#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h n HIS 3 N 0.00 0.00 -3.17 1.39 8.25 -1.26 -4.82 115.22 115.62 3h1h n HIS 3 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 3h1h n HIS 3 Cb 0.00 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 3h1h n HIS 3 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1h s PHE 4 N -2.32 3.06 0.00 4.41 2.99 -1.26 -3.97 117.98 120.90 3h1h s PHE 4 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 56.93 55.92 3h1h s PHE 4 Cb 0.04 -3.90 0.00 0.00 0.00 0.00 0.00 43.02 39.16 3h1h s PHE 4 CO 0.27 -1.20 0.00 0.41 -0.00 0.00 0.00 175.22 174.70 3h1h n GLY 5 N 5.26 1.13 0.48 4.36 0.00 -1.26 -4.96 105.19 110.20 3h1h n GLY 5 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3h1h n GLY 5 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h1h n ASN 6 N 0.00 3.02 0.12 1.61 3.02 -1.25 -4.81 115.26 116.96 3h1h n ASN 6 Ca 0.00 -2.77 -0.06 0.00 -0.03 0.00 0.00 54.58 51.73 3h1h n ASN 6 Cb 0.00 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3h1h n ASN 6 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h1h h LEU 7 N 1.03 -0.32 -7.41 3.41 3.38 -1.94 -3.49 115.31 109.98 3h1h h LEU 7 Ca 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3h1h h LEU 7 Cb 1.08 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 3h1h h LEU 7 CO 0.09 0.09 -0.12 0.00 0.09 0.00 0.00 178.44 178.59 3h1h s ALA 8 N -3.53 -0.93 -0.59 1.53 0.00 -1.26 -5.10 121.76 111.87 3h1h s ALA 8 Ca -0.05 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 3h1h s ALA 8 Cb 0.01 0.44 0.07 0.00 0.00 0.00 0.00 23.12 23.64 3h1h s ALA 8 CO 0.16 -0.50 0.81 0.50 0.00 0.00 0.00 175.76 176.73 3h1h s ARG 9 N -2.87 3.12 -0.10 0.00 6.06 -1.26 -5.03 118.95 118.88 3h1h s ARG 9 Ca -0.03 -0.92 0.02 0.00 -2.50 0.00 0.00 55.73 52.29 3h1h s ARG 9 Cb 0.00 -4.19 -0.02 0.00 0.06 0.00 0.00 34.95 30.80 3h1h s ARG 9 CO -0.05 -1.57 -0.14 0.08 -2.50 0.00 0.00 175.30 171.11 3h1h s VAL 10 N 3.33 2.98 -0.02 7.11 1.01 -1.26 -5.13 120.40 128.43 3h1h s VAL 10 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3h1h s VAL 10 Cb -0.19 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 33.99 3h1h s VAL 10 CO 0.10 0.55 -0.00 -0.13 0.00 0.00 0.00 175.10 175.62 3h1h s ARG 11 N -0.06 0.22 -0.42 2.72 0.52 -1.26 -4.93 118.95 115.74 3h1h s ARG 11 Ca -0.03 0.04 -0.02 0.00 -0.52 0.00 0.00 55.73 55.20 3h1h s ARG 11 Cb -0.14 -0.35 0.00 0.00 0.52 0.00 0.00 34.95 34.98 3h1h s ARG 11 CO 0.04 -0.08 0.28 0.72 0.02 0.00 0.00 175.30 176.28 3h1h n HIS 12 N 3.79 -0.74 -4.03 -0.53 8.25 -1.26 -5.05 115.22 115.65 3h1h n HIS 12 Ca -0.23 0.24 -0.31 0.00 -0.26 0.00 0.00 57.72 57.17 3h1h n HIS 12 Cb 0.53 -2.12 -0.16 0.00 1.12 0.00 0.00 29.99 29.36 3h1h n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h1h s ILE 13 N -2.94 1.74 -0.07 1.59 1.01 -1.26 -5.10 121.20 116.16 3h1h s ILE 13 Ca 0.14 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 3h1h s ILE 13 Cb -0.06 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3h1h s ILE 13 CO 0.17 0.33 0.16 -0.63 0.00 0.00 0.00 174.94 174.97 3h1h s ILE 14 N 1.38 5.47 0.11 2.92 1.01 -1.26 -5.10 121.20 125.73 3h1h s ILE 14 Ca 0.02 0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.79 3h1h s ILE 14 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3h1h s ILE 14 CO -0.10 0.50 -0.13 0.42 0.00 0.00 0.00 174.94 175.63 3h1h s THR 15 N -1.15 1.18 -0.01 2.92 -4.23 -1.26 -5.15 115.64 107.94 3h1h s THR 15 Ca 0.20 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3h1h s THR 15 Cb -0.12 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 3h1h s THR 15 CO 0.10 -0.42 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.37 3h1h s TYR 16 N -2.08 0.76 0.06 3.99 1.51 -1.26 -5.15 117.35 115.19 3h1h s TYR 16 Ca 0.06 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 55.81 3h1h s TYR 16 Cb -0.05 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.29 3h1h s TYR 16 CO 0.02 -0.05 0.33 -1.12 -1.11 0.00 0.00 175.55 173.62 3h1h s SER 17 N 0.02 -0.15 0.10 2.29 0.01 -1.26 -5.18 113.70 109.54 3h1h s SER 17 Ca 0.00 -0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.13 3h1h s SER 17 Cb -0.06 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 3h1h s SER 17 CO -0.00 -0.67 -0.14 -0.76 0.41 0.00 0.00 173.24 172.08 3h1h s LEU 18 N -2.23 2.86 0.56 2.44 1.43 -1.26 -5.10 118.68 117.38 3h1h s LEU 18 Ca -0.03 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 3h1h s LEU 18 Cb 0.00 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 3h1h s LEU 18 CO -0.05 0.18 0.66 -0.24 0.23 0.00 0.00 176.35 177.14 3h1h n SER 19 N 0.81 -0.46 0.29 2.29 2.88 -1.26 -4.80 113.62 113.38 3h1h n SER 19 Ca -0.15 0.78 0.20 0.00 -1.33 0.00 0.00 58.87 58.37 3h1h n SER 19 Cb 0.52 -1.23 1.02 0.00 -0.75 0.00 0.00 64.21 63.77 3h1h n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h1h h PRO 20 N 0.41 0.00 0.00 -1.46 0.11 -1.99 -2.02 132.00 127.05 3h1h h PRO 20 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h1h h PRO 20 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3h1h h PRO 20 CO 0.49 0.00 -0.60 1.19 -0.21 0.00 0.00 178.00 178.87 3h1h n PHE 21 N -2.89 0.56 1.12 0.65 3.72 -1.26 -3.55 117.46 115.81 3h1h n PHE 21 Ca -0.02 0.16 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 3h1h n PHE 21 Cb 0.10 -0.66 0.32 0.00 -0.94 0.00 0.00 39.48 38.30 3h1h n PHE 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3h1h n GLU 22 N -2.10 2.00 -4.23 -1.08 -0.58 -0.76 -4.95 120.64 108.94 3h1h n GLU 22 Ca 0.03 -1.48 -0.13 0.00 -0.42 0.00 0.00 57.16 55.17 3h1h n GLU 22 Cb 0.44 -1.46 -0.10 0.00 -0.57 0.00 0.00 31.44 29.74 3h1h n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 3h1h s GLN 23 N -1.89 1.15 0.21 3.49 -2.07 -1.23 -5.02 119.66 114.30 3h1h s GLN 23 Ca 0.34 -1.58 -0.26 0.00 -1.82 0.00 0.00 55.36 52.05 3h1h s GLN 23 Cb 0.20 -0.08 -0.08 0.00 -1.09 0.00 0.00 33.01 31.96 3h1h s GLN 23 CO 0.31 -0.23 0.82 1.03 -1.32 0.00 0.00 175.29 175.90 3h1h s ARG 24 N -4.00 4.59 -0.00 9.60 0.52 -1.26 -4.93 118.95 123.45 3h1h s ARG 24 Ca 0.29 1.21 -0.25 0.00 -0.52 0.00 0.00 55.73 56.46 3h1h s ARG 24 Cb 0.07 -3.16 -0.17 0.00 0.52 0.00 0.00 34.95 32.21 3h1h s ARG 24 CO 0.07 0.50 1.23 0.00 0.02 0.00 0.00 175.30 177.12 3h1h h ALA 25 N 4.03 -0.24 -3.45 2.13 0.00 -2.01 -3.38 119.26 116.33 3h1h h ALA 25 Ca -0.47 -0.19 -0.64 0.00 0.00 0.00 0.00 54.91 53.61 3h1h h ALA 25 Cb 1.20 0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.68 3h1h h ALA 25 CO 0.66 -0.44 -0.66 0.42 0.00 0.00 0.00 179.25 179.23 3h1h s ILE 26 N -4.50 2.45 0.29 0.00 1.01 -1.26 -5.10 121.20 114.09 3h1h s ILE 26 Ca -0.14 -3.02 0.06 0.00 0.00 0.00 0.00 60.65 57.55 3h1h s ILE 26 Cb 0.02 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3h1h s ILE 26 CO 0.58 -0.75 0.34 -2.16 0.00 0.00 0.00 174.94 172.95 3h1h s PRO 27 N 0.07 3.10 -1.35 2.79 0.04 -1.26 -4.67 135.00 133.72 3h1h s PRO 27 Ca 0.15 -1.00 -0.15 0.00 0.04 0.00 0.00 61.00 60.04 3h1h s PRO 27 Cb -0.24 -2.72 0.02 0.00 0.04 0.00 0.00 34.50 31.60 3h1h s PRO 27 CO -0.02 0.26 0.42 0.09 0.04 0.00 0.00 177.00 177.78 3h1h n ASN 28 N -1.41 -1.88 -0.31 6.66 3.02 -1.26 -4.64 115.26 115.43 3h1h n ASN 28 Ca -0.05 -1.21 -0.04 0.00 -0.03 0.00 0.00 54.58 53.25 3h1h n ASN 28 Cb 0.58 -2.09 0.08 0.00 -0.61 0.00 0.00 39.78 37.74 3h1h n ASN 28 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h1h h ILE 29 N -2.13 1.23 0.09 2.41 2.04 -1.95 0.34 117.51 119.54 3h1h h ILE 29 Ca -0.68 -0.48 -0.36 0.00 1.00 0.00 0.00 64.86 64.34 3h1h h ILE 29 Cb 1.39 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3h1h h ILE 29 CO 0.60 0.23 -2.07 0.49 0.00 0.00 0.00 178.15 177.40 3h1h n PHE 30 N -4.45 0.99 0.18 1.37 3.01 -1.26 -0.66 117.46 116.64 3h1h n PHE 30 Ca 0.09 0.22 0.02 0.00 1.01 0.00 0.00 57.45 58.80 3h1h n PHE 30 Cb 0.04 -1.13 0.32 0.00 -0.01 0.00 0.00 39.48 38.70 3h1h n PHE 30 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h1h h SER 31 N 0.05 0.00 0.00 4.37 4.64 -1.95 -3.39 113.55 117.27 3h1h h SER 31 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3h1h h SER 31 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 3h1h h SER 31 CO 0.06 0.43 -0.37 -0.67 -0.87 0.00 0.00 176.83 175.41 3h1h n ASP 32 N -3.88 0.16 0.00 4.97 2.03 -0.29 -4.84 116.55 114.70 3h1h n ASP 32 Ca -0.01 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.39 3h1h n ASP 32 Cb 0.48 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 3h1h n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1h n ALA 33 N -3.00 -0.02 -0.17 -1.67 0.00 -0.05 -2.59 120.51 113.02 3h1h n ALA 33 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3h1h n ALA 33 Cb 0.18 0.19 0.06 0.00 0.00 0.00 0.00 19.45 19.88 3h1h n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h1h h LEU 34 N 0.00 -0.32 -1.33 0.00 3.38 -1.13 -1.19 115.31 114.72 3h1h h LEU 34 Ca 0.00 0.14 0.25 0.00 0.09 0.00 0.00 57.88 58.36 3h1h h LEU 34 Cb 0.00 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3h1h h LEU 34 CO 0.00 -0.12 0.65 -0.65 0.09 0.00 0.00 178.44 178.42 3h1h h PRO 35 N 0.07 0.42 0.11 1.13 0.11 -1.75 0.17 132.00 132.25 3h1h h PRO 35 Ca 0.26 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 66.08 3h1h h PRO 35 Cb 0.41 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.43 3h1h h PRO 35 CO -0.48 0.28 -1.19 -0.91 -0.21 0.00 0.00 178.00 175.49 3h1h h ASN 36 N 0.43 0.53 -0.40 -2.05 2.35 -0.99 -1.18 115.58 114.27 3h1h h ASN 36 Ca 0.59 -0.52 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3h1h h ASN 36 Cb 1.42 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 39.58 3h1h h ASN 36 CO -0.30 1.37 0.13 0.58 -1.65 0.00 0.00 177.43 177.56 3h1h h VAL 37 N 0.14 0.87 -0.01 2.81 2.07 0.11 0.20 116.25 122.43 3h1h h VAL 37 Ca -0.14 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3h1h h VAL 37 Cb 1.88 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3h1h h VAL 37 CO 0.20 0.05 0.01 -0.25 0.02 0.00 0.00 177.57 177.60 3h1h h TRP 38 N 0.29 0.02 -0.52 1.57 2.91 -0.98 -0.63 115.95 118.62 3h1h h TRP 38 Ca 0.18 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.31 3h1h h TRP 38 Cb 0.17 -0.01 -0.11 0.00 -0.51 0.00 0.00 29.16 28.71 3h1h h TRP 38 CO -0.15 0.10 -0.25 -0.09 -1.03 0.00 0.00 178.44 177.01 3h1h h ARG 39 N -0.06 -0.13 -0.57 2.65 2.43 -0.20 0.51 114.38 119.01 3h1h h ARG 39 Ca 0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3h1h h ARG 39 Cb 0.08 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3h1h h ARG 39 CO -0.00 -0.08 0.28 0.00 -1.51 0.00 0.00 179.97 178.66 3h1h h ARG 40 N -0.13 0.81 -0.96 0.20 3.08 -0.46 -2.23 114.38 114.69 3h1h h ARG 40 Ca 0.23 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.18 3h1h h ARG 40 Cb 0.50 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3h1h h ARG 40 CO -0.60 0.66 0.63 0.35 -1.07 0.00 0.00 179.97 179.94 3h1h h PHE 41 N 0.77 1.20 0.09 3.04 3.57 0.33 -3.05 116.94 122.88 3h1h h PHE 41 Ca 0.20 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3h1h h PHE 41 Cb 0.10 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.44 3h1h h PHE 41 CO -0.00 0.74 -0.04 0.77 -2.23 0.00 0.00 178.31 177.54 3h1h h SER 42 N 1.28 -0.10 -0.15 0.41 0.02 -0.63 -2.76 113.55 111.62 3h1h h SER 42 Ca 0.36 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3h1h h SER 42 Cb -0.11 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3h1h h SER 42 CO -0.09 0.20 0.43 0.77 -1.14 0.00 0.00 176.83 177.00 3h1h h SER 43 N -0.41 0.00 0.00 3.07 4.64 -1.30 -3.18 113.55 116.37 3h1h h SER 43 Ca -0.01 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.05 3h1h h SER 43 Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 3h1h h SER 43 CO 0.02 0.00 -1.96 0.00 -0.87 0.00 0.00 176.83 174.02 3h1h n GLN 44 N -3.12 0.77 -0.25 4.77 1.13 -1.19 -4.77 117.38 114.72 3h1h n GLN 44 Ca 0.01 0.07 0.01 0.00 -1.94 0.00 0.00 57.00 55.16 3h1h n GLN 44 Cb 0.52 -1.34 0.06 0.00 0.11 0.00 0.00 30.24 29.58 3h1h n GLN 44 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3h1h n VAL 45 N -2.88 -0.33 1.08 5.09 0.31 -1.05 0.13 118.33 120.69 3h1h n VAL 45 Ca -0.28 1.58 0.08 0.00 -0.01 0.00 0.00 64.34 65.71 3h1h n VAL 45 Cb 0.85 -2.13 0.50 0.00 -0.91 0.00 0.00 33.84 32.14 3h1h n VAL 45 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3h1h n PHE 46 N -5.05 0.00 -0.09 3.52 3.72 -1.26 -1.25 117.46 117.04 3h1h n PHE 46 Ca 0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 3h1h n PHE 46 Cb 0.30 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 3h1h n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h1h n LYS 47 N -0.98 0.42 0.00 -1.08 5.02 0.34 -4.67 118.16 117.22 3h1h n LYS 47 Ca 0.13 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3h1h n LYS 47 Cb 0.06 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3h1h n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h1h n VAL 48 N -3.31 0.00 -0.21 -0.18 0.31 -0.88 -4.58 118.33 109.48 3h1h n VAL 48 Ca -0.33 0.40 -0.02 0.00 -0.01 0.00 0.00 64.34 64.37 3h1h n VAL 48 Cb 0.81 -1.25 -0.01 0.00 -0.91 0.00 0.00 33.84 32.48 3h1h n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1h n ALA 49 N -1.86 -0.16 -0.54 3.52 0.00 -0.38 -2.79 120.51 118.30 3h1h n ALA 49 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3h1h n ALA 49 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3h1h n ALA 49 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h1h n PRO 50 N -4.72 0.00 0.24 0.00 -0.02 -1.25 -0.59 135.00 128.67 3h1h n PRO 50 Ca 0.04 0.69 0.17 0.00 -2.02 0.00 0.00 63.50 62.38 3h1h n PRO 50 Cb 0.18 -1.17 0.78 0.00 -0.02 0.00 0.00 33.50 33.27 3h1h n PRO 50 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1h h PRO 51 N 0.00 0.00 0.11 0.52 0.13 -1.78 0.39 132.00 131.38 3h1h h PRO 51 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3h1h h PRO 51 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3h1h h PRO 51 CO 0.00 0.00 -1.21 0.74 -0.23 0.00 0.00 178.00 177.30 3h1h h PHE 52 N 0.00 0.75 -0.07 1.56 0.05 -1.12 -2.41 116.94 115.70 3h1h h PHE 52 Ca 0.07 -0.49 -0.03 0.00 3.82 0.00 0.00 57.97 61.34 3h1h h PHE 52 Cb 0.84 -0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.73 3h1h h PHE 52 CO 0.00 1.35 -0.06 1.25 -0.18 0.00 0.00 178.31 180.67 3h1h h LEU 53 N 0.19 0.18 -1.36 1.54 5.85 0.17 -2.05 115.31 119.83 3h1h h LEU 53 Ca -0.16 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3h1h h LEU 53 Cb 1.89 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.87 3h1h h LEU 53 CO 0.22 0.61 0.10 1.23 -0.34 0.00 0.00 178.44 180.26 3h1h h GLY 54 N -0.25 0.00 0.00 3.75 0.00 -0.40 -1.16 103.07 105.02 3h1h h GLY 54 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 3h1h h GLY 54 CO 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 176.15 3h1h h ALA 55 N 1.74 0.07 -0.62 3.60 0.00 -0.90 -3.28 119.26 119.88 3h1h h ALA 55 Ca 0.00 -0.62 0.11 0.00 0.00 0.00 0.00 54.91 54.40 3h1h h ALA 55 Cb 0.20 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 3h1h h ALA 55 CO 0.00 0.25 -0.32 -0.92 0.00 0.00 0.00 179.25 178.26 3h1h h TYR 56 N -1.00 -0.86 -0.04 0.00 3.20 -0.55 -0.53 116.97 117.19 3h1h h TYR 56 Ca -0.10 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.85 3h1h h TYR 56 Cb 0.87 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 3h1h h TYR 56 CO 0.13 -0.37 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.02 3h1h h LEU 57 N -0.14 -0.58 -1.00 2.82 3.38 -1.56 0.20 115.31 118.44 3h1h h LEU 57 Ca 0.25 0.07 0.37 0.00 0.09 0.00 0.00 57.88 58.66 3h1h h LEU 57 Cb 0.55 0.23 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 3h1h h LEU 57 CO -0.70 -0.17 0.52 0.25 0.09 0.00 0.00 178.44 178.43 3h1h h LEU 58 N -0.21 0.34 0.26 1.67 5.85 -1.43 0.52 115.31 122.33 3h1h h LEU 58 Ca 0.01 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3h1h h LEU 58 Cb 0.23 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3h1h h LEU 58 CO -0.14 -0.32 -0.13 0.22 -0.34 0.00 0.00 178.44 177.73 3h1h h TYR 59 N 0.12 -0.33 -0.01 1.25 3.20 0.51 -0.58 116.97 121.13 3h1h h TYR 59 Ca 0.79 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.67 3h1h h TYR 59 Cb 1.97 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 40.32 3h1h h TYR 59 CO -0.04 -0.07 -0.12 0.77 -1.64 0.00 0.00 178.16 177.07 3h1h h SER 60 N -0.56 -0.34 0.21 -2.11 0.02 0.28 0.16 113.55 111.22 3h1h h SER 60 Ca -0.04 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3h1h h SER 60 Cb 0.41 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3h1h h SER 60 CO 0.06 -0.16 -0.23 -0.25 -1.14 0.00 0.00 176.83 175.11 3h1h h TRP 61 N -0.19 -0.63 -1.15 3.45 7.01 -0.53 0.79 115.95 124.70 3h1h h TRP 61 Ca 0.05 0.01 0.34 0.00 2.11 0.00 0.00 58.89 61.39 3h1h h TRP 61 Cb 0.25 0.25 -0.11 0.00 -2.10 0.00 0.00 29.16 27.45 3h1h h TRP 61 CO -0.18 -0.30 0.74 0.78 -2.79 0.00 0.00 178.44 176.69 3h1h h GLY 62 N -0.44 1.26 0.45 2.65 0.00 -0.99 0.13 103.07 106.13 3h1h h GLY 62 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3h1h h GLY 62 CO -0.03 -0.25 -0.22 -0.84 0.00 0.00 0.00 176.54 175.20 3h1h h THR 63 N 0.26 0.00 -0.92 4.70 2.02 -0.12 -2.75 112.91 116.09 3h1h h THR 63 Ca 0.69 -0.41 0.14 0.00 0.77 0.00 0.00 66.41 67.60 3h1h h THR 63 Cb 1.95 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.26 3h1h h THR 63 CO -0.35 0.00 0.53 1.56 0.37 0.00 0.00 175.52 177.63 3h1h h GLN 64 N -1.01 0.75 -0.78 6.66 4.20 0.22 -0.92 115.11 124.24 3h1h h GLN 64 Ca -0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3h1h h GLN 64 Cb 0.46 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3h1h h GLN 64 CO 0.10 0.50 0.35 1.49 -0.67 0.00 0.00 178.83 180.60 3h1h h GLU 65 N 0.77 1.13 -0.13 1.46 4.57 -0.87 -0.92 114.58 120.60 3h1h h GLU 65 Ca 0.49 -0.18 0.02 0.00 -1.18 0.00 0.00 59.36 58.51 3h1h h GLU 65 Cb 0.63 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3h1h h GLU 65 CO -0.33 0.90 0.01 0.35 -1.18 0.00 0.00 179.01 178.76 3h1h h PHE 66 N 1.11 0.01 -0.67 0.92 3.57 -0.87 -0.84 116.94 120.17 3h1h h PHE 66 Ca 0.26 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3h1h h PHE 66 Cb 0.16 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3h1h h PHE 66 CO 0.01 -0.01 0.38 0.93 -2.23 0.00 0.00 178.31 177.40 3h1h h GLU 67 N 0.05 0.92 -0.52 1.11 4.39 -1.13 -2.42 114.58 116.97 3h1h h GLU 67 Ca 0.06 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3h1h h GLU 67 Cb 0.07 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3h1h h GLU 67 CO -0.10 0.66 0.25 -0.09 -1.16 0.00 0.00 179.01 178.57 3h1h h ARG 68 N 0.93 0.75 0.00 2.33 2.43 -0.33 -1.53 114.38 118.96 3h1h h ARG 68 Ca 0.24 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3h1h h ARG 68 Cb -0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3h1h h ARG 68 CO -0.04 0.62 0.00 1.28 -1.51 0.00 0.00 179.97 180.32 3h1h n LEU 69 N -4.59 0.00 -0.01 3.80 4.77 -0.40 -1.45 117.00 119.12 3h1h n LEU 69 Ca 0.02 0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 56.10 3h1h n LEU 69 Cb 0.12 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 3h1h n LEU 69 CO 0.37 -0.05 -0.56 0.29 -1.33 0.00 0.00 177.39 176.11 3h1h n LYS 70 N -1.11 0.64 -2.04 3.23 5.02 -0.59 -4.92 118.16 118.40 3h1h n LYS 70 Ca 0.10 0.12 -0.34 0.00 -2.02 0.00 0.00 58.31 56.17 3h1h n LYS 70 Cb 0.08 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.40 3h1h n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3h1h s ARG 71 N -2.90 3.13 0.13 1.97 1.81 -0.53 -5.02 118.95 117.55 3h1h s ARG 71 Ca -0.05 1.47 -0.15 0.00 -1.72 0.00 0.00 55.73 55.27 3h1h s ARG 71 Cb 0.09 -1.99 -0.07 0.00 -0.45 0.00 0.00 34.95 32.53 3h1h s ARG 71 CO 0.83 -1.00 0.55 -1.59 -0.68 0.00 0.00 175.30 173.41 3h1h s LYS 72 N -3.70 4.03 -0.42 3.54 -2.85 -1.26 -5.02 119.74 114.06 3h1h s LYS 72 Ca 0.69 0.55 -0.16 0.00 -1.00 0.00 0.00 55.97 56.05 3h1h s LYS 72 Cb -0.21 -3.00 0.02 0.00 -2.06 0.00 0.00 37.83 32.58 3h1h s LYS 72 CO 0.34 0.52 0.36 1.21 0.10 0.00 0.00 175.35 177.87 3h1h s ASN 73 N -1.57 6.15 0.63 0.03 2.47 -1.26 -4.95 114.94 116.44 3h1h s ASN 73 Ca 0.36 -0.80 0.27 0.00 0.42 0.00 0.00 52.86 53.10 3h1h s ASN 73 Cb -0.16 -2.19 1.43 0.00 -1.45 0.00 0.00 41.25 38.88 3h1h s ASN 73 CO 0.19 -0.51 1.83 1.55 -3.72 0.00 0.00 177.10 176.44 3h1h h PRO 74 N 8.67 0.00 -0.38 0.43 0.13 -2.00 -2.09 132.00 136.76 3h1h h PRO 74 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3h1h h PRO 74 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3h1h h PRO 74 CO 0.76 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 3h1h n ALA 75 N -2.07 1.85 -0.00 -0.56 0.00 -1.26 -1.59 120.51 116.88 3h1h n ALA 75 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 3h1h n ALA 75 Cb 0.59 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 3h1h n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h1h n ASP 76 N 0.03 3.18 -0.20 0.00 8.00 -0.79 -4.65 116.55 122.12 3h1h n ASP 76 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 3h1h n ASP 76 Cb 0.09 1.35 0.05 0.00 -0.02 0.00 0.00 41.12 42.59 3h1h n ASP 76 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h1h n TYR 77 N -1.79 0.14 0.25 1.24 0.53 -0.62 -4.72 117.16 112.20 3h1h n TYR 77 Ca -0.02 -0.49 0.11 0.00 -1.02 0.00 0.00 57.90 56.48 3h1h n TYR 77 Cb 0.22 -0.04 0.67 0.00 -1.03 0.00 0.00 39.34 39.16 3h1h n TYR 77 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 3h1h h GLU 78 N 0.64 0.00 -1.52 -0.72 5.08 -1.78 -3.15 114.58 113.12 3h1h h GLU 78 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3h1h h GLU 78 Cb 0.57 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.40 3h1h h GLU 78 CO 0.00 0.13 -0.75 0.09 -1.00 0.00 0.00 179.01 177.48 3h1h n ASN 79 N -3.86 4.55 -1.65 1.42 4.13 -1.26 -4.79 115.26 113.80 3h1h n ASN 79 Ca -0.02 -3.67 -0.16 0.00 1.68 0.00 0.00 54.58 52.41 3h1h n ASN 79 Cb 0.23 -0.47 0.13 0.00 -1.54 0.00 0.00 39.78 38.13 3h1h n ASN 79 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3h1h n ASP 80 N -0.45 4.10 0.00 6.41 8.00 -1.19 -5.21 116.55 128.21 3h1h n ASP 80 Ca 0.37 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 52.10 3h1h n ASP 80 Cb 0.66 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3h1h n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81