#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l s ILE 2 N 0.00 5.11 -0.08 -0.61 -4.36 -1.26 -4.95 121.20 115.06 3h1l s ILE 2 Ca 0.00 1.18 0.01 0.00 -0.26 0.00 0.00 60.65 61.58 3h1l s ILE 2 Cb 0.00 -3.92 0.01 0.00 1.25 0.00 0.00 42.46 39.80 3h1l s ILE 2 CO 0.00 0.30 0.61 1.41 0.24 0.00 0.00 174.94 177.50 3h1l n HIS 3 N 3.65 0.00 -2.90 1.37 8.25 -1.26 -4.93 115.22 119.41 3h1l n HIS 3 Ca -0.05 -0.09 -0.43 0.00 -0.26 0.00 0.00 57.72 56.89 3h1l n HIS 3 Cb 0.51 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 3h1l n HIS 3 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1l s PHE 4 N -0.23 2.90 0.00 4.41 2.99 -1.26 -3.34 117.98 123.46 3h1l s PHE 4 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 56.93 55.95 3h1l s PHE 4 Cb 0.01 -4.28 0.00 0.00 0.00 0.00 0.00 43.02 38.74 3h1l s PHE 4 CO 0.01 -1.56 0.00 0.41 -0.00 0.00 0.00 175.22 174.08 3h1l n GLY 5 N 5.45 0.91 0.14 4.36 0.00 -1.26 -4.99 105.19 109.80 3h1l n GLY 5 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3h1l n GLY 5 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h1l n ASN 6 N 0.00 1.96 0.00 1.61 3.02 -1.22 -4.85 115.26 115.77 3h1l n ASN 6 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 3h1l n ASN 6 Cb 0.00 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3h1l n ASN 6 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h1l n LEU 7 N -4.18 0.00 -3.93 3.41 4.77 -1.21 -4.70 117.00 111.16 3h1l n LEU 7 Ca -0.52 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.36 3h1l n LEU 7 Cb 0.88 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.92 3h1l n LEU 7 CO 0.06 0.00 0.10 0.00 -1.33 0.00 0.00 177.39 176.23 3h1l s ALA 8 N 0.00 -0.26 -0.25 -1.18 0.00 -1.26 -5.14 121.76 113.67 3h1l s ALA 8 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 3h1l s ALA 8 Cb 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 3h1l s ALA 8 CO 0.00 -0.74 0.42 0.50 0.00 0.00 0.00 175.76 175.93 3h1l s ARG 9 N -3.97 4.06 -0.02 0.00 3.52 -1.26 -5.06 118.95 116.22 3h1l s ARG 9 Ca 0.17 0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.95 3h1l s ARG 9 Cb 0.01 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3h1l s ARG 9 CO 0.02 -0.26 -0.08 0.08 -0.81 0.00 0.00 175.30 174.26 3h1l s VAL 10 N 2.00 0.71 0.03 7.11 1.01 -1.26 -5.15 120.40 124.86 3h1l s VAL 10 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3h1l s VAL 10 Cb -0.16 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3h1l s VAL 10 CO 0.09 0.22 -0.06 -0.13 0.00 0.00 0.00 175.10 175.23 3h1l s ARG 11 N 0.13 0.44 -1.12 2.72 0.52 -1.26 -4.93 118.95 115.45 3h1l s ARG 11 Ca -0.02 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3h1l s ARG 11 Cb -0.07 -0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.24 3h1l s ARG 11 CO 0.00 0.02 0.94 0.72 0.02 0.00 0.00 175.30 177.00 3h1l n HIS 12 N 1.62 -2.13 -3.94 -0.53 8.25 -1.26 -5.03 115.22 112.20 3h1l n HIS 12 Ca -0.22 0.86 -0.24 0.00 -0.26 0.00 0.00 57.72 57.86 3h1l n HIS 12 Cb 0.55 -4.75 -0.17 0.00 1.12 0.00 0.00 29.99 26.74 3h1l n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h1l s ILE 13 N -3.31 0.69 -0.10 1.59 1.01 -1.26 -5.12 121.20 114.70 3h1l s ILE 13 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 3h1l s ILE 13 Cb -0.06 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3h1l s ILE 13 CO 0.66 0.30 0.02 -0.63 0.00 0.00 0.00 174.94 175.29 3h1l s ILE 14 N 1.60 4.50 -0.02 2.92 1.01 -1.26 -5.11 121.20 124.84 3h1l s ILE 14 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.50 3h1l s ILE 14 Cb -0.13 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.44 3h1l s ILE 14 CO -0.05 0.60 -0.05 0.42 0.00 0.00 0.00 174.94 175.86 3h1l s THR 15 N -0.83 0.52 -0.00 2.92 -4.23 -1.26 -5.14 115.64 107.61 3h1l s THR 15 Ca 0.13 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.49 3h1l s THR 15 Cb -0.12 -0.49 -0.03 0.00 1.34 0.00 0.00 72.50 73.21 3h1l s THR 15 CO 0.02 0.18 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.81 3h1l s TYR 16 N 0.36 2.61 0.09 3.99 1.51 -1.26 -5.13 117.35 119.51 3h1l s TYR 16 Ca -0.04 -0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 55.69 3h1l s TYR 16 Cb -0.08 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 3h1l s TYR 16 CO -0.00 0.20 0.23 -1.12 -1.11 0.00 0.00 175.55 173.75 3h1l s SER 17 N -1.07 0.05 0.06 2.29 0.01 -1.26 -5.17 113.70 108.61 3h1l s SER 17 Ca 0.13 -0.55 0.09 0.00 1.31 0.00 0.00 55.95 56.94 3h1l s SER 17 Cb -0.11 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 3h1l s SER 17 CO 0.03 -0.72 -0.26 -0.76 0.41 0.00 0.00 173.24 171.94 3h1l s LEU 18 N -2.73 2.20 0.86 2.44 1.43 -1.26 -5.12 118.68 116.50 3h1l s LEU 18 Ca 0.03 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 3h1l s LEU 18 Cb 0.04 -1.25 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 3h1l s LEU 18 CO -0.10 0.24 0.38 -0.24 0.23 0.00 0.00 176.35 176.86 3h1l n SER 19 N 1.61 -1.97 0.21 2.29 2.88 -1.26 -4.86 113.62 112.52 3h1l n SER 19 Ca -0.17 0.43 0.09 0.00 -1.33 0.00 0.00 58.87 57.88 3h1l n SER 19 Cb 0.52 -1.18 0.34 0.00 -0.75 0.00 0.00 64.21 63.14 3h1l n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h1l h PRO 20 N -1.05 0.00 0.00 -1.46 0.11 -2.00 -3.02 132.00 124.58 3h1l h PRO 20 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3h1l h PRO 20 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3h1l h PRO 20 CO 0.37 0.25 0.00 1.19 -0.21 0.00 0.00 178.00 179.59 3h1l n PHE 21 N -3.29 0.00 0.42 0.65 3.72 -1.26 -2.85 117.46 114.84 3h1l n PHE 21 Ca 0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 3h1l n PHE 21 Cb 0.50 -0.34 -0.13 0.00 -0.94 0.00 0.00 39.48 38.57 3h1l n PHE 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3h1l n GLU 22 N -1.34 0.64 -4.72 -1.08 -0.58 -1.14 -5.03 120.64 107.40 3h1l n GLU 22 Ca 0.11 -0.10 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 3h1l n GLU 22 Cb 0.23 -1.44 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 3h1l n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 3h1l s GLN 23 N -3.10 2.16 0.07 3.49 -2.07 -1.13 -5.04 119.66 114.04 3h1l s GLN 23 Ca -0.00 -2.38 -0.20 0.00 -1.82 0.00 0.00 55.36 50.96 3h1l s GLN 23 Cb 0.13 -1.33 -0.07 0.00 -1.09 0.00 0.00 33.01 30.66 3h1l s GLN 23 CO 0.80 -0.41 0.59 1.03 -1.32 0.00 0.00 175.29 175.98 3h1l s ARG 24 N -3.84 4.24 -0.00 9.60 0.52 -1.26 -4.96 118.95 123.24 3h1l s ARG 24 Ca 0.08 0.77 -0.25 0.00 -0.52 0.00 0.00 55.73 55.81 3h1l s ARG 24 Cb 0.01 -3.25 -0.17 0.00 0.52 0.00 0.00 34.95 32.06 3h1l s ARG 24 CO 0.05 0.62 1.22 0.00 0.02 0.00 0.00 175.30 177.21 3h1l h ALA 25 N 4.59 -0.26 -2.44 2.13 0.00 -2.01 -3.38 119.26 117.90 3h1l h ALA 25 Ca -0.49 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 53.63 3h1l h ALA 25 Cb 1.21 0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.69 3h1l h ALA 25 CO 0.64 -0.44 -0.75 -0.89 0.00 0.00 0.00 179.25 177.81 3h1l n ILE 26 N -5.03 0.98 -2.96 0.00 5.41 -1.26 -5.11 119.36 111.40 3h1l n ILE 26 Ca -0.09 -4.60 -0.33 0.00 1.00 0.00 0.00 62.75 58.73 3h1l n ILE 26 Cb 0.25 -2.03 -0.07 0.00 -0.71 0.00 0.00 39.64 37.08 3h1l n ILE 26 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3h1l s PRO 27 N -1.53 4.16 -1.32 0.38 0.04 -1.26 -4.29 135.00 131.18 3h1l s PRO 27 Ca 0.34 0.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.29 3h1l s PRO 27 Cb 0.08 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.30 3h1l s PRO 27 CO -0.11 0.07 0.84 0.09 0.04 0.00 0.00 177.00 177.94 3h1l n ASN 28 N -0.43 -2.22 -0.27 6.66 3.02 -1.26 -4.66 115.26 116.10 3h1l n ASN 28 Ca 0.05 -0.75 0.19 0.00 -0.03 0.00 0.00 54.58 54.04 3h1l n ASN 28 Cb 0.53 -4.34 0.49 0.00 -0.61 0.00 0.00 39.78 35.85 3h1l n ASN 28 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h1l h ILE 29 N -1.97 0.65 0.00 2.41 5.03 -1.97 -0.53 117.51 121.14 3h1l h ILE 29 Ca -0.60 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 63.99 3h1l h ILE 29 Cb 1.36 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 3h1l h ILE 29 CO 0.56 0.08 -0.74 0.49 -0.68 0.00 0.00 178.15 177.86 3h1l n PHE 30 N -4.56 0.45 0.29 1.37 3.01 -1.26 -1.99 117.46 114.78 3h1l n PHE 30 Ca 0.21 0.19 0.14 0.00 1.01 0.00 0.00 57.45 59.01 3h1l n PHE 30 Cb 0.72 -0.62 0.89 0.00 -0.01 0.00 0.00 39.48 40.46 3h1l n PHE 30 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h1l h SER 31 N -0.98 0.00 0.00 4.37 4.64 -1.96 -3.36 113.55 116.26 3h1l h SER 31 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h1l h SER 31 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3h1l h SER 31 CO 0.00 0.00 -0.39 -0.67 -0.87 0.00 0.00 176.83 174.91 3h1l n ASP 32 N -3.91 0.63 0.00 4.97 2.03 -0.42 -4.77 116.55 115.08 3h1l n ASP 32 Ca -0.03 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3h1l n ASP 32 Cb 0.08 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 3h1l n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1l n ALA 33 N -3.29 -0.05 -0.32 -1.67 0.00 -0.34 -2.93 120.51 111.91 3h1l n ALA 33 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3h1l n ALA 33 Cb 0.19 0.11 0.35 0.00 0.00 0.00 0.00 19.45 20.10 3h1l n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h1l h LEU 34 N 0.00 0.39 -0.77 0.00 3.38 -1.58 -0.05 115.31 116.68 3h1l h LEU 34 Ca 0.00 0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.27 3h1l h LEU 34 Cb 0.00 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 3h1l h LEU 34 CO 0.00 -0.02 0.32 -0.65 0.09 0.00 0.00 178.44 178.19 3h1l h PRO 35 N 0.40 0.46 0.00 1.13 0.11 -1.70 -0.21 132.00 132.20 3h1l h PRO 35 Ca 0.60 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.48 3h1l h PRO 35 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3h1l h PRO 35 CO -0.54 0.31 -0.89 -0.91 -0.21 0.00 0.00 178.00 175.75 3h1l h ASN 36 N 0.48 0.31 -0.84 -2.05 2.35 -0.92 0.18 115.58 115.10 3h1l h ASN 36 Ca 0.42 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3h1l h ASN 36 Cb 0.62 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 3h1l h ASN 36 CO -0.39 1.06 0.54 0.58 -1.65 0.00 0.00 177.43 177.56 3h1l h VAL 37 N 0.13 1.13 -0.10 2.81 2.07 -0.44 0.10 116.25 121.96 3h1l h VAL 37 Ca -0.05 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 3h1l h VAL 37 Cb 1.52 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3h1l h VAL 37 CO 0.14 0.19 -0.07 -0.25 0.02 0.00 0.00 177.57 177.60 3h1l h TRP 38 N 1.04 0.26 -0.73 1.57 2.91 -0.88 -2.05 115.95 118.07 3h1l h TRP 38 Ca 0.33 -0.07 0.14 0.00 1.13 0.00 0.00 58.89 60.42 3h1l h TRP 38 Cb 0.01 -0.06 -0.14 0.00 -0.51 0.00 0.00 29.16 28.47 3h1l h TRP 38 CO -0.02 0.61 -0.22 -0.09 -1.03 0.00 0.00 178.44 177.69 3h1l h ARG 39 N -0.16 -0.03 -0.15 2.65 2.43 0.35 -1.19 114.38 118.28 3h1l h ARG 39 Ca 0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3h1l h ARG 39 Cb 0.56 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3h1l h ARG 39 CO 0.02 -0.02 -0.07 0.00 -1.51 0.00 0.00 179.97 178.39 3h1l h ARG 40 N -0.03 0.31 -0.29 0.20 3.08 -0.84 -2.93 114.38 113.88 3h1l h ARG 40 Ca 0.34 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.32 3h1l h ARG 40 Cb 0.55 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.51 3h1l h ARG 40 CO -0.76 0.62 -0.30 0.35 -1.07 0.00 0.00 179.97 178.81 3h1l h PHE 41 N -0.02 -0.83 0.09 3.04 -0.00 -0.57 -2.23 116.94 116.41 3h1l h PHE 41 Ca 0.03 0.05 0.01 0.00 -0.00 0.00 0.00 57.97 58.06 3h1l h PHE 41 Cb 0.53 0.41 -0.04 0.00 -0.00 0.00 0.00 35.95 36.85 3h1l h PHE 41 CO 0.06 -0.37 -0.42 0.77 -0.00 0.00 0.00 178.31 178.35 3h1l h SER 42 N -0.29 -1.27 -0.96 0.41 0.02 -1.27 0.13 113.55 110.32 3h1l h SER 42 Ca 0.14 0.13 0.25 0.00 -0.84 0.00 0.00 61.79 61.48 3h1l h SER 42 Cb 0.52 0.47 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 3h1l h SER 42 CO -0.45 -0.44 0.65 0.77 -1.14 0.00 0.00 176.83 176.22 3h1l h SER 43 N -0.59 0.27 0.14 3.07 4.64 -1.31 -3.11 113.55 116.66 3h1l h SER 43 Ca -0.00 0.04 -0.35 0.00 -0.47 0.00 0.00 61.79 61.00 3h1l h SER 43 Cb 0.60 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 3h1l h SER 43 CO -0.23 0.08 -2.18 0.00 -0.87 0.00 0.00 176.83 173.63 3h1l n GLN 44 N -4.45 0.68 0.27 4.77 1.13 -0.86 -4.51 117.38 114.41 3h1l n GLN 44 Ca 0.21 0.15 0.09 0.00 -1.94 0.00 0.00 57.00 55.51 3h1l n GLN 44 Cb 0.87 -1.62 0.46 0.00 0.11 0.00 0.00 30.24 30.06 3h1l n GLN 44 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3h1l h VAL 45 N 0.01 0.00 -0.01 5.09 3.04 -0.67 -0.66 116.25 123.06 3h1l h VAL 45 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3h1l h VAL 45 Cb 2.07 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 3h1l h VAL 45 CO 0.02 0.00 -0.60 0.49 -1.01 0.00 0.00 177.57 176.47 3h1l n PHE 46 N -2.49 0.00 -0.11 3.17 3.72 -1.26 -2.68 117.46 117.81 3h1l n PHE 46 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 3h1l n PHE 46 Cb 0.52 -0.08 -0.13 0.00 -0.94 0.00 0.00 39.48 38.85 3h1l n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h1l n LYS 47 N -0.94 0.77 0.00 -1.08 5.02 -0.28 -4.50 118.16 117.14 3h1l n LYS 47 Ca 0.07 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3h1l n LYS 47 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3h1l n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h1l n VAL 48 N -2.94 0.00 -0.32 -0.18 0.31 -1.03 -4.58 118.33 109.59 3h1l n VAL 48 Ca -0.37 0.21 -0.03 0.00 -0.01 0.00 0.00 64.34 64.14 3h1l n VAL 48 Cb 1.04 -0.58 -0.00 0.00 -0.91 0.00 0.00 33.84 33.40 3h1l n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1l n ALA 49 N -1.02 -0.22 -0.25 3.52 0.00 -1.09 -3.25 120.51 118.20 3h1l n ALA 49 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.22 3h1l n ALA 49 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3h1l n ALA 49 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h1l n PRO 50 N -5.15 0.00 -0.07 0.00 -0.02 -1.26 -0.56 135.00 127.94 3h1l n PRO 50 Ca 0.06 0.61 0.24 0.00 -2.02 0.00 0.00 63.50 62.40 3h1l n PRO 50 Cb 0.29 -0.98 0.72 0.00 -0.02 0.00 0.00 33.50 33.51 3h1l n PRO 50 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1l h PRO 51 N 0.00 0.00 0.14 0.52 0.13 -1.80 0.18 132.00 131.16 3h1l h PRO 51 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3h1l h PRO 51 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3h1l h PRO 51 CO 0.00 0.00 -0.07 0.74 -0.23 0.00 0.00 178.00 178.44 3h1l h PHE 52 N 0.00 -0.17 -0.80 1.56 0.05 -1.05 -0.96 116.94 115.57 3h1l h PHE 52 Ca 0.33 -0.00 0.14 0.00 3.82 0.00 0.00 57.97 62.25 3h1l h PHE 52 Cb 1.37 0.06 -0.06 0.00 2.00 0.00 0.00 35.95 39.32 3h1l h PHE 52 CO 0.00 0.29 0.53 1.25 -0.18 0.00 0.00 178.31 180.20 3h1l h LEU 53 N -0.76 0.51 0.42 1.54 5.85 -0.01 -0.20 115.31 122.66 3h1l h LEU 53 Ca -0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3h1l h LEU 53 Cb 0.53 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3h1l h LEU 53 CO 0.03 0.27 -0.20 1.23 -0.34 0.00 0.00 178.44 179.43 3h1l h GLY 54 N 0.54 -0.58 1.33 3.75 0.00 -0.52 -2.74 103.07 104.86 3h1l h GLY 54 Ca 0.39 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.96 3h1l h GLY 54 CO -0.15 -0.21 0.40 0.00 0.00 0.00 0.00 176.54 176.58 3h1l h ALA 55 N -0.18 1.64 -0.49 3.60 0.00 -0.58 -2.51 119.26 120.75 3h1l h ALA 55 Ca -0.06 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3h1l h ALA 55 Cb 0.50 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3h1l h ALA 55 CO 0.09 0.31 -0.03 -0.92 0.00 0.00 0.00 179.25 178.70 3h1l h TYR 56 N 0.75 -0.09 0.74 0.00 3.20 -0.77 0.16 116.97 120.95 3h1l h TYR 56 Ca 0.23 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 3h1l h TYR 56 Cb 0.02 0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.41 3h1l h TYR 56 CO -0.00 -0.14 -0.35 -0.07 -1.64 0.00 0.00 178.16 175.96 3h1l h LEU 57 N 0.08 -0.84 -1.83 2.82 3.38 -1.18 0.96 115.31 118.70 3h1l h LEU 57 Ca 0.25 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.53 3h1l h LEU 57 Cb 0.38 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3h1l h LEU 57 CO -0.44 -0.59 0.84 0.25 0.09 0.00 0.00 178.44 178.60 3h1l h LEU 58 N -1.01 0.00 0.05 1.67 5.85 -1.09 0.73 115.31 121.51 3h1l h LEU 58 Ca -0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3h1l h LEU 58 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3h1l h LEU 58 CO 0.17 0.00 -0.03 0.22 -0.34 0.00 0.00 178.44 178.46 3h1l h TYR 59 N 0.00 -0.07 -0.83 1.25 3.20 0.39 -2.79 116.97 118.12 3h1l h TYR 59 Ca 0.48 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.36 3h1l h TYR 59 Cb 2.15 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 40.40 3h1l h TYR 59 CO 0.00 0.48 0.55 0.77 -1.64 0.00 0.00 178.16 178.31 3h1l h SER 60 N -0.94 0.93 0.00 -2.11 0.02 0.18 -1.49 113.55 110.14 3h1l h SER 60 Ca -0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3h1l h SER 60 Cb 0.57 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3h1l h SER 60 CO 0.01 0.66 0.00 1.87 -1.14 0.00 0.00 176.83 178.23 3h1l n TRP 61 N -4.53 0.00 -0.57 3.45 -0.00 0.22 -1.10 117.44 114.92 3h1l n TRP 61 Ca 0.09 0.00 0.47 0.00 -0.00 0.00 0.00 57.50 58.06 3h1l n TRP 61 Cb 0.04 -0.34 0.79 0.00 -0.00 0.00 0.00 31.31 31.81 3h1l n TRP 61 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3h1l h GLY 62 N 0.00 0.00 0.35 5.87 0.00 -1.52 0.22 103.07 107.99 3h1l h GLY 62 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3h1l h GLY 62 CO 0.00 0.00 -0.17 -0.84 0.00 0.00 0.00 176.54 175.53 3h1l h THR 63 N 0.00 0.00 0.00 4.70 2.02 -1.06 -2.71 112.91 115.86 3h1l h THR 63 Ca 0.80 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.62 3h1l h THR 63 Cb 3.25 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.66 3h1l h THR 63 CO -0.01 0.00 -0.01 1.56 0.37 0.00 0.00 175.52 177.43 3h1l h GLN 64 N -0.83 0.00 0.00 6.66 4.20 0.63 -2.11 115.11 123.66 3h1l h GLN 64 Ca -0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 3h1l h GLN 64 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3h1l h GLN 64 CO 0.08 0.01 -0.42 1.49 -0.67 0.00 0.00 178.83 179.32 3h1l h GLU 65 N 0.00 0.00 0.00 1.46 4.57 -0.74 -1.69 114.58 118.18 3h1l h GLU 65 Ca -0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 3h1l h GLU 65 Cb 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3h1l h GLU 65 CO 0.00 0.42 -0.63 0.35 -1.18 0.00 0.00 179.01 177.97 3h1l h PHE 66 N 0.00 0.00 0.10 0.92 3.57 -1.05 -2.98 116.94 117.51 3h1l h PHE 66 Ca -0.00 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.22 3h1l h PHE 66 Cb 1.01 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.77 3h1l h PHE 66 CO 0.00 0.62 -1.18 0.93 -2.23 0.00 0.00 178.31 176.46 3h1l h GLU 67 N 0.00 0.44 -0.53 1.11 4.39 -1.28 -3.25 114.58 115.46 3h1l h GLU 67 Ca -0.01 -0.61 -0.08 0.00 0.34 0.00 0.00 59.36 59.00 3h1l h GLU 67 Cb 1.48 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 3h1l h GLU 67 CO 0.08 1.25 0.00 -0.09 -1.16 0.00 0.00 179.01 179.09 3h1l h ARG 68 N 0.19 0.91 0.00 2.33 2.43 -1.34 -2.36 114.38 116.54 3h1l h ARG 68 Ca -0.15 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3h1l h ARG 68 Cb 1.86 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3h1l h ARG 68 CO 0.21 0.90 0.00 1.28 -1.51 0.00 0.00 179.97 180.85 3h1l n LEU 69 N -4.20 0.00 -0.01 3.80 4.77 -1.13 -2.63 117.00 117.61 3h1l n LEU 69 Ca 0.03 0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 3h1l n LEU 69 Cb 0.32 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 3h1l n LEU 69 CO 0.43 -0.10 -0.37 0.11 -1.33 0.00 0.00 177.39 176.13 3h1l h LYS 70 N 0.00 0.20 -7.11 3.23 1.79 -1.48 -3.47 116.57 109.74 3h1l h LYS 70 Ca 0.00 -0.35 -0.54 0.00 -2.18 0.00 0.00 60.65 57.59 3h1l h LYS 70 Cb 0.17 0.13 0.19 0.00 -1.58 0.00 0.00 32.23 31.14 3h1l h LYS 70 CO 0.00 1.17 0.13 0.54 -1.08 0.00 0.00 179.45 180.21 3h1l n ARG 71 N -4.02 0.03 -3.80 3.15 5.12 -1.08 -5.01 116.66 111.06 3h1l n ARG 71 Ca -0.25 0.08 -0.32 0.00 -1.93 0.00 0.00 57.85 55.44 3h1l n ARG 71 Cb 0.85 -2.30 -0.04 0.00 -1.16 0.00 0.00 32.46 29.81 3h1l n ARG 71 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3h1l s LYS 72 N -4.00 3.53 -0.38 5.56 -2.85 -1.26 -5.02 119.74 115.31 3h1l s LYS 72 Ca 0.70 -0.25 -0.15 0.00 -1.00 0.00 0.00 55.97 55.27 3h1l s LYS 72 Cb -0.28 -2.97 0.01 0.00 -2.06 0.00 0.00 37.83 32.53 3h1l s LYS 72 CO 0.55 0.56 0.30 1.21 0.10 0.00 0.00 175.35 178.07 3h1l s ASN 73 N -2.37 6.11 0.40 0.03 2.47 -1.26 -4.97 114.94 115.35 3h1l s ASN 73 Ca 0.36 -0.66 0.21 0.00 0.42 0.00 0.00 52.86 53.20 3h1l s ASN 73 Cb -0.13 -2.16 1.19 0.00 -1.45 0.00 0.00 41.25 38.70 3h1l s ASN 73 CO 0.25 -0.39 1.71 1.55 -3.72 0.00 0.00 177.10 176.50 3h1l h PRO 74 N 8.58 0.29 0.00 0.43 0.13 -2.00 -2.14 132.00 137.28 3h1l h PRO 74 Ca -0.29 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3h1l h PRO 74 Cb 1.13 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3h1l h PRO 74 CO 0.70 0.19 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 3h1l n ALA 75 N -2.46 1.14 -0.09 -0.56 0.00 -1.26 -1.57 120.51 115.72 3h1l n ALA 75 Ca 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.56 3h1l n ALA 75 Cb 1.05 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 3h1l n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h1l n ASP 76 N -0.67 1.74 -0.91 0.00 8.00 -0.81 -4.57 116.55 119.34 3h1l n ASP 76 Ca 0.00 -0.02 0.04 0.00 0.71 0.00 0.00 54.79 55.52 3h1l n ASP 76 Cb 0.00 -0.34 0.23 0.00 -0.02 0.00 0.00 41.12 40.99 3h1l n ASP 76 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h1l n TYR 77 N -3.24 0.90 -0.15 1.24 4.02 -0.61 -4.58 117.16 114.74 3h1l n TYR 77 Ca -0.40 -1.15 0.04 0.00 -0.01 0.00 0.00 57.90 56.37 3h1l n TYR 77 Cb 1.03 -0.36 0.24 0.00 -0.02 0.00 0.00 39.34 40.22 3h1l n TYR 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1l n GLU 78 N -0.84 3.30 0.00 -0.72 1.02 -1.16 -5.14 120.64 117.12 3h1l n GLU 78 Ca 0.25 -1.90 0.12 0.00 -0.02 0.00 0.00 57.16 55.61 3h1l n GLU 78 Cb 0.92 -1.96 0.12 0.00 -0.02 0.00 0.00 31.44 30.51 3h1l n GLU 78 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40