.00 175.52 176.16 1hds h THR 39 N 0.00 1.02 0.00 3.16 1.03 -0.60 -3.36 112.91 114.16 1hds h THR 39 Ca 0.22 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 1hds h THR 39 Cb 0.95 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.12 1hds h THR 39 CO -0.00 0.16 0.00 0.29 -0.01 0.00 0.00 175.52 175.95 1hds n LYS 40 N -4.68 0.00 -0.00 0.00 4.01 -1.23 -3.24 118.16 113.01 1hds n LYS 40 Ca 0.10 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.94 1hds n LYS 40 Cb 0.16 -0.97 -0.06 0.00 -0.51 0.00 0.00 35.03 33.66 1hds n LYS 40 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1hds n THR 41 N -0.21 0.00 -0.35 -0.18 -1.04 -1.26 -0.04 114.28 111.19 1hds n THR 41 Ca 0.00 -0.23 0.31 0.00 -2.04 0.00 0.00 64.05 62.09 1hds n THR 41 Cb 0.00 0.56 0.54 0.00 -1.82 0.00 0.00 70.33 69.61 1hds n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1hds n TYR 42 N -1.56 0.69 -3.09 -1.42 4.02 -1.20 -3.91 117.16 110.68 1hds n TYR 42 Ca -0.00 0.70 -0.25 0.00 -0.01 0.00 0.00 57.90 58.33 1hds n TYR 42 Cb 0.18 -1.11 -0.05 0.00 -0.02 0.00 0.00 39.34 38.33 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 -4.50 3.14 -0.22 -0.72 3.01 0.94 -4.89 117.46 114.22 1hds n PHE 43 Ca 0.33 -3.98 -0.00 0.00 1.01 0.00 0.00 57.45 54.80 1hds n PHE 43 Cb 1.23 -0.49 0.03 0.00 -0.01 0.00 0.00 39.48 40.24 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 0.15 -0.13 0.31 -1.08 -0.04 -1.25 -2.16 135.00 130.81 1hds n PRO 44 Ca 0.29 0.89 0.20 0.00 -0.04 0.00 0.00 63.50 64.84 1hds n PRO 44 Cb 0.44 -1.33 1.05 0.00 -0.04 0.00 0.00 33.50 33.62 1hds n PRO 44 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1hds h HIS 45 N 0.00 0.00 -1.21 0.54 2.07 -1.96 -3.44 115.15 111.16 1hds h HIS 45 Ca 0.21 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.63 1hds h HIS 45 Cb 0.35 0.00 -0.22 0.00 2.57 0.00 0.00 27.41 30.11 1hds h HIS 45 CO -0.51 0.00 -0.48 -0.06 -3.07 0.00 0.00 177.93 173.82 1hds s PHE 46 N -4.29 -1.49 -0.04 6.12 2.99 -0.92 -5.08 117.98 115.29 1hds s PHE 46 Ca -0.05 0.29 -0.00 0.00 0.00 0.00 0.00 56.93 57.17 1hds s PHE 46 Cb 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 43.02 43.30 1hds s PHE 46 CO 0.43 -1.11 0.26 -3.47 -0.00 0.00 0.00 175.22 171.33 1hds n ASP 47 N 4.71 -0.42 -2.05 1.36 2.03 -1.26 -4.92 116.55 116.01 1hds n ASP 47 Ca 0.09 -0.28 -0.23 0.00 0.52 0.00 0.00 54.79 54.89 1hds n ASP 47 Cb 0.54 -0.13 0.06 0.00 -0.72 0.00 0.00 41.12 40.87 1hds n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1hds n LEU 48 N 1.02 6.87 0.00 -2.67 4.77 -1.26 -4.43 117.00 121.30 1hds n LEU 48 Ca 0.02 -3.64 0.00 0.00 -0.03 0.00 0.00 56.01 52.37 1hds n LEU 48 Cb 0.10 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1hds n LEU 48 CO 0.13 1.30 0.00 -0.24 -1.33 0.00 0.00 177.39 177.25 1hds n SER 49 N -0.16 0.00 0.00 -1.43 2.88 -1.26 -4.48 113.62 109.17 1hds n SER 49 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1hds n SER 49 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.00 0.00 -3.35 0.66 8.25 -1.26 -4.95 115.22 114.57 1hds n HIS 50 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 1hds n HIS 50 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1hds n HIS 50 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1hds s GLY 51 N 0.00 2.19 -0.24 -1.41 0.00 -1.26 -4.98 107.32 101.63 1hds s GLY 51 Ca 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 44.72 42.02 1hds s GLY 51 CO 0.00 1.20 -0.09 -1.35 0.00 0.00 0.00 173.10 172.86 1hds s SER 52 N 3.18 4.11 0.00 1.64 1.04 -1.26 -5.01 113.70 117.39 1hds s SER 52 Ca 0.06 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1hds s SER 52 Cb -0.26 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1hds s SER 52 CO 0.00 -0.11 0.14 0.00 0.98 0.00 0.00 173.24 174.26 1hds n ALA 53 N 4.64 0.33 0.18 5.32 0.00 -1.26 0.66 120.51 130.38 1hds n ALA 53 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1hds n ALA 53 Cb 0.47 -0.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 1hds n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1hds h GLN 54 N 0.00 -0.49 0.00 0.00 4.15 -1.96 -3.25 115.11 113.57 1hds h GLN 54 Ca 0.00 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1hds h GLN 54 Cb 0.05 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1hds h GLN 54 CO 0.00 -0.19 -0.01 0.37 -1.93 0.00 0.00 178.83 177.08 1hds h GLN 55 N -0.98 0.00 0.44 1.69 5.75 0.02 0.42 115.11 122.44 1hds h GLN 55 Ca -0.05 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1hds h GLN 55 Cb 0.53 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1hds h GLN 55 CO 0.09 0.01 -0.21 0.87 -2.65 0.00 0.00 178.83 176.93 1hds h LYS 56 N 0.00 -0.57 0.01 1.69 6.56 -1.78 0.31 116.57 122.79 1hds h LYS 56 Ca -0.00 0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1hds h LYS 56 Cb 0.02 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1hds h LYS 56 CO 0.00 -0.38 -0.00 0.00 -2.06 0.00 0.00 179.45 177.01 1hds h ALA 57 N -1.16 -0.03 -0.88 3.86 0.00 -1.51 -2.80 119.26 116.75 1hds h ALA 57 Ca -0.06 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1hds h ALA 57 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 1hds h ALA 57 CO 0.10 -0.02 -0.49 1.58 0.00 0.00 0.00 179.25 180.42 1hds n HIS 58 N -2.62 -0.31 -0.13 0.00 -0.00 0.14 -2.02 115.22 110.29 1hds n HIS 58 Ca -0.00 1.09 -0.12 0.00 -0.00 0.00 0.00 57.72 58.70 1hds n HIS 58 Cb 0.00 -0.62 -0.02 0.00 -0.00 0.00 0.00 29.99 29.35 1hds n HIS 58 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1hds h GLY 59 N 0.00 0.84 -0.36 1.57 0.00 -0.49 -2.42 103.07 102.21 1hds h GLY 59 Ca 0.17 -0.73 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1hds h GLY 59 CO -0.83 0.66 -0.21 -0.18 0.00 0.00 0.00 176.54 175.98 1hds n GLN 60 N -4.31 -0.16 -0.03 4.80 0.00 -0.85 -3.37 117.38 113.46 1hds n GLN 60 Ca -0.02 0.75 -0.13 0.00 -0.00 0.00 0.00 57.00 57.60 1hds n GLN 60 Cb 0.39 -1.11 -0.09 0.00 0.00 0.00 0.00 30.24 29.43 1hds n GLN 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1hds h LYS 61 N 0.00 0.14 0.00 3.69 -0.00 -1.48 -2.28 116.57 116.64 1hds h LYS 61 Ca 0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1hds h LYS 61 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.38 1hds h LYS 61 CO -0.34 0.59 0.00 1.55 -0.00 0.00 0.00 179.45 181.26 1hds n VAL 62 N -4.73 0.00 0.11 0.07 3.14 -0.95 -2.95 118.33 113.02 1hds n VAL 62 Ca -0.08 1.43 0.19 0.00 -2.96 0.00 0.00 64.34 62.92 1hds n VAL 62 Cb 0.30 -2.43 0.75 0.00 -1.06 0.00 0.00 33.84 31.39 1hds n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hds h ALA 63 N -2.00 2.14 -1.00 1.55 0.00 -1.69 -2.70 119.26 115.56 1hds h ALA 63 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1hds h ALA 63 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1hds h ALA 63 CO 0.00 -0.49 0.66 -0.91 0.00 0.00 0.00 179.25 178.51 1hds h ASN 64 N 0.00 1.13 -0.01 0.00 2.35 -1.31 -2.98 115.58 114.76 1hds h ASN 64 Ca 0.17 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.67 1hds h ASN 64 Cb 0.79 -0.28 0.02 0.00 0.05 0.00 0.00 38.32 38.90 1hds h ASN 64 CO -0.00 0.81 -0.85 0.00 -1.65 0.00 0.00 177.43 175.73 1hds h ALA 65 N 1.39 0.11 0.00 -0.83 0.00 -1.36 -3.22 119.26 115.34 1hds h ALA 65 Ca 0.38 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1hds h ALA 65 Cb -0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1hds h ALA 65 CO -0.09 0.55 0.00 1.28 0.00 0.00 0.00 179.25 180.98 1hds n LEU 66 N -4.01 0.00 0.27 0.00 4.77 -1.17 -3.35 117.00 113.51 1hds n LEU 66 Ca -0.11 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.03 1hds n LEU 66 Cb 0.79 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.57 1hds n LEU 66 CO 0.52 0.00 0.97 0.71 -1.33 0.00 0.00 177.39 178.26 1hds h THR 67 N 0.00 0.17 0.00 -5.08 1.35 -1.53 -1.34 112.91 106.48 1hds h THR 67 Ca 0.00 -0.60 -0.17 0.00 -0.55 0.00 0.00 66.41 65.09 1hds h THR 67 Cb 0.00 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 1hds h THR 67 CO 0.00 0.06 -0.95 0.50 -0.25 0.00 0.00 175.52 174.88 1hds h LYS 68 N 0.00 0.01 -0.46 4.72 1.63 -1.62 -3.33 116.57 117.51 1hds h LYS 68 Ca -0.00 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 1hds h LYS 68 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1hds h LYS 68 CO 0.01 1.01 0.04 0.00 -3.45 0.00 0.00 179.45 177.05 1hds h ALA 69 N -0.35 0.62 -0.24 5.00 0.00 -1.64 -1.06 119.26 121.58 1hds h ALA 69 Ca -0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1hds h ALA 69 Cb 1.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1hds h ALA 69 CO -0.15 0.38 -0.06 -0.56 0.00 0.00 0.00 179.25 178.86 1hds h GLN 70 N 0.65 0.47 -1.09 0.00 -0.00 -1.42 -3.06 115.11 110.66 1hds h GLN 70 Ca 0.14 -0.18 -0.68 0.00 -0.00 0.00 0.00 58.65 57.93 1hds h GLN 70 Cb 0.45 -0.03 -0.30 0.00 -0.00 0.00 0.00 27.48 27.60 1hds h GLN 70 CO 0.02 0.69 0.77 0.41 -0.00 0.00 0.00 178.83 180.72 1hds n GLY 71 N -0.16 5.88 0.00 0.06 0.00 -0.49 -4.57 105.19 105.90 1hds n GLY 71 Ca -0.04 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.86 0.00 -2.35 1.61 1.44 -0.68 -4.90 115.22 109.48 1hds n HIS 72 Ca 0.61 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.90 1hds n HIS 72 Cb 0.64 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.72 1hds n HIS 72 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1hds s LEU 73 N 0.00 3.40 0.00 2.39 1.43 -1.25 0.92 118.68 125.58 1hds s LEU 73 Ca 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1hds s LEU 73 Cb 0.00 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.17 1hds s LEU 73 CO 0.00 -1.75 0.00 -0.46 0.23 0.00 0.00 176.35 174.37 1hds n ASN 74 N 9.79 0.00 -2.55 2.29 2.04 -1.26 -4.94 115.26 120.63 1hds n ASN 74 Ca 0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 54.58 54.25 1hds n ASN 74 Cb 0.49 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.79 1hds n ASN 74 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1hds n ASP 75 N 0.00 1.95 -0.19 0.53 4.64 0.26 -4.65 116.55 119.10 1hds n ASP 75 Ca 0.00 -2.28 -0.02 0.00 -1.38 0.00 0.00 54.79 51.11 1hds n ASP 75 Cb 0.00 -0.44 0.04 0.00 -1.04 0.00 0.00 41.12 39.68 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 2.35 -0.66 0.22 -2.67 -0.00 -1.92 3.39 115.31 116.02 1hds h LEU 76 Ca -0.08 0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1hds h LEU 76 Cb 1.37 0.40 -0.01 0.00 -0.00 0.00 0.00 40.66 42.42 1hds h LEU 76 CO 0.24 -0.22 -0.22 1.55 -0.00 0.00 0.00 178.44 179.79 1hds h PRO 77 N -0.04 -0.42 0.00 1.13 0.13 -1.92 0.24 132.00 131.11 1hds h PRO 77 Ca 0.27 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1hds h PRO 77 Cb 0.46 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1hds h PRO 77 CO -0.61 -0.28 0.25 0.78 -0.23 0.00 0.00 178.00 177.91 1hds h GLY 78 N -0.44 0.00 0.48 1.56 0.00 0.09 -3.08 103.07 101.68 1hds h GLY 78 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1hds h GLY 78 CO -0.03 0.00 -0.04 -0.84 0.00 0.00 0.00 176.54 175.63 1hds h THR 79 N 0.00 1.16 -0.07 4.70 2.02 0.91 -3.37 112.91 118.27 1hds h THR 79 Ca 0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1hds h THR 79 Cb 0.50 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1hds h THR 79 CO 0.00 0.26 0.00 0.18 0.37 0.00 0.00 175.52 176.33 1hds n LEU 80 N -4.91 0.42 -0.02 2.58 4.77 -0.20 -4.38 117.00 115.26 1hds n LEU 80 Ca -0.08 -0.20 -0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1hds n LEU 80 Cb 0.26 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1hds n LEU 80 CO 0.31 0.10 0.02 -1.28 -1.33 0.00 0.00 177.39 175.21 1hds h SER 81 N 0.48 -0.02 0.00 -1.43 0.87 -1.71 5.54 113.55 117.27 1hds h SER 81 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hds h SER 81 Cb 0.11 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1hds h SER 81 CO 0.00 0.32 0.00 -3.20 -0.53 0.00 0.00 176.83 173.42 1hds n ASN 82 N -3.96 0.00 0.00 6.23 4.05 -1.26 -1.67 115.26 118.65 1hds n ASN 82 Ca -0.00 0.54 0.00 0.00 0.45 0.00 0.00 54.58 55.57 1hds n ASN 82 Cb 0.01 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 40.98 1hds n ASN 82 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1hds n LEU 83 N -1.12 0.00 0.14 1.20 4.32 -0.81 -3.38 117.00 117.34 1hds n LEU 83 Ca 0.00 0.27 -0.01 0.00 -0.02 0.00 0.00 56.01 56.25 1hds n LEU 83 Cb 0.00 -0.27 0.18 0.00 -1.62 0.00 0.00 43.42 41.71 1hds n LEU 83 CO 0.00 -0.27 0.51 -1.28 -1.22 0.00 0.00 177.39 175.13 1hds h SER 84 N 0.00 0.00 0.00 -1.43 0.87 1.22 -3.24 113.55 110.97 1hds h SER 84 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hds h SER 84 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1hds h SER 84 CO 0.00 0.60 0.00 -3.20 -0.53 0.00 0.00 176.83 173.70 1hds n ASN 85 N -3.81 0.00 0.00 6.23 5.15 -1.23 -3.08 115.26 118.52 1hds n ASN 85 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1hds n ASN 85 Cb 0.60 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1hds n ASN 85 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1hds n LEU 86 N -1.98 0.00 0.14 1.20 7.94 -1.22 0.24 117.00 123.33 1hds n LEU 86 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1hds n LEU 86 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 1hds n LEU 86 CO 0.00 0.00 0.54 0.45 -1.11 0.00 0.00 177.39 177.27 1hds h HIS 87 N 0.00 -0.36 0.00 1.96 -0.00 -1.67 -0.68 115.15 114.41 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 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1hds h HIS 87 CO 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 177.93 177.91 1hds n ALA 88 N -2.47 0.00 0.00 2.45 0.00 0.14 0.11 120.51 120.73 1hds n ALA 88 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1hds n ALA 88 Cb 0.26 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1hds n ALA 88 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1hds n HIS 89 N -0.75 0.00 -0.08 0.00 -0.00 -1.25 -1.32 115.22 111.81 1hds n HIS 89 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 1hds n HIS 89 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 1hds n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1hds h LYS 90 N 0.00 -0.26 0.72 1.57 1.63 -1.71 -3.37 116.57 115.15 1hds h LYS 90 Ca 0.00 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1hds h LYS 90 Cb 0.00 0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1hds h LYS 90 CO 0.00 -0.17 -0.34 -0.07 -3.45 0.00 0.00 179.45 175.41 1hds h LEU 91 N -0.27 -0.82 -3.72 5.20 4.07 -1.21 -3.51 115.31 115.06 1hds h LEU 91 Ca 0.15 0.01 -0.52 0.00 0.08 0.00 0.00 57.88 57.60 1hds h LEU 91 Cb 0.51 0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.47 1hds h LEU 91 CO -0.46 -0.52 -0.99 -2.11 -1.08 0.00 0.00 178.44 173.28 1hds n ARG 92 N -5.47 -0.78 -3.83 1.13 1.85 0.30 -4.93 116.66 104.92 1hds n ARG 92 Ca -0.14 0.37 -0.34 0.00 -1.00 0.00 0.00 57.85 56.75 1hds n ARG 92 Cb 0.40 -2.83 -0.12 0.00 -1.05 0.00 0.00 32.46 28.86 1hds n ARG 92 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1hds s VAL 93 N -3.35 3.16 0.21 8.89 0.11 -1.22 -4.98 120.40 123.22 1hds s VAL 93 Ca 0.34 -3.01 -0.32 0.00 -2.93 0.00 0.00 61.98 56.07 1hds s VAL 93 Cb -0.17 -3.12 -0.12 0.00 -1.53 0.00 0.00 36.38 31.44 1hds s VAL 93 CO 0.93 -0.82 1.70 0.21 -3.33 0.00 0.00 175.10 173.79 1hds s ASN 94 N 0.39 6.40 0.25 3.54 3.84 -1.26 -4.85 114.94 123.25 1hds s ASN 94 Ca 0.16 2.85 -0.03 0.00 0.21 0.00 0.00 52.86 56.05 1hds s ASN 94 Cb -0.23 -2.60 0.44 0.00 -0.55 0.00 0.00 41.25 38.32 1hds s ASN 94 CO -0.02 -0.96 1.81 1.55 -2.79 0.00 0.00 177.10 176.69 1hds h PRO 95 N 6.71 0.79 0.00 0.43 0.13 -1.98 -1.04 132.00 137.05 1hds h PRO 95 Ca -0.43 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1hds h PRO 95 Cb 1.20 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1hds h PRO 95 CO 0.95 0.52 0.32 -0.39 -0.23 0.00 0.00 178.00 179.17 1hds h VAL 96 N 0.81 0.00 -0.00 1.56 -1.51 -2.02 1.03 116.25 116.12 1hds h VAL 96 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 1hds h VAL 96 Cb 0.42 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1hds h VAL 96 CO -0.26 0.00 -0.06 0.59 -1.23 0.00 0.00 177.57 176.61 1hds n ASN 97 N -2.61 0.31 -0.06 4.19 5.03 -0.39 -4.30 115.26 117.42 1hds n ASN 97 Ca -0.02 -0.53 -0.04 0.00 0.87 0.00 0.00 54.58 54.86 1hds n ASN 97 Cb 0.36 -0.12 -0.02 0.00 -1.02 0.00 0.00 39.78 38.98 1hds n ASN 97 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1hds h PHE 98 N 0.38 0.00 0.00 3.10 0.04 0.98 -2.84 116.94 118.60 1hds h PHE 98 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1hds h PHE 98 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1hds h PHE 98 CO 0.00 0.10 0.50 1.63 -0.60 0.00 0.00 178.31 179.94 1hds n LYS 99 N -4.67 0.01 0.00 1.51 5.02 -1.22 -1.96 118.16 116.84 1hds n LYS 99 Ca -0.06 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1hds n LYS 99 Cb 0.19 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1hds n LYS 99 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1hds n LEU 100 N -1.29 1.34 -0.20 -0.35 4.77 -1.22 -3.60 117.00 116.46 1hds n LEU 100 Ca -0.00 0.11 0.31 0.00 -0.03 0.00 0.00 56.01 56.40 1hds n LEU 100 Cb 0.50 -0.17 0.71 0.00 -2.33 0.00 0.00 43.42 42.13 1hds n LEU 100 CO 0.00 -0.17 1.28 0.25 -1.33 0.00 0.00 177.39 177.43 1hds h LEU 101 N 0.00 0.00 0.18 2.23 5.85 -1.14 -3.10 115.31 119.33 1hds h LEU 101 Ca 0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 1hds h LEU 101 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1hds h LEU 101 CO 0.00 0.00 -1.70 0.28 -0.34 0.00 0.00 178.44 176.68 1hds h SER 102 N 0.00 0.59 0.79 1.25 0.02 -1.72 -1.87 113.55 112.61 1hds h SER 102 Ca 0.46 -0.86 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 1hds h SER 102 Cb 2.08 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 64.43 1hds h SER 102 CO -0.00 1.73 -0.39 -0.74 -1.14 0.00 0.00 176.83 176.28 1hds h HIS 103 N 0.10 -1.02 -0.67 3.45 -0.00 -1.67 -0.26 115.15 115.09 1hds h HIS 103 Ca -0.32 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.07 1hds h HIS 103 Cb 2.09 0.34 -0.05 0.00 -0.00 0.00 0.00 27.41 29.80 1hds h HIS 103 CO 0.10 -0.63 0.40 1.03 -0.00 0.00 0.00 177.93 178.83 1hds h SER 104 N -1.07 0.62 0.80 3.26 0.87 -1.61 -2.88 113.55 113.53 1hds h SER 104 Ca -0.11 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 1hds h SER 104 Cb 0.83 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1hds h SER 104 CO 0.17 0.42 -0.66 0.25 -0.53 0.00 0.00 176.83 176.47 1hds h LEU 105 N 0.75 0.00 0.00 2.23 5.85 -0.74 -1.87 115.31 121.54 1hds h LEU 105 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1hds h LEU 105 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1hds h LEU 105 CO -0.14 0.66 0.00 0.18 -0.34 0.00 0.00 178.44 178.80 1hds n LEU 106 N -3.62 0.00 0.00 2.25 4.32 -0.16 0.65 117.00 120.44 1hds n LEU 106 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1hds n LEU 106 Cb 0.68 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.48 1hds n LEU 106 CO 0.42 0.00 0.00 0.52 -1.22 0.00 0.00 177.39 177.11 1hds n VAL 107 N -0.92 0.00 0.00 4.08 0.31 -0.70 -3.73 118.33 117.37 1hds n VAL 107 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1hds n VAL 107 Cb 0.05 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1hds n VAL 107 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1hds n THR 108 N -0.61 0.00 0.00 2.52 -1.04 -1.22 0.81 114.28 114.74 1hds n THR 108 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1hds n THR 108 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1hds n THR 108 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1hds n LEU 109 N 0.00 0.00 0.00 -4.42 7.99 0.21 -2.31 117.00 118.47 1hds n LEU 109 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1hds n LEU 109 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1hds n LEU 109 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88 1hds n ALA 110 N -0.11 0.00 -0.22 -1.18 0.00 -1.22 0.18 120.51 117.96 1hds n ALA 110 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1hds n ALA 110 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1hds n ALA 110 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hds n SER 111 N 0.00 -0.55 0.11 0.00 7.64 0.24 -1.16 113.62 119.90 1hds n SER 111 Ca 0.00 0.94 -0.04 0.00 1.01 0.00 0.00 58.87 60.77 1hds n SER 111 Cb 0.00 -0.13 0.09 0.00 -1.01 0.00 0.00 64.21 63.16 1hds n SER 111 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1hds h HIS 112 N 0.00 0.12 -1.93 1.43 -0.00 -1.51 -3.37 115.15 109.90 1hds h HIS 112 Ca 0.09 -0.06 -0.56 0.00 -0.00 0.00 0.00 60.37 59.84 1hds h HIS 112 Cb 0.22 -0.02 -0.42 0.00 -0.00 0.00 0.00 27.41 27.20 1hds h HIS 112 CO -0.54 0.77 -0.77 -0.11 -0.00 0.00 0.00 177.93 177.28 1hds n LEU 113 N -3.74 3.90 -0.69 2.43 0.00 0.46 -4.91 117.00 114.45 1hds n LEU 113 Ca -0.02 -5.33 0.00 0.00 0.00 0.00 0.00 56.01 50.67 1hds n LEU 113 Cb 0.69 -0.30 0.00 0.00 0.00 0.00 0.00 43.42 43.81 1hds n LEU 113 CO 0.44 2.26 0.31 -2.65 0.00 0.00 0.00 177.39 177.76 1hds n PRO 114 N -0.24 0.91 -0.11 1.96 -0.02 -1.19 -1.27 135.00 135.04 1hds n PRO 114 Ca 0.31 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.58 1hds n PRO 114 Cb 0.53 -1.30 -0.12 0.00 -0.02 0.00 0.00 33.50 32.60 1hds n PRO 114 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1hds n THR 115 N 0.24 1.55 0.35 3.45 -2.24 -1.26 -4.49 114.28 111.88 1hds n THR 115 Ca 0.00 -0.51 0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1hds n THR 115 Cb 0.31 -1.62 0.11 0.00 -2.10 0.00 0.00 70.33 67.03 1hds n THR 115 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1hds h ASN 116 N -0.28 0.00 -2.89 3.42 -0.26 -2.00 -3.43 115.58 110.13 1hds h ASN 116 Ca -0.57 -0.11 -0.78 0.00 -0.56 0.00 0.00 56.30 54.29 1hds h ASN 116 Cb 1.82 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 38.78 1hds h ASN 116 CO -0.14 0.05 0.55 0.33 -1.06 0.00 0.00 177.43 177.16 1hds n PHE 117 N -2.43 2.75 -1.61 1.19 -0.00 -0.40 -4.75 117.46 112.22 1hds n PHE 117 Ca 0.02 -2.95 -0.38 0.00 -0.00 0.00 0.00 57.45 54.14 1hds n PHE 117 Cb 0.49 -1.20 0.05 0.00 -0.00 0.00 0.00 39.48 38.83 1hds n PHE 117 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1hds n THR 118 N 1.40 3.71 -0.18 -2.13 -1.04 -1.26 -4.71 114.28 110.06 1hds n THR 118 Ca 0.26 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.69 1hds n THR 118 Cb 0.35 -1.12 0.01 0.00 -1.82 0.00 0.00 70.33 67.75 1hds n THR 118 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1hds h PRO 119 N 0.40 0.79 -0.00 -2.82 0.10 -1.97 4.36 132.00 132.86 1hds h PRO 119 Ca -0.48 -0.15 -0.00 0.00 0.10 0.00 0.00 66.00 65.47 1hds h PRO 119 Cb 1.37 -0.12 -0.00 0.00 0.10 0.00 0.00 31.00 32.34 1hds h PRO 119 CO 0.50 0.70 -0.00 0.00 0.10 0.00 0.00 178.00 179.30 1hds h ALA 120 N 1.05 0.01 -1.13 -0.75 0.00 -2.00 0.29 119.26 116.73 1hds h ALA 120 Ca 0.17 -0.19 0.39 0.00 0.00 0.00 0.00 54.91 55.28 1hds h ALA 120 Cb 0.21 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.86 1hds h ALA 120 CO -0.01 -0.30 0.68 -0.39 0.00 0.00 0.00 179.25 179.23 1hds h VAL 121 N -0.38 0.16 -0.55 0.00 -1.51 -1.67 -1.39 116.25 110.92 1hds h VAL 121 Ca 0.00 -0.05 -0.06 0.00 -1.23 0.00 0.00 66.70 65.36 1hds h VAL 121 Cb 0.39 -0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.52 1hds h VAL 121 CO 0.00 0.03 0.10 -0.74 -1.23 0.00 0.00 177.57 175.73 1hds h HIS 122 N 0.15 0.91 0.19 5.19 -0.00 1.05 -2.07 115.15 120.57 1hds h HIS 122 Ca 0.79 -0.10 -0.29 0.00 -0.00 0.00 0.00 60.37 60.77 1hds h HIS 122 Cb 2.17 -0.26 0.02 0.00 -0.00 0.00 0.00 27.41 29.35 1hds h HIS 122 CO -0.01 0.78 -1.32 0.00 -0.00 0.00 0.00 177.93 177.38 1hds h ALA 123 N 1.27 -0.03 0.65 5.26 0.00 0.65 -2.75 119.26 124.31 1hds h ALA 123 Ca 0.18 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1hds h ALA 123 Cb 0.36 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1hds h ALA 123 CO 0.01 0.68 -0.31 -0.91 0.00 0.00 0.00 179.25 178.72 1hds h ASN 124 N -0.09 -0.74 -0.84 0.00 4.21 -1.62 -2.94 115.58 113.56 1hds h ASN 124 Ca -0.25 0.02 0.21 0.00 1.21 0.00 0.00 56.30 57.49 1hds h ASN 124 Cb 1.93 0.19 -0.15 0.00 -1.12 0.00 0.00 38.32 39.18 1hds h ASN 124 CO 0.18 -0.52 0.04 -0.07 -1.29 0.00 0.00 177.43 175.77 1hds h LEU 125 N -0.87 -0.35 -0.36 1.61 3.38 -1.49 0.83 115.31 118.06 1hds h LEU 125 Ca -0.09 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1hds h LEU 125 Cb 0.67 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 1hds h LEU 125 CO 0.15 -0.22 -0.15 -1.13 0.09 0.00 0.00 178.44 177.17 1hds h ASN 126 N 0.09 -0.51 0.00 -0.43 -0.73 -1.43 -1.92 115.58 110.65 1hds h ASN 126 Ca 0.48 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.78 1hds h ASN 126 Cb 0.91 0.29 0.00 0.00 0.27 0.00 0.00 38.32 39.79 1hds h ASN 126 CO -0.74 -0.18 0.00 1.17 -0.37 0.00 0.00 177.43 177.30 1hds n LYS 127 N -5.33 0.00 -0.04 6.67 4.81 -1.06 0.12 118.16 123.33 1hds n LYS 127 Ca 0.01 0.01 -0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1hds n LYS 127 Cb 0.25 -0.62 -0.01 0.00 0.02 0.00 0.00 35.03 34.66 1hds n LYS 127 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1hds n PHE 128 N -0.53 -0.05 -0.17 5.64 -0.00 0.29 0.10 117.46 122.75 1hds n PHE 128 Ca 0.00 0.13 0.14 0.00 -0.00 0.00 0.00 57.45 57.72 1hds n PHE 128 Cb 0.00 -0.36 0.48 0.00 -0.00 0.00 0.00 39.48 39.60 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 0.44 -0.85 -2.13 3.38 -1.34 1.54 115.31 116.35 1hds h LEU 129 Ca 0.02 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1hds h LEU 129 Cb 0.04 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 1hds h LEU 129 CO -0.10 0.24 -0.53 0.00 0.09 0.00 0.00 178.44 178.14 1hds h ALA 130 N 1.64 -0.53 -0.09 1.53 0.00 0.12 -2.53 119.26 119.41 1hds h ALA 130 Ca 0.36 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 1hds h ALA 130 Cb 0.74 1.32 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1hds h ALA 130 CO -0.12 -0.89 -0.20 -0.97 0.00 0.00 0.00 179.25 177.06 1hds h ASN 131 N -0.04 0.34 0.00 0.00 -0.00 0.91 -3.11 115.58 113.67 1hds h ASN 131 Ca 0.14 -0.57 0.00 0.00 -0.00 0.00 0.00 56.30 55.86 1hds h ASN 131 Cb 0.39 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 1hds h ASN 131 CO -0.82 0.85 0.00 -0.67 -0.00 0.00 0.00 177.43 176.79 1hds n ASP 132 N -4.53 0.00 -0.22 1.15 -0.08 0.12 -2.48 116.55 110.51 1hds n ASP 132 Ca -0.07 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1hds n ASP 132 Cb 0.42 -0.02 0.08 0.00 2.34 0.00 0.00 41.12 43.94 1hds n ASP 132 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1hds h SER 133 N 0.00 -0.56 0.33 1.67 0.02 -1.48 -0.13 113.55 113.40 1hds h SER 133 Ca 0.00 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1hds h SER 133 Cb 0.00 0.39 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1hds h SER 133 CO 0.00 -0.21 -0.16 0.74 -1.14 0.00 0.00 176.83 176.06 1hds h THR 134 N 0.02 0.11 -0.10 -2.27 2.02 -1.41 -3.24 112.91 108.04 1hds h THR 134 Ca 0.33 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1hds h THR 134 Cb 0.51 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1hds h THR 134 CO -0.67 0.03 -0.16 -0.37 0.37 0.00 0.00 175.52 174.73 1hds h VAL 135 N -1.09 0.00 0.00 3.16 -1.51 -1.14 -3.24 116.25 112.43 1hds h VAL 135 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1hds h VAL 135 Cb 0.39 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.55 1hds h VAL 135 CO 0.07 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.59 1hds n LEU 136 N -3.44 0.00 -0.01 4.19 4.77 -0.21 -1.17 117.00 121.14 1hds n LEU 136 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1hds n LEU 136 Cb 0.10 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1hds n LEU 136 CO 0.01 0.00 -0.65 0.41 -1.33 0.00 0.00 177.39 175.83 1hds n THR 137 N -0.51 0.06 -0.17 -5.08 -1.04 -1.22 -2.92 114.28 103.40 1hds n THR 137 Ca 0.00 -0.27 -0.04 0.00 -2.04 0.00 0.00 64.05 61.69 1hds n THR 137 Cb 0.00 0.16 -0.04 0.00 -1.82 0.00 0.00 70.33 68.63 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 -1.93 -0.42 0.00 8.00 7.64 -0.31 -2.67 113.62 123.92 1hds n SER 138 Ca -0.03 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1hds n SER 138 Cb 0.34 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1hds n SER 138 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1hds n LYS 139 N -4.40 0.00 0.00 1.43 4.01 -1.26 -1.52 118.16 116.43 1hds n LYS 139 Ca 0.01 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 1hds n LYS 139 Cb 0.10 -0.35 0.00 0.00 -0.51 0.00 0.00 35.03 34.27 1hds n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1hds n TYR 140 N -1.29 0.00 0.00 2.13 0.53 -1.09 -5.15 117.16 112.29 1hds n TYR 140 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1hds n TYR 140 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 1hds n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71