#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpn s VAL 2 N 0.00 3.96 -0.33 2.62 1.01 -0.59 -4.97 120.40 122.11 3hpn s VAL 2 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3hpn s VAL 2 Cb 0.00 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3hpn s VAL 2 CO 0.00 0.40 0.31 -0.69 0.00 0.00 0.00 175.10 175.12 3hpn s VAL 3 N 1.24 5.22 -0.05 2.92 1.01 -1.26 -1.42 120.40 128.05 3hpn s VAL 3 Ca 0.04 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.13 3hpn s VAL 3 Cb -0.15 -3.74 -0.24 0.00 0.00 0.00 0.00 36.38 32.25 3hpn s VAL 3 CO 0.01 0.00 0.62 -0.07 0.00 0.00 0.00 175.10 175.67 3hpn h LEU 4 N 8.61 0.13 -7.33 3.92 3.38 -0.92 -3.48 115.31 119.63 3hpn h LEU 4 Ca -0.31 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.26 3hpn h LEU 4 Cb 1.16 -0.04 -0.24 0.00 0.09 0.00 0.00 40.66 41.62 3hpn h LEU 4 CO 0.65 1.25 -0.26 -0.22 0.09 0.00 0.00 178.44 179.95 3hpn s LEU 5 N -6.41 0.49 -0.35 1.67 2.96 -1.10 -4.95 118.68 110.99 3hpn s LEU 5 Ca -0.09 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 3hpn s LEU 5 Cb 0.08 1.35 0.15 0.00 0.50 0.00 0.00 46.19 48.27 3hpn s LEU 5 CO 0.81 -0.14 0.38 -0.62 -1.32 0.00 0.00 176.35 175.46 3hpn s ASP 6 N 0.22 1.05 0.13 3.68 3.68 -1.25 -0.50 116.67 123.67 3hpn s ASP 6 Ca -0.00 -1.27 -0.19 0.00 2.13 0.00 0.00 52.55 53.22 3hpn s ASP 6 Cb -0.03 0.67 -0.05 0.00 -1.45 0.00 0.00 42.92 42.06 3hpn s ASP 6 CO 0.00 -0.29 1.77 0.15 0.13 0.00 0.00 175.17 176.94 3hpn h PHE 7 N 7.39 0.24 0.00 -5.34 3.57 -1.24 -2.52 116.94 119.05 3hpn h PHE 7 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hpn h PHE 7 Cb 1.07 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3hpn h PHE 7 CO 0.30 0.15 0.00 0.00 -2.23 0.00 0.00 178.31 176.53 3hpn h ALA 8 N 1.09 1.00 -2.37 2.41 0.00 -1.81 -3.15 119.26 116.42 3hpn h ALA 8 Ca 0.08 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.51 3hpn h ALA 8 Cb -0.01 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.85 3hpn h ALA 8 CO -0.04 0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.49 3hpn s ALA 9 N -3.44 3.11 -0.08 0.00 0.00 -0.95 -4.87 121.76 115.54 3hpn s ALA 9 Ca 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 3hpn s ALA 9 Cb 0.09 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 3hpn s ALA 9 CO 0.38 -1.01 1.23 0.00 0.00 0.00 0.00 175.76 176.36 3hpn n ALA 10 N -2.81 2.23 0.00 0.00 0.00 -1.26 -0.31 120.51 118.36 3hpn n ALA 10 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3hpn n ALA 10 Cb 0.58 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3hpn n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpn n GLY 11 N 3.11 -0.43 0.13 0.00 0.00 -1.26 -5.00 105.19 101.74 3hpn n GLY 11 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3hpn n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpn n GLY 12 N 0.00 -1.43 0.07 -0.02 0.00 0.57 -3.00 105.19 101.39 3hpn n GLY 12 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3hpn n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hpn n GLU 13 N -2.27 0.15 -3.10 1.61 0.00 -1.19 -4.53 120.64 111.31 3hpn n GLU 13 Ca 0.03 0.20 -0.36 0.00 0.00 0.00 0.00 57.16 57.03 3hpn n GLU 13 Cb 0.30 -1.71 -0.06 0.00 0.00 0.00 0.00 31.44 29.97 3hpn n GLU 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3hpn s LEU 14 N -3.96 4.30 0.00 -1.84 2.01 -1.16 -4.53 118.68 113.50 3hpn s LEU 14 Ca 0.10 1.41 0.00 0.00 0.01 0.00 0.00 54.13 55.65 3hpn s LEU 14 Cb 0.13 -3.67 0.00 0.00 0.01 0.00 0.00 46.19 42.66 3hpn s LEU 14 CO 0.51 -0.00 0.00 0.61 1.01 0.00 0.00 176.35 178.47 3hpn n GLY 15 N 0.56 0.78 3.88 -3.19 0.00 -1.26 -4.87 105.19 101.09 3hpn n GLY 15 Ca -0.01 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3hpn n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hpn s TRP 16 N -2.00 3.45 -0.04 1.61 0.52 -1.26 -3.37 118.94 117.85 3hpn s TRP 16 Ca 0.00 0.24 0.02 0.00 0.02 0.00 0.00 56.10 56.39 3hpn s TRP 16 Cb 0.00 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 3hpn s TRP 16 CO 0.00 0.59 -0.09 -1.17 0.02 0.00 0.00 176.95 176.30 3hpn s LEU 17 N -2.28 3.06 0.01 2.99 0.20 -0.17 -4.97 118.68 117.52 3hpn s LEU 17 Ca 0.31 -0.11 0.08 0.00 0.69 0.00 0.00 54.13 55.10 3hpn s LEU 17 Cb -0.13 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.91 3hpn s LEU 17 CO 0.23 0.33 -0.25 0.42 -0.29 0.00 0.00 176.35 176.79 3hpn s THR 18 N -0.86 2.03 -0.16 3.68 -4.23 -1.26 -0.11 115.64 114.73 3hpn s THR 18 Ca 0.14 -1.23 -0.08 0.00 -1.18 0.00 0.00 61.69 59.34 3hpn s THR 18 Cb -0.11 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.08 3hpn s THR 18 CO 0.03 0.45 0.38 -2.28 -0.54 0.00 0.00 174.62 172.66 3hpn s HIS 19 N -0.70 -0.58 0.60 3.99 5.04 0.36 -4.04 115.29 119.96 3hpn s HIS 19 Ca 0.10 1.22 -0.17 0.00 -1.54 0.00 0.00 55.06 54.68 3hpn s HIS 19 Cb -0.10 0.22 -0.03 0.00 0.04 0.00 0.00 32.58 32.71 3hpn s HIS 19 CO 0.01 -0.35 1.12 -1.25 -2.34 0.00 0.00 174.74 171.93 3hpn s PRO 20 N 1.62 3.08 0.02 2.88 0.05 -1.26 0.85 135.00 142.23 3hpn s PRO 20 Ca -0.08 1.49 -0.19 0.00 0.05 0.00 0.00 61.00 62.27 3hpn s PRO 20 Cb -0.09 -1.98 -0.06 0.00 0.05 0.00 0.00 34.50 32.42 3hpn s PRO 20 CO -0.12 -1.05 0.55 -0.47 0.05 0.00 0.00 177.00 175.96 3hpn s TYR 21 N -2.08 3.72 0.00 0.56 5.04 -1.26 -4.34 117.35 118.99 3hpn s TYR 21 Ca 0.69 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.50 3hpn s TYR 21 Cb -0.22 -2.52 0.00 0.00 0.35 0.00 0.00 41.96 39.57 3hpn s TYR 21 CO 0.35 0.47 0.00 0.41 -1.34 0.00 0.00 175.55 175.43 3hpn n GLY 22 N 2.15 3.20 0.00 8.97 0.00 -1.26 -4.97 105.19 113.28 3hpn n GLY 22 Ca -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3hpn n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hpn n LYS 23 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.04 118.16 118.49 3hpn n LYS 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hpn n LYS 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hpn n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hpn n GLY 24 N 5.00 0.35 3.76 0.72 0.00 -1.26 -4.67 105.19 109.08 3hpn n GLY 24 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3hpn n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hpn s TRP 25 N 0.00 2.57 -0.10 1.61 0.52 -1.26 -4.70 118.94 117.59 3hpn s TRP 25 Ca 0.00 1.36 -0.04 0.00 0.02 0.00 0.00 56.10 57.44 3hpn s TRP 25 Cb 0.00 -3.76 0.05 0.00 -1.15 0.00 0.00 33.47 28.61 3hpn s TRP 25 CO 0.00 -2.52 0.21 0.34 0.02 0.00 0.00 176.95 175.00 3hpn s ASP 26 N -0.77 0.10 -0.17 2.95 -1.08 -0.54 -4.85 116.67 112.31 3hpn s ASP 26 Ca 0.62 0.45 -0.28 0.00 -0.52 0.00 0.00 52.55 52.82 3hpn s ASP 26 Cb -0.40 0.39 -0.00 0.00 -1.46 0.00 0.00 42.92 41.45 3hpn s ASP 26 CO 0.50 -0.19 0.97 -0.22 0.52 0.00 0.00 175.17 176.74 3hpn s LEU 27 N 1.69 4.17 0.03 -1.34 2.96 -1.26 -1.20 118.68 123.73 3hpn s LEU 27 Ca -0.05 1.36 0.06 0.00 -0.22 0.00 0.00 54.13 55.28 3hpn s LEU 27 Cb -0.11 -3.45 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 3hpn s LEU 27 CO -0.07 -0.52 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.22 3hpn s MET 28 N 2.52 1.20 -0.32 1.98 -1.94 -0.31 -4.98 119.30 117.44 3hpn s MET 28 Ca 0.43 -0.81 -0.09 0.00 -1.71 0.00 0.00 55.69 53.52 3hpn s MET 28 Cb -0.16 -1.25 0.01 0.00 2.01 0.00 0.00 34.83 35.44 3hpn s MET 28 CO 0.12 0.32 0.14 -1.14 -0.01 0.00 0.00 175.02 174.44 3hpn s GLN 29 N -1.02 3.05 0.46 2.03 0.74 -1.26 -1.17 119.66 122.48 3hpn s GLN 29 Ca 0.05 -0.91 -0.02 0.00 0.05 0.00 0.00 55.36 54.53 3hpn s GLN 29 Cb -0.08 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 3hpn s GLN 29 CO 0.01 -0.52 0.71 -0.80 -0.55 0.00 0.00 175.29 174.14 3hpn s ASN 30 N 1.54 6.00 -0.05 6.67 0.01 0.14 -4.89 114.94 124.36 3hpn s ASN 30 Ca 0.03 0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.74 3hpn s ASN 30 Cb -0.18 -1.85 0.02 0.00 0.41 0.00 0.00 41.25 39.65 3hpn s ASN 30 CO 0.05 -0.64 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.30 3hpn s ILE 31 N -2.62 0.69 -0.05 0.60 1.01 -1.26 0.93 121.20 120.50 3hpn s ILE 31 Ca 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.91 3hpn s ILE 31 Cb -0.10 -0.69 0.03 0.00 0.01 0.00 0.00 42.46 41.70 3hpn s ILE 31 CO 0.40 0.26 0.02 -0.32 0.00 0.00 0.00 174.94 175.31 3hpn s MET 32 N 0.92 0.28 -1.39 2.79 1.75 -0.60 -4.83 119.30 118.23 3hpn s MET 32 Ca -0.11 0.18 -0.04 0.00 -1.25 0.00 0.00 55.69 54.47 3hpn s MET 32 Cb -0.15 -0.65 0.00 0.00 2.84 0.00 0.00 34.83 36.87 3hpn s MET 32 CO 0.00 -0.25 0.41 0.09 -0.65 0.00 0.00 175.02 174.62 3hpn n ASN 33 N 4.85 -0.87 0.00 1.11 3.02 -1.26 -0.39 115.26 121.72 3hpn n ASN 33 Ca -0.12 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3hpn n ASN 33 Cb 0.50 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.90 3hpn n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hpn n ASP 34 N -2.89 -2.72 -4.60 6.41 9.92 -1.26 -4.96 116.55 116.44 3hpn n ASP 34 Ca -0.28 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.59 3hpn n ASP 34 Cb 0.67 -2.51 -0.09 0.00 -0.64 0.00 0.00 41.12 38.55 3hpn n ASP 34 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3hpn s MET 35 N -1.23 4.01 0.16 -1.24 -1.94 0.47 -5.04 119.30 114.49 3hpn s MET 35 Ca 0.00 -0.03 -0.31 0.00 -1.71 0.00 0.00 55.69 53.64 3hpn s MET 35 Cb 0.00 -3.65 -0.10 0.00 2.01 0.00 0.00 34.83 33.09 3hpn s MET 35 CO 0.00 -0.25 1.54 -1.25 -0.01 0.00 0.00 175.02 175.05 3hpn s PRO 36 N 1.98 4.23 -0.23 2.03 0.04 -1.26 -1.55 135.00 140.24 3hpn s PRO 36 Ca 0.13 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.50 3hpn s PRO 36 Cb -0.16 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.28 3hpn s PRO 36 CO 0.10 -0.57 -0.06 -1.50 0.04 0.00 0.00 177.00 175.01 3hpn s ILE 37 N 1.07 1.55 0.24 0.56 2.07 0.27 -4.96 121.20 121.99 3hpn s ILE 37 Ca 0.69 -1.21 -0.07 0.00 -1.41 0.00 0.00 60.65 58.65 3hpn s ILE 37 Cb -0.43 -1.80 -0.06 0.00 0.13 0.00 0.00 42.46 40.30 3hpn s ILE 37 CO 0.32 -0.07 0.52 -0.31 -1.91 0.00 0.00 174.94 173.49 3hpn s TYR 38 N 1.39 3.45 0.01 3.50 1.51 -1.26 0.26 117.35 126.21 3hpn s TYR 38 Ca -0.05 0.73 -0.17 0.00 -1.01 0.00 0.00 57.07 56.57 3hpn s TYR 38 Cb -0.19 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.54 3hpn s TYR 38 CO -0.06 0.26 0.38 0.00 -1.11 0.00 0.00 175.55 175.02 3hpn s MET 39 N -3.05 0.82 -0.22 -0.62 0.23 -0.32 -4.77 119.30 111.38 3hpn s MET 39 Ca 0.45 -0.26 -0.10 0.00 -1.03 0.00 0.00 55.69 54.75 3hpn s MET 39 Cb -0.11 0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 33.50 3hpn s MET 39 CO 0.25 -0.26 0.14 0.71 -2.03 0.00 0.00 175.02 173.83 3hpn s TYR 40 N -1.92 3.36 0.01 3.16 1.51 -0.47 -1.17 117.35 121.83 3hpn s TYR 40 Ca -0.09 0.26 -0.01 0.00 -1.01 0.00 0.00 57.07 56.23 3hpn s TYR 40 Cb -0.02 -2.21 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 3hpn s TYR 40 CO 0.01 0.18 0.00 0.45 -1.11 0.00 0.00 175.55 175.08 3hpn s SER 41 N 0.69 0.10 -0.10 2.29 0.15 -0.34 0.40 113.70 116.89 3hpn s SER 41 Ca 0.08 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.33 3hpn s SER 41 Cb -0.12 0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 3hpn s SER 41 CO 0.01 -0.15 0.46 0.54 1.20 0.00 0.00 173.24 175.30 3hpn s VAL 42 N -0.70 0.02 -0.43 4.45 0.11 -0.82 -1.46 120.40 121.58 3hpn s VAL 42 Ca -0.08 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 3hpn s VAL 42 Cb -0.05 -0.71 0.34 0.00 -1.53 0.00 0.00 36.38 34.43 3hpn s VAL 42 CO -0.00 -0.09 1.05 0.00 -3.33 0.00 0.00 175.10 172.73 3hpn n ASN 44 N 0.20 6.19 0.00 0.00 5.03 -1.25 -4.74 115.26 120.69 3hpn n ASN 44 Ca 0.09 -3.36 0.12 0.00 0.87 0.00 0.00 54.58 52.30 3hpn n ASN 44 Cb 0.71 -1.31 0.21 0.00 -1.02 0.00 0.00 39.78 38.38 3hpn n ASN 44 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3hpn n VAL 45 N 1.69 0.01 0.97 2.41 0.24 -1.26 -4.12 118.33 118.26 3hpn n VAL 45 Ca 0.29 -0.01 0.11 0.00 -2.04 0.00 0.00 64.34 62.68 3hpn n VAL 45 Cb 0.34 0.30 -0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3hpn n VAL 45 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hpn n MET 46 N -1.53 1.29 -4.74 7.34 2.81 -1.26 -3.45 117.12 117.59 3hpn n MET 46 Ca 0.05 -1.00 -0.23 0.00 -1.81 0.00 0.00 57.70 54.71 3hpn n MET 46 Cb 0.34 -1.45 -0.15 0.00 -0.71 0.00 0.00 33.22 31.24 3hpn n MET 46 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hpn s SER 47 N -2.40 1.83 1.02 7.83 1.04 -1.26 -4.98 113.70 116.78 3hpn s SER 47 Ca 0.18 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.25 3hpn s SER 47 Cb 0.18 -0.20 0.11 0.00 0.10 0.00 0.00 66.02 66.20 3hpn s SER 47 CO 0.55 0.19 0.61 0.61 0.98 0.00 0.00 173.24 176.18 3hpn n GLY 48 N 2.69 -1.49 2.93 7.32 0.00 -1.26 -4.46 105.19 110.91 3hpn n GLY 48 Ca -0.14 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 3hpn n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hpn n ASP 49 N -3.47 -6.12 -4.73 1.61 10.43 -1.26 -4.94 116.55 108.07 3hpn n ASP 49 Ca 0.08 -0.25 -0.41 0.00 2.57 0.00 0.00 54.79 56.77 3hpn n ASP 49 Cb 0.27 -4.96 -0.04 0.00 1.84 0.00 0.00 41.12 38.24 3hpn n ASP 49 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hpn s GLN 50 N -5.61 4.56 -0.43 -1.24 -1.52 -1.26 -4.96 119.66 109.20 3hpn s GLN 50 Ca 0.26 1.67 0.07 0.00 -1.95 0.00 0.00 55.36 55.41 3hpn s GLN 50 Cb -0.12 -3.33 0.23 0.00 -0.22 0.00 0.00 33.01 29.57 3hpn s GLN 50 CO 0.32 -0.02 0.61 -3.47 -0.25 0.00 0.00 175.29 172.49 3hpn n ASP 51 N 3.02 -1.18 -4.64 5.90 4.64 -1.22 -4.28 116.55 118.79 3hpn n ASP 51 Ca 0.05 -2.83 -0.35 0.00 -1.38 0.00 0.00 54.79 50.29 3hpn n ASP 51 Cb 0.47 0.31 -0.10 0.00 -1.04 0.00 0.00 41.12 40.76 3hpn n ASP 51 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 3hpn s ASN 52 N -0.87 5.25 -0.05 1.67 0.01 0.22 -4.47 114.94 116.69 3hpn s ASN 52 Ca 0.33 0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.62 3hpn s ASN 52 Cb 0.14 -1.64 -0.00 0.00 0.41 0.00 0.00 41.25 40.16 3hpn s ASN 52 CO -0.16 0.30 -0.19 0.26 -1.51 0.00 0.00 177.10 175.80 3hpn s TRP 53 N -0.41 1.96 -0.15 2.20 0.52 0.25 0.76 118.94 124.07 3hpn s TRP 53 Ca 0.08 -0.60 0.01 0.00 0.02 0.00 0.00 56.10 55.61 3hpn s TRP 53 Cb -0.12 -1.31 0.02 0.00 -1.15 0.00 0.00 33.47 30.91 3hpn s TRP 53 CO 0.02 -0.21 -0.17 -1.17 0.02 0.00 0.00 176.95 175.45 3hpn s LEU 54 N 0.05 1.83 -0.13 2.99 2.96 0.64 -0.49 118.68 126.54 3hpn s LEU 54 Ca -0.06 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 3hpn s LEU 54 Cb -0.13 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.31 3hpn s LEU 54 CO 0.03 -0.01 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.22 3hpn s ARG 55 N 1.27 3.03 1.08 1.98 3.52 0.84 0.94 118.95 131.61 3hpn s ARG 55 Ca 0.01 -0.86 -0.12 0.00 -0.13 0.00 0.00 55.73 54.63 3hpn s ARG 55 Cb -0.14 -2.40 0.22 0.00 -1.56 0.00 0.00 34.95 31.08 3hpn s ARG 55 CO -0.08 0.05 0.98 0.25 -0.81 0.00 0.00 175.30 175.69 3hpn n THR 56 N 3.90 0.00 -0.73 4.11 -2.24 -0.60 -1.00 114.28 117.73 3hpn n THR 56 Ca -0.20 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.02 3hpn n THR 56 Cb 0.52 -0.96 0.20 0.00 -2.10 0.00 0.00 70.33 67.99 3hpn n THR 56 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hpn s ASN 57 N -2.44 2.03 0.27 3.42 4.22 -1.22 -4.72 114.94 116.50 3hpn s ASN 57 Ca 0.67 1.70 -0.30 0.00 -2.14 0.00 0.00 52.86 52.79 3hpn s ASN 57 Cb -0.24 -2.35 -0.11 0.00 1.28 0.00 0.00 41.25 39.83 3hpn s ASN 57 CO 0.63 -3.58 1.61 0.86 -2.04 0.00 0.00 177.10 174.58 3hpn s TRP 58 N -2.62 2.80 -0.13 1.54 -0.00 -1.26 -4.74 118.94 114.54 3hpn s TRP 58 Ca 0.67 0.72 0.02 0.00 -0.00 0.00 0.00 56.10 57.51 3hpn s TRP 58 Cb -0.23 -4.06 0.01 0.00 -0.00 0.00 0.00 33.47 29.19 3hpn s TRP 58 CO 0.61 -3.66 -0.20 0.08 -0.00 0.00 0.00 176.95 173.78 3hpn s VAL 59 N 0.23 1.92 0.29 5.86 1.01 0.16 -4.97 120.40 124.91 3hpn s VAL 59 Ca 0.65 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 3hpn s VAL 59 Cb -0.48 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 3hpn s VAL 59 CO 0.44 0.52 1.24 -0.31 0.00 0.00 0.00 175.10 177.00 3hpn s TYR 60 N 0.83 3.25 0.09 5.22 1.51 -1.26 -0.37 117.35 126.62 3hpn s TYR 60 Ca -0.08 1.47 -0.13 0.00 -1.01 0.00 0.00 57.07 57.32 3hpn s TYR 60 Cb -0.15 -3.54 -0.19 0.00 -0.11 0.00 0.00 41.96 37.97 3hpn s TYR 60 CO -0.01 -1.45 1.26 -0.09 -1.11 0.00 0.00 175.55 174.15 3hpn h ARG 61 N 3.89 0.77 0.00 -0.62 2.43 -1.01 -3.47 114.38 116.37 3hpn h ARG 61 Ca -0.47 -0.70 0.00 0.00 -0.81 0.00 0.00 59.98 58.00 3hpn h ARG 61 Cb 1.22 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 3hpn h ARG 61 CO 0.68 1.29 0.00 0.41 -1.51 0.00 0.00 179.97 180.84 3hpn n GLY 62 N 0.85 3.53 1.00 2.80 0.00 -1.26 -2.36 105.19 109.75 3hpn n GLY 62 Ca -0.09 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3hpn n GLY 62 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hpn n GLU 63 N 14.00 2.31 -1.72 1.61 0.28 -1.26 -4.97 120.64 130.89 3hpn n GLU 63 Ca 0.00 -1.97 -0.43 0.00 -0.16 0.00 0.00 57.16 54.60 3hpn n GLU 63 Cb 0.00 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.37 3hpn n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hpn n ALA 64 N 1.20 1.82 -0.07 -1.84 0.00 -0.99 -4.94 120.51 115.69 3hpn n ALA 64 Ca 0.18 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.88 3hpn n ALA 64 Cb 0.54 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 3hpn n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hpn n GLU 65 N 1.58 0.30 -4.51 0.00 1.02 -1.26 -4.67 120.64 113.10 3hpn n GLU 65 Ca 0.08 0.10 -0.33 0.00 -0.02 0.00 0.00 57.16 56.99 3hpn n GLU 65 Cb 0.35 -1.12 -0.16 0.00 -0.02 0.00 0.00 31.44 30.49 3hpn n GLU 65 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hpn s ARG 66 N -2.25 3.02 0.12 3.49 3.52 -1.26 -0.23 118.95 125.36 3hpn s ARG 66 Ca -0.18 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.61 3hpn s ARG 66 Cb 0.06 -2.48 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 3hpn s ARG 66 CO 0.27 -0.07 0.15 0.96 -0.81 0.00 0.00 175.30 175.80 3hpn s ILE 67 N 0.95 4.72 -0.07 4.11 -4.36 -0.51 -4.41 121.20 121.62 3hpn s ILE 67 Ca -0.04 -0.84 0.03 0.00 -0.26 0.00 0.00 60.65 59.54 3hpn s ILE 67 Cb -0.15 -3.35 -0.02 0.00 1.25 0.00 0.00 42.46 40.19 3hpn s ILE 67 CO -0.05 0.00 -0.16 -0.36 0.24 0.00 0.00 174.94 174.61 3hpn s PHE 68 N -1.60 2.69 -0.22 1.37 0.40 0.29 -1.82 117.98 119.08 3hpn s PHE 68 Ca 0.31 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 3hpn s PHE 68 Cb -0.11 -1.69 0.05 0.00 0.51 0.00 0.00 43.02 41.78 3hpn s PHE 68 CO 0.24 -0.00 -0.10 0.42 0.70 0.00 0.00 175.22 176.48 3hpn s ILE 69 N -0.31 1.80 -0.22 0.64 1.01 0.97 -0.46 121.20 124.64 3hpn s ILE 69 Ca 0.02 -1.24 -0.06 0.00 0.00 0.00 0.00 60.65 59.37 3hpn s ILE 69 Cb -0.13 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 3hpn s ILE 69 CO 0.03 0.07 0.03 -0.70 0.00 0.00 0.00 174.94 174.37 3hpn s GLU 70 N 1.30 3.67 -0.11 2.79 2.12 0.14 -1.17 118.70 127.44 3hpn s GLU 70 Ca -0.04 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.82 3hpn s GLU 70 Cb -0.18 -3.18 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 3hpn s GLU 70 CO -0.07 -0.04 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.93 3hpn s LEU 71 N 1.17 2.48 -0.09 2.70 1.43 0.15 -0.80 118.68 125.71 3hpn s LEU 71 Ca 0.04 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3hpn s LEU 71 Cb -0.14 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 3hpn s LEU 71 CO 0.02 0.19 -0.24 -0.54 0.23 0.00 0.00 176.35 176.01 3hpn s LYS 72 N 0.21 2.97 0.18 1.70 1.02 -0.32 -1.10 119.74 124.40 3hpn s LYS 72 Ca -0.11 -0.88 -0.22 0.00 0.02 0.00 0.00 55.97 54.78 3hpn s LYS 72 Cb -0.16 -2.29 0.06 0.00 -0.52 0.00 0.00 37.83 34.92 3hpn s LYS 72 CO 0.06 0.22 0.61 -0.59 -0.92 0.00 0.00 175.35 174.73 3hpn s PHE 73 N 0.25 -0.44 0.12 3.18 -0.12 -0.79 -0.23 117.98 119.96 3hpn s PHE 73 Ca -0.16 0.17 0.10 0.00 -0.05 0.00 0.00 56.93 56.98 3hpn s PHE 73 Cb -0.17 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 3hpn s PHE 73 CO 0.08 -0.92 -0.24 0.95 -0.05 0.00 0.00 175.22 175.04 3hpn s THR 74 N -3.79 1.99 -0.09 -4.49 -4.23 -0.15 -0.61 115.64 104.26 3hpn s THR 74 Ca 0.03 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3hpn s THR 74 Cb -0.02 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 72.04 3hpn s THR 74 CO -0.09 -0.01 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.18 3hpn s VAL 75 N -1.18 1.24 0.14 2.29 1.01 -1.26 -0.98 120.40 121.66 3hpn s VAL 75 Ca 0.11 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3hpn s VAL 75 Cb -0.10 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 3hpn s VAL 75 CO 0.05 0.39 0.98 -0.60 0.00 0.00 0.00 175.10 175.92 3hpn s ARG 76 N 1.04 4.70 0.18 2.72 3.52 -0.32 -0.65 118.95 130.14 3hpn s ARG 76 Ca -0.07 1.50 -0.33 0.00 -0.13 0.00 0.00 55.73 56.70 3hpn s ARG 76 Cb -0.15 -3.35 -0.13 0.00 -1.56 0.00 0.00 34.95 29.76 3hpn s ARG 76 CO -0.01 0.23 1.63 -3.47 -0.81 0.00 0.00 175.30 172.87 3hpn n ASP 77 N 2.56 3.40 0.27 -2.12 4.64 -0.55 -4.60 116.55 120.16 3hpn n ASP 77 Ca 0.02 1.07 0.14 0.00 -1.38 0.00 0.00 54.79 54.65 3hpn n ASP 77 Cb 0.48 -1.48 0.74 0.00 -1.04 0.00 0.00 41.12 39.83 3hpn n ASP 77 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hpn n ASN 79 N -3.43 0.00 -1.17 0.00 5.03 -1.26 -3.52 115.26 110.90 3hpn n ASN 79 Ca -0.01 -1.12 0.09 0.00 0.87 0.00 0.00 54.58 54.41 3hpn n ASN 79 Cb 0.26 0.00 0.28 0.00 -1.02 0.00 0.00 39.78 39.29 3hpn n ASN 79 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3hpn n SER 80 N -0.92 3.41 -4.17 6.41 3.41 -0.67 -4.65 113.62 116.44 3hpn n SER 80 Ca 0.19 -2.07 -0.39 0.00 -0.26 0.00 0.00 58.87 56.34 3hpn n SER 80 Cb 0.09 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 3hpn n SER 80 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hpn s PHE 81 N -1.30 3.49 0.99 7.33 0.40 -1.23 -4.98 117.98 122.68 3hpn s PHE 81 Ca 0.41 -2.25 -0.16 0.00 -0.60 0.00 0.00 56.93 54.33 3hpn s PHE 81 Cb 0.22 -3.40 -0.10 0.00 0.51 0.00 0.00 43.02 40.25 3hpn s PHE 81 CO 0.26 -0.94 -0.52 -2.30 0.70 0.00 0.00 175.22 172.42 3hpn n PRO 82 N 4.29 -0.07 0.00 0.24 -0.02 -1.26 -2.99 135.00 135.19 3hpn n PRO 82 Ca 0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hpn n PRO 82 Cb 0.41 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3hpn n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hpn n GLY 83 N 3.01 1.24 0.00 -1.23 0.00 -1.26 -4.57 105.19 102.39 3hpn n GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hpn n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpn n GLY 84 N -0.78 -1.31 3.56 -0.02 0.00 -1.16 -5.04 105.19 100.44 3hpn n GLY 84 Ca 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 3hpn n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpn n ALA 85 N 0.00 -2.64 0.31 4.61 0.00 -1.26 -4.87 120.51 116.66 3hpn n ALA 85 Ca 0.00 -0.20 0.16 0.00 0.00 0.00 0.00 53.44 53.40 3hpn n ALA 85 Cb 0.00 -1.97 0.67 0.00 0.00 0.00 0.00 19.45 18.16 3hpn n ALA 85 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hpn h SER 86 N -0.61 0.00 -0.49 0.00 4.64 -1.95 -2.94 113.55 112.20 3hpn h SER 86 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hpn h SER 86 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3hpn h SER 86 CO 0.39 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.81 3hpn n SER 87 N -2.83 3.58 -4.77 4.97 3.41 -1.26 -4.95 113.62 111.77 3hpn n SER 87 Ca 0.01 -1.99 -0.39 0.00 -0.26 0.00 0.00 58.87 56.24 3hpn n SER 87 Cb 0.26 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3hpn n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hpn s LYS 89 N -2.08 1.49 -0.14 0.00 -0.14 -0.37 -4.95 119.74 113.55 3hpn s LYS 89 Ca 0.54 -1.60 0.17 0.00 -1.36 0.00 0.00 55.97 53.72 3hpn s LYS 89 Cb -0.32 -1.58 0.38 0.00 -1.68 0.00 0.00 37.83 34.63 3hpn s LYS 89 CO 0.41 0.31 1.26 0.39 -0.76 0.00 0.00 175.35 176.96 3hpn n GLU 90 N -0.16 2.06 -4.33 1.68 1.02 -1.26 -3.98 120.64 115.66 3hpn n GLU 90 Ca -0.09 -2.64 -0.17 0.00 -0.02 0.00 0.00 57.16 54.24 3hpn n GLU 90 Cb 0.58 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 3hpn n GLU 90 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hpn s THR 91 N -2.74 1.11 0.14 2.62 -4.23 -1.26 -4.34 115.64 106.94 3hpn s THR 91 Ca 0.35 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 3hpn s THR 91 Cb 0.29 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 3hpn s THR 91 CO 0.06 -0.35 0.06 0.72 -0.54 0.00 0.00 174.62 174.56 3hpn s PHE 92 N -3.37 0.93 -0.05 3.99 -0.12 -0.79 -4.53 117.98 114.03 3hpn s PHE 92 Ca 0.28 -1.24 0.00 0.00 -0.05 0.00 0.00 56.93 55.92 3hpn s PHE 92 Cb 0.05 -0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 41.90 3hpn s PHE 92 CO 0.08 -0.52 -0.02 -0.80 -0.05 0.00 0.00 175.22 173.92 3hpn s ASN 93 N -3.07 5.01 -0.17 1.98 0.01 -0.52 0.21 114.94 118.39 3hpn s ASN 93 Ca 0.26 0.03 -0.05 0.00 -0.71 0.00 0.00 52.86 52.39 3hpn s ASN 93 Cb 0.07 -1.32 -0.03 0.00 0.41 0.00 0.00 41.25 40.38 3hpn s ASN 93 CO 0.03 0.33 0.01 -0.22 -1.51 0.00 0.00 177.10 175.75 3hpn s LEU 94 N -1.13 3.47 0.26 0.60 2.96 -0.75 -1.67 118.68 122.42 3hpn s LEU 94 Ca 0.15 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3hpn s LEU 94 Cb -0.11 -1.86 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 3hpn s LEU 94 CO 0.05 0.15 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.90 3hpn s TYR 95 N 0.48 1.74 0.14 5.38 1.51 -0.06 -0.21 117.35 126.33 3hpn s TYR 95 Ca -0.00 -0.84 -0.14 0.00 -1.01 0.00 0.00 57.07 55.08 3hpn s TYR 95 Cb -0.14 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 3hpn s TYR 95 CO 0.02 0.09 0.37 1.52 -1.11 0.00 0.00 175.55 176.44 3hpn s TYR 96 N -3.25 -0.00 -0.09 2.71 -0.85 -0.32 -0.90 117.35 114.65 3hpn s TYR 96 Ca 0.29 -0.35 -0.06 0.00 -0.52 0.00 0.00 57.07 56.43 3hpn s TYR 96 Cb 0.05 0.17 0.03 0.00 0.38 0.00 0.00 41.96 42.60 3hpn s TYR 96 CO 0.10 -0.73 0.22 0.00 -1.52 0.00 0.00 175.55 173.63 3hpn s ALA 97 N -3.86 -0.51 0.21 9.51 0.00 -0.74 -0.09 121.76 126.27 3hpn s ALA 97 Ca 0.07 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 3hpn s ALA 97 Cb 0.02 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 3hpn s ALA 97 CO -0.07 -0.15 0.50 -1.21 0.00 0.00 0.00 175.76 174.82 3hpn s GLU 98 N 0.78 3.74 0.20 0.00 2.02 -1.26 -0.50 118.70 123.67 3hpn s GLU 98 Ca -0.05 0.15 -0.23 0.00 0.02 0.00 0.00 54.97 54.86 3hpn s GLU 98 Cb -0.07 -2.71 0.05 0.00 0.10 0.00 0.00 34.13 31.51 3hpn s GLU 98 CO -0.05 0.36 0.66 -1.54 0.02 0.00 0.00 175.26 174.71 3hpn s SER 99 N -2.42 -0.44 0.00 -0.19 1.04 -0.49 -4.96 113.70 106.24 3hpn s SER 99 Ca 0.45 -0.23 0.26 0.00 0.48 0.00 0.00 55.95 56.91 3hpn s SER 99 Cb -0.11 0.64 0.59 0.00 0.10 0.00 0.00 66.02 67.23 3hpn s SER 99 CO 0.23 -1.09 1.46 0.47 0.98 0.00 0.00 173.24 175.29 3hpn n ASP 100 N -0.41 1.47 -3.95 7.02 8.00 -1.26 -1.00 116.55 126.42 3hpn n ASP 100 Ca -0.12 -1.21 -0.09 0.00 0.71 0.00 0.00 54.79 54.08 3hpn n ASP 100 Cb 0.63 0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.81 3hpn n ASP 100 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3hpn s LEU 101 N -2.38 1.94 -0.11 0.64 2.34 -1.26 -4.73 118.68 115.12 3hpn s LEU 101 Ca 0.25 -0.51 -0.30 0.00 0.06 0.00 0.00 54.13 53.64 3hpn s LEU 101 Cb 0.19 0.45 -0.03 0.00 -0.56 0.00 0.00 46.19 46.24 3hpn s LEU 101 CO 0.49 -0.44 1.33 -0.62 -1.06 0.00 0.00 176.35 176.05 3hpn s ASP 102 N -1.89 6.91 0.18 1.48 -1.08 -1.26 -4.92 116.67 116.08 3hpn s ASP 102 Ca -0.09 1.85 0.24 0.00 -0.52 0.00 0.00 52.55 54.03 3hpn s ASP 102 Cb -0.04 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.78 3hpn s ASP 102 CO -0.03 -0.75 1.72 -1.22 0.52 0.00 0.00 175.17 175.41 3hpn n TYR 103 N 6.26 0.63 0.00 -5.34 4.01 -1.26 -5.00 117.16 116.45 3hpn n TYR 103 Ca 0.14 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 3hpn n TYR 103 Cb 0.45 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 3hpn n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hpn n GLY 104 N 0.56 3.24 0.60 2.72 0.00 -1.26 -2.40 105.19 108.65 3hpn n GLY 104 Ca 0.04 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3hpn n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hpn n THR 105 N 0.00 0.00 -2.55 2.61 -2.24 -1.26 -4.73 114.28 106.11 3hpn n THR 105 Ca 0.00 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 3hpn n THR 105 Cb 0.00 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 3hpn n THR 105 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hpn s ASN 106 N -2.07 6.46 -0.12 3.42 3.04 -1.01 -4.97 114.94 119.70 3hpn s ASN 106 Ca 0.33 -1.38 -0.12 0.00 0.04 0.00 0.00 52.86 51.72 3hpn s ASN 106 Cb 0.20 -2.57 -0.05 0.00 -1.54 0.00 0.00 41.25 37.30 3hpn s ASN 106 CO 0.35 -1.54 0.28 0.12 -3.04 0.00 0.00 177.10 173.27 3hpn s PHE 107 N 5.08 3.55 -0.17 0.43 5.36 -1.26 -4.84 117.98 126.13 3hpn s PHE 107 Ca 0.46 0.67 -0.01 0.00 -0.96 0.00 0.00 56.93 57.08 3hpn s PHE 107 Cb -0.01 -2.24 0.05 0.00 -0.34 0.00 0.00 43.02 40.48 3hpn s PHE 107 CO -0.08 0.44 -0.02 -0.65 -1.46 0.00 0.00 175.22 173.44 3hpn s GLN 108 N -0.21 1.17 0.30 10.12 -1.52 -1.26 -5.02 119.66 123.24 3hpn s GLN 108 Ca 0.18 -0.50 0.04 0.00 -1.95 0.00 0.00 55.36 53.13 3hpn s GLN 108 Cb -0.14 -2.02 0.79 0.00 -0.22 0.00 0.00 33.01 31.43 3hpn s GLN 108 CO 0.06 -0.50 1.49 1.63 -0.25 0.00 0.00 175.29 177.72 3hpn n LYS 109 N 4.92 -0.07 0.14 2.91 5.02 -1.26 -1.73 118.16 128.09 3hpn n LYS 109 Ca -0.11 1.41 0.12 0.00 -2.02 0.00 0.00 58.31 57.72 3hpn n LYS 109 Cb 0.47 -2.28 0.50 0.00 -0.02 0.00 0.00 35.03 33.70 3hpn n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hpn h ARG 110 N 0.00 0.00 -0.00 1.97 3.08 -2.03 -1.55 114.38 115.85 3hpn h ARG 110 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.66 3hpn h ARG 110 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3hpn h ARG 110 CO -0.88 0.00 -0.19 1.28 -1.07 0.00 0.00 179.97 179.12 3hpn n LEU 111 N -2.30 0.62 -4.88 3.04 4.77 -0.70 -4.88 117.00 112.67 3hpn n LEU 111 Ca 0.02 -0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.60 3hpn n LEU 111 Cb 0.25 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3hpn n LEU 111 CO 0.21 0.12 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.85 3hpn s PHE 112 N -2.56 3.54 -0.12 -1.77 0.40 -0.59 -4.66 117.98 112.22 3hpn s PHE 112 Ca 0.25 0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.95 3hpn s PHE 112 Cb 0.19 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 3hpn s PHE 112 CO 0.51 0.67 0.02 0.99 0.70 0.00 0.00 175.22 178.12 3hpn s THR 113 N -1.17 4.49 0.14 0.64 2.01 0.88 -4.89 115.64 117.73 3hpn s THR 113 Ca 0.21 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 3hpn s THR 113 Cb -0.12 -2.94 -0.07 0.00 0.01 0.00 0.00 72.50 69.38 3hpn s THR 113 CO 0.11 0.56 1.24 -0.75 -0.69 0.00 0.00 174.62 175.09 3hpn s LYS 114 N -0.43 4.44 -0.19 4.92 2.20 -1.26 -1.17 119.74 128.24 3hpn s LYS 114 Ca 0.08 1.89 -0.17 0.00 -0.36 0.00 0.00 55.97 57.42 3hpn s LYS 114 Cb -0.12 -3.27 -0.13 0.00 -1.51 0.00 0.00 37.83 32.80 3hpn s LYS 114 CO 0.02 -0.21 0.01 -0.89 -0.36 0.00 0.00 175.35 173.92 3hpn n ILE 115 N 3.15 1.50 -3.56 5.43 5.41 0.70 -4.95 119.36 127.04 3hpn n ILE 115 Ca 0.07 0.02 -0.09 0.00 1.00 0.00 0.00 62.75 63.75 3hpn n ILE 115 Cb 0.45 -2.15 -0.04 0.00 -0.71 0.00 0.00 39.64 37.19 3hpn n ILE 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hpn s ASP 116 N -6.53 -0.33 0.05 4.38 3.68 -1.20 -5.03 116.67 111.69 3hpn s ASP 116 Ca -0.25 0.24 -0.31 0.00 2.13 0.00 0.00 52.55 54.36 3hpn s ASP 116 Cb 0.05 0.30 -0.07 0.00 -1.45 0.00 0.00 42.92 41.76 3hpn s ASP 116 CO 0.46 -0.40 1.40 -0.89 0.13 0.00 0.00 175.17 175.87 3hpn s THR 117 N -1.79 3.53 -0.23 1.71 2.01 -1.26 -1.81 115.64 117.80 3hpn s THR 117 Ca 0.02 1.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.90 3hpn s THR 117 Cb -0.01 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 3hpn s THR 117 CO -0.02 0.03 0.26 -0.63 -0.69 0.00 0.00 174.62 173.57 3hpn s ILE 118 N 1.86 5.29 -0.03 1.82 -1.09 0.13 -4.97 121.20 124.21 3hpn s ILE 118 Ca 0.65 0.39 0.03 0.00 -2.23 0.00 0.00 60.65 59.48 3hpn s ILE 118 Cb -0.34 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 3hpn s ILE 118 CO 0.28 0.29 -0.10 0.00 -1.23 0.00 0.00 174.94 174.18 3hpn s ALA 119 N 1.28 1.00 0.15 9.38 0.00 -1.26 -1.89 121.76 130.42 3hpn s ALA 119 Ca 0.12 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 3hpn s ALA 119 Cb -0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 3hpn s ALA 119 CO 0.07 0.15 1.11 -1.25 0.00 0.00 0.00 175.76 175.84 3hpn s PRO 120 N 0.25 4.57 0.36 0.00 0.04 -1.26 -4.92 135.00 134.04 3hpn s PRO 120 Ca -0.05 1.71 0.10 0.00 0.04 0.00 0.00 61.00 62.80 3hpn s PRO 120 Cb -0.10 -3.30 0.70 0.00 0.04 0.00 0.00 34.50 31.84 3hpn s PRO 120 CO 0.01 0.02 1.84 -0.44 0.04 0.00 0.00 177.00 178.47 3hpn h ASP 121 N 5.43 0.14 -3.32 6.66 3.45 -1.98 -3.42 116.42 123.39 3hpn h ASP 121 Ca -0.44 -0.04 -0.54 0.00 0.43 0.00 0.00 57.03 56.44 3hpn h ASP 121 Cb 1.21 -0.04 -0.40 0.00 -0.56 0.00 0.00 39.33 39.55 3hpn h ASP 121 CO 0.74 0.43 -0.77 -1.61 -1.57 0.00 0.00 179.24 176.46 3hpn s GLU 122 N -4.41 0.81 0.47 3.56 0.41 -1.26 -5.13 118.70 113.15 3hpn s GLU 122 Ca -0.04 -0.57 -0.19 0.00 -0.41 0.00 0.00 54.97 53.76 3hpn s GLU 122 Cb 0.15 -2.17 -0.09 0.00 -1.78 0.00 0.00 34.13 30.23 3hpn s GLU 122 CO 0.74 -0.67 0.98 0.42 -0.49 0.00 0.00 175.26 176.24 3hpn s ILE 123 N 1.77 4.33 -0.37 -1.63 1.09 -1.26 -4.62 121.20 120.50 3hpn s ILE 123 Ca -0.01 1.32 -0.16 0.00 -1.10 0.00 0.00 60.65 60.71 3hpn s ILE 123 Cb -0.17 -3.61 0.00 0.00 -1.06 0.00 0.00 42.46 37.62 3hpn s ILE 123 CO -0.09 -0.44 0.38 -0.89 -0.10 0.00 0.00 174.94 173.80 3hpn s THR 124 N -2.31 5.15 0.66 2.92 2.01 0.18 -4.82 115.64 119.42 3hpn s THR 124 Ca 0.62 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.38 3hpn s THR 124 Cb -0.11 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 3hpn s THR 124 CO 0.21 -0.22 1.04 0.68 -0.69 0.00 0.00 174.62 175.64 3hpn s VAL 125 N 2.03 3.88 0.31 3.82 -7.23 -1.26 -1.48 120.40 120.47 3hpn s VAL 125 Ca 0.11 0.50 0.05 0.00 -1.81 0.00 0.00 61.98 60.83 3hpn s VAL 125 Cb -0.17 -3.59 0.34 0.00 0.56 0.00 0.00 36.38 33.53 3hpn s VAL 125 CO 0.12 -0.74 1.62 -1.28 -0.31 0.00 0.00 175.10 174.51 3hpn h SER 126 N -0.46 -0.04 1.39 4.85 0.87 -1.93 -0.90 113.55 117.32 3hpn h SER 126 Ca -0.45 0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 3hpn h SER 126 Cb 1.24 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 63.50 3hpn h SER 126 CO 0.63 -0.24 -0.31 0.77 -0.53 0.00 0.00 176.83 177.15 3hpn h SER 127 N 0.14 0.00 -0.84 6.23 4.64 -2.02 -3.27 113.55 118.43 3hpn h SER 127 Ca 0.62 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 62.09 3hpn h SER 127 Cb 1.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.36 3hpn h SER 127 CO -0.73 0.31 0.55 0.44 -0.87 0.00 0.00 176.83 176.53 3hpn h ASP 128 N 0.00 0.54 -0.42 4.97 3.45 -1.48 -1.11 116.42 122.37 3hpn h ASP 128 Ca -0.00 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.45 3hpn h ASP 128 Cb 1.09 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 3hpn h ASP 128 CO 0.04 0.27 0.11 -0.26 -1.57 0.00 0.00 179.24 177.83 3hpn h PHE 129 N 0.57 0.69 0.00 4.55 -1.00 -1.65 0.13 116.94 120.22 3hpn h PHE 129 Ca 0.42 -0.08 -0.12 0.00 2.81 0.00 0.00 57.97 61.00 3hpn h PHE 129 Cb 0.81 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 3hpn h PHE 129 CO -0.00 0.65 -0.59 0.93 -1.61 0.00 0.00 178.31 177.69 3hpn h GLU 130 N 0.53 0.00 0.00 1.51 5.08 -1.71 -2.88 114.58 117.11 3hpn h GLU 130 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hpn h GLU 130 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hpn h GLU 130 CO -0.00 0.59 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 3hpn n ALA 131 N -2.30 2.33 -3.70 3.43 0.00 -0.44 -4.89 120.51 114.93 3hpn n ALA 131 Ca 0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 3hpn n ALA 131 Cb 0.69 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.77 3hpn n ALA 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hpn n ARG 132 N -1.24 -6.78 -2.40 0.00 5.12 -0.23 -4.88 116.66 106.24 3hpn n ARG 132 Ca 0.14 0.73 -0.20 0.00 -1.93 0.00 0.00 57.85 56.59 3hpn n ARG 132 Cb 0.19 -5.69 0.02 0.00 -1.16 0.00 0.00 32.46 25.81 3hpn n ARG 132 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 3hpn n HIS 133 N -4.76 2.60 -2.22 -1.55 -0.00 0.28 -5.04 115.22 104.53 3hpn n HIS 133 Ca -0.03 -2.66 -0.41 0.00 0.46 0.00 0.00 57.72 55.08 3hpn n HIS 133 Cb 0.57 -0.23 -0.03 0.00 -0.12 0.00 0.00 29.99 30.18 3hpn n HIS 133 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3hpn s VAL 134 N -4.66 3.04 -0.38 3.57 1.01 -1.25 -4.82 120.40 116.91 3hpn s VAL 134 Ca 0.43 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 3hpn s VAL 134 Cb 0.40 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3hpn s VAL 134 CO -0.06 0.19 0.36 -0.54 0.00 0.00 0.00 175.10 175.05 3hpn s LYS 135 N -1.02 3.31 -0.22 2.72 1.02 -1.26 -5.03 119.74 119.25 3hpn s LYS 135 Ca 0.51 -0.65 -0.20 0.00 0.02 0.00 0.00 55.97 55.65 3hpn s LYS 135 Cb -0.37 -3.89 -0.02 0.00 -0.52 0.00 0.00 37.83 33.03 3hpn s LYS 135 CO 0.45 -0.65 0.61 -1.17 -0.92 0.00 0.00 175.35 173.66 3hpn s LEU 136 N 1.96 4.11 0.00 3.17 2.96 -1.26 -4.46 118.68 125.17 3hpn s LEU 136 Ca 0.10 0.76 -0.05 0.00 -0.22 0.00 0.00 54.13 54.72 3hpn s LEU 136 Cb -0.17 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 3hpn s LEU 136 CO 0.12 -0.30 0.23 0.20 -1.32 0.00 0.00 176.35 175.29 3hpn s ASN 137 N 1.30 6.44 -0.12 3.68 0.01 0.22 -4.94 114.94 121.52 3hpn s ASN 137 Ca 0.27 0.47 0.03 0.00 -0.71 0.00 0.00 52.86 52.92 3hpn s ASN 137 Cb -0.16 -2.05 0.01 0.00 0.41 0.00 0.00 41.25 39.46 3hpn s ASN 137 CO 0.10 0.25 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.04 3hpn s VAL 138 N -1.32 1.93 -0.03 1.60 1.01 -1.26 -1.88 120.40 120.45 3hpn s VAL 138 Ca 0.28 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3hpn s VAL 138 Cb -0.13 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.56 3hpn s VAL 138 CO 0.17 0.53 -0.07 -1.61 0.00 0.00 0.00 175.10 174.12 3hpn s GLU 139 N 0.71 0.87 -0.05 2.72 0.41 -0.26 -4.99 118.70 118.12 3hpn s GLU 139 Ca -0.10 -0.20 0.06 0.00 -0.41 0.00 0.00 54.97 54.32 3hpn s GLU 139 Cb -0.16 -0.83 -0.02 0.00 -1.78 0.00 0.00 34.13 31.34 3hpn s GLU 139 CO 0.01 0.02 -0.23 -2.00 -0.49 0.00 0.00 175.26 172.57 3hpn s GLU 140 N 0.52 2.43 0.27 1.61 2.12 -1.26 -0.67 118.70 123.72 3hpn s GLU 140 Ca -0.07 -0.88 0.05 0.00 0.36 0.00 0.00 54.97 54.43 3hpn s GLU 140 Cb -0.11 -2.17 -0.06 0.00 0.26 0.00 0.00 34.13 32.05 3hpn s GLU 140 CO 0.01 0.46 -0.02 1.03 -0.54 0.00 0.00 175.26 176.20 3hpn s ARG 141 N -0.36 1.49 0.06 4.30 1.81 -0.31 -4.98 118.95 120.96 3hpn s ARG 141 Ca 0.03 -1.77 0.02 0.00 -1.72 0.00 0.00 55.73 52.29 3hpn s ARG 141 Cb -0.12 -0.90 -0.03 0.00 -0.45 0.00 0.00 34.95 33.45 3hpn s ARG 141 CO 0.02 -0.05 -0.07 -1.54 -0.68 0.00 0.00 175.30 172.97 3hpn s SER 142 N -3.40 0.98 0.03 0.23 1.04 -1.26 -0.02 113.70 111.30 3hpn s SER 142 Ca 0.30 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.01 3hpn s SER 142 Cb 0.05 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 3hpn s SER 142 CO 0.11 -0.31 -0.05 -0.69 0.98 0.00 0.00 173.24 173.28 3hpn s VAL 143 N -2.30 0.32 0.00 5.02 1.01 -0.76 -5.00 120.40 118.69 3hpn s VAL 143 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3hpn s VAL 143 Cb -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3hpn s VAL 143 CO -0.02 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.30 3hpn n GLY 144 N 1.68 2.44 3.73 4.51 0.00 -1.26 -1.43 105.19 114.87 3hpn n GLY 144 Ca -0.22 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 3hpn n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hpn s PRO 145 N -2.02 4.73 0.35 1.61 0.04 -1.26 -5.03 135.00 133.42 3hpn s PRO 145 Ca 0.00 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 3hpn s PRO 145 Cb 0.00 -3.34 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 3hpn s PRO 145 CO 0.00 0.28 0.92 -0.51 0.04 0.00 0.00 177.00 177.73 3hpn s LEU 146 N -0.34 4.18 0.00 -3.56 1.43 0.68 -4.99 118.68 116.08 3hpn s LEU 146 Ca 0.46 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3hpn s LEU 146 Cb -0.24 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 41.81 3hpn s LEU 146 CO 0.31 -0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.07 3hpn n THR 147 N 0.10 0.00 -2.24 5.49 -2.24 -1.26 -4.67 114.28 109.46 3hpn n THR 147 Ca 0.03 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 3hpn n THR 147 Cb 0.52 0.29 0.15 0.00 -2.10 0.00 0.00 70.33 69.19 3hpn n THR 147 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hpn s ARG 148 N -0.48 1.08 0.19 -0.78 1.81 -1.26 -4.98 118.95 114.53 3hpn s ARG 148 Ca 0.00 -0.77 -0.04 0.00 -1.72 0.00 0.00 55.73 53.20 3hpn s ARG 148 Cb 0.00 -2.07 0.12 0.00 -0.45 0.00 0.00 34.95 32.55 3hpn s ARG 148 CO 0.00 -1.99 1.53 -0.22 -0.68 0.00 0.00 175.30 173.94 3hpn h LYS 149 N -1.14 0.63 0.00 3.54 3.64 -1.83 -3.41 116.57 118.00 3hpn h LYS 149 Ca -0.40 -0.36 -0.22 0.00 -1.27 0.00 0.00 60.65 58.40 3hpn h LYS 149 Cb 1.25 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 3hpn h LYS 149 CO 0.38 0.97 -0.13 0.41 -2.27 0.00 0.00 179.45 178.81 3hpn n GLY 150 N 0.14 2.46 3.54 5.01 0.00 -0.17 -0.47 105.19 115.69 3hpn n GLY 150 Ca -0.02 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 3hpn n GLY 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hpn s PHE 151 N -3.44 -0.41 0.08 1.61 -0.12 0.50 -1.39 117.98 114.80 3hpn s PHE 151 Ca 0.22 0.13 0.06 0.00 -0.05 0.00 0.00 56.93 57.29 3hpn s PHE 151 Cb -0.01 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 3hpn s PHE 151 CO 0.16 -0.95 -0.17 0.71 -0.05 0.00 0.00 175.22 174.92 3hpn s TYR 152 N -3.80 1.45 0.04 3.49 1.51 0.35 -0.66 117.35 119.72 3hpn s TYR 152 Ca 0.04 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 3hpn s TYR 152 Cb -0.02 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 3hpn s TYR 152 CO -0.07 0.11 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.84 3hpn s LEU 153 N -1.73 2.85 0.04 -1.29 1.02 -1.26 -1.79 118.68 116.52 3hpn s LEU 153 Ca 0.02 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 53.84 3hpn s LEU 153 Cb -0.10 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 3hpn s LEU 153 CO 0.03 0.25 -0.05 0.00 0.02 0.00 0.00 176.35 176.59 3hpn s ALA 154 N -1.00 0.45 -0.13 4.21 0.00 -0.08 -1.55 121.76 123.67 3hpn s ALA 154 Ca 0.16 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3hpn s ALA 154 Cb -0.11 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3hpn s ALA 154 CO 0.07 -0.14 -0.15 -0.06 0.00 0.00 0.00 175.76 175.49 3hpn s PHE 155 N -1.97 2.12 -0.27 0.00 0.40 0.27 -0.88 117.98 117.64 3hpn s PHE 155 Ca -0.08 -1.09 -0.11 0.00 -0.60 0.00 0.00 56.93 55.06 3hpn s PHE 155 Cb -0.06 -1.53 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 3hpn s PHE 155 CO -0.02 -0.57 0.17 -1.14 0.70 0.00 0.00 175.22 174.36 3hpn s GLN 156 N 1.19 3.92 -0.16 0.44 0.74 -0.67 -0.26 119.66 124.86 3hpn s GLN 156 Ca -0.02 -0.34 -0.17 0.00 0.05 0.00 0.00 55.36 54.88 3hpn s GLN 156 Cb -0.14 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 3hpn s GLN 156 CO -0.06 -0.16 0.46 0.34 -0.55 0.00 0.00 175.29 175.32 3hpn s ASP 157 N 1.69 6.58 0.00 6.67 3.68 0.23 -1.44 116.67 134.09 3hpn s ASP 157 Ca 0.07 0.70 0.18 0.00 2.13 0.00 0.00 52.55 55.63 3hpn s ASP 157 Cb -0.16 -2.27 0.32 0.00 -1.45 0.00 0.00 42.92 39.37 3hpn s ASP 157 CO 0.10 -0.05 1.25 2.30 0.13 0.00 0.00 175.17 178.89 3hpn n ILE 158 N 4.03 0.49 0.00 4.11 -5.35 -1.26 -0.61 119.36 120.77 3hpn n ILE 158 Ca -0.07 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 3hpn n ILE 158 Cb 0.51 0.95 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3hpn n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hpn n GLY 159 N 1.11 1.41 3.98 3.28 0.00 -1.26 -4.16 105.19 109.55 3hpn n GLY 159 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 3hpn n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpn s ALA 160 N -1.41 4.06 -0.64 4.61 0.00 -1.26 -1.23 121.76 125.89 3hpn s ALA 160 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 3hpn s ALA 160 Cb 0.00 -1.95 0.17 0.00 0.00 0.00 0.00 23.12 21.34 3hpn s ALA 160 CO 0.00 -0.67 0.53 0.00 0.00 0.00 0.00 175.76 175.62 3hpn s VAL 162 N 0.58 2.22 -0.25 0.00 1.01 -0.30 -1.18 120.40 122.49 3hpn s VAL 162 Ca 0.13 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 3hpn s VAL 162 Cb -0.19 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.40 3hpn s VAL 162 CO -0.04 0.57 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 3hpn s ALA 163 N -0.34 2.72 -0.43 5.51 0.00 -0.15 -1.94 121.76 127.14 3hpn s ALA 163 Ca 0.02 -1.49 -0.19 0.00 0.00 0.00 0.00 51.96 50.31 3hpn s ALA 163 Cb -0.12 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.30 3hpn s ALA 163 CO 0.02 -0.85 0.51 -1.17 0.00 0.00 0.00 175.76 174.27 3hpn s LEU 164 N 1.32 4.74 -0.02 0.00 2.96 0.16 -0.98 118.68 126.86 3hpn s LEU 164 Ca -0.00 -0.56 0.21 0.00 -0.22 0.00 0.00 54.13 53.56 3hpn s LEU 164 Cb -0.17 -2.51 -0.30 0.00 0.50 0.00 0.00 46.19 43.72 3hpn s LEU 164 CO -0.04 -0.65 0.56 0.18 -1.32 0.00 0.00 176.35 175.08 3hpn n LEU 165 N 5.84 0.25 -3.64 -0.68 7.99 0.68 -1.36 117.00 126.08 3hpn n LEU 165 Ca -0.05 -0.13 -0.12 0.00 -0.01 0.00 0.00 56.01 55.70 3hpn n LEU 165 Cb 0.48 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.71 3hpn n LEU 165 CO 0.49 0.06 0.37 -0.55 -1.51 0.00 0.00 177.39 176.25 3hpn s SER 166 N -4.01 -0.79 -0.14 -1.43 0.15 -0.90 -4.62 113.70 101.96 3hpn s SER 166 Ca -0.04 1.42 -0.04 0.00 0.70 0.00 0.00 55.95 57.99 3hpn s SER 166 Cb 0.14 1.39 0.05 0.00 -1.71 0.00 0.00 66.02 65.90 3hpn s SER 166 CO 0.86 -0.24 0.08 -0.69 1.20 0.00 0.00 173.24 174.45 3hpn s VAL 167 N 0.78 -0.08 -0.10 4.45 1.01 -1.26 -1.18 120.40 124.02 3hpn s VAL 167 Ca -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3hpn s VAL 167 Cb -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3hpn s VAL 167 CO -0.06 -0.19 -0.12 -0.60 0.00 0.00 0.00 175.10 174.14 3hpn s ARG 168 N 2.14 1.86 -0.16 2.72 3.52 0.02 -0.87 118.95 128.19 3hpn s ARG 168 Ca 0.03 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 3hpn s ARG 168 Cb -0.15 -1.68 0.02 0.00 -1.56 0.00 0.00 34.95 31.57 3hpn s ARG 168 CO -0.08 -0.12 -0.17 0.08 -0.81 0.00 0.00 175.30 174.20 3hpn s VAL 169 N 1.18 1.81 0.19 7.11 1.01 0.34 0.25 120.40 132.30 3hpn s VAL 169 Ca -0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3hpn s VAL 169 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3hpn s VAL 169 CO -0.03 0.50 0.15 -0.72 0.00 0.00 0.00 175.10 174.99 3hpn s TYR 170 N 1.34 0.99 0.23 5.22 -0.85 0.39 -0.16 117.35 124.51 3hpn s TYR 170 Ca 0.04 -1.27 0.02 0.00 -0.52 0.00 0.00 57.07 55.34 3hpn s TYR 170 Cb -0.13 -0.46 -0.05 0.00 0.38 0.00 0.00 41.96 41.70 3hpn s TYR 170 CO -0.11 -0.64 0.05 1.52 -1.52 0.00 0.00 175.55 174.85 3hpn s TYR 171 N -4.11 1.48 -0.27 -3.49 -0.85 -0.51 0.10 117.35 109.70 3hpn s TYR 171 Ca 0.33 -1.08 -0.11 0.00 -0.52 0.00 0.00 57.07 55.70 3hpn s TYR 171 Cb 0.06 -0.87 -0.05 0.00 0.38 0.00 0.00 41.96 41.49 3hpn s TYR 171 CO 0.09 -0.23 0.17 0.15 -1.52 0.00 0.00 175.55 174.22 3hpn s LYS 172 N -3.96 3.96 -0.10 -3.49 1.02 -1.26 -1.54 119.74 114.37 3hpn s LYS 172 Ca 0.32 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.02 3hpn s LYS 172 Cb 0.07 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 3hpn s LYS 172 CO 0.10 -0.12 -0.16 0.21 -0.92 0.00 0.00 175.35 174.47 3hpn s LYS 173 N 1.56 2.23 0.00 1.68 2.20 -1.26 -5.01 119.74 121.14 3hpn s LYS 173 Ca 0.07 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 3hpn s LYS 173 Cb -0.15 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.31 3hpn s LYS 173 CO 0.09 -0.02 0.00 0.00 -0.36 0.00 0.00 175.35 175.06