#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdm s GLN 14 N 0.00 3.77 -0.14 1.96 -0.21 -1.26 -5.06 119.66 118.72 1hdm s GLN 14 Ca 0.00 0.98 -0.06 0.00 0.02 0.00 0.00 55.36 56.30 1hdm s GLN 14 Cb 0.00 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 1hdm s GLN 14 CO 0.00 -0.42 0.06 -0.80 -2.12 0.00 0.00 175.29 172.01 1hdm s ASN 15 N -3.15 5.65 0.19 5.90 0.01 -1.26 -5.10 114.94 117.18 1hdm s ASN 15 Ca 0.59 0.17 0.11 0.00 -0.71 0.00 0.00 52.86 53.02 1hdm s ASN 15 Cb -0.11 -1.85 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 1hdm s ASN 15 CO 0.35 0.27 -0.22 -1.00 -1.51 0.00 0.00 177.10 174.99 1hdm s HIS 16 N -0.22 2.16 -0.06 2.20 3.76 -1.26 -5.14 115.29 116.73 1hdm s HIS 16 Ca 0.08 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 1hdm s HIS 16 Cb -0.12 -1.07 -0.03 0.00 1.11 0.00 0.00 32.58 32.48 1hdm s HIS 16 CO 0.01 0.46 -0.13 0.95 -0.85 0.00 0.00 174.74 175.18 1hdm s THR 17 N -1.80 3.13 -0.23 1.30 -4.23 -1.26 -4.99 115.64 107.55 1hdm s THR 17 Ca 0.19 -0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1hdm s THR 17 Cb -0.07 -2.24 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 1hdm s THR 17 CO 0.09 0.59 -0.02 0.12 -0.54 0.00 0.00 174.62 174.86 1hdm s PHE 18 N -0.64 3.00 -0.15 3.99 5.36 -1.26 -0.21 117.98 128.07 1hdm s PHE 18 Ca 0.09 -0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 55.02 1hdm s PHE 18 Cb -0.11 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 1hdm s PHE 18 CO 0.01 -0.56 0.10 -1.17 -1.46 0.00 0.00 175.22 172.14 1hdm s LEU 19 N 1.47 4.10 -0.39 6.12 2.96 0.45 -4.94 118.68 128.45 1hdm s LEU 19 Ca 0.05 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1hdm s LEU 19 Cb -0.15 -2.02 0.12 0.00 0.50 0.00 0.00 46.19 44.65 1hdm s LEU 19 CO -0.02 0.28 0.19 -2.28 -1.32 0.00 0.00 176.35 173.20 1hdm s HIS 20 N -0.26 1.77 -0.40 5.38 5.65 -1.26 -1.05 115.29 125.13 1hdm s HIS 20 Ca 0.10 -2.13 -0.09 0.00 0.25 0.00 0.00 55.06 53.19 1hdm s HIS 20 Cb -0.12 -1.74 0.07 0.00 -1.18 0.00 0.00 32.58 29.61 1hdm s HIS 20 CO 0.01 -0.82 0.22 0.99 -0.65 0.00 0.00 174.74 174.50 1hdm s THR 21 N 0.83 4.14 -0.19 0.89 2.01 0.12 -4.95 115.64 118.48 1hdm s THR 21 Ca 0.15 -1.33 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 1hdm s THR 21 Cb -0.22 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1hdm s THR 21 CO -0.07 -0.43 0.42 -0.69 -0.69 0.00 0.00 174.62 173.16 1hdm s VAL 22 N 1.42 5.18 0.04 3.82 1.01 -1.26 -1.17 120.40 129.45 1hdm s VAL 22 Ca 0.02 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1hdm s VAL 22 Cb -0.22 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1hdm s VAL 22 CO 0.02 0.25 -0.03 -0.72 0.00 0.00 0.00 175.10 174.62 1hdm s TYR 23 N 1.30 0.44 0.17 5.22 -0.85 -0.45 -5.01 117.35 118.18 1hdm s TYR 23 Ca 0.20 -0.91 -0.14 0.00 -0.52 0.00 0.00 57.07 55.71 1hdm s TYR 23 Cb -0.15 -0.33 0.01 0.00 0.38 0.00 0.00 41.96 41.88 1hdm s TYR 23 CO 0.08 -0.33 0.40 0.00 -1.52 0.00 0.00 175.55 174.19 1hdm s GLN 25 N -3.90 2.17 -0.88 0.00 -2.07 0.18 -4.96 119.66 110.19 1hdm s GLN 25 Ca 0.11 -1.51 -0.18 0.00 -1.82 0.00 0.00 55.36 51.96 1hdm s GLN 25 Cb 0.01 0.59 0.15 0.00 -1.09 0.00 0.00 33.01 32.67 1hdm s GLN 25 CO -0.03 -1.00 1.03 -0.51 -1.32 0.00 0.00 175.29 173.46 1hdm s ASP 26 N -3.11 6.62 0.00 12.60 1.11 -1.26 -4.65 116.67 127.98 1hdm s ASP 26 Ca 0.19 -2.11 0.00 0.00 0.18 0.00 0.00 52.55 50.81 1hdm s ASP 26 Cb -0.04 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.59 1hdm s ASP 26 CO 0.13 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 176.11 1hdm n GLY 27 N 5.17 1.21 3.74 0.21 0.00 -1.26 -5.08 105.19 109.18 1hdm n GLY 27 Ca 0.19 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 1hdm n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hdm s SER 28 N 0.00 6.00 0.21 1.61 0.01 -1.26 -1.17 113.70 119.10 1hdm s SER 28 Ca 0.00 0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.21 1hdm s SER 28 Cb 0.00 -1.99 -0.09 0.00 0.21 0.00 0.00 66.02 64.16 1hdm s SER 28 CO 0.00 0.27 1.22 -2.84 0.41 0.00 0.00 173.24 172.29 1hdm s PRO 29 N -0.17 4.48 0.43 12.44 0.02 -1.26 -4.72 135.00 146.22 1hdm s PRO 29 Ca 0.09 1.94 0.12 0.00 0.02 0.00 0.00 61.00 63.17 1hdm s PRO 29 Cb -0.12 -3.21 0.95 0.00 0.02 0.00 0.00 34.50 32.15 1hdm s PRO 29 CO 0.01 -0.09 1.99 0.66 -0.33 0.00 0.00 177.00 179.23 1hdm h SER 30 N 4.91 0.11 -4.26 2.53 4.64 -1.41 -3.39 113.55 116.67 1hdm h SER 30 Ca -0.45 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 1hdm h SER 30 Cb 1.21 -0.03 -0.23 0.00 -0.31 0.00 0.00 62.40 63.04 1hdm h SER 30 CO 0.73 0.24 -0.34 0.54 -0.87 0.00 0.00 176.83 177.13 1hdm s VAL 31 N -4.78 0.02 0.14 0.95 0.11 -1.26 -0.65 120.40 114.94 1hdm s VAL 31 Ca -0.05 -0.19 -0.07 0.00 -2.93 0.00 0.00 61.98 58.74 1hdm s VAL 31 Cb 0.16 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 1hdm s VAL 31 CO 0.71 -0.10 0.21 -0.83 -3.33 0.00 0.00 175.10 171.76 1hdm s GLY 32 N -0.39 0.52 -0.05 6.54 0.00 0.82 -4.90 107.32 109.86 1hdm s GLY 32 Ca -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 1hdm s GLY 32 CO 0.02 -0.95 0.10 -2.27 0.00 0.00 0.00 173.10 169.99 1hdm s LEU 33 N -2.97 1.05 -0.01 0.66 2.96 -1.26 -1.34 118.68 117.78 1hdm s LEU 33 Ca 0.16 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1hdm s LEU 33 Cb 0.05 0.23 -0.01 0.00 0.50 0.00 0.00 46.19 46.96 1hdm s LEU 33 CO -0.02 -0.11 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.27 1hdm s SER 34 N 0.87 0.98 -0.03 3.68 0.15 -0.32 -1.33 113.70 117.70 1hdm s SER 34 Ca -0.07 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.47 1hdm s SER 34 Cb -0.09 -0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1hdm s SER 34 CO -0.04 0.10 -0.13 -1.61 1.20 0.00 0.00 173.24 172.76 1hdm s GLU 35 N -0.16 1.30 0.03 5.44 2.02 -0.76 0.10 118.70 126.67 1hdm s GLU 35 Ca 0.03 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1hdm s GLU 35 Cb -0.04 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.99 1hdm s GLU 35 CO -0.00 0.19 -0.04 0.00 0.02 0.00 0.00 175.26 175.43 1hdm s ALA 36 N 0.07 0.25 -0.35 5.21 0.00 -0.21 0.63 121.76 127.36 1hdm s ALA 36 Ca -0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 1hdm s ALA 36 Cb -0.09 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1hdm s ALA 36 CO 0.01 -0.15 0.14 -0.47 0.00 0.00 0.00 175.76 175.29 1hdm s TYR 37 N -1.66 3.24 0.00 0.00 5.04 0.55 -0.41 117.35 124.11 1hdm s TYR 37 Ca -0.13 -1.20 0.00 0.00 -2.44 0.00 0.00 57.07 53.31 1hdm s TYR 37 Cb -0.08 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.89 1hdm s TYR 37 CO -0.01 -0.68 0.00 -0.25 -1.34 0.00 0.00 175.55 173.26 1hdm n ASP 38 N 4.89 0.00 -0.47 4.32 8.00 0.71 -1.51 116.55 132.49 1hdm n ASP 38 Ca -0.12 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.50 1hdm n ASP 38 Cb 0.45 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.71 1hdm n ASP 38 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hdm n GLU 39 N 13.80 1.25 -3.76 -1.24 1.02 -1.26 -4.84 120.64 125.61 1hdm n GLU 39 Ca 0.00 -0.94 -0.35 0.00 -0.02 0.00 0.00 57.16 55.84 1hdm n GLU 39 Cb 0.00 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 1hdm n GLU 39 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hdm s ASP 40 N -2.40 6.24 0.30 1.62 1.01 -0.57 -5.06 116.67 117.81 1hdm s ASP 40 Ca 0.22 0.27 -0.29 0.00 0.71 0.00 0.00 52.55 53.46 1hdm s ASP 40 Cb 0.19 -2.09 -0.11 0.00 1.01 0.00 0.00 42.92 41.93 1hdm s ASP 40 CO 0.51 0.22 1.47 -1.58 0.21 0.00 0.00 175.17 176.00 1hdm s GLN 41 N 0.12 4.21 -0.18 8.23 0.74 -1.26 -0.33 119.66 131.19 1hdm s GLN 41 Ca 0.09 2.42 -0.13 0.00 0.05 0.00 0.00 55.36 57.79 1hdm s GLN 41 Cb -0.11 -3.05 -0.07 0.00 1.10 0.00 0.00 33.01 30.88 1hdm s GLN 41 CO -0.01 -0.46 -0.29 1.28 -0.55 0.00 0.00 175.29 175.26 1hdm n LEU 42 N 1.60 1.72 -4.07 3.68 4.77 0.21 -4.71 117.00 120.20 1hdm n LEU 42 Ca 0.05 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.23 1hdm n LEU 42 Cb 0.40 -0.68 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 1hdm n LEU 42 CO 0.62 0.04 -0.23 -0.36 -1.33 0.00 0.00 177.39 176.13 1hdm s PHE 43 N -2.60 0.62 -0.00 -1.77 0.08 -1.11 -0.94 117.98 112.25 1hdm s PHE 43 Ca -0.28 -1.04 0.02 0.00 0.12 0.00 0.00 56.93 55.75 1hdm s PHE 43 Cb 0.08 -0.33 -0.00 0.00 -0.57 0.00 0.00 43.02 42.19 1hdm s PHE 43 CO 0.38 -0.53 -0.06 -0.59 -0.10 0.00 0.00 175.22 174.32 1hdm s PHE 44 N -3.98 0.56 -0.24 0.36 -0.12 -0.71 -1.82 117.98 112.02 1hdm s PHE 44 Ca 0.17 -0.11 -0.19 0.00 -0.05 0.00 0.00 56.93 56.76 1hdm s PHE 44 Cb 0.06 -0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 1hdm s PHE 44 CO -0.02 -0.01 0.55 0.12 -0.05 0.00 0.00 175.22 175.81 1hdm s PHE 45 N -0.14 3.31 -0.48 3.49 5.36 -0.44 -0.95 117.98 128.12 1hdm s PHE 45 Ca 0.02 0.74 -0.23 0.00 -0.96 0.00 0.00 56.93 56.50 1hdm s PHE 45 Cb -0.02 -2.74 0.03 0.00 -0.34 0.00 0.00 43.02 39.95 1hdm s PHE 45 CO -0.00 -0.23 0.82 0.34 -1.46 0.00 0.00 175.22 174.68 1hdm s ASP 46 N 1.39 6.37 0.00 6.13 2.15 -0.03 -4.48 116.67 128.21 1hdm s ASP 46 Ca 0.24 -0.26 0.14 0.00 0.43 0.00 0.00 52.55 53.10 1hdm s ASP 46 Cb -0.16 -2.39 0.81 0.00 -0.30 0.00 0.00 42.92 40.89 1hdm s ASP 46 CO 0.09 -1.01 1.53 0.49 -0.17 0.00 0.00 175.17 176.10 1hdm n PHE 47 N 6.89 0.02 -0.10 -5.34 3.01 -1.26 -0.47 117.46 120.21 1hdm n PHE 47 Ca 0.01 -0.01 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 1hdm n PHE 47 Cb 0.48 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.88 1hdm n PHE 47 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1hdm n SER 48 N -0.63 1.89 0.11 4.37 7.64 -1.26 -4.26 113.62 121.48 1hdm n SER 48 Ca 0.11 0.43 0.13 0.00 1.01 0.00 0.00 58.87 60.55 1hdm n SER 48 Cb 0.07 -0.86 0.40 0.00 -1.01 0.00 0.00 64.21 62.81 1hdm n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hdm n GLN 49 N -4.44 0.27 -3.41 1.43 3.00 -1.24 -4.95 117.38 108.04 1hdm n GLN 49 Ca -0.28 0.23 -0.21 0.00 -0.01 0.00 0.00 57.00 56.73 1hdm n GLN 49 Cb 0.60 -1.82 0.06 0.00 0.00 0.00 0.00 30.24 29.08 1hdm n GLN 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1hdm n ASN 50 N -2.29 -5.78 -3.85 1.08 3.02 0.38 -5.02 115.26 102.81 1hdm n ASN 50 Ca 0.05 -0.81 -0.09 0.00 -0.03 0.00 0.00 54.58 53.71 1hdm n ASN 50 Cb 0.43 -4.59 -0.07 0.00 -0.61 0.00 0.00 39.78 34.94 1hdm n ASN 50 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1hdm s THR 51 N -3.43 0.11 0.12 3.41 -1.32 -0.79 -5.00 115.64 108.75 1hdm s THR 51 Ca 0.42 -1.14 -0.22 0.00 -1.21 0.00 0.00 61.69 59.54 1hdm s THR 51 Cb -0.09 -1.44 -0.07 0.00 -1.51 0.00 0.00 72.50 69.39 1hdm s THR 51 CO 0.78 -0.51 0.68 -0.13 -2.21 0.00 0.00 174.62 173.23 1hdm s ARG 52 N -3.88 4.39 -0.12 7.08 0.52 -1.23 -0.85 118.95 124.86 1hdm s ARG 52 Ca 0.08 0.96 0.02 0.00 -0.52 0.00 0.00 55.73 56.26 1hdm s ARG 52 Cb 0.04 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 1hdm s ARG 52 CO -0.08 0.60 -0.18 0.08 0.02 0.00 0.00 175.30 175.73 1hdm s VAL 53 N -1.14 2.54 0.30 3.52 1.01 -0.12 -4.81 120.40 121.70 1hdm s VAL 53 Ca 0.33 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1hdm s VAL 53 Cb -0.21 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 1hdm s VAL 53 CO 0.23 0.54 1.13 -2.16 0.00 0.00 0.00 175.10 174.84 1hdm s PRO 54 N 0.45 4.53 0.19 2.72 0.04 -1.26 -1.74 135.00 139.93 1hdm s PRO 54 Ca -0.13 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 1hdm s PRO 54 Cb -0.17 -3.10 0.12 0.00 0.04 0.00 0.00 34.50 31.40 1hdm s PRO 54 CO 0.06 0.09 1.52 -0.09 0.04 0.00 0.00 177.00 178.62 1hdm h ARG 55 N 3.59 0.57 -6.10 4.56 9.65 -1.32 -3.45 114.38 121.88 1hdm h ARG 55 Ca -0.47 -0.35 -0.55 0.00 -1.10 0.00 0.00 59.98 57.51 1hdm h ARG 55 Cb 1.22 0.03 -0.21 0.00 -1.39 0.00 0.00 29.97 29.62 1hdm h ARG 55 CO 0.66 0.95 -0.82 -0.51 2.80 0.00 0.00 179.97 183.06 1hdm s LEU 56 N -8.39 2.33 0.37 3.80 1.02 -1.26 -5.05 118.68 111.50 1hdm s LEU 56 Ca -0.07 -0.73 0.09 0.00 0.02 0.00 0.00 54.13 53.44 1hdm s LEU 56 Cb 0.11 -0.87 0.84 0.00 0.02 0.00 0.00 46.19 46.30 1hdm s LEU 56 CO 0.84 0.03 1.89 -0.65 0.02 0.00 0.00 176.35 178.48 1hdm h PRO 57 N 3.88 0.64 0.00 1.29 0.11 -2.00 -1.76 132.00 134.16 1hdm h PRO 57 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hdm h PRO 57 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1hdm h PRO 57 CO 0.42 0.43 0.00 -0.85 -0.21 0.00 0.00 178.00 177.79 1hdm n GLU 58 N -4.54 0.03 0.00 1.05 0.28 -1.26 -1.85 120.64 114.35 1hdm n GLU 58 Ca 0.16 0.38 0.10 0.00 -0.16 0.00 0.00 57.16 57.64 1hdm n GLU 58 Cb 0.45 -1.57 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 1hdm n GLU 58 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1hdm n PHE 59 N -1.63 0.01 -0.12 -1.84 0.99 -0.66 -4.44 117.46 109.77 1hdm n PHE 59 Ca 0.02 0.00 0.27 0.00 -0.00 0.00 0.00 57.45 57.74 1hdm n PHE 59 Cb 0.11 -0.05 0.68 0.00 -1.00 0.00 0.00 39.48 39.22 1hdm n PHE 59 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1hdm h ALA 60 N 2.95 2.66 0.00 4.37 0.00 -1.44 -1.11 119.26 126.70 1hdm h ALA 60 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1hdm h ALA 60 Cb 0.53 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1hdm h ALA 60 CO 0.00 -1.19 -0.15 -0.44 0.00 0.00 0.00 179.25 177.47 1hdm h ASP 61 N 0.00 0.00 -0.14 0.00 3.45 -1.80 -3.12 116.42 114.81 1hdm h ASP 61 Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.85 1hdm h ASP 61 Cb 1.91 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.68 1hdm h ASP 61 CO -0.00 0.15 0.00 0.79 -1.57 0.00 0.00 179.24 178.60 1hdm n TRP 62 N -3.50 0.41 1.65 4.55 8.01 -0.42 -4.52 117.44 123.62 1hdm n TRP 62 Ca -0.01 -0.82 0.15 0.00 -1.31 0.00 0.00 57.50 55.50 1hdm n TRP 62 Cb 0.31 -0.18 0.67 0.00 -2.01 0.00 0.00 31.31 30.10 1hdm n TRP 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1hdm n ALA 63 N -0.71 2.65 -0.86 6.99 0.00 -1.18 -3.61 120.51 123.79 1hdm n ALA 63 Ca 0.15 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.33 1hdm n ALA 63 Cb 0.65 -1.30 0.32 0.00 0.00 0.00 0.00 19.45 19.13 1hdm n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1hdm n GLN 64 N -0.36 3.78 -1.71 0.00 3.00 -1.26 -3.51 117.38 117.31 1hdm n GLN 64 Ca 0.20 -2.92 -0.42 0.00 -0.01 0.00 0.00 57.00 53.85 1hdm n GLN 64 Cb 0.26 -1.97 -0.03 0.00 0.00 0.00 0.00 30.24 28.50 1hdm n GLN 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1hdm n GLU 65 N 0.20 2.80 -0.00 -1.09 0.00 -1.24 -4.91 120.64 116.40 1hdm n GLU 65 Ca 0.24 1.01 0.05 0.00 0.00 0.00 0.00 57.16 58.46 1hdm n GLU 65 Cb 0.98 -2.88 -0.06 0.00 0.00 0.00 0.00 31.44 29.48 1hdm n GLU 65 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1hdm n GLN 66 N 4.59 2.44 0.00 5.31 -0.06 -1.26 -4.49 117.38 123.90 1hdm n GLN 66 Ca 0.17 -0.04 0.01 0.00 -2.00 0.00 0.00 57.00 55.14 1hdm n GLN 66 Cb 0.36 -1.06 0.05 0.00 -4.06 0.00 0.00 30.24 25.52 1hdm n GLN 66 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hdm n GLY 67 N 1.51 -0.61 3.45 1.69 0.00 -1.26 -5.04 105.19 104.93 1hdm n GLY 67 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1hdm n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hdm s ASP 68 N -1.44 5.73 0.00 1.61 1.01 -1.26 -5.01 116.67 117.31 1hdm s ASP 68 Ca 0.02 -0.61 0.00 0.00 0.71 0.00 0.00 52.55 52.67 1hdm s ASP 68 Cb 0.01 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.90 1hdm s ASP 68 CO 0.02 -0.25 0.00 0.00 0.21 0.00 0.00 175.17 175.14 1hdm n ALA 69 N 5.02 0.00 -0.02 5.23 0.00 -1.26 -4.49 120.51 124.99 1hdm n ALA 69 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1hdm n ALA 69 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 1hdm n ALA 69 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1hdm h ILE 70 N 0.00 1.17 -0.54 0.00 2.04 -1.98 -1.35 117.51 116.84 1hdm h ILE 70 Ca 0.00 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.43 1hdm h ILE 70 Cb 0.00 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1hdm h ILE 70 CO 0.00 0.15 0.17 0.25 0.00 0.00 0.00 178.15 178.72 1hdm h LEU 71 N -0.00 0.15 -0.08 1.44 5.85 -1.99 0.63 115.31 121.29 1hdm h LEU 71 Ca 0.04 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1hdm h LEU 71 Cb 0.21 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1hdm h LEU 71 CO -0.00 0.10 0.05 0.15 -0.34 0.00 0.00 178.44 178.40 1hdm h PHE 72 N 0.34 0.11 -0.43 1.25 3.57 -1.90 0.95 116.94 120.83 1hdm h PHE 72 Ca 0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1hdm h PHE 72 Cb 0.33 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1hdm h PHE 72 CO -0.18 0.11 0.24 -0.44 -2.23 0.00 0.00 178.31 175.81 1hdm h ASP 73 N 0.08 0.53 0.20 0.41 5.19 -0.68 -0.73 116.42 121.42 1hdm h ASP 73 Ca 0.03 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1hdm h ASP 73 Cb 0.03 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 1hdm h ASP 73 CO -0.01 0.46 -0.21 0.50 -3.12 0.00 0.00 179.24 176.86 1hdm h LYS 74 N 0.56 -0.43 -0.68 3.56 3.11 0.49 -0.76 116.57 122.42 1hdm h LYS 74 Ca 0.15 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 58.04 1hdm h LYS 74 Cb 0.04 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.33 1hdm h LYS 74 CO -0.03 -0.29 0.44 0.93 -2.81 0.00 0.00 179.45 177.70 1hdm h GLU 75 N -0.45 0.86 -0.61 1.90 5.08 -0.66 -1.95 114.58 118.75 1hdm h GLU 75 Ca 0.00 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1hdm h GLU 75 Cb 0.42 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1hdm h GLU 75 CO -0.06 0.57 0.05 0.35 -1.00 0.00 0.00 179.01 178.92 1hdm h PHE 76 N 0.89 1.12 0.01 4.33 3.57 -0.99 -0.61 116.94 125.26 1hdm h PHE 76 Ca 0.26 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1hdm h PHE 76 Cb -0.05 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1hdm h PHE 76 CO -0.03 0.97 -0.07 0.00 -2.23 0.00 0.00 178.31 176.95 1hdm h GLU 78 N -0.13 0.67 -1.00 0.00 5.08 -1.19 -2.18 114.58 115.83 1hdm h GLU 78 Ca 0.02 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1hdm h GLU 78 Cb 0.16 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1hdm h GLU 78 CO -0.06 0.67 0.65 2.35 -1.00 0.00 0.00 179.01 181.62 1hdm h TRP 79 N 0.64 1.21 -0.33 4.33 7.01 -0.76 -0.27 115.95 127.78 1hdm h TRP 79 Ca 0.13 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1hdm h TRP 79 Cb 0.37 -0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1hdm h TRP 79 CO 0.02 0.64 0.16 0.52 -2.79 0.00 0.00 178.44 177.00 1hdm h MET 80 N 1.20 0.47 -0.83 2.65 2.86 -0.79 0.54 114.93 121.03 1hdm h MET 80 Ca 0.43 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 1hdm h MET 80 Cb 0.13 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1hdm h MET 80 CO -0.16 0.43 0.48 0.82 1.06 0.00 0.00 176.91 179.53 1hdm h ILE 81 N 0.40 1.24 0.21 -1.22 1.08 -1.16 0.01 117.51 118.07 1hdm h ILE 81 Ca 0.11 -0.55 -0.33 0.00 -0.39 0.00 0.00 64.86 63.70 1hdm h ILE 81 Cb 0.11 0.09 0.02 0.00 -3.07 0.00 0.00 36.82 33.97 1hdm h ILE 81 CO -0.02 0.26 -1.54 1.56 -0.69 0.00 0.00 178.15 177.72 1hdm h GLN 82 N 1.15 0.45 0.00 2.37 7.50 -0.81 -3.39 115.11 122.38 1hdm h GLN 82 Ca 0.30 -0.77 -0.28 0.00 0.50 0.00 0.00 58.65 58.40 1hdm h GLN 82 Cb -0.01 0.29 -0.04 0.00 0.05 0.00 0.00 27.48 27.76 1hdm h GLN 82 CO -0.05 1.36 -1.51 1.04 -1.50 0.00 0.00 178.83 178.17 1hdm n GLN 83 N -3.64 0.57 -0.12 1.46 1.13 0.19 -4.53 117.38 112.44 1hdm n GLN 83 Ca -0.18 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 1hdm n GLN 83 Cb 1.09 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.74 1hdm n GLN 83 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1hdm n ILE 84 N -4.39 1.12 0.00 5.09 2.08 -0.02 -4.20 119.36 119.03 1hdm n ILE 84 Ca -0.36 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 62.82 1hdm n ILE 84 Cb 0.72 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.54 1hdm n ILE 84 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1hdm n PRO 85 N 0.84 0.00 0.19 0.38 -0.02 -1.26 -1.96 135.00 133.17 1hdm n PRO 85 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 1hdm n PRO 85 Cb 0.44 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.17 1hdm n PRO 85 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1hdm h LYS 86 N 0.00 0.00 0.00 -0.52 1.57 -1.93 -3.17 116.57 112.52 1hdm h LYS 86 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1hdm h LYS 86 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1hdm h LYS 86 CO 0.00 0.30 -1.65 1.28 -0.57 0.00 0.00 179.45 178.81 1hdm n LEU 87 N -3.28 0.55 -4.62 2.94 4.77 -0.83 -4.84 117.00 111.69 1hdm n LEU 87 Ca 0.01 0.24 -0.56 0.00 -0.03 0.00 0.00 56.01 55.67 1hdm n LEU 87 Cb 0.56 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1hdm n LEU 87 CO 0.36 0.15 0.96 -0.67 -1.33 0.00 0.00 177.39 176.86 1hdm n ASP 88 N -2.73 1.46 0.00 -1.43 -0.08 -1.20 0.02 116.55 112.60 1hdm n ASP 88 Ca -0.12 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 1hdm n ASP 88 Cb 0.82 -1.10 0.00 0.00 2.34 0.00 0.00 41.12 43.18 1hdm n ASP 88 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1hdm n GLY 89 N 2.87 1.21 0.13 0.27 0.00 -1.26 -4.80 105.19 103.61 1hdm n GLY 89 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1hdm n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hdm n LYS 90 N -2.00 0.60 -4.50 1.61 4.76 0.10 -4.97 118.16 113.77 1hdm n LYS 90 Ca 0.00 0.27 -0.31 0.00 -2.87 0.00 0.00 58.31 55.40 1hdm n LYS 90 Cb 0.00 -1.53 -0.11 0.00 -1.84 0.00 0.00 35.03 31.55 1hdm n LYS 90 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1hdm s ILE 91 N -2.50 3.17 0.20 -0.18 -4.36 -1.12 -5.09 121.20 111.32 1hdm s ILE 91 Ca -0.37 -1.09 -0.31 0.00 -0.26 0.00 0.00 60.65 58.63 1hdm s ILE 91 Cb 0.13 -2.38 -0.10 0.00 1.25 0.00 0.00 42.46 41.35 1hdm s ILE 91 CO 0.53 0.30 1.50 -2.16 0.24 0.00 0.00 174.94 175.35 1hdm s PRO 92 N -1.61 4.24 0.02 0.37 0.04 -1.26 -4.90 135.00 131.90 1hdm s PRO 92 Ca 0.17 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 1hdm s PRO 92 Cb -0.11 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 1hdm s PRO 92 CO 0.08 -0.52 1.17 0.08 0.04 0.00 0.00 177.00 177.84 1hdm s VAL 93 N 0.65 4.22 0.16 -0.36 1.01 -1.26 -4.99 120.40 119.83 1hdm s VAL 93 Ca 0.65 1.58 -0.31 0.00 0.00 0.00 0.00 61.98 63.90 1hdm s VAL 93 Cb -0.43 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 1hdm s VAL 93 CO 0.36 0.09 1.57 -0.55 0.00 0.00 0.00 175.10 176.57 1hdm s SER 94 N 1.16 6.60 -0.11 3.32 0.15 -1.26 -5.01 113.70 118.54 1hdm s SER 94 Ca 0.57 2.60 -0.05 0.00 0.70 0.00 0.00 55.95 59.77 1hdm s SER 94 Cb -0.27 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.50 1hdm s SER 94 CO 0.27 -0.82 0.25 -0.13 1.20 0.00 0.00 173.24 174.00 1hdm s ARG 95 N 1.24 0.19 -0.07 5.44 0.52 -1.26 -4.46 118.95 120.55 1hdm s ARG 95 Ca 0.70 0.56 0.04 0.00 -0.52 0.00 0.00 55.73 56.51 1hdm s ARG 95 Cb -0.43 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 34.91 1hdm s ARG 95 CO 0.31 -0.18 -0.21 0.20 0.02 0.00 0.00 175.30 175.44 1hdm s GLY 96 N 1.45 1.39 0.06 -3.53 0.00 0.14 -4.98 107.32 101.84 1hdm s GLY 96 Ca -0.08 -1.00 -0.31 0.00 0.00 0.00 0.00 44.72 43.34 1hdm s GLY 96 CO -0.08 -0.54 1.23 -0.11 0.00 0.00 0.00 173.10 173.59 1hdm s PHE 97 N -0.10 3.38 0.41 1.90 -0.12 -1.25 -3.20 117.98 119.00 1hdm s PHE 97 Ca -0.04 1.24 -0.25 0.00 -0.05 0.00 0.00 56.93 57.82 1hdm s PHE 97 Cb -0.14 -3.46 -0.08 0.00 -0.63 0.00 0.00 43.02 38.71 1hdm s PHE 97 CO 0.04 -1.44 1.27 -1.25 -0.05 0.00 0.00 175.22 173.79 1hdm s PRO 98 N 1.20 3.93 -0.23 1.99 0.04 -1.26 -4.55 135.00 136.12 1hdm s PRO 98 Ca 0.59 2.08 0.02 0.00 0.04 0.00 0.00 61.00 63.73 1hdm s PRO 98 Cb -0.30 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 31.58 1hdm s PRO 98 CO 0.29 -0.50 -0.15 0.42 0.04 0.00 0.00 177.00 177.10 1hdm s ILE 99 N -1.31 2.14 -0.13 0.56 1.01 -0.48 -4.88 121.20 118.11 1hdm s ILE 99 Ca 0.58 -1.32 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 1hdm s ILE 99 Cb -0.36 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 1hdm s ILE 99 CO 0.46 0.22 0.21 0.00 0.00 0.00 0.00 174.94 175.83 1hdm s ALA 100 N 1.19 3.74 -0.06 9.38 0.00 -1.26 -1.54 121.76 133.20 1hdm s ALA 100 Ca -0.03 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1hdm s ALA 100 Cb -0.17 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1hdm s ALA 100 CO -0.08 0.35 -0.16 -2.00 0.00 0.00 0.00 175.76 173.87 1hdm s GLU 101 N -0.32 2.02 -0.03 0.00 2.12 0.60 -4.83 118.70 118.26 1hdm s GLU 101 Ca 0.15 -0.58 0.06 0.00 0.36 0.00 0.00 54.97 54.96 1hdm s GLU 101 Cb -0.13 -1.65 -0.01 0.00 0.26 0.00 0.00 34.13 32.60 1hdm s GLU 101 CO 0.04 0.14 -0.22 0.54 -0.54 0.00 0.00 175.26 175.22 1hdm s VAL 102 N 0.37 1.73 0.26 3.70 0.11 -1.26 -0.34 120.40 124.97 1hdm s VAL 102 Ca -0.12 -0.92 -0.21 0.00 -2.93 0.00 0.00 61.98 57.80 1hdm s VAL 102 Cb -0.15 -1.45 0.05 0.00 -1.53 0.00 0.00 36.38 33.30 1hdm s VAL 102 CO 0.04 0.49 0.85 0.72 -3.33 0.00 0.00 175.10 173.87 1hdm s PHE 103 N -0.40 -0.06 -0.05 1.54 -0.12 -0.37 -4.95 117.98 113.56 1hdm s PHE 103 Ca 0.05 -0.41 -0.02 0.00 -0.05 0.00 0.00 56.93 56.50 1hdm s PHE 103 Cb -0.09 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1hdm s PHE 103 CO 0.00 -1.17 0.07 0.95 -0.05 0.00 0.00 175.22 175.02 1hdm s THR 104 N -3.11 4.80 0.19 -4.49 -4.23 -1.26 0.44 115.64 107.98 1hdm s THR 104 Ca 0.14 -0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 1hdm s THR 104 Cb -0.04 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.77 1hdm s THR 104 CO 0.07 0.48 1.74 0.25 -0.54 0.00 0.00 174.62 176.61 1hdm h LEU 105 N 4.57 0.15 -9.57 4.79 5.85 -1.26 -3.43 115.31 116.40 1hdm h LEU 105 Ca -0.51 0.07 -0.60 0.00 0.84 0.00 0.00 57.88 57.68 1hdm h LEU 105 Cb 1.19 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.17 1hdm h LEU 105 CO 0.59 0.11 -0.63 -0.54 -0.34 0.00 0.00 178.44 177.63 1hdm s LYS 106 N -6.13 1.99 0.44 1.25 1.02 -1.26 -5.06 119.74 111.99 1hdm s LYS 106 Ca -0.13 -1.85 -0.25 0.00 0.02 0.00 0.00 55.97 53.76 1hdm s LYS 106 Cb 0.15 -1.83 -0.08 0.00 -0.52 0.00 0.00 37.83 35.55 1hdm s LYS 106 CO 0.73 0.10 1.34 -2.14 -0.92 0.00 0.00 175.35 174.46 1hdm s PRO 107 N -3.69 3.76 0.40 -1.68 0.02 -1.26 -4.93 135.00 127.62 1hdm s PRO 107 Ca 0.34 2.23 -0.27 0.00 0.02 0.00 0.00 61.00 63.32 1hdm s PRO 107 Cb 0.02 -2.64 -0.10 0.00 0.02 0.00 0.00 34.50 31.80 1hdm s PRO 107 CO 0.18 -0.69 1.36 -0.11 -0.33 0.00 0.00 177.00 177.42 1hdm n LEU 108 N -0.16 4.34 -3.15 -5.54 7.94 -1.26 -4.94 117.00 114.23 1hdm n LEU 108 Ca 0.05 1.16 0.04 0.00 -1.11 0.00 0.00 56.01 56.16 1hdm n LEU 108 Cb 0.43 -1.55 -0.00 0.00 0.53 0.00 0.00 43.42 42.83 1hdm n LEU 108 CO 0.56 -0.32 0.25 -0.70 -1.11 0.00 0.00 177.39 176.07 1hdm s GLU 109 N -2.17 0.43 0.30 1.96 2.12 -1.26 -1.79 118.70 118.30 1hdm s GLU 109 Ca 0.58 0.54 -0.28 0.00 0.36 0.00 0.00 54.97 56.18 1hdm s GLU 109 Cb -0.50 0.27 -0.14 0.00 0.26 0.00 0.00 34.13 34.03 1hdm s GLU 109 CO 0.60 -0.70 0.99 1.19 -0.54 0.00 0.00 175.26 176.81 1hdm n PHE 110 N 5.36 1.20 0.00 5.30 3.01 -1.26 -1.67 117.46 129.40 1hdm n PHE 110 Ca 0.03 0.69 0.00 0.00 1.01 0.00 0.00 57.45 59.18 1hdm n PHE 110 Cb 0.54 -2.24 0.00 0.00 -0.01 0.00 0.00 39.48 37.77 1hdm n PHE 110 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hdm n GLY 111 N 1.23 2.74 3.68 1.37 0.00 -0.27 -4.99 105.19 108.96 1hdm n GLY 111 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1hdm n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hdm s LYS 112 N 0.00 4.15 0.20 1.61 2.20 -0.67 -4.94 119.74 122.29 1hdm s LYS 112 Ca 0.00 -0.01 -0.32 0.00 -0.36 0.00 0.00 55.97 55.28 1hdm s LYS 112 Cb 0.00 -3.51 -0.14 0.00 -1.51 0.00 0.00 37.83 32.66 1hdm s LYS 112 CO 0.00 0.06 1.34 -2.30 -0.36 0.00 0.00 175.35 174.08 1hdm n PRO 113 N 4.21 1.69 -2.27 4.03 -0.02 -1.26 -4.25 135.00 137.13 1hdm n PRO 113 Ca -0.12 0.60 -0.03 0.00 -2.02 0.00 0.00 63.50 61.93 1hdm n PRO 113 Cb 0.52 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1hdm n PRO 113 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1hdm n ASN 114 N 2.25 -0.18 -3.71 2.55 2.85 0.13 -4.99 115.26 114.15 1hdm n ASN 114 Ca 0.14 -1.39 -0.11 0.00 -0.11 0.00 0.00 54.58 53.10 1hdm n ASN 114 Cb 0.28 0.38 -0.11 0.00 1.24 0.00 0.00 39.78 41.57 1hdm n ASN 114 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1hdm s THR 115 N -2.35 -0.03 0.07 -0.44 -1.32 -1.26 -0.78 115.64 109.53 1hdm s THR 115 Ca 0.07 0.09 -0.25 0.00 -1.21 0.00 0.00 61.69 60.39 1hdm s THR 115 Cb 0.00 -0.52 -0.06 0.00 -1.51 0.00 0.00 72.50 70.41 1hdm s THR 115 CO 0.05 0.04 0.76 -0.22 -2.21 0.00 0.00 174.62 173.03 1hdm s LEU 116 N 1.14 4.48 -0.08 9.08 2.96 0.12 -0.70 118.68 135.69 1hdm s LEU 116 Ca -0.08 1.47 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 1hdm s LEU 116 Cb -0.08 -3.23 -0.01 0.00 0.50 0.00 0.00 46.19 43.37 1hdm s LEU 116 CO -0.09 0.06 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.10 1hdm s VAL 117 N -0.29 2.40 -0.33 1.68 1.01 0.17 -0.63 120.40 124.42 1hdm s VAL 117 Ca 0.38 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1hdm s VAL 117 Cb -0.21 -1.92 0.10 0.00 0.00 0.00 0.00 36.38 34.35 1hdm s VAL 117 CO 0.23 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.94 1hdm s PHE 119 N 1.04 3.37 -0.20 0.00 5.99 0.54 -1.97 117.98 126.75 1hdm s PHE 119 Ca 0.09 0.86 -0.03 0.00 0.00 0.00 0.00 56.93 57.85 1hdm s PHE 119 Cb -0.19 -2.75 -0.01 0.00 0.00 0.00 0.00 43.02 40.08 1hdm s PHE 119 CO -0.10 -0.15 -0.07 0.08 -0.00 0.00 0.00 175.22 174.97 1hdm s VAL 120 N 1.83 3.16 0.46 3.12 1.01 0.23 -0.29 120.40 129.91 1hdm s VAL 120 Ca 0.27 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1hdm s VAL 120 Cb -0.16 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1hdm s VAL 120 CO 0.10 0.45 0.05 -0.94 0.00 0.00 0.00 175.10 174.76 1hdm s SER 121 N 1.32 3.60 -1.47 3.32 1.04 -0.59 -0.06 113.70 120.86 1hdm s SER 121 Ca 0.04 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.85 1hdm s SER 121 Cb -0.14 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1hdm s SER 121 CO -0.04 -0.83 0.00 -3.20 0.98 0.00 0.00 173.24 170.15 1hdm n ASN 122 N -1.22 -5.38 -4.68 7.02 4.05 -1.23 -1.38 115.26 112.44 1hdm n ASN 122 Ca -0.13 0.34 -0.42 0.00 0.45 0.00 0.00 54.58 54.82 1hdm n ASN 122 Cb 0.66 -4.25 -0.03 0.00 1.23 0.00 0.00 39.78 37.39 1hdm n ASN 122 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1hdm s LEU 123 N -3.22 4.29 -0.30 1.20 2.96 -1.21 -3.88 118.68 118.52 1hdm s LEU 123 Ca 0.00 2.03 -0.14 0.00 -0.22 0.00 0.00 54.13 55.80 1hdm s LEU 123 Cb 0.00 -3.55 0.17 0.00 0.50 0.00 0.00 46.19 43.31 1hdm s LEU 123 CO 0.00 -0.75 0.98 0.12 -1.32 0.00 0.00 176.35 175.38 1hdm s PHE 124 N 2.85 -0.70 0.94 5.38 5.36 -1.19 -3.45 117.98 127.17 1hdm s PHE 124 Ca 0.63 1.13 -0.11 0.00 -0.96 0.00 0.00 56.93 57.62 1hdm s PHE 124 Cb -0.29 0.39 0.16 0.00 -0.34 0.00 0.00 43.02 42.93 1hdm s PHE 124 CO 0.24 -0.35 1.09 -1.25 -1.46 0.00 0.00 175.22 173.49 1hdm s PRO 125 N 2.53 0.86 -1.37 10.12 0.04 -1.26 0.29 135.00 146.21 1hdm s PRO 125 Ca -0.01 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 1hdm s PRO 125 Cb -0.07 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1hdm s PRO 125 CO -0.17 -2.59 2.38 -0.35 0.04 0.00 0.00 177.00 176.30 1hdm n PRO 126 N -4.16 2.83 -3.95 0.56 -0.04 -1.26 -4.79 135.00 124.19 1hdm n PRO 126 Ca 0.08 -2.30 -0.30 0.00 -0.04 0.00 0.00 63.50 60.94 1hdm n PRO 126 Cb 0.54 -3.04 -0.16 0.00 -0.04 0.00 0.00 33.50 30.80 1hdm n PRO 126 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1hdm s MET 127 N 3.19 1.68 0.13 0.54 -1.94 -1.26 -4.59 119.30 117.04 1hdm s MET 127 Ca 0.54 -0.97 -0.17 0.00 -1.71 0.00 0.00 55.69 53.37 1hdm s MET 127 Cb 0.15 -2.56 0.04 0.00 2.01 0.00 0.00 34.83 34.46 1hdm s MET 127 CO -0.05 -0.58 0.43 -0.48 -0.01 0.00 0.00 175.02 174.34 1hdm s LEU 128 N 1.39 0.25 -0.02 -0.03 2.34 -1.26 -1.47 118.68 119.89 1hdm s LEU 128 Ca -0.05 -0.25 0.01 0.00 0.06 0.00 0.00 54.13 53.89 1hdm s LEU 128 Cb -0.19 1.96 0.01 0.00 -0.56 0.00 0.00 46.19 47.41 1hdm s LEU 128 CO -0.06 -0.86 -0.03 -0.89 -1.06 0.00 0.00 176.35 173.45 1hdm s THR 129 N -3.74 0.29 -0.14 5.48 2.01 -0.70 -4.88 115.64 113.97 1hdm s THR 129 Ca 0.02 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1hdm s THR 129 Cb 0.01 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1hdm s THR 129 CO -0.12 0.12 -0.12 0.54 -0.69 0.00 0.00 174.62 174.35 1hdm s VAL 130 N 0.36 1.38 0.09 3.82 0.11 -1.26 -0.71 120.40 124.18 1hdm s VAL 130 Ca -0.04 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.56 1hdm s VAL 130 Cb -0.07 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 1hdm s VAL 130 CO -0.01 0.43 -0.05 0.20 -3.33 0.00 0.00 175.10 172.34 1hdm s ASN 131 N 1.56 4.69 -0.02 3.54 0.01 0.38 -4.95 114.94 120.15 1hdm s ASN 131 Ca 0.05 -0.27 0.05 0.00 -0.71 0.00 0.00 52.86 51.97 1hdm s ASN 131 Cb -0.13 -1.02 -0.03 0.00 0.41 0.00 0.00 41.25 40.49 1hdm s ASN 131 CO -0.10 0.19 -0.15 0.26 -1.51 0.00 0.00 177.10 175.79 1hdm s TRP 132 N -1.23 2.67 0.00 2.20 0.52 -1.26 0.10 118.94 121.94 1hdm s TRP 132 Ca 0.23 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.21 1hdm s TRP 132 Cb -0.11 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.62 1hdm s TRP 132 CO 0.15 0.22 -0.13 -1.01 0.02 0.00 0.00 176.95 176.20 1hdm s HIS 133 N -0.81 1.18 -0.26 -1.98 3.76 -0.35 -2.28 115.29 114.55 1hdm s HIS 133 Ca 0.13 -0.25 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1hdm s HIS 133 Cb -0.11 -0.74 0.03 0.00 1.11 0.00 0.00 32.58 32.87 1hdm s HIS 133 CO 0.03 -0.01 -0.06 0.34 -0.85 0.00 0.00 174.74 174.19 1hdm s ASP 134 N -0.51 4.39 -1.29 1.40 -1.08 0.66 -0.92 116.67 119.32 1hdm s ASP 134 Ca 0.04 -1.01 -0.07 0.00 -0.52 0.00 0.00 52.55 50.99 1hdm s ASP 134 Cb -0.06 -1.65 -0.00 0.00 -1.46 0.00 0.00 42.92 39.75 1hdm s ASP 134 CO -0.00 -0.16 0.60 1.41 0.52 0.00 0.00 175.17 177.55 1hdm n HIS 135 N 4.63 -1.79 -2.37 -5.34 8.25 0.48 -1.46 115.22 117.62 1hdm n HIS 135 Ca -0.16 0.66 -0.19 0.00 -0.26 0.00 0.00 57.72 57.77 1hdm n HIS 135 Cb 0.46 -3.76 -0.01 0.00 1.12 0.00 0.00 29.99 27.80 1hdm n HIS 135 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1hdm n SER 136 N -2.89 -5.59 -3.88 0.41 7.64 -1.26 -4.99 113.62 103.06 1hdm n SER 136 Ca -0.23 0.04 -0.18 0.00 1.01 0.00 0.00 58.87 59.50 1hdm n SER 136 Cb 0.65 -4.67 -0.16 0.00 -1.01 0.00 0.00 64.21 59.02 1hdm n SER 136 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1hdm s VAL 137 N -2.96 0.41 0.26 0.44 1.01 -0.53 -5.11 120.40 113.92 1hdm s VAL 137 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1hdm s VAL 137 Cb 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 36.38 35.80 1hdm s VAL 137 CO 0.00 0.18 1.26 -2.65 0.00 0.00 0.00 175.10 173.89 1hdm n PRO 138 N 3.86 1.76 -1.30 2.72 -0.02 -1.26 -0.25 135.00 140.52 1hdm n PRO 138 Ca -0.24 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 1hdm n PRO 138 Cb 0.52 -2.18 0.10 0.00 -0.02 0.00 0.00 33.50 31.93 1hdm n PRO 138 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1hdm s VAL 139 N -0.51 2.39 0.15 -1.45 -7.23 -0.97 -4.75 120.40 108.02 1hdm s VAL 139 Ca 0.64 0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 60.87 1hdm s VAL 139 Cb -0.68 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.63 1hdm s VAL 139 CO 0.55 -0.12 1.54 -0.08 -0.31 0.00 0.00 175.10 176.68 1hdm h GLU 140 N -0.64 0.96 0.00 4.82 4.57 -1.93 -3.46 114.58 118.89 1hdm h GLU 140 Ca -0.46 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.30 1hdm h GLU 140 Cb 1.28 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1hdm h GLU 140 CO 0.48 1.08 0.00 0.41 -1.18 0.00 0.00 179.01 179.80 1hdm n GLY 141 N -0.09 2.61 3.74 1.92 0.00 -1.26 -5.18 105.19 106.93 1hdm n GLY 141 Ca -0.00 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.20 1hdm n GLY 141 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hdm s PHE 142 N 4.22 -0.01 0.32 1.61 -0.12 -1.26 -5.06 117.98 117.68 1hdm s PHE 142 Ca 0.00 -0.08 0.05 0.00 -0.05 0.00 0.00 56.93 56.85 1hdm s PHE 142 Cb 0.00 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 1hdm s PHE 142 CO 0.00 -0.23 0.30 0.20 -0.05 0.00 0.00 175.22 175.44 1hdm s GLY 143 N -3.28 2.12 0.44 1.99 0.00 -1.21 -4.80 107.32 102.58 1hdm s GLY 143 Ca 0.20 -1.95 -0.16 0.00 0.00 0.00 0.00 44.72 42.81 1hdm s GLY 143 CO -0.03 -1.38 0.89 2.56 0.00 0.00 0.00 173.10 175.14 1hdm s PRO 144 N -3.42 3.97 -0.24 2.90 0.04 -1.25 -4.74 135.00 132.25 1hdm s PRO 144 Ca 0.39 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1hdm s PRO 144 Cb 0.02 -2.25 0.07 0.00 0.04 0.00 0.00 34.50 32.38 1hdm s PRO 144 CO 0.25 -0.11 -0.02 0.99 0.04 0.00 0.00 177.00 178.16 1hdm s THR 145 N -2.39 1.35 -0.32 1.26 2.01 -1.26 -1.40 115.64 114.90 1hdm s THR 145 Ca 0.57 -1.19 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1hdm s THR 145 Cb -0.10 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1hdm s THR 145 CO 0.26 -0.20 0.16 -0.36 -0.69 0.00 0.00 174.62 173.79 1hdm s PHE 146 N 1.46 3.19 -0.02 4.92 0.40 -0.45 -4.93 117.98 122.55 1hdm s PHE 146 Ca -0.03 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.63 1hdm s PHE 146 Cb -0.18 -2.37 -0.05 0.00 0.51 0.00 0.00 43.02 40.92 1hdm s PHE 146 CO -0.08 -0.46 0.32 0.08 0.70 0.00 0.00 175.22 175.77 1hdm s VAL 147 N 1.62 5.20 0.03 -0.44 1.01 -1.26 -2.06 120.40 124.50 1hdm s VAL 147 Ca 0.04 0.51 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 1hdm s VAL 147 Cb -0.17 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1hdm s VAL 147 CO 0.07 0.51 0.32 -0.94 0.00 0.00 0.00 175.10 175.06 1hdm s SER 148 N -1.28 -0.16 0.21 3.32 1.04 -0.43 -5.00 113.70 111.41 1hdm s SER 148 Ca 0.24 -0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.37 1hdm s SER 148 Cb -0.15 0.36 -0.08 0.00 0.10 0.00 0.00 66.02 66.26 1hdm s SER 148 CO 0.12 -0.59 0.69 0.00 0.98 0.00 0.00 173.24 174.44 1hdm s ALA 149 N -2.33 3.44 0.16 5.32 0.00 -1.26 -1.58 121.76 125.50 1hdm s ALA 149 Ca -0.06 0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1hdm s ALA 149 Cb -0.02 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1hdm s ALA 149 CO -0.02 0.36 -0.17 0.14 0.00 0.00 0.00 175.76 176.07 1hdm s VAL 150 N -1.55 1.68 0.25 0.00 -7.23 -0.22 -4.94 120.40 108.38 1hdm s VAL 150 Ca 0.43 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 1hdm s VAL 150 Cb -0.16 -1.77 -0.15 0.00 0.56 0.00 0.00 36.38 34.86 1hdm s VAL 150 CO 0.20 -0.36 0.89 -0.67 -0.31 0.00 0.00 175.10 174.85 1hdm n ASP 151 N 0.31 0.56 0.00 4.85 2.03 -1.26 -3.08 116.55 119.95 1hdm n ASP 151 Ca -0.13 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1hdm n ASP 151 Cb 0.57 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1hdm n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hdm n GLY 152 N 1.52 1.12 2.45 0.27 0.00 -1.26 -4.40 105.19 104.90 1hdm n GLY 152 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1hdm n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hdm n LEU 153 N 0.00 -1.71 -4.76 0.99 4.77 -1.22 -4.99 117.00 110.08 1hdm n LEU 153 Ca 0.00 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.89 1hdm n LEU 153 Cb 0.00 -2.75 -0.07 0.00 -2.33 0.00 0.00 43.42 38.27 1hdm n LEU 153 CO 0.00 -0.52 -0.15 -0.55 -1.33 0.00 0.00 177.39 174.84 1hdm s SER 154 N -2.38 4.36 0.29 -1.43 0.15 -1.18 -5.00 113.70 108.50 1hdm s SER 154 Ca 0.00 -1.24 0.05 0.00 0.70 0.00 0.00 55.95 55.46 1hdm s SER 154 Cb 0.00 -0.14 -0.06 0.00 -1.71 0.00 0.00 66.02 64.11 1hdm s SER 154 CO 0.00 -0.69 -0.01 -0.36 1.20 0.00 0.00 173.24 173.38 1hdm s PHE 155 N -2.69 1.91 0.25 3.44 0.40 -1.22 -1.06 117.98 119.01 1hdm s PHE 155 Ca 0.33 -0.81 -0.18 0.00 -0.60 0.00 0.00 56.93 55.67 1hdm s PHE 155 Cb 0.03 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.42 1hdm s PHE 155 CO 0.18 0.15 0.61 1.14 0.70 0.00 0.00 175.22 178.01 1hdm s GLN 156 N -3.80 1.63 0.03 0.44 -2.07 -0.62 -3.28 119.66 112.00 1hdm s GLN 156 Ca 0.31 -1.04 -0.17 0.00 -1.82 0.00 0.00 55.36 52.64 1hdm s GLN 156 Cb 0.06 0.55 0.03 0.00 -1.09 0.00 0.00 33.01 32.56 1hdm s GLN 156 CO 0.13 -0.72 0.38 0.00 -1.32 0.00 0.00 175.29 173.76 1hdm s ALA 157 N -3.94 -0.93 -0.12 2.60 0.00 0.92 -1.31 121.76 118.98 1hdm s ALA 157 Ca 0.14 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1hdm s ALA 157 Cb -0.03 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.41 1hdm s ALA 157 CO 0.05 -0.42 -0.05 -0.06 0.00 0.00 0.00 175.76 175.28 1hdm s PHE 158 N -2.30 1.38 -0.07 0.00 0.40 -0.88 -0.60 117.98 115.91 1hdm s PHE 158 Ca -0.06 -0.73 0.03 0.00 -0.60 0.00 0.00 56.93 55.57 1hdm s PHE 158 Cb -0.01 -1.17 -0.02 0.00 0.51 0.00 0.00 43.02 42.32 1hdm s PHE 158 CO -0.01 -0.51 -0.14 0.45 0.70 0.00 0.00 175.22 175.71 1hdm s SER 159 N 1.74 4.03 0.19 1.36 0.15 -0.83 -1.34 113.70 119.00 1hdm s SER 159 Ca 0.04 -0.23 0.11 0.00 0.70 0.00 0.00 55.95 56.57 1hdm s SER 159 Cb -0.13 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.08 1hdm s SER 159 CO -0.08 0.30 -0.23 -0.31 1.20 0.00 0.00 173.24 174.13 1hdm s TYR 160 N -0.45 2.33 -0.23 3.44 1.51 -0.49 -1.11 117.35 122.35 1hdm s TYR 160 Ca 0.05 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1hdm s TYR 160 Cb -0.12 -1.16 0.12 0.00 -0.11 0.00 0.00 41.96 40.69 1hdm s TYR 160 CO 0.02 0.50 0.30 -1.17 -1.11 0.00 0.00 175.55 174.09 1hdm s LEU 161 N -2.67 -0.36 0.42 -1.29 2.96 0.20 -3.34 118.68 114.59 1hdm s LEU 161 Ca 0.21 -0.12 -0.25 0.00 -0.22 0.00 0.00 54.13 53.75 1hdm s LEU 161 Cb -0.08 0.72 -0.08 0.00 0.50 0.00 0.00 46.19 47.25 1hdm s LEU 161 CO 0.10 -0.33 1.24 0.20 -1.32 0.00 0.00 176.35 176.25 1hdm s ASN 162 N 2.43 6.32 0.02 3.68 0.01 -1.26 0.16 114.94 126.28 1hdm s ASN 162 Ca 0.10 2.52 -0.29 0.00 -0.71 0.00 0.00 52.86 54.47 1hdm s ASN 162 Cb -0.15 -2.63 0.11 0.00 0.41 0.00 0.00 41.25 38.99 1hdm s ASN 162 CO -0.17 -0.83 1.20 0.72 -1.51 0.00 0.00 177.10 176.51 1hdm s PHE 163 N -1.34 -0.07 -0.22 2.20 -0.00 0.04 -4.87 117.98 113.71 1hdm s PHE 163 Ca 0.58 -0.08 0.02 0.00 -0.00 0.00 0.00 56.93 57.45 1hdm s PHE 163 Cb -0.35 0.57 0.05 0.00 -0.00 0.00 0.00 43.02 43.29 1hdm s PHE 163 CO 0.44 -0.41 -0.11 0.99 -0.00 0.00 0.00 175.22 176.13 1hdm s THR 164 N -2.64 1.87 0.29 -4.49 2.01 -1.26 0.20 115.64 111.62 1hdm s THR 164 Ca 0.13 -1.23 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 1hdm s THR 164 Cb 0.03 -1.93 -0.10 0.00 0.01 0.00 0.00 72.50 70.51 1hdm s THR 164 CO -0.03 0.13 1.36 -2.16 -0.69 0.00 0.00 174.62 173.23 1hdm s PRO 165 N 1.28 4.32 0.04 4.92 0.04 -1.26 -4.81 135.00 139.53 1hdm s PRO 165 Ca -0.03 2.24 0.05 0.00 0.04 0.00 0.00 61.00 63.29 1hdm s PRO 165 Cb -0.17 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1hdm s PRO 165 CO -0.08 -0.28 -0.13 -1.21 0.04 0.00 0.00 177.00 175.34 1hdm s GLU 166 N -1.17 0.87 0.39 4.56 0.41 -1.26 -1.11 118.70 121.39 1hdm s GLU 166 Ca 0.53 -0.76 0.20 0.00 -0.41 0.00 0.00 54.97 54.52 1hdm s GLU 166 Cb -0.40 -0.86 1.16 0.00 -1.78 0.00 0.00 34.13 32.24 1hdm s GLU 166 CO 0.49 0.21 1.71 -1.35 -0.49 0.00 0.00 175.26 175.82 1hdm h PRO 167 N 4.85 0.31 -0.00 0.39 0.11 -1.96 -0.05 132.00 135.64 1hdm h PRO 167 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1hdm h PRO 167 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hdm h PRO 167 CO 0.43 0.21 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.28 1hdm n SER 168 N -4.76 0.11 -4.67 -2.05 3.41 -1.26 -4.87 113.62 99.53 1hdm n SER 168 Ca 0.30 -0.39 -0.38 0.00 -0.26 0.00 0.00 58.87 58.13 1hdm n SER 168 Cb 1.03 -0.19 0.05 0.00 -0.26 0.00 0.00 64.21 64.84 1hdm n SER 168 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1hdm n ASP 169 N -1.16 1.60 -3.32 4.04 8.00 -0.04 -5.04 116.55 120.63 1hdm n ASP 169 Ca 0.16 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.55 1hdm n ASP 169 Cb 0.23 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 39.83 1hdm n ASP 169 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1hdm s ILE 170 N -1.40 -0.93 0.22 0.53 -1.16 -1.26 -4.42 121.20 112.78 1hdm s ILE 170 Ca 0.74 0.00 0.11 0.00 -0.51 0.00 0.00 60.65 60.98 1hdm s ILE 170 Cb -0.43 -0.95 -0.04 0.00 0.61 0.00 0.00 42.46 41.64 1hdm s ILE 170 CO 0.48 -0.01 -0.15 -0.36 -2.81 0.00 0.00 174.94 172.09 1hdm s PHE 171 N 2.81 2.45 -0.05 3.50 0.40 -0.87 -0.39 117.98 125.85 1hdm s PHE 171 Ca 0.12 -0.29 -0.04 0.00 -0.60 0.00 0.00 56.93 56.12 1hdm s PHE 171 Cb -0.14 -1.15 0.02 0.00 0.51 0.00 0.00 43.02 42.25 1hdm s PHE 171 CO -0.19 0.58 0.13 -1.54 0.70 0.00 0.00 175.22 174.89 1hdm s SER 172 N -3.07 -0.13 -0.27 1.36 1.04 -0.10 -1.13 113.70 111.41 1hdm s SER 172 Ca 0.26 0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.85 1hdm s SER 172 Cb -0.07 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 1hdm s SER 172 CO 0.14 -0.06 0.17 0.00 0.98 0.00 0.00 173.24 174.47 1hdm s ILE 174 N 1.66 3.72 -0.29 0.00 1.01 0.11 -0.96 121.20 126.45 1hdm s ILE 174 Ca 0.07 -1.44 -0.10 0.00 0.00 0.00 0.00 60.65 59.17 1hdm s ILE 174 Cb -0.16 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1hdm s ILE 174 CO 0.09 -0.38 0.16 -0.69 0.00 0.00 0.00 174.94 174.12 1hdm s VAL 175 N 1.34 4.91 -0.19 2.92 1.01 0.88 -0.47 120.40 130.79 1hdm s VAL 175 Ca 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1hdm s VAL 175 Cb -0.21 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1hdm s VAL 175 CO 0.01 0.18 0.02 0.28 0.00 0.00 0.00 175.10 175.59 1hdm s THR 176 N 1.68 4.26 -0.91 3.92 -1.32 0.11 -0.37 115.64 123.01 1hdm s THR 176 Ca 0.06 -0.21 -0.23 0.00 -1.21 0.00 0.00 61.69 60.10 1hdm s THR 176 Cb -0.16 -2.92 0.07 0.00 -1.51 0.00 0.00 72.50 67.97 1hdm s THR 176 CO 0.08 0.44 1.29 -2.28 -2.21 0.00 0.00 174.62 171.94 1hdm s HIS 177 N 0.75 2.64 0.47 9.09 2.46 0.16 -1.71 115.29 129.15 1hdm s HIS 177 Ca 0.01 -0.80 -0.25 0.00 0.47 0.00 0.00 55.06 54.50 1hdm s HIS 177 Cb -0.14 -4.54 -0.08 0.00 -0.13 0.00 0.00 32.58 27.69 1hdm s HIS 177 CO 0.02 -1.83 1.39 -1.21 -2.47 0.00 0.00 174.74 170.65 1hdm s GLU 178 N 4.47 3.60 -0.42 2.88 0.41 -0.54 -0.75 118.70 128.34 1hdm s GLU 178 Ca 0.38 2.33 -0.14 0.00 -0.41 0.00 0.00 54.97 57.13 1hdm s GLU 178 Cb -0.04 -2.57 0.04 0.00 -1.78 0.00 0.00 34.13 29.77 1hdm s GLU 178 CO -0.03 -0.85 0.31 -1.25 -0.49 0.00 0.00 175.26 172.95 1hdm s PRO 179 N -2.53 2.94 -1.57 0.39 0.05 -1.26 -4.65 135.00 128.37 1hdm s PRO 179 Ca 0.63 -1.14 -0.01 0.00 0.05 0.00 0.00 61.00 60.53 1hdm s PRO 179 Cb -0.42 -3.99 0.00 0.00 0.05 0.00 0.00 34.50 30.15 1hdm s PRO 179 CO 0.53 -0.83 0.06 -3.47 0.05 0.00 0.00 177.00 173.34 1hdm n ASP 180 N 5.14 -5.38 -0.03 6.66 2.03 -1.22 -4.87 116.55 118.88 1hdm n ASP 180 Ca -0.11 0.01 -0.16 0.00 0.52 0.00 0.00 54.79 55.05 1hdm n ASP 180 Cb 0.46 -4.49 -0.09 0.00 -0.72 0.00 0.00 41.12 36.29 1hdm n ASP 180 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1hdm h ARG 181 N -0.13 0.48 -1.88 -0.67 3.08 -1.20 -3.48 114.38 110.58 1hdm h ARG 181 Ca -0.45 -0.39 0.04 0.00 0.07 0.00 0.00 59.98 59.25 1hdm h ARG 181 Cb 1.33 0.08 -0.20 0.00 0.08 0.00 0.00 29.97 31.26 1hdm h ARG 181 CO 0.52 1.02 0.41 -0.47 -1.07 0.00 0.00 179.97 180.38 1hdm s TYR 182 N -3.68 -0.46 -0.07 3.04 5.04 -1.19 -5.01 117.35 115.01 1hdm s TYR 182 Ca -0.13 0.71 0.01 0.00 -2.44 0.00 0.00 57.07 55.22 1hdm s TYR 182 Cb 0.05 0.46 0.02 0.00 0.35 0.00 0.00 41.96 42.84 1hdm s TYR 182 CO 0.81 -0.48 -0.08 0.99 -1.34 0.00 0.00 175.55 175.45 1hdm s THR 183 N -1.58 0.88 -0.03 4.34 2.01 -1.26 0.41 115.64 120.40 1hdm s THR 183 Ca -0.03 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1hdm s THR 183 Cb -0.00 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 1hdm s THR 183 CO 0.02 0.31 -0.25 0.00 -0.69 0.00 0.00 174.62 174.01 1hdm s ALA 184 N 0.99 2.20 0.04 7.40 0.00 0.50 -4.99 121.76 127.90 1hdm s ALA 184 Ca -0.09 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.86 1hdm s ALA 184 Cb -0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1hdm s ALA 184 CO 0.00 0.50 -0.23 0.42 0.00 0.00 0.00 175.76 176.44 1hdm s ILE 185 N -0.49 2.36 -0.05 0.00 1.01 -1.26 -0.08 121.20 122.69 1hdm s ILE 185 Ca 0.06 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 1hdm s ILE 185 Cb -0.11 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.45 1hdm s ILE 185 CO 0.00 0.38 0.01 0.00 0.00 0.00 0.00 174.94 175.33 1hdm s ALA 186 N -0.83 0.51 0.22 9.38 0.00 -0.14 -4.96 121.76 125.95 1hdm s ALA 186 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 1hdm s ALA 186 Cb -0.10 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1hdm s ALA 186 CO 0.03 -0.37 0.46 0.71 0.00 0.00 0.00 175.76 176.59 1hdm s TYR 187 N 1.77 3.47 -0.02 0.00 1.51 -1.26 -0.13 117.35 122.69 1hdm s TYR 187 Ca 0.01 0.54 -0.00 0.00 -1.01 0.00 0.00 57.07 56.61 1hdm s TYR 187 Cb -0.13 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.75 1hdm s TYR 187 CO -0.04 0.31 0.03 -0.46 -1.11 0.00 0.00 175.55 174.28 1hdm s TRP 188 N -1.90 0.07 0.02 2.71 -0.00 -0.28 -4.81 118.94 114.75 1hdm s TRP 188 Ca 0.42 0.12 0.04 0.00 -0.00 0.00 0.00 56.10 56.68 1hdm s TRP 188 Cb -0.11 -0.27 -0.02 0.00 -0.00 0.00 0.00 33.47 33.07 1hdm s TRP 188 CO 0.28 -0.10 -0.13 0.14 -0.00 0.00 0.00 176.95 177.14 1hdm s VAL 189 N 1.13 1.01 -0.28 5.86 -7.23 -1.26 -2.04 120.40 117.60 1hdm s VAL 189 Ca -0.08 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.95 1hdm s VAL 189 Cb -0.13 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 35.91 1hdm s VAL 189 CO -0.03 0.06 1.22 -2.16 -0.31 0.00 0.00 175.10 173.88 1hdm s PRO 190 N -0.90 4.03 0.05 4.82 0.05 -1.26 -5.00 135.00 136.79 1hdm s PRO 190 Ca 0.02 1.29 0.02 0.00 0.05 0.00 0.00 61.00 62.38 1hdm s PRO 190 Cb -0.07 -3.81 -0.03 0.00 0.05 0.00 0.00 34.50 30.65 1hdm s PRO 190 CO 0.01 -0.96 -0.08 1.03 0.05 0.00 0.00 177.00 177.05 1hdm s ARG 191 N 3.86 0.56 -1.42 4.56 1.81 -1.26 -4.87 118.95 122.19 1hdm s ARG 191 Ca 0.52 -0.81 -0.06 0.00 -1.72 0.00 0.00 55.73 53.67 1hdm s ARG 191 Cb -0.16 -0.31 0.04 0.00 -0.45 0.00 0.00 34.95 34.07 1hdm s ARG 191 CO 0.19 0.05 0.79 0.09 -0.68 0.00 0.00 175.30 175.74 1hdm n ASN 192 N 1.35 -2.64 -4.68 0.23 3.02 -1.26 -4.95 115.26 106.33 1hdm n ASN 192 Ca -0.22 -0.83 -0.31 0.00 -0.03 0.00 0.00 54.58 53.20 1hdm n ASN 192 Cb 0.55 -3.86 0.15 0.00 -0.61 0.00 0.00 39.78 36.02 1hdm n ASN 192 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hdm s ALA 193 N -3.54 1.44 0.06 5.41 0.00 -1.26 -4.90 121.76 118.97 1hdm s ALA 193 Ca 0.29 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 1hdm s ALA 193 Cb -0.15 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1hdm s ALA 193 CO 0.83 -2.60 0.38 -0.51 0.00 0.00 0.00 175.76 173.86 1hdm s LEU 194 N -6.47 4.36 0.72 0.00 1.02 -0.74 -4.99 118.68 112.58 1hdm s LEU 194 Ca 0.65 0.78 -0.16 0.00 0.02 0.00 0.00 54.13 55.43 1hdm s LEU 194 Cb -0.21 -2.90 0.03 0.00 0.02 0.00 0.00 46.19 43.13 1hdm s LEU 194 CO 0.58 0.20 1.22 -2.84 0.02 0.00 0.00 176.35 175.53 1hdm s PRO 195 N -1.80 2.20 0.00 1.29 0.02 -1.26 -4.58 135.00 130.87 1hdm s PRO 195 Ca 0.31 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1hdm s PRO 195 Cb -0.14 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1hdm s PRO 195 CO 0.17 -1.80 0.37 0.43 -0.33 0.00 0.00 177.00 175.85