#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjh s HIS 5 N 0.00 -0.39 -0.06 -1.84 3.76 -1.26 -5.09 115.29 110.42 1sjh s HIS 5 Ca 0.00 0.95 0.01 0.00 -0.15 0.00 0.00 55.06 55.87 1sjh s HIS 5 Cb 0.00 0.13 0.02 0.00 1.11 0.00 0.00 32.58 33.85 1sjh s HIS 5 CO 0.00 -0.19 -0.05 0.08 -0.85 0.00 0.00 174.74 173.73 1sjh s VAL 6 N 0.25 0.61 -0.16 -0.90 1.01 -1.26 -5.03 120.40 114.92 1sjh s VAL 6 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1sjh s VAL 6 Cb -0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1sjh s VAL 6 CO -0.00 0.26 -0.11 -0.63 0.00 0.00 0.00 175.10 174.62 1sjh s ILE 7 N 1.17 3.08 -0.07 2.22 1.01 -1.26 -1.51 121.20 125.84 1sjh s ILE 7 Ca -0.07 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1sjh s ILE 7 Cb -0.14 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1sjh s ILE 7 CO -0.01 0.50 -0.22 -0.63 0.00 0.00 0.00 174.94 174.57 1sjh s ILE 8 N 0.76 1.88 -0.37 2.92 1.01 0.39 -4.94 121.20 122.87 1sjh s ILE 8 Ca -0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.54 1sjh s ILE 8 Cb -0.15 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.72 1sjh s ILE 8 CO 0.01 0.52 0.22 -1.58 0.00 0.00 0.00 174.94 174.12 1sjh s GLN 9 N 0.10 3.01 -0.09 2.79 0.74 -1.26 0.66 119.66 125.61 1sjh s GLN 9 Ca -0.10 -0.96 0.04 0.00 0.05 0.00 0.00 55.36 54.39 1sjh s GLN 9 Cb -0.15 -3.77 -0.01 0.00 1.10 0.00 0.00 33.01 30.18 1sjh s GLN 9 CO 0.05 -0.64 -0.21 0.00 -0.55 0.00 0.00 175.29 173.94 1sjh s ALA 10 N 1.61 2.30 0.16 1.58 0.00 0.32 -4.98 121.76 122.75 1sjh s ALA 10 Ca 0.04 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1sjh s ALA 10 Cb -0.19 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 1sjh s ALA 10 CO 0.08 0.33 -0.07 -1.21 0.00 0.00 0.00 175.76 174.88 1sjh s GLU 11 N 0.16 1.10 -0.09 0.00 2.02 -1.26 -1.22 118.70 119.42 1sjh s GLU 11 Ca -0.12 -1.50 -0.30 0.00 0.02 0.00 0.00 54.97 53.08 1sjh s GLU 11 Cb -0.16 -0.56 0.11 0.00 0.10 0.00 0.00 34.13 33.62 1sjh s GLU 11 CO 0.06 0.02 0.93 -0.59 0.02 0.00 0.00 175.26 175.70 1sjh s PHE 12 N -3.39 -0.38 -0.04 1.61 -0.12 -0.71 -4.98 117.98 109.97 1sjh s PHE 12 Ca 0.19 0.50 0.01 0.00 -0.05 0.00 0.00 56.93 57.58 1sjh s PHE 12 Cb 0.04 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1sjh s PHE 12 CO 0.02 -0.45 -0.02 -0.47 -0.05 0.00 0.00 175.22 174.25 1sjh s TYR 13 N -1.97 0.54 -0.16 3.49 5.04 -1.26 -1.68 117.35 121.35 1sjh s TYR 13 Ca 0.00 -0.11 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1sjh s TYR 13 Cb -0.01 -0.54 0.01 0.00 0.35 0.00 0.00 41.96 41.77 1sjh s TYR 13 CO -0.02 -0.16 -0.18 -1.17 -1.34 0.00 0.00 175.55 172.68 1sjh s LEU 14 N 0.95 2.30 0.08 6.97 2.96 0.38 -4.97 118.68 127.34 1sjh s LEU 14 Ca -0.11 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.28 1sjh s LEU 14 Cb -0.14 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1sjh s LEU 14 CO -0.01 0.06 0.13 0.20 -1.32 0.00 0.00 176.35 175.42 1sjh s ASN 15 N 0.92 5.82 0.00 3.68 0.01 -1.26 -0.10 114.94 124.01 1sjh s ASN 15 Ca -0.04 0.08 0.21 0.00 -0.71 0.00 0.00 52.86 52.40 1sjh s ASN 15 Cb -0.15 -1.65 0.75 0.00 0.41 0.00 0.00 41.25 40.61 1sjh s ASN 15 CO -0.03 0.16 1.55 -0.81 -1.51 0.00 0.00 177.10 176.46 1sjh n PRO 16 N 0.35 1.73 0.30 -0.60 -0.04 -1.26 -4.87 135.00 130.61 1sjh n PRO 16 Ca -0.07 -1.10 0.18 0.00 -0.04 0.00 0.00 63.50 62.47 1sjh n PRO 16 Cb 0.52 -1.40 0.94 0.00 -0.04 0.00 0.00 33.50 33.52 1sjh n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1sjh h ASP 17 N 2.22 0.00 -1.87 3.54 5.19 -2.00 -3.46 116.42 120.03 1sjh h ASP 17 Ca 0.00 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 1sjh h ASP 17 Cb 0.49 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1sjh h ASP 17 CO 0.00 0.04 -0.35 0.00 -3.12 0.00 0.00 179.24 175.81 1sjh n GLN 18 N -3.35 -1.08 -2.77 3.56 6.02 0.86 -4.98 117.38 115.64 1sjh n GLN 18 Ca -0.02 0.68 -0.41 0.00 -0.01 0.00 0.00 57.00 57.24 1sjh n GLN 18 Cb 0.16 -4.93 -0.03 0.00 1.02 0.00 0.00 30.24 26.46 1sjh n GLN 18 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1sjh s SER 19 N -2.41 7.33 -0.00 1.08 0.01 -0.91 -4.88 113.70 113.92 1sjh s SER 19 Ca 0.00 1.61 0.04 0.00 1.31 0.00 0.00 55.95 58.91 1sjh s SER 19 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1sjh s SER 19 CO 0.00 -0.20 -0.13 -0.83 0.41 0.00 0.00 173.24 172.48 1sjh s GLY 20 N 0.81 0.68 -0.04 3.44 0.00 -1.26 -0.47 107.32 110.47 1sjh s GLY 20 Ca 0.49 -0.62 -0.08 0.00 0.00 0.00 0.00 44.72 44.51 1sjh s GLY 20 CO 0.27 -0.53 0.20 1.85 0.00 0.00 0.00 173.10 174.88 1sjh s GLU 21 N -0.46 0.38 -0.10 2.90 2.12 -0.68 -4.93 118.70 117.93 1sjh s GLU 21 Ca 0.05 0.00 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 1sjh s GLU 21 Cb -0.06 0.17 0.05 0.00 0.26 0.00 0.00 34.13 34.55 1sjh s GLU 21 CO -0.00 -0.08 0.14 0.12 -0.54 0.00 0.00 175.26 174.90 1sjh s PHE 22 N -0.56 -0.11 0.16 5.30 2.19 -1.26 -1.73 117.98 121.97 1sjh s PHE 22 Ca -0.07 0.40 -0.09 0.00 0.33 0.00 0.00 56.93 57.50 1sjh s PHE 22 Cb -0.04 -0.36 -0.01 0.00 -1.31 0.00 0.00 43.02 41.30 1sjh s PHE 22 CO 0.01 -0.32 0.28 0.00 1.83 0.00 0.00 175.22 177.02 1sjh s MET 23 N 2.26 1.13 0.00 10.12 0.23 -0.36 -1.64 119.30 131.05 1sjh s MET 23 Ca 0.04 -1.13 0.07 0.00 -1.03 0.00 0.00 55.69 53.64 1sjh s MET 23 Cb -0.13 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.52 1sjh s MET 23 CO -0.06 -0.41 -0.22 -0.06 -2.03 0.00 0.00 175.02 172.23 1sjh s PHE 24 N -3.95 2.45 -0.03 3.16 0.40 -0.48 -0.53 117.98 119.00 1sjh s PHE 24 Ca 0.15 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1sjh s PHE 24 Cb 0.03 -1.49 -0.00 0.00 0.51 0.00 0.00 43.02 42.07 1sjh s PHE 24 CO -0.01 0.11 -0.17 0.34 0.70 0.00 0.00 175.22 176.19 1sjh s ASP 25 N -0.97 2.05 -0.24 1.36 -1.08 0.21 -0.93 116.67 117.07 1sjh s ASP 25 Ca 0.12 -0.33 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 1sjh s ASP 25 Cb -0.10 -0.49 0.06 0.00 -1.46 0.00 0.00 42.92 40.92 1sjh s ASP 25 CO 0.01 0.16 -0.09 0.12 0.52 0.00 0.00 175.17 175.89 1sjh s PHE 26 N -0.05 2.83 -1.65 -5.34 5.36 1.00 -0.46 117.98 119.67 1sjh s PHE 26 Ca -0.01 -2.00 -0.15 0.00 -0.96 0.00 0.00 56.93 53.81 1sjh s PHE 26 Cb -0.10 -1.77 0.13 0.00 -0.34 0.00 0.00 43.02 40.93 1sjh s PHE 26 CO 0.01 -0.82 0.73 -0.25 -1.46 0.00 0.00 175.22 173.43 1sjh n ASP 27 N 4.56 -2.83 0.00 6.13 8.00 -0.57 -1.04 116.55 130.80 1sjh n ASP 27 Ca -0.14 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1sjh n ASP 27 Cb 0.44 -2.84 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 1sjh n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sjh n GLY 28 N -1.53 2.31 3.72 0.44 0.00 -1.26 -5.04 105.19 103.82 1sjh n GLY 28 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1sjh n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sjh s ASP 29 N -1.74 5.80 0.19 1.61 1.01 -0.20 -5.03 116.67 118.30 1sjh s ASP 29 Ca 0.00 0.21 -0.30 0.00 0.71 0.00 0.00 52.55 53.17 1sjh s ASP 29 Cb 0.00 -1.90 -0.09 0.00 1.01 0.00 0.00 42.92 41.94 1sjh s ASP 29 CO 0.00 0.28 1.40 -0.70 0.21 0.00 0.00 175.17 176.37 1sjh s GLU 30 N -0.28 4.31 -0.16 8.23 2.12 -1.26 -0.00 118.70 131.66 1sjh s GLU 30 Ca 0.09 2.18 -0.13 0.00 0.36 0.00 0.00 54.97 57.47 1sjh s GLU 30 Cb -0.12 -3.17 -0.23 0.00 0.26 0.00 0.00 34.13 30.87 1sjh s GLU 30 CO 0.01 -0.39 0.28 -0.89 -0.54 0.00 0.00 175.26 173.73 1sjh n ILE 31 N 2.99 1.67 -3.61 -3.70 5.41 -0.11 -4.55 119.36 117.46 1sjh n ILE 31 Ca 0.08 -0.39 -0.01 0.00 1.00 0.00 0.00 62.75 63.43 1sjh n ILE 31 Cb 0.41 -1.86 -0.01 0.00 -0.71 0.00 0.00 39.64 37.47 1sjh n ILE 31 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1sjh s PHE 32 N -2.48 -0.09 0.19 1.39 -0.12 -1.23 -0.85 117.98 114.79 1sjh s PHE 32 Ca -0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 56.93 56.61 1sjh s PHE 32 Cb 0.07 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1sjh s PHE 32 CO 0.69 -0.26 0.14 -3.38 -0.05 0.00 0.00 175.22 172.35 1sjh s HIS 33 N -2.46 1.10 -0.13 3.49 -3.43 -0.88 -1.38 115.29 111.60 1sjh s HIS 33 Ca 0.12 -1.34 -0.02 0.00 -0.80 0.00 0.00 55.06 53.02 1sjh s HIS 33 Cb 0.02 -0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 30.62 1sjh s HIS 33 CO -0.04 -0.64 -0.06 0.08 -2.00 0.00 0.00 174.74 172.08 1sjh s VAL 34 N -4.14 3.71 -0.54 -5.38 1.01 -0.65 -0.75 120.40 113.65 1sjh s VAL 34 Ca 0.37 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1sjh s VAL 34 Cb 0.07 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.89 1sjh s VAL 34 CO 0.11 0.52 1.19 -0.62 0.00 0.00 0.00 175.10 176.31 1sjh s ASP 35 N 0.10 6.49 0.59 3.32 -1.08 0.13 -4.68 116.67 121.53 1sjh s ASP 35 Ca -0.02 0.25 0.38 0.00 -0.52 0.00 0.00 52.55 52.64 1sjh s ASP 35 Cb -0.14 -2.55 1.79 0.00 -1.46 0.00 0.00 42.92 40.56 1sjh s ASP 35 CO 0.03 -1.42 2.13 0.24 0.52 0.00 0.00 175.17 176.67 1sjh h MET 36 N 9.56 0.00 0.06 4.34 2.86 -1.92 0.38 114.93 130.22 1sjh h MET 36 Ca -0.24 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.11 1sjh h MET 36 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1sjh h MET 36 CO 1.17 0.00 -1.57 0.00 1.06 0.00 0.00 176.91 177.57 1sjh h ALA 37 N 2.01 0.32 0.00 6.32 0.00 -1.96 -3.36 119.26 122.58 1sjh h ALA 37 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1sjh h ALA 37 Cb 0.29 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1sjh h ALA 37 CO 0.00 0.96 -0.41 1.63 0.00 0.00 0.00 179.25 181.42 1sjh n LYS 38 N -4.00 0.11 -3.20 0.00 5.02 -1.20 -4.97 118.16 109.91 1sjh n LYS 38 Ca -0.31 0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 55.93 1sjh n LYS 38 Cb 0.85 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 34.32 1sjh n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sjh n LYS 39 N -1.74 -1.70 -3.51 1.97 5.02 0.13 -5.03 118.16 113.31 1sjh n LYS 39 Ca 0.05 1.15 -0.13 0.00 -2.02 0.00 0.00 58.31 57.36 1sjh n LYS 39 Cb 0.37 -5.57 -0.04 0.00 -0.02 0.00 0.00 35.03 29.78 1sjh n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1sjh s GLU 40 N -3.82 1.14 0.11 1.97 -1.05 -0.98 -4.85 118.70 111.22 1sjh s GLU 40 Ca 0.22 -0.30 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 1sjh s GLU 40 Cb -0.04 0.52 -0.06 0.00 -0.44 0.00 0.00 34.13 34.12 1sjh s GLU 40 CO 0.76 -0.45 0.99 0.99 0.95 0.00 0.00 175.26 178.50 1sjh s THR 41 N -2.93 4.45 -0.33 1.83 2.01 -1.26 0.17 115.64 119.59 1sjh s THR 41 Ca -0.03 2.00 0.04 0.00 0.31 0.00 0.00 61.69 64.01 1sjh s THR 41 Cb -0.00 -4.28 0.09 0.00 0.01 0.00 0.00 72.50 68.32 1sjh s THR 41 CO -0.06 0.29 0.03 -0.69 -0.69 0.00 0.00 174.62 173.50 1sjh s VAL 42 N 0.11 2.27 0.18 3.82 1.01 0.07 -4.91 120.40 122.95 1sjh s VAL 42 Ca 0.48 -2.24 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 1sjh s VAL 42 Cb -0.24 -2.63 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 1sjh s VAL 42 CO 0.30 -0.51 1.23 0.26 0.00 0.00 0.00 175.10 176.38 1sjh s TRP 43 N 0.93 3.37 0.20 5.22 0.52 -1.26 -2.08 118.94 125.84 1sjh s TRP 43 Ca 0.08 1.35 -0.10 0.00 0.02 0.00 0.00 56.10 57.45 1sjh s TRP 43 Cb -0.19 -3.49 0.21 0.00 -1.15 0.00 0.00 33.47 28.85 1sjh s TRP 43 CO -0.08 -1.43 1.82 -0.09 0.02 0.00 0.00 176.95 177.19 1sjh h ARG 44 N 5.39 0.68 -5.24 4.98 9.65 -1.23 -3.38 114.38 125.22 1sjh h ARG 44 Ca -0.44 -0.04 -0.67 0.00 -1.10 0.00 0.00 59.98 57.72 1sjh h ARG 44 Cb 1.21 -0.15 -0.32 0.00 -1.39 0.00 0.00 29.97 29.32 1sjh h ARG 44 CO 0.76 0.45 -0.84 -0.51 2.80 0.00 0.00 179.97 182.63 1sjh s LEU 45 N -10.23 2.28 0.29 3.80 1.43 -1.26 -5.04 118.68 109.95 1sjh s LEU 45 Ca -0.13 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1sjh s LEU 45 Cb 0.15 -1.49 0.66 0.00 0.03 0.00 0.00 46.19 45.54 1sjh s LEU 45 CO 0.76 0.11 1.51 1.21 0.23 0.00 0.00 176.35 180.17 1sjh n GLU 46 N 3.87 -0.08 0.24 1.70 0.00 -1.26 -0.93 120.64 124.18 1sjh n GLU 46 Ca -0.19 1.46 0.16 0.00 0.00 0.00 0.00 57.16 58.59 1sjh n GLU 46 Cb 0.52 -2.28 0.75 0.00 0.00 0.00 0.00 31.44 30.43 1sjh n GLU 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1sjh h GLU 47 N 0.00 0.00 -0.81 5.31 9.09 -1.96 -2.79 114.58 123.43 1sjh h GLU 47 Ca 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.94 1sjh h GLU 47 Cb 1.07 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.13 1sjh h GLU 47 CO -0.93 0.00 0.44 0.74 0.05 0.00 0.00 179.01 179.31 1sjh h PHE 48 N 0.00 1.12 0.00 2.06 0.04 -1.44 -1.82 116.94 116.90 1sjh h PHE 48 Ca 0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1sjh h PHE 48 Cb 0.26 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1sjh h PHE 48 CO 0.00 0.78 0.00 0.41 -0.60 0.00 0.00 178.31 178.90 1sjh n GLY 49 N -1.10 -0.77 0.02 -1.45 0.00 -1.05 -0.72 105.19 100.11 1sjh n GLY 49 Ca 0.08 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1sjh n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjh n ARG 50 N -1.99 0.17 -0.01 1.61 1.74 -0.69 -4.14 116.66 113.36 1sjh n ARG 50 Ca -0.01 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1sjh n ARG 50 Cb 0.04 -1.56 -0.12 0.00 -1.02 0.00 0.00 32.46 29.80 1sjh n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1sjh n PHE 51 N -1.78 0.00 -3.95 -1.55 3.72 0.10 -5.05 117.46 108.95 1sjh n PHE 51 Ca 0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.34 1sjh n PHE 51 Cb 0.39 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1sjh n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sjh s ALA 52 N -2.98 -0.36 0.07 4.37 0.00 -0.74 -5.13 121.76 116.99 1sjh s ALA 52 Ca -0.03 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 1sjh s ALA 52 Cb 0.11 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 24.17 1sjh s ALA 52 CO 0.66 -0.91 0.07 -1.54 0.00 0.00 0.00 175.76 174.05 1sjh s SER 53 N -3.05 0.32 -0.08 0.00 1.04 -1.26 -4.47 113.70 106.19 1sjh s SER 53 Ca 0.20 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 1sjh s SER 53 Cb -0.03 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.40 1sjh s SER 53 CO 0.11 -0.67 0.19 0.12 0.98 0.00 0.00 173.24 173.98 1sjh s PHE 54 N -3.90 -0.24 -0.66 5.02 5.36 -1.26 -5.10 117.98 117.20 1sjh s PHE 54 Ca 0.07 0.63 -0.28 0.00 -0.96 0.00 0.00 56.93 56.39 1sjh s PHE 54 Cb 0.07 -0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.76 1sjh s PHE 54 CO -0.10 -0.20 1.26 -1.21 -1.46 0.00 0.00 175.22 173.51 1sjh s GLU 55 N 1.19 3.33 0.34 10.12 2.02 -1.26 -4.71 118.70 129.74 1sjh s GLU 55 Ca -0.09 0.03 0.10 0.00 0.02 0.00 0.00 54.97 55.03 1sjh s GLU 55 Cb -0.11 -4.11 0.88 0.00 0.10 0.00 0.00 34.13 30.89 1sjh s GLU 55 CO -0.07 -1.94 1.78 0.00 0.02 0.00 0.00 175.26 175.05 1sjh h ALA 56 N 9.95 1.87 -0.27 5.21 0.00 -1.93 -1.59 119.26 132.50 1sjh h ALA 56 Ca -0.27 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1sjh h ALA 56 Cb 1.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1sjh h ALA 56 CO 1.23 -0.25 0.31 -0.56 0.00 0.00 0.00 179.25 179.99 1sjh h GLN 57 N 0.62 0.00 0.00 0.00 -0.00 -1.90 0.14 115.11 113.97 1sjh h GLN 57 Ca 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 59.15 1sjh h GLN 57 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.55 1sjh h GLN 57 CO -0.34 0.00 -0.33 0.78 -0.00 0.00 0.00 178.83 178.94 1sjh h GLY 58 N 0.00 0.00 1.76 0.06 0.00 -1.70 -2.08 103.07 101.11 1sjh h GLY 58 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 1sjh h GLY 58 CO -0.00 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 175.67 1sjh h ALA 59 N 1.67 0.51 -0.06 3.60 0.00 -1.13 -2.76 119.26 121.10 1sjh h ALA 59 Ca -0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1sjh h ALA 59 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1sjh h ALA 59 CO 0.04 0.90 -0.55 -0.07 0.00 0.00 0.00 179.25 179.57 1sjh h LEU 60 N 0.12 0.18 -0.10 0.00 -0.00 -1.37 -0.91 115.31 113.23 1sjh h LEU 60 Ca -0.05 -0.10 -0.06 0.00 -0.00 0.00 0.00 57.88 57.68 1sjh h LEU 60 Cb 1.50 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 1sjh h LEU 60 CO 0.14 0.69 -0.18 0.00 -0.00 0.00 0.00 178.44 179.08 1sjh h ALA 61 N 1.31 0.16 -0.54 1.53 0.00 -1.39 -3.03 119.26 117.30 1sjh h ALA 61 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1sjh h ALA 61 Cb 1.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1sjh h ALA 61 CO 0.08 0.09 0.30 -0.91 0.00 0.00 0.00 179.25 178.81 1sjh h ASN 62 N -0.13 0.68 -0.64 0.00 4.21 -1.39 -2.83 115.58 115.48 1sjh h ASN 62 Ca 0.01 -0.09 0.03 0.00 1.21 0.00 0.00 56.30 57.46 1sjh h ASN 62 Cb 0.76 -0.17 -0.04 0.00 -1.12 0.00 0.00 38.32 37.75 1sjh h ASN 62 CO 0.04 0.58 0.42 -0.29 -1.29 0.00 0.00 177.43 176.90 1sjh h ILE 63 N 0.73 1.09 -0.24 2.81 6.09 -1.20 0.13 117.51 126.92 1sjh h ILE 63 Ca 0.19 -0.26 -0.09 0.00 -1.37 0.00 0.00 64.86 63.33 1sjh h ILE 63 Cb 0.05 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 37.59 1sjh h ILE 63 CO -0.03 0.14 -0.25 0.00 -3.07 0.00 0.00 178.15 174.94 1sjh h ALA 64 N 1.63 1.13 -0.11 0.18 0.00 -1.37 -1.02 119.26 119.70 1sjh h ALA 64 Ca 0.26 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1sjh h ALA 64 Cb 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1sjh h ALA 64 CO -0.07 0.55 -0.82 0.28 0.00 0.00 0.00 179.25 179.19 1sjh h VAL 65 N 0.40 1.31 -0.62 0.00 2.07 -0.98 -2.53 116.25 115.90 1sjh h VAL 65 Ca 0.06 -2.08 -0.03 0.00 0.82 0.00 0.00 66.70 65.47 1sjh h VAL 65 Cb 0.65 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1sjh h VAL 65 CO 0.05 0.65 0.26 0.44 0.02 0.00 0.00 177.57 178.98 1sjh h ASP 66 N 0.45 0.82 -0.05 0.57 3.32 -0.44 -0.78 116.42 120.30 1sjh h ASP 66 Ca -0.06 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1sjh h ASP 66 Cb 1.44 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1sjh h ASP 66 CO 0.16 0.73 -0.04 0.50 -1.72 0.00 0.00 179.24 178.87 1sjh h LYS 67 N 0.89 0.11 -0.86 3.56 3.64 -1.18 -1.04 116.57 121.69 1sjh h LYS 67 Ca 0.21 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 1sjh h LYS 67 Cb 0.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1sjh h LYS 67 CO -0.02 0.54 0.56 0.00 -2.27 0.00 0.00 179.45 178.26 1sjh h ALA 68 N 0.57 1.75 -0.11 5.00 0.00 -1.21 -0.40 119.26 124.86 1sjh h ALA 68 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1sjh h ALA 68 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sjh h ALA 68 CO 0.01 0.05 -0.59 -0.91 0.00 0.00 0.00 179.25 177.81 1sjh h ASN 69 N 0.77 0.40 -0.69 0.00 2.35 -1.00 -2.50 115.58 114.91 1sjh h ASN 69 Ca 0.41 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1sjh h ASN 69 Cb 0.54 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1sjh h ASN 69 CO -0.18 0.90 0.40 0.25 -1.65 0.00 0.00 177.43 177.15 1sjh h LEU 70 N 0.27 0.85 -0.13 1.61 5.85 0.27 -0.17 115.31 123.85 1sjh h LEU 70 Ca -0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1sjh h LEU 70 Cb 1.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1sjh h LEU 70 CO 0.10 0.68 0.06 -0.33 -0.34 0.00 0.00 178.44 178.61 1sjh h GLU 71 N 0.95 0.19 -0.55 1.25 4.39 -1.22 0.23 114.58 119.82 1sjh h GLU 71 Ca 0.25 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.95 1sjh h GLU 71 Cb 0.01 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1sjh h GLU 71 CO -0.04 0.27 0.31 0.82 -1.16 0.00 0.00 179.01 179.20 1sjh h ILE 72 N 0.08 1.01 -0.08 3.13 2.04 -1.16 -1.70 117.51 120.83 1sjh h ILE 72 Ca 0.05 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 1sjh h ILE 72 Cb 0.14 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1sjh h ILE 72 CO -0.00 0.11 -0.65 -0.03 0.00 0.00 0.00 178.15 177.58 1sjh h MET 73 N 0.60 0.31 -0.17 2.37 4.05 -0.83 -0.13 114.93 121.14 1sjh h MET 73 Ca 0.23 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1sjh h MET 73 Cb 0.09 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1sjh h MET 73 CO -0.13 0.85 0.09 1.15 0.23 0.00 0.00 176.91 179.10 1sjh h THR 74 N 0.22 1.11 -0.51 -0.77 2.02 -0.20 -1.49 112.91 113.29 1sjh h THR 74 Ca -0.01 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 1sjh h THR 74 Cb 1.18 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1sjh h THR 74 CO 0.11 0.11 -0.10 0.50 0.37 0.00 0.00 175.52 176.50 1sjh h LYS 75 N 0.16 0.96 0.00 6.66 3.64 -1.25 0.24 116.57 126.99 1sjh h LYS 75 Ca 0.06 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1sjh h LYS 75 Cb 0.09 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1sjh h LYS 75 CO -0.01 1.03 -0.11 -0.09 -2.27 0.00 0.00 179.45 178.00 1sjh h ARG 76 N 0.82 0.00 -0.26 1.90 2.43 -0.73 -1.67 114.38 116.87 1sjh h ARG 76 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1sjh h ARG 76 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1sjh h ARG 76 CO 0.05 0.11 0.00 -1.13 -1.51 0.00 0.00 179.97 177.49 1sjh n SER 77 N -3.60 2.32 -2.36 -3.80 3.41 -0.59 -4.92 113.62 104.09 1sjh n SER 77 Ca -0.02 -1.84 -0.12 0.00 -0.26 0.00 0.00 58.87 56.64 1sjh n SER 77 Cb 0.24 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1sjh n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sjh n ASN 78 N 0.75 -3.44 -3.92 4.04 4.13 -0.63 -3.45 115.26 112.74 1sjh n ASN 78 Ca 0.17 -0.34 -0.25 0.00 1.68 0.00 0.00 54.58 55.84 1sjh n ASN 78 Cb 0.42 -3.17 -0.01 0.00 -1.54 0.00 0.00 39.78 35.48 1sjh n ASN 78 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sjh n TYR 79 N -3.46 -1.73 -2.65 3.10 4.02 0.07 -4.90 117.16 111.60 1sjh n TYR 79 Ca -0.07 0.78 -0.43 0.00 -0.01 0.00 0.00 57.90 58.16 1sjh n TYR 79 Cb 0.56 -3.83 -0.02 0.00 -0.02 0.00 0.00 39.34 36.03 1sjh n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1sjh s THR 80 N -3.83 4.28 0.71 -0.72 2.01 -1.22 -5.01 115.64 111.84 1sjh s THR 80 Ca 0.08 1.15 -0.11 0.00 0.31 0.00 0.00 61.69 63.12 1sjh s THR 80 Cb -0.04 -4.56 0.02 0.00 0.01 0.00 0.00 72.50 67.92 1sjh s THR 80 CO 0.87 -0.95 1.07 -2.16 -0.69 0.00 0.00 174.62 172.76 1sjh s PRO 81 N 4.27 2.82 0.46 4.92 0.04 -1.26 -5.03 135.00 141.23 1sjh s PRO 81 Ca 0.45 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 62.20 1sjh s PRO 81 Cb -0.08 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1sjh s PRO 81 CO 0.30 -1.17 1.04 -1.50 0.04 0.00 0.00 177.00 175.70 1sjh s ILE 82 N -3.06 3.78 -0.21 0.56 2.07 -1.26 -5.02 121.20 118.08 1sjh s ILE 82 Ca 0.58 1.17 -0.20 0.00 -1.41 0.00 0.00 60.65 60.80 1sjh s ILE 82 Cb -0.14 -3.51 -0.03 0.00 0.13 0.00 0.00 42.46 38.91 1sjh s ILE 82 CO 0.55 -0.18 0.59 -0.89 -1.91 0.00 0.00 174.94 173.10 1sjh s THR 83 N -1.91 5.04 0.14 4.00 2.01 -1.26 -5.02 115.64 118.64 1sjh s THR 83 Ca 0.65 1.10 -0.31 0.00 0.31 0.00 0.00 61.69 63.43 1sjh s THR 83 Cb -0.18 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 1sjh s THR 83 CO 0.22 0.12 1.53 0.20 -0.69 0.00 0.00 174.62 176.00 1sjh s ASN 84 N 1.23 6.65 -0.25 3.53 0.01 -1.26 -4.66 114.94 120.18 1sjh s ASN 84 Ca 0.27 2.52 0.03 0.00 -0.71 0.00 0.00 52.86 54.96 1sjh s ASN 84 Cb -0.16 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 38.97 1sjh s ASN 84 CO 0.10 -0.79 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.09 1sjh s VAL 85 N 1.37 2.16 0.61 1.60 1.01 0.95 -4.83 120.40 123.27 1sjh s VAL 85 Ca 0.69 -1.53 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1sjh s VAL 85 Cb -0.41 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1sjh s VAL 85 CO 0.31 0.05 1.20 -2.16 0.00 0.00 0.00 175.10 174.50 1sjh s PRO 86 N 1.13 2.90 0.41 2.72 0.04 -1.26 -1.93 135.00 139.01 1sjh s PRO 86 Ca -0.07 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 1sjh s PRO 86 Cb -0.19 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1sjh s PRO 86 CO -0.06 -1.25 0.87 -1.25 0.04 0.00 0.00 177.00 175.35 1sjh s PRO 87 N -3.42 4.08 -0.21 0.56 0.04 -1.26 -4.53 135.00 130.26 1sjh s PRO 87 Ca 0.77 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 1sjh s PRO 87 Cb -0.30 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1sjh s PRO 87 CO 0.34 -0.01 0.45 -1.21 0.04 0.00 0.00 177.00 176.61 1sjh s GLU 88 N -3.32 4.16 -0.14 4.56 2.02 0.04 -4.89 118.70 121.12 1sjh s GLU 88 Ca 0.58 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.85 1sjh s GLU 88 Cb -0.10 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.56 1sjh s GLU 88 CO 0.19 -0.12 -0.14 0.08 0.02 0.00 0.00 175.26 175.29 1sjh s VAL 89 N 1.56 2.84 -0.01 2.63 1.01 -1.26 -1.02 120.40 126.16 1sjh s VAL 89 Ca 0.21 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1sjh s VAL 89 Cb -0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1sjh s VAL 89 CO 0.09 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 1sjh s THR 90 N 0.60 1.21 -0.11 3.92 2.01 -0.60 -4.98 115.64 117.68 1sjh s THR 90 Ca -0.08 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1sjh s THR 90 Cb -0.16 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.34 1sjh s THR 90 CO 0.03 0.33 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.40 1sjh s VAL 91 N -0.38 2.39 0.19 3.82 1.01 -1.26 -0.04 120.40 126.12 1sjh s VAL 91 Ca 0.06 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 1sjh s VAL 91 Cb -0.06 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1sjh s VAL 91 CO -0.00 0.55 0.42 -0.76 0.00 0.00 0.00 175.10 175.31 1sjh s LEU 92 N 0.38 0.45 0.19 3.92 1.43 -0.39 -4.98 118.68 119.69 1sjh s LEU 92 Ca -0.15 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1sjh s LEU 92 Cb -0.17 1.74 -0.04 0.00 0.03 0.00 0.00 46.19 47.75 1sjh s LEU 92 CO 0.07 -1.00 0.34 0.42 0.23 0.00 0.00 176.35 176.41 1sjh s THR 93 N -3.92 5.27 -2.06 5.49 -4.23 -1.26 0.15 115.64 115.08 1sjh s THR 93 Ca 0.13 -0.67 0.25 0.00 -1.18 0.00 0.00 61.69 60.23 1sjh s THR 93 Cb 0.01 -3.77 0.68 0.00 1.34 0.00 0.00 72.50 70.75 1sjh s THR 93 CO -0.01 -0.19 1.91 -0.46 -0.54 0.00 0.00 174.62 175.34 1sjh n ASN 94 N -0.83 0.25 -3.50 3.99 2.04 -0.82 -4.85 115.26 111.55 1sjh n ASN 94 Ca -0.07 -1.28 -0.11 0.00 -0.44 0.00 0.00 54.58 52.69 1sjh n ASN 94 Cb 0.55 -0.01 -0.03 0.00 -2.53 0.00 0.00 39.78 37.76 1sjh n ASN 94 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1sjh s SER 95 N -1.78 -0.45 -0.24 0.53 1.04 -1.26 -5.06 113.70 106.48 1sjh s SER 95 Ca 0.37 0.17 -0.39 0.00 0.48 0.00 0.00 55.95 56.59 1sjh s SER 95 Cb 0.18 0.43 -0.15 0.00 0.10 0.00 0.00 66.02 66.58 1sjh s SER 95 CO 0.29 -0.64 1.78 -0.81 0.98 0.00 0.00 173.24 174.85 1sjh n PRO 96 N 0.06 1.40 -2.39 4.02 -0.04 -1.26 -4.90 135.00 131.90 1sjh n PRO 96 Ca -0.12 0.51 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 1sjh n PRO 96 Cb 0.61 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.80 1sjh n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sjh s VAL 97 N 3.71 3.42 -0.01 0.52 0.11 -1.26 -5.05 120.40 121.84 1sjh s VAL 97 Ca 0.97 1.34 0.02 0.00 -2.93 0.00 0.00 61.98 61.37 1sjh s VAL 97 Cb -0.98 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.02 1sjh s VAL 97 CO 0.62 0.28 -0.06 -1.61 -3.33 0.00 0.00 175.10 171.01 1sjh s GLU 98 N -1.03 0.56 0.30 1.54 0.41 -1.26 -5.10 118.70 114.12 1sjh s GLU 98 Ca 0.48 -0.20 -0.28 0.00 -0.41 0.00 0.00 54.97 54.57 1sjh s GLU 98 Cb -0.33 -0.56 -0.14 0.00 -1.78 0.00 0.00 34.13 31.33 1sjh s GLU 98 CO 0.41 0.09 0.98 1.28 -0.49 0.00 0.00 175.26 177.53 1sjh n LEU 99 N 3.15 1.71 -0.13 1.80 4.77 -1.26 -1.13 117.00 125.91 1sjh n LEU 99 Ca -0.16 1.16 -0.01 0.00 -0.03 0.00 0.00 56.01 56.97 1sjh n LEU 99 Cb 0.56 -1.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.37 1sjh n LEU 99 CO 0.25 -1.50 -0.01 0.54 -1.33 0.00 0.00 177.39 175.34 1sjh n ARG 100 N 0.68 -1.93 -3.39 3.23 1.74 -0.61 -4.91 116.66 111.46 1sjh n ARG 100 Ca 0.10 0.36 -0.41 0.00 -0.77 0.00 0.00 57.85 57.13 1sjh n ARG 100 Cb 0.33 -4.17 -0.09 0.00 -1.02 0.00 0.00 32.46 27.50 1sjh n ARG 100 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1sjh s GLU 101 N -1.44 3.53 -0.04 5.56 -6.30 -0.28 -4.84 118.70 114.89 1sjh s GLU 101 Ca 0.00 -0.44 -0.39 0.00 -2.50 0.00 0.00 54.97 51.64 1sjh s GLU 101 Cb 0.00 -3.81 -0.18 0.00 0.00 0.00 0.00 34.13 30.14 1sjh s GLU 101 CO 0.00 -0.55 1.32 -2.30 0.02 0.00 0.00 175.26 173.76 1sjh n PRO 102 N 5.40 0.67 -3.86 4.30 -0.02 -1.26 -4.22 135.00 136.01 1sjh n PRO 102 Ca -0.09 0.24 -0.15 0.00 -2.02 0.00 0.00 63.50 61.49 1sjh n PRO 102 Cb 0.49 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 1sjh n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sjh n ASN 103 N 2.67 -1.11 -3.80 2.55 2.85 -0.46 -5.01 115.26 112.95 1sjh n ASN 103 Ca 0.21 -2.82 -0.19 0.00 -0.11 0.00 0.00 54.58 51.68 1sjh n ASN 103 Cb 0.12 2.15 -0.17 0.00 1.24 0.00 0.00 39.78 43.13 1sjh n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1sjh s VAL 104 N -2.90 0.20 0.07 3.44 1.01 -1.26 -0.72 120.40 120.25 1sjh s VAL 104 Ca 0.29 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 1sjh s VAL 104 Cb -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 1sjh s VAL 104 CO 0.21 0.18 0.85 -0.76 0.00 0.00 0.00 175.10 175.57 1sjh s LEU 105 N 1.32 4.47 -0.13 3.92 1.43 0.40 -1.93 118.68 128.15 1sjh s LEU 105 Ca -0.05 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1sjh s LEU 105 Cb -0.13 -3.38 -0.00 0.00 0.03 0.00 0.00 46.19 42.71 1sjh s LEU 105 CO -0.02 -0.02 -0.18 -0.63 0.23 0.00 0.00 176.35 175.73 1sjh s ILE 106 N -0.01 2.55 -0.39 -0.59 1.01 0.39 -1.02 121.20 123.15 1sjh s ILE 106 Ca 0.42 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 1sjh s ILE 106 Cb -0.22 -2.05 0.07 0.00 0.01 0.00 0.00 42.46 40.28 1sjh s ILE 106 CO 0.26 0.53 0.20 0.00 0.00 0.00 0.00 174.94 175.93 1sjh s PHE 108 N 1.38 3.09 -0.36 0.00 5.99 0.94 -2.06 117.98 126.96 1sjh s PHE 108 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 56.93 56.72 1sjh s PHE 108 Cb -0.22 -3.23 0.01 0.00 0.00 0.00 0.00 43.02 39.57 1sjh s PHE 108 CO 0.01 -0.82 0.23 0.42 -0.00 0.00 0.00 175.22 175.07 1sjh s ILE 109 N 2.66 4.98 0.25 3.12 1.01 -0.41 -1.57 121.20 131.23 1sjh s ILE 109 Ca 0.20 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1sjh s ILE 109 Cb -0.15 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1sjh s ILE 109 CO 0.18 -0.13 -0.01 -0.62 0.00 0.00 0.00 174.94 174.35 1sjh s ASP 110 N 1.65 2.04 -1.22 3.58 2.15 -0.19 -0.58 116.67 124.10 1sjh s ASP 110 Ca 0.05 -1.22 -0.17 0.00 0.43 0.00 0.00 52.55 51.63 1sjh s ASP 110 Cb -0.18 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.41 1sjh s ASP 110 CO 0.09 -0.49 0.68 0.29 -0.17 0.00 0.00 175.17 175.57 1sjh n LYS 111 N -0.46 -1.67 -4.09 4.34 5.02 -0.74 -0.78 118.16 119.78 1sjh n LYS 111 Ca -0.05 0.39 -0.08 0.00 -2.02 0.00 0.00 58.31 56.56 1sjh n LYS 111 Cb 0.64 -4.04 -0.10 0.00 -0.02 0.00 0.00 35.03 31.51 1sjh n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1sjh s PHE 112 N -3.61 0.56 -0.18 2.13 -0.12 -1.16 -4.35 117.98 111.25 1sjh s PHE 112 Ca 0.35 -1.07 -0.30 0.00 -0.05 0.00 0.00 56.93 55.86 1sjh s PHE 112 Cb -0.14 -0.39 0.13 0.00 -0.63 0.00 0.00 43.02 42.00 1sjh s PHE 112 CO 0.88 -0.41 1.02 -0.08 -0.05 0.00 0.00 175.22 176.58 1sjh s THR 113 N -3.94 0.00 0.94 -4.49 -1.32 -0.81 -0.80 115.64 105.22 1sjh s THR 113 Ca 0.10 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.46 1sjh s THR 113 Cb 0.08 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.22 1sjh s THR 113 CO -0.08 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.26 1sjh s PRO 114 N -0.97 0.92 -1.06 7.08 0.04 -1.26 -0.03 135.00 139.71 1sjh s PRO 114 Ca -0.01 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.69 1sjh s PRO 114 Cb -0.01 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 1sjh s PRO 114 CO 0.00 -2.48 2.09 -0.35 0.04 0.00 0.00 177.00 176.31 1sjh n PRO 115 N -4.05 2.12 -3.68 0.56 -0.04 -1.26 -4.80 135.00 123.85 1sjh n PRO 115 Ca 0.07 -2.10 -0.13 0.00 -0.04 0.00 0.00 63.50 61.30 1sjh n PRO 115 Cb 0.55 -3.01 -0.13 0.00 -0.04 0.00 0.00 33.50 30.88 1sjh n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sjh s VAL 116 N 4.11 -0.28 0.04 0.52 1.01 -1.26 -5.06 120.40 119.48 1sjh s VAL 116 Ca 0.53 0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.59 1sjh s VAL 116 Cb 0.14 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1sjh s VAL 116 CO 0.02 0.10 0.33 0.68 0.00 0.00 0.00 175.10 176.23 1sjh s VAL 117 N 2.02 0.07 -0.19 2.92 -7.23 -1.26 -4.73 120.40 112.00 1sjh s VAL 117 Ca -0.03 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.55 1sjh s VAL 117 Cb -0.11 -0.91 0.02 0.00 0.56 0.00 0.00 36.38 35.94 1sjh s VAL 117 CO -0.09 -0.33 -0.17 0.21 -0.31 0.00 0.00 175.10 174.41 1sjh s ASN 118 N -1.96 3.41 -0.07 4.85 2.47 -0.88 -4.99 114.94 117.77 1sjh s ASN 118 Ca -0.06 -0.70 0.06 0.00 0.42 0.00 0.00 52.86 52.57 1sjh s ASN 118 Cb -0.01 -1.52 -0.01 0.00 -1.45 0.00 0.00 41.25 38.26 1sjh s ASN 118 CO -0.02 -0.02 -0.25 -0.69 -3.72 0.00 0.00 177.10 172.40 1sjh s VAL 119 N 1.29 2.05 -0.00 -5.21 1.01 -1.26 -0.72 120.40 117.57 1sjh s VAL 119 Ca 0.04 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1sjh s VAL 119 Cb -0.14 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 1sjh s VAL 119 CO -0.11 0.57 -0.04 -0.89 0.00 0.00 0.00 175.10 174.63 1sjh s THR 120 N -0.02 0.29 -0.09 3.92 2.01 -0.29 -4.99 115.64 116.46 1sjh s THR 120 Ca -0.08 -0.22 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1sjh s THR 120 Cb -0.15 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1sjh s THR 120 CO 0.05 0.04 0.15 0.26 -0.69 0.00 0.00 174.62 174.43 1sjh s TRP 121 N -0.18 3.58 -0.07 4.92 0.52 -1.26 -0.11 118.94 126.34 1sjh s TRP 121 Ca 0.00 0.48 0.02 0.00 0.02 0.00 0.00 56.10 56.63 1sjh s TRP 121 Cb -0.02 -1.91 0.01 0.00 -1.15 0.00 0.00 33.47 30.40 1sjh s TRP 121 CO -0.00 0.71 -0.11 -0.51 0.02 0.00 0.00 176.95 177.06 1sjh s LEU 122 N -1.25 1.60 -0.32 2.99 1.43 0.07 -0.67 118.68 122.52 1sjh s LEU 122 Ca 0.18 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1sjh s LEU 122 Cb -0.12 -0.80 0.06 0.00 0.03 0.00 0.00 46.19 45.36 1sjh s LEU 122 CO 0.08 0.02 0.05 -0.60 0.23 0.00 0.00 176.35 176.12 1sjh s ARG 123 N 0.75 2.39 -1.24 1.70 3.52 0.13 -1.13 118.95 125.08 1sjh s ARG 123 Ca -0.13 -1.34 -0.04 0.00 -0.13 0.00 0.00 55.73 54.09 1sjh s ARG 123 Cb -0.16 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1sjh s ARG 123 CO 0.03 -0.70 1.06 0.09 -0.81 0.00 0.00 175.30 174.96 1sjh n ASN 124 N 4.65 -3.86 -0.61 -2.12 3.02 -0.22 -2.38 115.26 113.74 1sjh n ASN 124 Ca -0.11 -0.57 -0.08 0.00 -0.03 0.00 0.00 54.58 53.79 1sjh n ASN 124 Cb 0.43 -4.98 -0.03 0.00 -0.61 0.00 0.00 39.78 34.59 1sjh n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sjh n GLY 125 N -1.49 0.97 3.02 7.41 0.00 -1.26 -5.02 105.19 108.82 1sjh n GLY 125 Ca -0.16 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1sjh n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjh s LYS 126 N -2.48 1.13 0.21 1.61 1.02 -1.00 -5.06 119.74 115.16 1sjh s LYS 126 Ca 0.00 -0.35 -0.32 0.00 0.02 0.00 0.00 55.97 55.31 1sjh s LYS 126 Cb 0.00 -1.03 -0.13 0.00 -0.52 0.00 0.00 37.83 36.15 1sjh s LYS 126 CO 0.00 0.12 1.55 -0.35 -0.92 0.00 0.00 175.35 175.76 1sjh n PRO 127 N 3.32 2.29 -4.63 -1.68 -0.04 -1.26 0.20 135.00 133.20 1sjh n PRO 127 Ca -0.19 0.82 -0.33 0.00 -0.04 0.00 0.00 63.50 63.76 1sjh n PRO 127 Cb 0.54 -2.57 -0.14 0.00 -0.04 0.00 0.00 33.50 31.28 1sjh n PRO 127 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sjh s VAL 128 N 0.53 3.09 -0.06 0.52 1.01 0.15 -4.84 120.40 120.81 1sjh s VAL 128 Ca 0.73 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1sjh s VAL 128 Cb -0.62 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 1sjh s VAL 128 CO 0.42 0.51 -0.02 0.41 0.00 0.00 0.00 175.10 176.42 1sjh n THR 129 N 3.72 0.40 -1.67 3.92 -1.04 -1.26 -4.41 114.28 113.94 1sjh n THR 129 Ca -0.18 -0.20 -0.46 0.00 -2.04 0.00 0.00 64.05 61.17 1sjh n THR 129 Cb 0.52 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 68.19 1sjh n THR 129 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sjh n THR 130 N -2.46 0.01 -0.44 12.58 -2.24 -1.26 -2.82 114.28 117.65 1sjh n THR 130 Ca -0.11 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1sjh n THR 130 Cb 0.66 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1sjh n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjh n GLY 131 N 3.44 0.69 3.79 3.38 0.00 -1.26 -4.82 105.19 110.42 1sjh n GLY 131 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1sjh n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjh s VAL 132 N -2.05 3.72 0.27 1.61 -7.23 -1.13 -4.35 120.40 111.25 1sjh s VAL 132 Ca 0.00 1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 61.31 1sjh s VAL 132 Cb 0.00 -3.52 -0.02 0.00 0.56 0.00 0.00 36.38 33.40 1sjh s VAL 132 CO 0.00 -0.14 0.33 -0.94 -0.31 0.00 0.00 175.10 174.03 1sjh s SER 133 N -1.81 0.58 0.17 4.85 1.04 -0.77 -4.99 113.70 112.78 1sjh s SER 133 Ca 0.64 -1.38 -0.22 0.00 0.48 0.00 0.00 55.95 55.46 1sjh s SER 133 Cb -0.19 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1sjh s SER 133 CO 0.23 -1.07 0.60 -1.83 0.98 0.00 0.00 173.24 172.15 1sjh s GLU 134 N -3.70 1.32 0.55 4.02 -1.05 -1.26 -0.19 118.70 118.39 1sjh s GLU 134 Ca 0.33 -0.53 0.09 0.00 -0.15 0.00 0.00 54.97 54.71 1sjh s GLU 134 Cb 0.02 0.59 0.07 0.00 -0.44 0.00 0.00 34.13 34.37 1sjh s GLU 134 CO 0.16 -0.58 0.72 0.95 0.95 0.00 0.00 175.26 177.46 1sjh s THR 135 N -3.77 2.23 0.34 1.83 -4.23 0.02 -5.00 115.64 107.05 1sjh s THR 135 Ca 0.02 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1sjh s THR 135 Cb -0.01 -2.28 0.07 0.00 1.34 0.00 0.00 72.50 71.61 1sjh s THR 135 CO -0.11 0.00 0.46 1.33 -0.54 0.00 0.00 174.62 175.76 1sjh n VAL 136 N -2.13 0.00 -2.59 2.29 0.24 -1.26 -4.69 118.33 110.18 1sjh n VAL 136 Ca 0.13 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 1sjh n VAL 136 Cb 0.61 -1.39 -0.03 0.00 -1.47 0.00 0.00 33.84 31.56 1sjh n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1sjh s PHE 137 N -1.50 3.52 0.05 6.34 0.08 -1.26 -4.62 117.98 120.59 1sjh s PHE 137 Ca 0.29 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.85 1sjh s PHE 137 Cb -0.01 -3.25 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 1sjh s PHE 137 CO 0.19 -0.57 0.15 -0.51 -0.10 0.00 0.00 175.22 174.38 1sjh s LEU 138 N 1.31 4.11 0.66 -0.37 1.43 0.29 -4.91 118.68 121.18 1sjh s LEU 138 Ca 0.54 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1sjh s LEU 138 Cb -0.24 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1sjh s LEU 138 CO 0.26 0.19 1.05 -2.16 0.23 0.00 0.00 176.35 175.92 1sjh s PRO 139 N -2.33 3.18 0.05 1.29 0.04 -1.26 -1.46 135.00 134.52 1sjh s PRO 139 Ca 0.31 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1sjh s PRO 139 Cb -0.13 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1sjh s PRO 139 CO 0.23 -0.90 -0.05 1.03 0.04 0.00 0.00 177.00 177.35 1sjh s ARG 140 N -4.90 0.53 0.37 4.56 0.52 -1.13 -4.75 118.95 114.15 1sjh s ARG 140 Ca 0.58 -0.92 0.05 0.00 -0.52 0.00 0.00 55.73 54.92 1sjh s ARG 140 Cb -0.13 -0.03 0.73 0.00 0.52 0.00 0.00 34.95 36.04 1sjh s ARG 140 CO 0.51 -0.03 1.99 1.49 0.02 0.00 0.00 175.30 179.28 1sjh h GLU 141 N 3.96 0.73 -0.05 3.54 4.57 -1.99 -0.01 114.58 125.33 1sjh h GLU 141 Ca -0.34 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1sjh h GLU 141 Cb 1.18 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1sjh h GLU 141 CO 0.51 0.48 0.00 -0.40 -1.18 0.00 0.00 179.01 178.42 1sjh n ASP 142 N -4.46 0.33 -0.36 1.04 5.68 -1.26 -4.88 116.55 112.64 1sjh n ASP 142 Ca 0.08 -1.69 -0.05 0.00 -0.50 0.00 0.00 54.79 52.64 1sjh n ASP 142 Cb 0.14 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.07 1sjh n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1sjh n HIS 143 N -0.47 0.00 -2.50 2.11 8.25 -0.02 -5.02 115.22 117.57 1sjh n HIS 143 Ca 0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1sjh n HIS 143 Cb 0.09 -1.35 0.03 0.00 1.12 0.00 0.00 29.99 29.88 1sjh n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sjh n LEU 144 N -0.53 0.00 -4.40 2.41 4.77 -1.26 -4.87 117.00 113.12 1sjh n LEU 144 Ca -0.05 -0.54 -0.20 0.00 -0.03 0.00 0.00 56.01 55.19 1sjh n LEU 144 Cb 0.26 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1sjh n LEU 144 CO 0.07 -0.60 -0.35 -0.36 -1.33 0.00 0.00 177.39 174.82 1sjh s PHE 145 N -0.40 1.83 0.21 -1.77 0.40 0.02 -2.84 117.98 115.44 1sjh s PHE 145 Ca 0.16 -0.79 0.06 0.00 -0.60 0.00 0.00 56.93 55.76 1sjh s PHE 145 Cb -0.01 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.41 1sjh s PHE 145 CO 0.10 0.16 -0.08 1.03 0.70 0.00 0.00 175.22 177.14 1sjh s ARG 146 N -3.78 1.31 -0.16 0.44 0.52 -0.53 -1.80 118.95 114.95 1sjh s ARG 146 Ca 0.30 -1.62 -0.29 0.00 -0.52 0.00 0.00 55.73 53.59 1sjh s ARG 146 Cb 0.05 -0.87 0.10 0.00 0.52 0.00 0.00 34.95 34.75 1sjh s ARG 146 CO 0.11 0.05 0.87 0.21 0.02 0.00 0.00 175.30 176.56 1sjh s LYS 147 N -3.75 0.76 -0.05 3.54 2.20 0.26 -0.55 119.74 122.15 1sjh s LYS 147 Ca 0.24 0.35 0.04 0.00 -0.36 0.00 0.00 55.97 56.24 1sjh s LYS 147 Cb 0.03 0.36 -0.00 0.00 -1.51 0.00 0.00 37.83 36.71 1sjh s LYS 147 CO 0.07 -0.20 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.62 1sjh s PHE 148 N -0.75 1.75 -0.05 4.03 0.40 -1.26 -1.29 117.98 120.80 1sjh s PHE 148 Ca -0.04 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.81 1sjh s PHE 148 Cb -0.02 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 1sjh s PHE 148 CO 0.03 -0.19 -0.20 -1.01 0.70 0.00 0.00 175.22 174.54 1sjh s HIS 149 N 0.11 2.04 0.12 0.36 3.76 -0.88 -0.80 115.29 120.00 1sjh s HIS 149 Ca -0.06 -0.62 0.10 0.00 -0.15 0.00 0.00 55.06 54.34 1sjh s HIS 149 Cb -0.12 -1.36 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 1sjh s HIS 149 CO 0.03 -0.21 -0.26 0.71 -0.85 0.00 0.00 174.74 174.16 1sjh s TYR 150 N 0.01 2.19 -0.27 1.40 1.51 0.74 -0.82 117.35 122.11 1sjh s TYR 150 Ca -0.05 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1sjh s TYR 150 Cb -0.13 -1.20 0.10 0.00 -0.11 0.00 0.00 41.96 40.63 1sjh s TYR 150 CO 0.03 0.30 0.17 -1.17 -1.11 0.00 0.00 175.55 173.77 1sjh s LEU 151 N -1.99 0.30 0.25 -1.29 2.96 -0.19 -1.85 118.68 116.88 1sjh s LEU 151 Ca 0.12 -1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 52.71 1sjh s LEU 151 Cb -0.10 -0.10 -0.09 0.00 0.50 0.00 0.00 46.19 46.40 1sjh s LEU 151 CO 0.05 -0.41 1.29 -2.84 -1.32 0.00 0.00 176.35 173.13 1sjh s PRO 152 N 2.18 4.40 0.23 0.98 0.02 -1.26 -0.46 135.00 141.09 1sjh s PRO 152 Ca 0.08 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 63.07 1sjh s PRO 152 Cb -0.16 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 1sjh s PRO 152 CO -0.31 -0.20 0.42 -0.59 -0.33 0.00 0.00 177.00 175.99 1sjh s PHE 153 N -0.37 0.41 -0.34 6.54 -0.71 0.11 -4.91 117.98 118.71 1sjh s PHE 153 Ca 0.53 -0.76 -0.01 0.00 -1.04 0.00 0.00 56.93 55.65 1sjh s PHE 153 Cb -0.37 0.10 0.08 0.00 -1.21 0.00 0.00 43.02 41.61 1sjh s PHE 153 CO 0.43 -0.92 0.07 -1.17 -1.34 0.00 0.00 175.22 172.29 1sjh s LEU 154 N -3.01 4.45 0.48 -1.99 2.96 -1.26 -1.36 118.68 118.95 1sjh s LEU 154 Ca 0.22 -1.63 -0.21 0.00 -0.22 0.00 0.00 54.13 52.30 1sjh s LEU 154 Cb 0.01 -1.74 -0.10 0.00 0.50 0.00 0.00 46.19 44.85 1sjh s LEU 154 CO 0.07 -0.37 0.66 -2.65 -1.32 0.00 0.00 176.35 172.75 1sjh n PRO 155 N 4.57 0.73 -3.59 0.98 -0.02 -1.26 -4.77 135.00 131.64 1sjh n PRO 155 Ca -0.08 0.27 -0.09 0.00 -2.02 0.00 0.00 63.50 61.59 1sjh n PRO 155 Cb 0.42 -1.73 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1sjh n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sjh s SER 156 N -1.00 -0.32 0.02 2.55 1.04 -1.26 -1.58 113.70 113.15 1sjh s SER 156 Ca 0.66 0.38 0.19 0.00 0.48 0.00 0.00 55.95 57.66 1sjh s SER 156 Cb -0.53 0.31 0.81 0.00 0.10 0.00 0.00 66.02 66.71 1sjh s SER 156 CO 0.56 -0.27 1.61 0.35 0.98 0.00 0.00 173.24 176.47 1sjh n THR 157 N 0.86 0.72 0.01 2.02 -2.24 -1.26 -3.06 114.28 111.33 1sjh n THR 157 Ca -0.09 0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1sjh n THR 157 Cb 0.58 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.81 1sjh n THR 157 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sjh h GLU 158 N 0.00 0.00 -5.85 -0.78 5.08 -1.99 -3.47 114.58 107.58 1sjh h GLU 158 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1sjh h GLU 158 Cb 0.33 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1sjh h GLU 158 CO 0.00 0.59 -0.24 -0.51 -1.00 0.00 0.00 179.01 177.85 1sjh s ASP 159 N -6.21 6.69 0.05 1.42 1.01 -1.17 -4.99 116.67 113.45 1sjh s ASP 159 Ca -0.03 0.82 0.06 0.00 0.71 0.00 0.00 52.55 54.11 1sjh s ASP 159 Cb 0.08 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1sjh s ASP 159 CO 0.82 0.24 -0.17 0.68 0.21 0.00 0.00 175.17 176.96 1sjh s VAL 160 N -0.54 1.32 0.22 -1.27 -7.23 -1.26 -4.46 120.40 107.17 1sjh s VAL 160 Ca 0.22 -1.11 0.09 0.00 -1.81 0.00 0.00 61.98 59.37 1sjh s VAL 160 Cb -0.15 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1sjh s VAL 160 CO 0.10 0.05 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.48 1sjh s TYR 161 N -0.87 1.82 -0.03 2.82 1.51 0.16 -1.05 117.35 121.70 1sjh s TYR 161 Ca 0.03 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1sjh s TYR 161 Cb -0.08 -0.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1sjh s TYR 161 CO 0.02 0.42 0.06 -0.51 -1.11 0.00 0.00 175.55 174.43 1sjh s ASP 162 N -3.33 -0.02 -0.36 2.29 1.01 -0.28 0.94 116.67 116.92 1sjh s ASP 162 Ca 0.24 0.11 -0.11 0.00 0.71 0.00 0.00 52.55 53.49 1sjh s ASP 162 Cb -0.02 0.05 0.02 0.00 1.01 0.00 0.00 42.92 43.98 1sjh s ASP 162 CO 0.08 -0.08 0.21 0.00 0.21 0.00 0.00 175.17 175.59 1sjh s ARG 164 N 1.59 3.72 -0.12 0.00 3.52 0.84 -1.36 118.95 127.15 1sjh s ARG 164 Ca 0.03 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.49 1sjh s ARG 164 Cb -0.19 -3.76 -0.01 0.00 -1.56 0.00 0.00 34.95 29.43 1sjh s ARG 164 CO 0.07 -0.51 -0.17 0.08 -0.81 0.00 0.00 175.30 173.96 1sjh s VAL 165 N 2.21 2.67 -0.06 7.11 1.01 0.15 -1.14 120.40 132.35 1sjh s VAL 165 Ca 0.16 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1sjh s VAL 165 Cb -0.16 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1sjh s VAL 165 CO 0.12 0.54 -0.17 -1.61 0.00 0.00 0.00 175.10 173.97 1sjh s GLU 166 N 0.40 2.55 -0.20 2.72 2.02 0.10 -0.91 118.70 125.39 1sjh s GLU 166 Ca -0.13 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 53.84 1sjh s GLU 166 Cb -0.17 -2.34 0.08 0.00 0.10 0.00 0.00 34.13 31.81 1sjh s GLU 166 CO 0.06 0.54 0.76 -1.58 0.02 0.00 0.00 175.26 175.07 1sjh s HIS 167 N -0.53 -0.69 0.07 1.61 2.46 -1.26 -2.07 115.29 114.88 1sjh s HIS 167 Ca 0.07 1.52 0.22 0.00 0.47 0.00 0.00 55.06 57.34 1sjh s HIS 167 Cb -0.11 0.33 1.17 0.00 -0.13 0.00 0.00 32.58 33.84 1sjh s HIS 167 CO 0.01 -0.43 1.62 -1.49 -2.47 0.00 0.00 174.74 171.98 1sjh h TRP 168 N 4.16 0.00 0.00 3.88 6.55 -1.96 0.19 115.95 128.76 1sjh h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1sjh h TRP 168 Cb 1.16 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.46 1sjh h TRP 168 CO 0.37 0.00 -0.44 0.41 -1.05 0.00 0.00 178.44 177.73 1sjh n GLY 169 N -1.26 -1.43 3.65 1.49 0.00 -1.26 -4.77 105.19 101.62 1sjh n GLY 169 Ca -0.01 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1sjh n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sjh s LEU 170 N -3.86 4.11 0.40 0.99 1.43 0.65 -4.42 118.68 117.98 1sjh s LEU 170 Ca 0.09 0.15 0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1sjh s LEU 170 Cb 0.15 -2.16 0.82 0.00 0.03 0.00 0.00 46.19 45.02 1sjh s LEU 170 CO 0.68 0.03 1.90 0.44 0.23 0.00 0.00 176.35 179.63 1sjh h ASP 171 N 7.59 0.07 -4.64 2.29 3.45 -1.86 -3.44 116.42 119.88 1sjh h ASP 171 Ca -0.37 -0.02 -0.23 0.00 0.43 0.00 0.00 57.03 56.84 1sjh h ASP 171 Cb 1.17 -0.02 -0.16 0.00 -0.56 0.00 0.00 39.33 39.76 1sjh h ASP 171 CO 0.65 0.32 -0.70 -0.70 -1.57 0.00 0.00 179.24 177.24 1sjh s GLU 172 N -4.47 0.78 0.39 3.56 2.56 -1.26 -5.13 118.70 115.12 1sjh s GLU 172 Ca -0.04 -1.23 -0.27 0.00 0.00 0.00 0.00 54.97 53.43 1sjh s GLU 172 Cb 0.15 -0.22 -0.09 0.00 2.00 0.00 0.00 34.13 35.97 1sjh s GLU 172 CO 0.72 -0.01 1.29 -2.14 -0.56 0.00 0.00 175.26 174.56 1sjh s PRO 173 N -3.44 4.08 -0.21 4.30 0.02 -1.26 -4.90 135.00 133.59 1sjh s PRO 173 Ca 0.08 2.13 -0.10 0.00 0.02 0.00 0.00 61.00 63.14 1sjh s PRO 173 Cb 0.03 -2.83 -0.05 0.00 0.02 0.00 0.00 34.50 31.67 1sjh s PRO 173 CO -0.04 -0.39 0.13 -1.17 -0.33 0.00 0.00 177.00 175.20 1sjh s LEU 174 N -2.27 4.14 -0.23 -5.54 2.96 -0.09 -4.92 118.68 112.74 1sjh s LEU 174 Ca 0.55 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1sjh s LEU 174 Cb -0.38 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1sjh s LEU 174 CO 0.49 0.15 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.81 1sjh s LEU 175 N 0.55 2.95 -0.36 -0.68 1.02 -1.26 0.32 118.68 121.22 1sjh s LEU 175 Ca 0.07 -0.82 -0.14 0.00 0.02 0.00 0.00 54.13 53.26 1sjh s LEU 175 Cb -0.12 -1.62 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 1sjh s LEU 175 CO -0.00 -0.09 0.30 -0.54 0.02 0.00 0.00 176.35 176.03 1sjh s LYS 176 N 1.31 3.41 0.42 1.70 -0.14 -0.46 -4.89 119.74 121.10 1sjh s LYS 176 Ca 0.01 -0.64 -0.13 0.00 -1.36 0.00 0.00 55.97 53.85 1sjh s LYS 176 Cb -0.16 -3.84 -0.07 0.00 -1.68 0.00 0.00 37.83 32.08 1sjh s LYS 176 CO -0.06 -0.54 0.83 -1.58 -0.76 0.00 0.00 175.35 173.24 1sjh s HIS 177 N 1.83 3.44 -0.08 3.18 5.65 -1.26 -0.89 115.29 127.17 1sjh s HIS 177 Ca 0.08 1.21 -0.12 0.00 0.25 0.00 0.00 55.06 56.48 1sjh s HIS 177 Cb -0.17 -2.57 0.03 0.00 -1.18 0.00 0.00 32.58 28.69 1sjh s HIS 177 CO 0.11 -0.15 0.29 -0.46 -0.65 0.00 0.00 174.74 173.89 1sjh s TRP 178 N -2.37 -0.27 0.11 3.88 -0.00 0.27 -4.94 118.94 115.62 1sjh s TRP 178 Ca 0.54 0.60 -0.25 0.00 -0.00 0.00 0.00 56.10 56.99 1sjh s TRP 178 Cb -0.10 0.10 0.08 0.00 -0.00 0.00 0.00 33.47 33.54 1sjh s TRP 178 CO 0.28 -0.23 0.67 -1.83 -0.00 0.00 0.00 176.95 175.84 1sjh s GLU 179 N -0.35 1.16 -0.68 5.86 -1.05 -1.26 0.35 118.70 122.73 1sjh s GLU 179 Ca -0.05 -0.38 -0.26 0.00 -0.15 0.00 0.00 54.97 54.14 1sjh s GLU 179 Cb -0.03 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.14 1sjh s GLU 179 CO 0.02 -0.50 2.07 0.12 0.95 0.00 0.00 175.26 177.91 1sjh s PHE 180 N -3.41 1.50 -0.43 4.83 5.36 -1.26 -4.91 117.98 119.66 1sjh s PHE 180 Ca 0.01 1.07 -0.29 0.00 -0.96 0.00 0.00 56.93 56.76 1sjh s PHE 180 Cb -0.01 -3.89 0.02 0.00 -0.34 0.00 0.00 43.02 38.80 1sjh s PHE 180 CO -0.10 -2.12 1.23 -0.51 -1.46 0.00 0.00 175.22 172.25 1sjh s ASP 181 N 9.31 6.57 0.00 6.13 1.01 -1.26 -4.97 116.67 133.46 1sjh s ASP 181 Ca 0.77 0.67 0.00 0.00 0.71 0.00 0.00 52.55 54.70 1sjh s ASP 181 Cb -0.12 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1sjh s ASP 181 CO 0.15 -1.27 0.18 0.00 0.21 0.00 0.00 175.17 174.44