#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j s ILE 2 N 0.00 4.53 -0.19 -0.61 -4.36 -1.26 -4.91 121.20 114.41 3h1j s ILE 2 Ca 0.00 1.51 0.07 0.00 -0.26 0.00 0.00 60.65 61.97 3h1j s ILE 2 Cb 0.00 -4.38 -0.16 0.00 1.25 0.00 0.00 42.46 39.16 3h1j s ILE 2 CO 0.00 -0.51 -0.08 1.41 0.24 0.00 0.00 174.94 176.00 3h1j n HIS 3 N 6.86 0.00 -1.89 1.37 8.25 -1.26 -4.90 115.22 123.64 3h1j n HIS 3 Ca 0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.17 3h1j n HIS 3 Cb 0.48 -0.79 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 3h1j n HIS 3 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1j s PHE 4 N -2.40 1.53 0.00 4.41 2.99 -1.26 -2.53 117.98 120.72 3h1j s PHE 4 Ca -0.19 0.93 0.00 0.00 0.00 0.00 0.00 56.93 57.67 3h1j s PHE 4 Cb 0.06 -3.97 0.00 0.00 0.00 0.00 0.00 43.02 39.11 3h1j s PHE 4 CO 0.56 -2.59 0.00 0.41 -0.00 0.00 0.00 175.22 173.60 3h1j n GLY 5 N 5.71 0.87 0.30 4.36 0.00 -1.26 -4.99 105.19 110.18 3h1j n GLY 5 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 3h1j n GLY 5 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h1j n ASN 6 N 0.00 1.70 0.00 1.61 3.02 -1.05 -4.90 115.26 115.64 3h1j n ASN 6 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 3h1j n ASN 6 Cb 0.00 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 3h1j n ASN 6 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h1j n LEU 7 N -4.17 0.00 -3.95 3.41 4.77 -1.23 -4.64 117.00 111.18 3h1j n LEU 7 Ca -0.21 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.68 3h1j n LEU 7 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3h1j n LEU 7 CO 0.12 0.00 0.22 0.00 -1.33 0.00 0.00 177.39 176.40 3h1j s ALA 8 N 0.00 -0.44 -0.28 -1.18 0.00 -1.26 -5.14 121.76 113.45 3h1j s ALA 8 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 3h1j s ALA 8 Cb 0.00 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 3h1j s ALA 8 CO 0.00 -0.86 0.21 0.50 0.00 0.00 0.00 175.76 175.61 3h1j s ARG 9 N -3.99 3.91 0.01 0.00 3.52 -1.26 -5.07 118.95 116.08 3h1j s ARG 9 Ca 0.19 -0.32 0.05 0.00 -0.13 0.00 0.00 55.73 55.52 3h1j s ARG 9 Cb -0.01 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 3h1j s ARG 9 CO 0.07 -0.21 -0.14 0.08 -0.81 0.00 0.00 175.30 174.29 3h1j s VAL 10 N 1.78 1.11 -0.00 7.11 1.01 -1.26 -5.15 120.40 125.00 3h1j s VAL 10 Ca 0.08 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3h1j s VAL 10 Cb -0.16 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3h1j s VAL 10 CO 0.11 0.17 0.01 -0.13 0.00 0.00 0.00 175.10 175.26 3h1j s ARG 11 N -0.70 0.09 -1.05 2.72 0.52 -1.26 -4.94 118.95 114.34 3h1j s ARG 11 Ca 0.04 -0.11 -0.05 0.00 -0.52 0.00 0.00 55.73 55.09 3h1j s ARG 11 Cb -0.06 0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.45 3h1j s ARG 11 CO 0.00 -0.01 0.64 0.72 0.02 0.00 0.00 175.30 176.67 3h1j n HIS 12 N 2.74 -1.74 -4.01 -0.53 8.25 -1.26 -5.02 115.22 113.65 3h1j n HIS 12 Ca -0.15 0.55 -0.31 0.00 -0.26 0.00 0.00 57.72 57.56 3h1j n HIS 12 Cb 0.59 -3.71 -0.16 0.00 1.12 0.00 0.00 29.99 27.83 3h1j n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h1j s ILE 13 N -3.11 1.66 -0.01 1.59 1.01 -1.26 -5.11 121.20 115.97 3h1j s ILE 13 Ca 0.32 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 3h1j s ILE 13 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3h1j s ILE 13 CO 0.39 0.29 0.13 -0.63 0.00 0.00 0.00 174.94 175.13 3h1j s ILE 14 N 1.41 5.10 0.04 2.92 1.01 -1.26 -5.11 121.20 125.31 3h1j s ILE 14 Ca 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3h1j s ILE 14 Cb -0.15 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3h1j s ILE 14 CO -0.09 0.34 -0.08 0.42 0.00 0.00 0.00 174.94 175.52 3h1j s THR 15 N -1.26 0.56 -0.04 2.92 -4.23 -1.26 -5.15 115.64 107.19 3h1j s THR 15 Ca 0.25 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 3h1j s THR 15 Cb -0.12 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.11 3h1j s THR 15 CO 0.16 -0.32 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.49 3h1j s TYR 16 N -1.24 1.30 0.06 3.99 1.51 -1.26 -5.14 117.35 116.57 3h1j s TYR 16 Ca -0.08 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.55 3h1j s TYR 16 Cb -0.09 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 3h1j s TYR 16 CO 0.00 -0.14 0.12 -1.12 -1.11 0.00 0.00 175.55 173.31 3h1j s SER 17 N 0.17 0.19 0.11 2.29 0.01 -1.26 -5.17 113.70 110.04 3h1j s SER 17 Ca -0.04 -0.62 0.11 0.00 1.31 0.00 0.00 55.95 56.70 3h1j s SER 17 Cb -0.10 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 3h1j s SER 17 CO 0.01 -0.61 -0.26 -0.76 0.41 0.00 0.00 173.24 172.04 3h1j s LEU 18 N -2.49 2.32 0.57 2.44 1.43 -1.26 -5.11 118.68 116.58 3h1j s LEU 18 Ca 0.00 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 3h1j s LEU 18 Cb 0.02 -1.26 -0.07 0.00 0.03 0.00 0.00 46.19 44.92 3h1j s LEU 18 CO -0.08 0.20 0.82 -0.24 0.23 0.00 0.00 176.35 177.28 3h1j n SER 19 N 1.08 0.21 0.27 2.29 2.88 -1.26 -4.83 113.62 114.27 3h1j n SER 19 Ca -0.18 0.80 0.11 0.00 -1.33 0.00 0.00 58.87 58.28 3h1j n SER 19 Cb 0.53 -1.31 0.76 0.00 -0.75 0.00 0.00 64.21 63.43 3h1j n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h1j h PRO 20 N 0.49 0.00 0.00 -1.46 0.11 -1.99 -1.94 132.00 127.21 3h1j h PRO 20 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h1j h PRO 20 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3h1j h PRO 20 CO 0.50 0.04 0.00 1.19 -0.21 0.00 0.00 178.00 179.52 3h1j n PHE 21 N -4.09 0.55 0.31 0.65 3.72 -1.26 -3.13 117.46 114.21 3h1j n PHE 21 Ca -0.03 0.17 0.11 0.00 -0.05 0.00 0.00 57.45 57.65 3h1j n PHE 21 Cb 0.12 -0.77 0.01 0.00 -0.94 0.00 0.00 39.48 37.91 3h1j n PHE 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3h1j n GLU 22 N -1.96 0.47 -4.18 -1.08 -0.58 -0.73 -4.98 120.64 107.60 3h1j n GLU 22 Ca 0.06 0.04 -0.27 0.00 -0.42 0.00 0.00 57.16 56.57 3h1j n GLU 22 Cb 0.37 -1.70 -0.05 0.00 -0.57 0.00 0.00 31.44 29.49 3h1j n GLU 22 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1j n GLN 23 N -2.32 0.96 -3.66 3.49 10.64 -1.18 -5.04 117.38 120.26 3h1j n GLN 23 Ca 0.01 -3.09 -0.36 0.00 -1.83 0.00 0.00 57.00 51.73 3h1j n GLN 23 Cb 0.50 0.79 -0.07 0.00 -0.86 0.00 0.00 30.24 30.60 3h1j n GLN 23 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3h1j s ARG 24 N -3.56 4.00 0.15 2.61 0.52 -1.26 -4.96 118.95 116.45 3h1j s ARG 24 Ca 0.02 0.01 -0.13 0.00 -0.52 0.00 0.00 55.73 55.12 3h1j s ARG 24 Cb -0.00 -3.34 0.02 0.00 0.52 0.00 0.00 34.95 32.15 3h1j s ARG 24 CO 0.01 0.44 1.62 0.00 0.02 0.00 0.00 175.30 177.40 3h1j h ALA 25 N 6.01 0.67 -3.03 2.13 0.00 -2.01 -3.37 119.26 119.65 3h1j h ALA 25 Ca -0.46 -0.26 -0.59 0.00 0.00 0.00 0.00 54.91 53.60 3h1j h ALA 25 Cb 1.18 -0.19 -0.40 0.00 0.00 0.00 0.00 17.79 18.39 3h1j h ALA 25 CO 0.70 0.43 -0.76 0.42 0.00 0.00 0.00 179.25 180.04 3h1j s ILE 26 N -5.11 0.95 0.31 0.00 1.01 -1.26 -5.12 121.20 111.98 3h1j s ILE 26 Ca -0.13 -1.81 0.08 0.00 0.00 0.00 0.00 60.65 58.80 3h1j s ILE 26 Cb 0.12 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3h1j s ILE 26 CO 0.81 -0.79 0.15 -2.16 0.00 0.00 0.00 174.94 172.96 3h1j s PRO 27 N 1.14 2.51 -1.52 2.79 0.04 -1.26 -4.70 135.00 134.01 3h1j s PRO 27 Ca 0.13 -1.40 -0.05 0.00 0.04 0.00 0.00 61.00 59.73 3h1j s PRO 27 Cb -0.20 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 32.09 3h1j s PRO 27 CO -0.14 0.20 0.40 0.09 0.04 0.00 0.00 177.00 177.60 3h1j n ASN 28 N -1.15 -0.68 0.24 6.66 3.02 -1.26 -4.62 115.26 117.47 3h1j n ASN 28 Ca -0.04 -1.08 0.17 0.00 -0.03 0.00 0.00 54.58 53.60 3h1j n ASN 28 Cb 0.60 -2.61 0.87 0.00 -0.61 0.00 0.00 39.78 38.03 3h1j n ASN 28 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h1j h ILE 29 N -1.72 0.42 0.00 2.41 5.03 -1.95 0.21 117.51 121.91 3h1j h ILE 29 Ca -0.63 0.00 -0.16 0.00 -0.12 0.00 0.00 64.86 63.96 3h1j h ILE 29 Cb 1.38 0.87 -0.03 0.00 -3.03 0.00 0.00 36.82 36.02 3h1j h ILE 29 CO 0.69 0.00 -1.56 0.49 -0.68 0.00 0.00 178.15 177.09 3h1j n PHE 30 N -3.71 0.00 0.33 1.37 3.01 -1.26 -2.38 117.46 114.83 3h1j n PHE 30 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 3h1j n PHE 30 Cb 0.27 -0.37 0.59 0.00 -0.01 0.00 0.00 39.48 39.96 3h1j n PHE 30 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h1j h SER 31 N -0.15 0.00 0.00 4.37 4.64 -1.94 -3.38 113.55 117.08 3h1j h SER 31 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3h1j h SER 31 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3h1j h SER 31 CO -0.09 0.00 -0.03 -0.67 -0.87 0.00 0.00 176.83 175.18 3h1j n ASP 32 N -2.49 -0.04 0.00 4.97 2.03 -0.15 -4.88 116.55 115.99 3h1j n ASP 32 Ca 0.01 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.47 3h1j n ASP 32 Cb 0.21 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 3h1j n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1j n ALA 33 N -2.82 0.00 -0.27 -1.67 0.00 0.56 -2.80 120.51 113.51 3h1j n ALA 33 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3h1j n ALA 33 Cb 0.01 0.14 0.23 0.00 0.00 0.00 0.00 19.45 19.83 3h1j n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h1j h LEU 34 N 0.00 0.06 -1.05 0.00 3.38 -1.70 -0.24 115.31 115.76 3h1j h LEU 34 Ca 0.00 0.16 0.24 0.00 0.09 0.00 0.00 57.88 58.37 3h1j h LEU 34 Cb 0.00 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 40.84 3h1j h LEU 34 CO 0.00 -0.06 0.61 -0.65 0.09 0.00 0.00 178.44 178.43 3h1j h PRO 35 N 0.28 0.58 0.07 1.13 0.11 -1.73 0.10 132.00 132.54 3h1j h PRO 35 Ca 0.48 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.31 3h1j h PRO 35 Cb 0.88 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 3h1j h PRO 35 CO -0.56 0.39 -1.10 -0.91 -0.21 0.00 0.00 178.00 175.61 3h1j h ASN 36 N 0.60 0.25 -0.39 -2.05 2.35 -0.88 -0.93 115.58 114.53 3h1j h ASN 36 Ca 0.62 -0.26 0.04 0.00 -0.55 0.00 0.00 56.30 56.16 3h1j h ASN 36 Cb 1.19 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.43 3h1j h ASN 36 CO -0.43 1.18 0.15 0.58 -1.65 0.00 0.00 177.43 177.26 3h1j h VAL 37 N 0.05 0.90 0.09 2.81 2.07 -0.43 0.30 116.25 122.03 3h1j h VAL 37 Ca -0.08 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3h1j h VAL 37 Cb 1.83 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3h1j h VAL 37 CO 0.17 0.06 -0.04 -0.25 0.02 0.00 0.00 177.57 177.52 3h1j h TRP 38 N 0.32 -0.11 -0.64 1.57 2.91 -0.86 0.19 115.95 119.32 3h1j h TRP 38 Ca 0.18 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.30 3h1j h TRP 38 Cb 0.15 0.04 -0.12 0.00 -0.51 0.00 0.00 29.16 28.72 3h1j h TRP 38 CO -0.14 0.01 -0.38 -0.09 -1.03 0.00 0.00 178.44 176.81 3h1j h ARG 39 N -0.20 -0.16 0.21 2.65 2.43 -0.15 0.38 114.38 119.55 3h1j h ARG 39 Ca -0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3h1j h ARG 39 Cb 0.16 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3h1j h ARG 39 CO 0.02 -0.10 -0.10 0.00 -1.51 0.00 0.00 179.97 178.27 3h1j h ARG 40 N -0.16 -0.28 -0.03 0.20 3.08 -0.28 -1.79 114.38 115.13 3h1j h ARG 40 Ca 0.23 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.32 3h1j h ARG 40 Cb 0.56 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.61 3h1j h ARG 40 CO -0.73 -0.17 -0.50 0.35 -1.07 0.00 0.00 179.97 177.85 3h1j h PHE 41 N -0.30 -1.46 -0.70 3.04 -0.00 0.11 -2.23 116.94 115.40 3h1j h PHE 41 Ca -0.03 0.05 0.13 0.00 -0.00 0.00 0.00 57.97 58.12 3h1j h PHE 41 Cb 0.23 0.64 -0.13 0.00 -0.00 0.00 0.00 35.95 36.69 3h1j h PHE 41 CO -0.06 -0.55 -0.26 0.77 -0.00 0.00 0.00 178.31 178.21 3h1j h SER 42 N -0.62 -0.94 0.73 0.41 0.02 -0.15 -0.72 113.55 112.29 3h1j h SER 42 Ca 0.03 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3h1j h SER 42 Cb 0.70 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3h1j h SER 42 CO -0.37 -0.27 0.00 0.77 -1.14 0.00 0.00 176.83 175.82 3h1j h SER 43 N -0.07 0.00 0.00 3.07 4.64 -0.76 -3.28 113.55 117.15 3h1j h SER 43 Ca 0.31 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 3h1j h SER 43 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3h1j h SER 43 CO -0.75 0.00 -1.56 0.00 -0.87 0.00 0.00 176.83 173.65 3h1j n GLN 44 N -2.46 0.63 0.04 4.77 1.13 -0.38 -4.66 117.38 116.45 3h1j n GLN 44 Ca 0.01 -0.09 0.17 0.00 -1.94 0.00 0.00 57.00 55.15 3h1j n GLN 44 Cb 0.23 -1.28 0.65 0.00 0.11 0.00 0.00 30.24 29.95 3h1j n GLN 44 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3h1j h VAL 45 N 0.00 0.81 -0.00 5.09 3.04 -1.34 -0.05 116.25 123.80 3h1j h VAL 45 Ca -0.04 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3h1j h VAL 45 Cb 0.70 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3h1j h VAL 45 CO 0.00 0.01 -0.09 0.49 -1.01 0.00 0.00 177.57 176.97 3h1j n PHE 46 N -4.42 0.00 -0.13 3.17 3.72 -1.26 -1.84 117.46 116.69 3h1j n PHE 46 Ca 0.07 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.29 3h1j n PHE 46 Cb 0.47 -0.32 -0.12 0.00 -0.94 0.00 0.00 39.48 38.58 3h1j n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h1j n LYS 47 N -1.28 0.64 -0.03 -1.08 5.02 -0.15 -4.54 118.16 116.74 3h1j n LYS 47 Ca 0.11 0.16 -0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3h1j n LYS 47 Cb 0.29 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3h1j n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h1j h VAL 48 N -0.06 0.00 -0.91 -0.18 2.07 -1.32 -3.41 116.25 112.43 3h1j h VAL 48 Ca -0.58 -0.58 0.19 0.00 0.82 0.00 0.00 66.70 66.54 3h1j h VAL 48 Cb 1.87 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.47 3h1j h VAL 48 CO -0.11 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.28 3h1j h ALA 49 N -1.42 0.65 -0.02 1.67 0.00 -1.60 -3.14 119.26 115.40 3h1j h ALA 49 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3h1j h ALA 49 Cb 0.01 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3h1j h ALA 49 CO 0.00 -0.40 -0.02 -1.35 0.00 0.00 0.00 179.25 177.48 3h1j h PRO 50 N 0.00 -0.01 -0.87 0.00 0.11 -1.79 0.59 132.00 130.04 3h1j h PRO 50 Ca 0.45 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.75 3h1j h PRO 50 Cb 0.71 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.76 3h1j h PRO 50 CO -0.93 -0.01 0.58 -1.00 -0.21 0.00 0.00 178.00 176.43 3h1j h PRO 51 N -0.01 0.43 0.04 1.05 0.13 -1.80 0.33 132.00 132.18 3h1j h PRO 51 Ca 0.00 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3h1j h PRO 51 Cb 0.02 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.05 3h1j h PRO 51 CO -0.02 0.28 -0.02 0.74 -0.23 0.00 0.00 178.00 178.75 3h1j h PHE 52 N 0.44 -0.05 -0.72 1.56 0.05 -1.38 -0.92 116.94 115.91 3h1j h PHE 52 Ca 0.45 -0.00 0.15 0.00 3.82 0.00 0.00 57.97 62.39 3h1j h PHE 52 Cb 1.06 0.02 -0.11 0.00 2.00 0.00 0.00 35.95 38.92 3h1j h PHE 52 CO -0.00 0.50 0.18 1.25 -0.18 0.00 0.00 178.31 180.05 3h1j h LEU 53 N -0.66 0.02 0.34 1.54 5.85 0.95 0.38 115.31 123.73 3h1j h LEU 53 Ca -0.01 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3h1j h LEU 53 Cb 0.58 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3h1j h LEU 53 CO 0.01 -0.03 -0.32 1.23 -0.34 0.00 0.00 178.44 178.99 3h1j h GLY 54 N 0.27 -1.04 -0.07 3.75 0.00 -0.27 -1.97 103.07 103.74 3h1j h GLY 54 Ca 0.41 0.47 0.24 0.00 0.00 0.00 0.00 47.33 48.45 3h1j h GLY 54 CO -0.50 -0.33 0.62 0.00 0.00 0.00 0.00 176.54 176.33 3h1j h ALA 55 N -1.25 1.93 -0.23 3.60 0.00 -0.09 0.63 119.26 123.85 3h1j h ALA 55 Ca -0.04 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3h1j h ALA 55 Cb 0.56 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 3h1j h ALA 55 CO -0.03 -0.36 -0.27 -0.92 0.00 0.00 0.00 179.25 177.68 3h1j h TYR 56 N 0.55 -0.73 0.56 0.00 3.20 0.41 0.19 116.97 121.14 3h1j h TYR 56 Ca 0.61 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.50 3h1j h TYR 56 Cb 1.25 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 3h1j h TYR 56 CO -0.00 -0.35 -0.44 -0.07 -1.64 0.00 0.00 178.16 175.66 3h1j h LEU 57 N -0.29 -1.15 -1.60 2.82 3.38 -0.22 -1.63 115.31 116.63 3h1j h LEU 57 Ca 0.13 0.08 0.51 0.00 0.09 0.00 0.00 57.88 58.69 3h1j h LEU 57 Cb 0.49 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 3h1j h LEU 57 CO -0.40 -0.62 1.07 0.25 0.09 0.00 0.00 178.44 178.84 3h1j h LEU 58 N -0.96 0.13 0.52 1.67 5.85 -0.75 0.57 115.31 122.34 3h1j h LEU 58 Ca -0.07 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3h1j h LEU 58 Cb 0.80 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.94 3h1j h LEU 58 CO 0.01 -0.17 -0.25 0.22 -0.34 0.00 0.00 178.44 177.91 3h1j h TYR 59 N 0.00 -0.65 -0.58 1.25 3.20 -0.04 -2.09 116.97 118.06 3h1j h TYR 59 Ca 0.91 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.88 3h1j h TYR 59 Cb 3.17 0.21 -0.11 0.00 1.54 0.00 0.00 36.73 41.54 3h1j h TYR 59 CO -0.00 -0.40 -0.19 0.77 -1.64 0.00 0.00 178.16 176.69 3h1j h SER 60 N -0.85 -0.70 0.34 -2.11 0.02 0.62 0.26 113.55 111.13 3h1j h SER 60 Ca -0.07 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3h1j h SER 60 Cb 0.53 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3h1j h SER 60 CO 0.12 -0.23 -0.30 -0.25 -1.14 0.00 0.00 176.83 175.03 3h1j h TRP 61 N -0.05 -0.83 -0.87 3.45 7.01 -1.16 0.25 115.95 123.75 3h1j h TRP 61 Ca 0.27 0.00 0.20 0.00 2.11 0.00 0.00 58.89 61.47 3h1j h TRP 61 Cb 0.47 0.32 -0.06 0.00 -2.10 0.00 0.00 29.16 27.79 3h1j h TRP 61 CO -0.52 -0.41 0.58 0.78 -2.79 0.00 0.00 178.44 176.08 3h1j h GLY 62 N -0.63 0.80 0.39 2.65 0.00 -0.90 0.53 103.07 105.91 3h1j h GLY 62 Ca -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3h1j h GLY 62 CO -0.01 0.01 -0.19 -0.84 0.00 0.00 0.00 176.54 175.51 3h1j h THR 63 N 0.39 0.00 -0.49 4.70 2.02 -0.11 -1.76 112.91 117.66 3h1j h THR 63 Ca 0.45 -0.36 0.10 0.00 0.77 0.00 0.00 66.41 67.37 3h1j h THR 63 Cb 1.14 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 3h1j h THR 63 CO -0.16 0.00 -0.08 1.56 0.37 0.00 0.00 175.52 177.21 3h1j h GLN 64 N -0.88 0.04 -0.81 6.66 4.20 -0.08 -0.87 115.11 123.37 3h1j h GLN 64 Ca -0.05 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.73 3h1j h GLN 64 Cb 0.40 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 3h1j h GLN 64 CO 0.09 0.02 0.48 1.49 -0.67 0.00 0.00 178.83 180.24 3h1j h GLU 65 N 0.04 0.82 -0.67 1.46 4.57 -0.01 0.29 114.58 121.07 3h1j h GLU 65 Ca 0.24 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3h1j h GLU 65 Cb 0.37 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3h1j h GLU 65 CO -0.47 0.54 0.40 0.35 -1.18 0.00 0.00 179.01 178.65 3h1j h PHE 66 N 0.84 0.90 -0.58 0.92 3.57 -0.33 -2.37 116.94 119.89 3h1j h PHE 66 Ca 0.37 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.77 3h1j h PHE 66 Cb 0.25 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3h1j h PHE 66 CO -0.05 0.61 0.00 0.93 -2.23 0.00 0.00 178.31 177.57 3h1j h GLU 67 N 0.92 1.02 0.15 1.11 4.39 0.09 -3.09 114.58 119.17 3h1j h GLU 67 Ca 0.24 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.63 3h1j h GLU 67 Cb -0.01 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3h1j h GLU 67 CO -0.04 1.01 -0.20 -0.09 -1.16 0.00 0.00 179.01 178.53 3h1j h ARG 68 N 0.91 -0.39 0.00 2.33 2.43 -0.23 0.68 114.38 120.11 3h1j h ARG 68 Ca 0.16 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3h1j h ARG 68 Cb 0.55 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3h1j h ARG 68 CO 0.03 -0.26 0.03 1.28 -1.51 0.00 0.00 179.97 179.54 3h1j n LEU 69 N -5.33 0.00 -0.06 3.80 4.77 -0.91 -0.94 117.00 118.32 3h1j n LEU 69 Ca -0.07 0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 3h1j n LEU 69 Cb 0.24 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3h1j n LEU 69 CO 0.28 -0.16 -0.02 0.11 -1.33 0.00 0.00 177.39 176.28 3h1j h LYS 70 N 0.00 0.00 -6.24 3.23 1.79 -0.85 -3.47 116.57 111.03 3h1j h LYS 70 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 3h1j h LYS 70 Cb 0.06 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 30.90 3h1j h LYS 70 CO 0.00 0.33 -0.97 0.54 -1.08 0.00 0.00 179.45 178.28 3h1j n ARG 71 N -4.68 0.15 -3.51 3.15 5.12 -0.12 -4.94 116.66 111.83 3h1j n ARG 71 Ca -0.07 0.06 -0.31 0.00 -1.93 0.00 0.00 57.85 55.60 3h1j n ARG 71 Cb 0.23 -1.31 -0.05 0.00 -1.16 0.00 0.00 32.46 30.16 3h1j n ARG 71 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3h1j s LYS 72 N -1.77 3.72 -0.51 5.56 -2.85 -1.26 -5.03 119.74 117.59 3h1j s LYS 72 Ca 0.58 0.11 -0.16 0.00 -1.00 0.00 0.00 55.97 55.50 3h1j s LYS 72 Cb -0.40 -2.72 0.09 0.00 -2.06 0.00 0.00 37.83 32.74 3h1j s LYS 72 CO 0.65 0.37 0.47 1.21 0.10 0.00 0.00 175.35 178.15 3h1j s ASN 73 N -2.46 6.17 0.56 0.03 2.47 -1.26 -4.94 114.94 115.50 3h1j s ASN 73 Ca 0.45 -1.44 0.41 0.00 0.42 0.00 0.00 52.86 52.69 3h1j s ASN 73 Cb -0.11 -2.21 1.58 0.00 -1.45 0.00 0.00 41.25 39.05 3h1j s ASN 73 CO 0.23 -0.77 1.70 1.55 -3.72 0.00 0.00 177.10 176.09 3h1j h PRO 74 N 8.85 0.00 0.00 0.43 0.13 -2.01 0.20 132.00 139.60 3h1j h PRO 74 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3h1j h PRO 74 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3h1j h PRO 74 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 3h1j n ALA 75 N -2.78 1.43 0.43 -0.56 0.00 -1.26 -2.20 120.51 115.58 3h1j n ALA 75 Ca 0.31 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.85 3h1j n ALA 75 Cb 1.52 -1.12 0.19 0.00 0.00 0.00 0.00 19.45 20.04 3h1j n ALA 75 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h1j h ASP 76 N 0.00 0.00 0.00 0.00 3.32 -1.02 -3.36 116.42 115.36 3h1j h ASP 76 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3h1j h ASP 76 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3h1j h ASP 76 CO 0.00 0.04 -0.03 -1.22 -1.72 0.00 0.00 179.24 176.31 3h1j n TYR 77 N -2.42 0.00 1.57 4.55 4.02 -0.93 -4.76 117.16 119.19 3h1j n TYR 77 Ca 0.03 -0.38 0.10 0.00 -0.01 0.00 0.00 57.90 57.64 3h1j n TYR 77 Cb 0.47 -0.05 0.58 0.00 -0.02 0.00 0.00 39.34 40.33 3h1j n TYR 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1j n GLU 78 N -0.43 0.79 0.00 -0.72 1.02 -1.14 -2.20 120.64 117.96 3h1j n GLU 78 Ca 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 3h1j n GLU 78 Cb 0.40 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 3h1j n GLU 78 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h1j n ASN 79 N -0.89 0.09 -4.74 1.62 5.03 -1.26 -5.06 115.26 110.05 3h1j n ASN 79 Ca 0.15 -0.55 -0.37 0.00 0.87 0.00 0.00 54.58 54.68 3h1j n ASN 79 Cb 0.07 0.99 0.05 0.00 -1.02 0.00 0.00 39.78 39.87 3h1j n ASN 79 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3h1j s ASP 80 N -1.16 4.87 0.00 6.41 1.11 -0.94 -5.25 116.67 121.72 3h1j s ASP 80 Ca 0.01 2.59 0.01 0.00 0.18 0.00 0.00 52.55 55.34 3h1j s ASP 80 Cb 0.01 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.40 3h1j s ASP 80 CO 0.07 -1.82 0.54 0.00 1.18 0.00 0.00 175.17 175.14