#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5x s GLU 4 N 0.00 3.92 0.11 3.49 2.12 -1.26 -5.09 118.70 122.00 1d5x s GLU 4 Ca 0.00 0.27 0.06 0.00 0.36 0.00 0.00 54.97 55.66 1d5x s GLU 4 Cb 0.00 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 1d5x s GLU 4 CO 0.00 0.59 -0.05 -1.01 -0.54 0.00 0.00 175.26 174.25 1d5x s HIS 5 N -0.68 2.84 -0.03 5.30 3.76 -1.26 -5.08 115.29 120.14 1d5x s HIS 5 Ca 0.21 -0.11 -0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1d5x s HIS 5 Cb -0.15 -1.46 0.03 0.00 1.11 0.00 0.00 32.58 32.11 1d5x s HIS 5 CO 0.10 0.46 0.06 0.54 -0.85 0.00 0.00 174.74 175.05 1d5x s VAL 6 N -1.31 -0.08 -0.15 -0.90 0.11 -1.26 -5.05 120.40 111.76 1d5x s VAL 6 Ca 0.24 0.26 -0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1d5x s VAL 6 Cb -0.11 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1d5x s VAL 6 CO 0.16 0.11 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.28 1d5x s ILE 7 N 1.38 2.95 -0.04 7.04 1.01 -1.26 -1.27 121.20 131.01 1d5x s ILE 7 Ca -0.06 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1d5x s ILE 7 Cb -0.13 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 1d5x s ILE 7 CO -0.04 0.51 -0.16 -0.63 0.00 0.00 0.00 174.94 174.63 1d5x s ILE 8 N 0.65 1.30 -0.51 2.92 1.01 -0.39 -4.97 121.20 121.21 1d5x s ILE 8 Ca -0.07 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1d5x s ILE 8 Cb -0.15 -1.12 0.09 0.00 0.01 0.00 0.00 42.46 41.28 1d5x s ILE 8 CO 0.03 0.38 0.51 -1.58 0.00 0.00 0.00 174.94 174.27 1d5x s GLN 9 N 0.03 3.02 -0.03 2.79 0.74 -1.26 -0.22 119.66 124.73 1d5x s GLN 9 Ca -0.03 -1.32 -0.03 0.00 0.05 0.00 0.00 55.36 54.03 1d5x s GLN 9 Cb -0.11 -4.18 -0.04 0.00 1.10 0.00 0.00 33.01 29.79 1d5x s GLN 9 CO 0.02 -1.20 0.15 0.00 -0.55 0.00 0.00 175.29 173.70 1d5x s ALA 10 N 1.98 3.84 0.21 1.58 0.00 -0.02 -4.98 121.76 124.37 1d5x s ALA 10 Ca 0.07 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.06 1d5x s ALA 10 Cb -0.24 -1.81 0.04 0.00 0.00 0.00 0.00 23.12 21.10 1d5x s ALA 10 CO 0.07 0.71 0.61 -1.83 0.00 0.00 0.00 175.76 175.31 1d5x s GLU 11 N -1.71 1.48 0.07 0.00 -1.05 -1.26 -0.87 118.70 115.37 1d5x s GLU 11 Ca 0.24 -0.80 -0.27 0.00 -0.15 0.00 0.00 54.97 53.99 1d5x s GLU 11 Cb -0.12 0.57 0.08 0.00 -0.44 0.00 0.00 34.13 34.22 1d5x s GLU 11 CO 0.15 -0.65 0.86 -0.59 0.95 0.00 0.00 175.26 175.97 1d5x s PHE 12 N -3.86 -0.31 -0.03 4.83 -0.12 -0.64 -4.95 117.98 112.90 1d5x s PHE 12 Ca 0.08 0.11 -0.01 0.00 -0.05 0.00 0.00 56.93 57.05 1d5x s PHE 12 Cb -0.03 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1d5x s PHE 12 CO -0.02 -0.69 0.06 -0.47 -0.05 0.00 0.00 175.22 174.04 1d5x s TYR 13 N -3.29 -0.04 -0.16 3.49 5.04 -1.26 -2.14 117.35 118.99 1d5x s TYR 13 Ca 0.07 0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.91 1d5x s TYR 13 Cb -0.01 -0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.19 1d5x s TYR 13 CO -0.06 -0.09 -0.19 -1.17 -1.34 0.00 0.00 175.55 172.71 1d5x s LEU 14 N 0.78 2.00 0.02 6.97 2.96 -0.12 -5.00 118.68 126.29 1d5x s LEU 14 Ca -0.06 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 1d5x s LEU 14 Cb -0.09 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1d5x s LEU 14 CO -0.03 0.01 0.14 0.20 -1.32 0.00 0.00 176.35 175.35 1d5x s ASN 15 N 1.21 6.05 0.00 3.68 0.01 -1.26 0.15 114.94 124.78 1d5x s ASN 15 Ca 0.02 0.22 0.28 0.00 -0.71 0.00 0.00 52.86 52.67 1d5x s ASN 15 Cb -0.14 -1.81 1.14 0.00 0.41 0.00 0.00 41.25 40.86 1d5x s ASN 15 CO -0.09 0.23 1.80 -2.65 -1.51 0.00 0.00 177.10 174.88 1d5x n PRO 16 N 0.80 1.49 0.23 -0.60 -0.02 -1.26 -4.87 135.00 130.77 1d5x n PRO 16 Ca -0.10 -0.78 0.17 0.00 -2.02 0.00 0.00 63.50 60.76 1d5x n PRO 16 Cb 0.52 -1.48 0.86 0.00 -0.02 0.00 0.00 33.50 33.37 1d5x n PRO 16 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1d5x h ASP 17 N 1.91 0.00 -5.99 2.55 5.19 -1.99 -3.46 116.42 114.63 1d5x h ASP 17 Ca 0.00 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.00 1d5x h ASP 17 Cb 0.43 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.02 1d5x h ASP 17 CO 0.00 0.00 -0.74 0.00 -3.12 0.00 0.00 179.24 175.38 1d5x n GLN 18 N -3.79 -6.51 -4.26 3.56 6.02 0.12 -4.99 117.38 107.53 1d5x n GLN 18 Ca 0.00 0.73 -0.23 0.00 -0.01 0.00 0.00 57.00 57.49 1d5x n GLN 18 Cb 0.26 -5.65 -0.12 0.00 1.02 0.00 0.00 30.24 25.75 1d5x n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1d5x s SER 19 N -3.67 2.37 0.32 1.08 1.04 -1.19 -4.95 113.70 108.69 1d5x s SER 19 Ca 0.41 -0.68 0.07 0.00 0.48 0.00 0.00 55.95 56.23 1d5x s SER 19 Cb -0.19 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 1d5x s SER 19 CO 0.77 0.03 0.26 -0.83 0.98 0.00 0.00 173.24 174.46 1d5x s GLY 20 N -1.88 2.28 -0.04 7.32 0.00 -1.26 -0.95 107.32 112.79 1d5x s GLY 20 Ca 0.05 -2.02 -0.13 0.00 0.00 0.00 0.00 44.72 42.61 1d5x s GLY 20 CO 0.04 -1.48 0.30 1.85 0.00 0.00 0.00 173.10 173.81 1d5x s GLU 21 N -3.51 0.59 -0.08 2.90 2.12 -0.91 -4.97 118.70 114.84 1d5x s GLU 21 Ca 0.40 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.64 1d5x s GLU 21 Cb 0.03 0.26 0.04 0.00 0.26 0.00 0.00 34.13 34.72 1d5x s GLU 21 CO 0.26 -0.15 0.15 0.12 -0.54 0.00 0.00 175.26 175.10 1d5x s PHE 22 N -0.98 -0.15 0.08 5.30 5.36 -1.26 -1.62 117.98 124.72 1d5x s PHE 22 Ca -0.10 0.56 -0.17 0.00 -0.96 0.00 0.00 56.93 56.25 1d5x s PHE 22 Cb -0.05 -0.28 0.04 0.00 -0.34 0.00 0.00 43.02 42.39 1d5x s PHE 22 CO 0.03 -0.25 0.41 0.00 -1.46 0.00 0.00 175.22 173.95 1d5x s MET 23 N 2.21 1.00 -0.07 10.12 0.23 -0.05 -0.61 119.30 132.13 1d5x s MET 23 Ca 0.03 -0.52 -0.00 0.00 -1.03 0.00 0.00 55.69 54.16 1d5x s MET 23 Cb -0.12 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 1d5x s MET 23 CO -0.05 -0.37 -0.04 -0.06 -2.03 0.00 0.00 175.02 172.47 1d5x s PHE 24 N -3.11 3.02 -0.02 3.16 0.40 0.18 -0.85 117.98 120.78 1d5x s PHE 24 Ca -0.01 0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 1d5x s PHE 24 Cb 0.00 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 1d5x s PHE 24 CO -0.07 0.39 -0.20 0.34 0.70 0.00 0.00 175.22 176.38 1d5x s ASP 25 N -0.89 2.34 -0.17 1.36 -1.08 0.69 -0.70 116.67 118.22 1d5x s ASP 25 Ca 0.13 -0.36 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 1d5x s ASP 25 Cb -0.11 -0.29 0.03 0.00 -1.46 0.00 0.00 42.92 41.09 1d5x s ASP 25 CO 0.02 0.24 -0.12 0.12 0.52 0.00 0.00 175.17 175.96 1d5x s PHE 26 N -0.43 2.22 -1.70 -5.34 5.36 0.63 -1.27 117.98 117.45 1d5x s PHE 26 Ca 0.07 -1.36 -0.15 0.00 -0.96 0.00 0.00 56.93 54.53 1d5x s PHE 26 Cb -0.08 -1.58 0.14 0.00 -0.34 0.00 0.00 43.02 41.16 1d5x s PHE 26 CO -0.01 -0.69 0.61 -0.25 -1.46 0.00 0.00 175.22 173.42 1d5x n ASP 27 N 4.75 -2.09 0.00 6.13 8.00 -0.39 -0.84 116.55 132.10 1d5x n ASP 27 Ca -0.15 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1d5x n ASP 27 Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.20 1d5x n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d5x n GLY 28 N -1.52 1.49 3.83 0.44 0.00 -1.26 -5.05 105.19 103.11 1d5x n GLY 28 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1d5x n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d5x s ASP 29 N -2.73 5.77 -0.15 1.61 1.01 -0.02 -5.01 116.67 117.17 1d5x s ASP 29 Ca 0.00 0.04 -0.25 0.00 0.71 0.00 0.00 52.55 53.05 1d5x s ASP 29 Cb 0.00 -1.61 -0.02 0.00 1.01 0.00 0.00 42.92 42.30 1d5x s ASP 29 CO 0.00 0.14 0.80 -0.70 0.21 0.00 0.00 175.17 175.62 1d5x s GLU 30 N -2.65 4.33 -0.05 8.23 2.12 -1.26 -0.27 118.70 129.14 1d5x s GLU 30 Ca 0.31 0.99 -0.17 0.00 0.36 0.00 0.00 54.97 56.46 1d5x s GLU 30 Cb -0.12 -3.55 -0.31 0.00 0.26 0.00 0.00 34.13 30.42 1d5x s GLU 30 CO 0.24 -0.25 0.77 0.82 -0.54 0.00 0.00 175.26 176.30 1d5x h ILE 31 N 5.10 1.24 -1.33 -3.70 2.04 -1.26 -3.41 117.51 116.20 1d5x h ILE 31 Ca -0.32 -2.52 0.33 0.00 1.00 0.00 0.00 64.86 63.36 1d5x h ILE 31 Cb 1.15 2.95 -0.14 0.00 -0.74 0.00 0.00 36.82 40.04 1d5x h ILE 31 CO 0.81 0.75 0.87 0.72 0.00 0.00 0.00 178.15 181.31 1d5x s PHE 32 N -2.49 -0.04 0.08 1.37 -0.12 -1.23 -1.17 117.98 114.37 1d5x s PHE 32 Ca -0.15 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.69 1d5x s PHE 32 Cb 0.03 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1d5x s PHE 32 CO 0.83 -0.19 0.01 -3.38 -0.05 0.00 0.00 175.22 172.45 1d5x s HIS 33 N -2.31 0.64 -0.13 3.49 -3.43 -0.94 -0.64 115.29 111.96 1d5x s HIS 33 Ca 0.13 -1.11 -0.06 0.00 -0.80 0.00 0.00 55.06 53.22 1d5x s HIS 33 Cb 0.04 -0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 30.74 1d5x s HIS 33 CO -0.05 -0.44 0.09 0.08 -2.00 0.00 0.00 174.74 172.43 1d5x s VAL 34 N -3.97 5.08 -0.42 -5.38 1.01 0.22 -1.72 120.40 115.23 1d5x s VAL 34 Ca 0.13 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1d5x s VAL 34 Cb 0.08 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1d5x s VAL 34 CO -0.05 0.57 0.59 -0.62 0.00 0.00 0.00 175.10 175.59 1d5x s ASP 35 N -0.58 6.31 0.26 3.32 -1.08 -0.75 -4.60 116.67 119.55 1d5x s ASP 35 Ca 0.12 -0.33 -0.02 0.00 -0.52 0.00 0.00 52.55 51.79 1d5x s ASP 35 Cb -0.12 -2.30 0.34 0.00 -1.46 0.00 0.00 42.92 39.38 1d5x s ASP 35 CO 0.02 -0.70 1.77 0.24 0.52 0.00 0.00 175.17 177.02 1d5x h MET 36 N 8.78 0.81 -0.09 4.34 2.86 -1.94 0.48 114.93 130.16 1d5x h MET 36 Ca -0.26 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.10 1d5x h MET 36 Cb 1.10 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1d5x h MET 36 CO 0.86 0.79 -0.24 0.00 1.06 0.00 0.00 176.91 179.38 1d5x h ALA 37 N 1.27 0.15 -0.00 6.32 0.00 -1.97 -3.30 119.26 121.72 1d5x h ALA 37 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1d5x h ALA 37 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1d5x h ALA 37 CO 0.02 0.13 -0.58 1.63 0.00 0.00 0.00 179.25 180.45 1d5x n LYS 38 N -4.49 0.07 -3.73 0.00 5.02 -1.21 -4.96 118.16 108.85 1d5x n LYS 38 Ca -0.08 -0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 55.94 1d5x n LYS 38 Cb 0.45 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.99 1d5x n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d5x n LYS 39 N -1.42 -5.08 -4.25 1.97 5.02 0.17 -4.98 118.16 109.58 1d5x n LYS 39 Ca 0.06 0.62 -0.20 0.00 -2.02 0.00 0.00 58.31 56.77 1d5x n LYS 39 Cb 0.34 -5.25 -0.12 0.00 -0.02 0.00 0.00 35.03 29.98 1d5x n LYS 39 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1d5x s GLU 40 N -6.09 1.03 -0.29 1.97 2.56 -1.14 -4.58 118.70 112.15 1d5x s GLU 40 Ca 0.13 -1.16 -0.14 0.00 0.00 0.00 0.00 54.97 53.80 1d5x s GLU 40 Cb -0.06 -1.07 -0.03 0.00 2.00 0.00 0.00 34.13 34.96 1d5x s GLU 40 CO 0.81 0.23 0.31 -0.08 -0.56 0.00 0.00 175.26 175.97 1d5x s THR 41 N -1.61 5.22 -0.50 -1.70 -1.32 -1.26 -1.81 115.64 112.65 1d5x s THR 41 Ca 0.06 0.29 -0.20 0.00 -1.21 0.00 0.00 61.69 60.63 1d5x s THR 41 Cb -0.08 -3.68 0.05 0.00 -1.51 0.00 0.00 72.50 67.28 1d5x s THR 41 CO 0.04 0.12 0.68 -0.69 -2.21 0.00 0.00 174.62 172.55 1d5x s VAL 42 N 1.95 4.78 0.23 5.08 1.01 -0.70 -4.99 120.40 127.77 1d5x s VAL 42 Ca 0.11 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1d5x s VAL 42 Cb -0.16 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 1d5x s VAL 42 CO 0.11 -0.82 1.08 0.26 0.00 0.00 0.00 175.10 175.73 1d5x s TRP 43 N 2.90 3.63 0.19 5.22 0.52 -1.26 -2.22 118.94 127.92 1d5x s TRP 43 Ca 0.19 1.68 -0.12 0.00 0.02 0.00 0.00 56.10 57.88 1d5x s TRP 43 Cb -0.17 -3.24 0.12 0.00 -1.15 0.00 0.00 33.47 29.03 1d5x s TRP 43 CO 0.15 -0.45 1.86 -0.09 0.02 0.00 0.00 176.95 178.43 1d5x h ARG 44 N 4.39 0.85 -6.01 4.98 1.12 -1.38 -3.41 114.38 114.93 1d5x h ARG 44 Ca -0.46 -0.05 -0.69 0.00 -1.11 0.00 0.00 59.98 57.68 1d5x h ARG 44 Cb 1.21 -0.19 -0.29 0.00 -0.01 0.00 0.00 29.97 30.69 1d5x h ARG 44 CO 0.69 0.56 -0.84 -0.51 -3.11 0.00 0.00 179.97 176.76 1d5x s LEU 45 N -10.15 2.32 0.23 3.80 1.43 -1.26 -5.04 118.68 110.02 1d5x s LEU 45 Ca -0.13 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1d5x s LEU 45 Cb 0.14 -1.45 0.40 0.00 0.03 0.00 0.00 46.19 45.31 1d5x s LEU 45 CO 0.76 0.26 1.67 -0.33 0.23 0.00 0.00 176.35 178.94 1d5x h GLU 46 N 5.97 0.17 -0.66 1.70 4.39 -1.99 -2.01 114.58 122.16 1d5x h GLU 46 Ca -0.35 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.40 1d5x h GLU 46 Cb 1.17 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 1d5x h GLU 46 CO 0.49 0.11 0.43 1.05 -1.16 0.00 0.00 179.01 179.94 1d5x h GLU 47 N 0.18 0.68 -0.98 2.33 4.11 -1.96 -2.90 114.58 116.03 1d5x h GLU 47 Ca 0.38 -0.04 0.22 0.00 0.07 0.00 0.00 59.36 59.99 1d5x h GLU 47 Cb 0.66 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 1d5x h GLU 47 CO -0.55 0.45 0.62 0.74 0.07 0.00 0.00 179.01 180.34 1d5x h PHE 48 N 0.70 0.80 0.00 2.06 0.05 -1.77 0.64 116.94 119.42 1d5x h PHE 48 Ca 0.28 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 62.09 1d5x h PHE 48 Cb 0.20 -0.24 -0.00 0.00 2.00 0.00 0.00 35.95 37.92 1d5x h PHE 48 CO -0.00 0.16 -0.01 0.78 -0.18 0.00 0.00 178.31 179.06 1d5x h GLY 49 N 0.55 0.00 1.55 -1.45 0.00 -1.67 -2.30 103.07 99.74 1d5x h GLY 49 Ca 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.73 1d5x h GLY 49 CO -0.30 0.00 -0.54 3.21 0.00 0.00 0.00 176.54 178.91 1d5x h ARG 50 N 0.00 0.48 -0.01 4.80 3.08 -1.03 -3.29 114.38 118.42 1d5x h ARG 50 Ca -0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1d5x h ARG 50 Cb 0.32 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1d5x h ARG 50 CO 0.00 0.90 -0.79 1.19 -1.07 0.00 0.00 179.97 180.20 1d5x n PHE 51 N -3.95 0.00 -3.93 3.04 3.72 -1.00 -5.02 117.46 110.32 1d5x n PHE 51 Ca -0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.28 1d5x n PHE 51 Cb 0.59 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 39.09 1d5x n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1d5x s ALA 52 N -2.82 -0.40 0.27 4.37 0.00 -0.90 -5.14 121.76 117.13 1d5x s ALA 52 Ca 0.12 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 1d5x s ALA 52 Cb 0.17 0.93 -0.00 0.00 0.00 0.00 0.00 23.12 24.21 1d5x s ALA 52 CO 0.76 -0.92 0.46 -1.54 0.00 0.00 0.00 175.76 174.51 1d5x s SER 53 N -3.05 0.11 -0.23 0.00 1.04 -1.26 -4.47 113.70 105.84 1d5x s SER 53 Ca 0.19 -1.08 -0.16 0.00 0.48 0.00 0.00 55.95 55.39 1d5x s SER 53 Cb -0.03 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.75 1d5x s SER 53 CO 0.11 -1.16 0.57 0.12 0.98 0.00 0.00 173.24 173.87 1d5x s PHE 54 N -3.79 -0.78 -1.01 5.02 5.36 -1.26 -5.07 117.98 116.44 1d5x s PHE 54 Ca 0.25 1.69 -0.23 0.00 -0.96 0.00 0.00 56.93 57.68 1d5x s PHE 54 Cb -0.00 0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 1d5x s PHE 54 CO 0.11 -0.40 1.85 -2.00 -1.46 0.00 0.00 175.22 173.33 1d5x s GLU 55 N 1.07 2.81 0.44 10.12 -6.30 -1.26 -4.82 118.70 120.76 1d5x s GLU 55 Ca -0.06 -0.75 0.29 0.00 -2.50 0.00 0.00 54.97 51.95 1d5x s GLU 55 Cb -0.06 -5.19 1.38 0.00 0.00 0.00 0.00 34.13 30.26 1d5x s GLU 55 CO -0.10 -3.24 1.67 0.00 0.02 0.00 0.00 175.26 173.60 1d5x h ALA 56 N 10.42 2.71 -0.07 6.30 0.00 -1.93 -2.38 119.26 134.32 1d5x h ALA 56 Ca 0.17 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1d5x h ALA 56 Cb 0.98 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1d5x h ALA 56 CO 1.27 -1.26 -0.65 1.96 0.00 0.00 0.00 179.25 180.56 1d5x h GLN 57 N 0.15 0.28 -0.85 0.00 4.20 -1.88 -3.01 115.11 114.01 1d5x h GLN 57 Ca 0.75 -0.21 0.22 0.00 0.06 0.00 0.00 58.65 59.47 1d5x h GLN 57 Cb 2.36 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 30.14 1d5x h GLN 57 CO -0.33 0.84 0.59 0.78 -0.67 0.00 0.00 178.83 180.03 1d5x h GLY 58 N 1.45 0.35 1.79 3.46 0.00 -1.84 0.89 103.07 109.18 1d5x h GLY 58 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1d5x h GLY 58 CO 0.10 -0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.74 1d5x h ALA 59 N 1.60 1.32 -0.11 3.60 0.00 -1.68 -1.02 119.26 122.97 1d5x h ALA 59 Ca 0.42 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1d5x h ALA 59 Cb 1.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1d5x h ALA 59 CO -0.07 -0.11 -0.37 -0.07 0.00 0.00 0.00 179.25 178.62 1d5x h LEU 60 N 0.00 0.23 -0.61 0.00 3.38 -1.02 -2.49 115.31 114.79 1d5x h LEU 60 Ca 0.02 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1d5x h LEU 60 Cb 0.21 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1d5x h LEU 60 CO -0.00 0.59 0.36 0.00 0.09 0.00 0.00 178.44 179.48 1d5x h ALA 61 N 1.42 0.80 -0.25 1.53 0.00 -1.33 0.21 119.26 121.64 1d5x h ALA 61 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1d5x h ALA 61 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1d5x h ALA 61 CO 0.06 0.07 0.13 -0.91 0.00 0.00 0.00 179.25 178.60 1d5x h ASN 62 N 0.69 0.32 -0.58 0.00 4.21 -1.56 -1.84 115.58 116.83 1d5x h ASN 62 Ca 0.26 -0.11 -0.05 0.00 1.21 0.00 0.00 56.30 57.61 1d5x h ASN 62 Cb 0.08 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 1d5x h ASN 62 CO -0.13 0.34 0.20 0.40 -1.29 0.00 0.00 177.43 176.94 1d5x h ILE 63 N 0.28 1.23 -0.68 2.81 1.08 -1.02 0.12 117.51 121.33 1d5x h ILE 63 Ca 0.09 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 1d5x h ILE 63 Cb 0.10 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 1d5x h ILE 63 CO -0.01 0.31 0.29 0.00 -0.69 0.00 0.00 178.15 178.05 1d5x h ALA 64 N 1.31 1.25 0.05 1.87 0.00 -0.17 -1.02 119.26 122.55 1d5x h ALA 64 Ca 0.20 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1d5x h ALA 64 Cb 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1d5x h ALA 64 CO -0.01 0.56 -1.05 -0.24 0.00 0.00 0.00 179.25 178.51 1d5x h VAL 65 N 0.97 1.43 0.00 0.00 3.04 -0.78 -2.61 116.25 118.30 1d5x h VAL 65 Ca 0.23 -2.66 -0.02 0.00 -1.01 0.00 0.00 66.70 63.24 1d5x h VAL 65 Cb 0.15 2.61 -0.00 0.00 -2.01 0.00 0.00 31.29 32.03 1d5x h VAL 65 CO -0.02 0.79 -0.11 0.44 -1.01 0.00 0.00 177.57 177.65 1d5x h ASP 66 N 0.17 0.00 -0.04 3.17 3.32 -0.12 0.12 116.42 123.04 1d5x h ASP 66 Ca -0.10 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1d5x h ASP 66 Cb 1.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.27 1d5x h ASP 66 CO 0.18 0.11 -0.11 0.50 -1.72 0.00 0.00 179.24 178.20 1d5x h LYS 67 N 0.00 0.15 -0.57 3.56 3.64 -1.11 -2.05 116.57 120.19 1d5x h LYS 67 Ca -0.00 -0.10 0.12 0.00 -1.27 0.00 0.00 60.65 59.39 1d5x h LYS 67 Cb 0.20 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 1d5x h LYS 67 CO 0.01 0.72 -0.02 0.00 -2.27 0.00 0.00 179.45 177.89 1d5x h ALA 68 N 0.43 0.53 -0.12 5.00 0.00 -0.84 -0.53 119.26 123.72 1d5x h ALA 68 Ca -0.00 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1d5x h ALA 68 Cb 0.73 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1d5x h ALA 68 CO 0.02 -0.40 -0.37 -0.91 0.00 0.00 0.00 179.25 177.59 1d5x h ASN 69 N 0.10 0.27 -0.85 0.00 4.21 -0.86 -2.66 115.58 115.78 1d5x h ASN 69 Ca 0.29 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 1d5x h ASN 69 Cb 0.46 -0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.55 1d5x h ASN 69 CO -0.50 0.63 0.51 0.25 -1.29 0.00 0.00 177.43 177.02 1d5x h LEU 70 N 0.22 1.03 0.38 1.61 5.85 -0.37 0.61 115.31 124.65 1d5x h LEU 70 Ca 0.02 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1d5x h LEU 70 Cb 0.77 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1d5x h LEU 70 CO 0.06 0.80 -0.35 -0.33 -0.34 0.00 0.00 178.44 178.28 1d5x h GLU 71 N 1.18 -0.69 -0.18 1.25 4.39 -1.00 0.55 114.58 120.08 1d5x h GLU 71 Ca 0.31 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.11 1d5x h GLU 71 Cb -0.04 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1d5x h GLU 71 CO -0.06 -0.46 -0.22 0.82 -1.16 0.00 0.00 179.01 177.94 1d5x h ILE 72 N -0.72 0.45 -0.48 3.13 5.03 -1.24 -2.36 117.51 121.32 1d5x h ILE 72 Ca -0.05 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.66 1d5x h ILE 72 Cb 0.62 0.45 -0.02 0.00 -3.03 0.00 0.00 36.82 34.84 1d5x h ILE 72 CO -0.03 0.00 0.15 -0.03 -0.68 0.00 0.00 178.15 177.56 1d5x h MET 73 N -0.25 0.70 0.00 2.37 4.05 0.32 -1.34 114.93 120.78 1d5x h MET 73 Ca 0.12 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1d5x h MET 73 Cb 0.42 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1d5x h MET 73 CO -0.32 0.62 -0.01 0.00 0.23 0.00 0.00 176.91 177.42 1d5x h THR 74 N 0.69 0.03 0.00 -0.77 1.03 0.58 -3.03 112.91 111.44 1d5x h THR 74 Ca 0.16 -0.66 -0.26 0.00 -0.01 0.00 0.00 66.41 65.64 1d5x h THR 74 Cb 0.21 1.64 -0.05 0.00 -1.07 0.00 0.00 68.15 68.88 1d5x h THR 74 CO -0.01 0.01 -1.87 1.17 -0.01 0.00 0.00 175.52 174.82 1d5x n LYS 75 N -3.11 0.65 0.20 0.00 4.81 -0.75 -0.59 118.16 119.38 1d5x n LYS 75 Ca 0.01 0.15 0.07 0.00 -0.87 0.00 0.00 58.31 57.67 1d5x n LYS 75 Cb 0.36 -1.69 0.38 0.00 0.02 0.00 0.00 35.03 34.10 1d5x n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1d5x h ARG 76 N 0.00 0.00 -0.17 1.64 3.08 -1.19 -1.91 114.38 115.83 1d5x h ARG 76 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1d5x h ARG 76 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1d5x h ARG 76 CO 0.05 0.32 0.00 -1.13 -1.07 0.00 0.00 179.97 178.13 1d5x n SER 77 N -3.47 2.04 -3.42 7.04 3.41 -1.15 -4.96 113.62 113.11 1d5x n SER 77 Ca -0.00 -1.74 -0.22 0.00 -0.26 0.00 0.00 58.87 56.65 1d5x n SER 77 Cb 0.48 -0.10 0.06 0.00 -0.26 0.00 0.00 64.21 64.39 1d5x n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1d5x n ASN 78 N 0.57 -6.10 -4.08 4.04 3.02 -0.72 -3.62 115.26 108.38 1d5x n ASN 78 Ca 0.17 -0.83 -0.29 0.00 -0.03 0.00 0.00 54.58 53.59 1d5x n ASN 78 Cb 0.40 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.05 1d5x n ASN 78 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1d5x n TYR 79 N -3.62 -1.62 -2.80 3.10 4.02 0.25 -4.92 117.16 111.57 1d5x n TYR 79 Ca -0.08 0.74 -0.43 0.00 -0.01 0.00 0.00 57.90 58.12 1d5x n TYR 79 Cb 0.61 -3.38 -0.04 0.00 -0.02 0.00 0.00 39.34 36.51 1d5x n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1d5x s THR 80 N -3.82 4.44 0.51 -0.72 2.01 -1.24 -5.03 115.64 111.80 1d5x s THR 80 Ca 0.22 0.78 -0.09 0.00 0.31 0.00 0.00 61.69 62.92 1d5x s THR 80 Cb -0.12 -4.46 0.13 0.00 0.01 0.00 0.00 72.50 68.06 1d5x s THR 80 CO 0.92 -0.86 0.48 -0.81 -0.69 0.00 0.00 174.62 173.66 1d5x n PRO 81 N 7.25 -1.74 -3.60 4.92 -0.04 -1.26 -5.02 135.00 135.51 1d5x n PRO 81 Ca 0.07 -0.77 -0.38 0.00 -0.04 0.00 0.00 63.50 62.38 1d5x n PRO 81 Cb 0.49 -0.69 -0.06 0.00 -0.04 0.00 0.00 33.50 33.20 1d5x n PRO 81 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1d5x s ILE 82 N -1.90 5.16 -0.09 0.52 2.07 -1.26 -5.05 121.20 120.64 1d5x s ILE 82 Ca 0.31 0.68 -0.29 0.00 -1.41 0.00 0.00 60.65 59.94 1d5x s ILE 82 Cb -0.03 -3.63 -0.02 0.00 0.13 0.00 0.00 42.46 38.91 1d5x s ILE 82 CO 0.23 0.59 0.95 0.42 -1.91 0.00 0.00 174.94 175.22 1d5x s THR 83 N -1.03 4.84 0.63 4.00 -4.23 -1.26 -5.01 115.64 113.57 1d5x s THR 83 Ca 0.21 1.95 -0.17 0.00 -1.18 0.00 0.00 61.69 62.50 1d5x s THR 83 Cb -0.15 -4.27 -0.01 0.00 1.34 0.00 0.00 72.50 69.40 1d5x s THR 83 CO 0.11 0.06 1.14 0.20 -0.54 0.00 0.00 174.62 175.59 1d5x s ASN 84 N 1.06 5.15 -0.28 3.99 0.01 -1.26 -4.80 114.94 118.81 1d5x s ASN 84 Ca 0.47 2.14 -0.03 0.00 -0.71 0.00 0.00 52.86 54.73 1d5x s ASN 84 Cb -0.19 -2.57 0.11 0.00 0.41 0.00 0.00 41.25 39.01 1d5x s ASN 84 CO 0.19 -1.60 0.19 -0.69 -1.51 0.00 0.00 177.10 173.67 1d5x s VAL 85 N -2.06 -0.19 0.67 1.60 1.01 -0.73 -4.94 120.40 115.76 1d5x s VAL 85 Ca 0.71 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1d5x s VAL 85 Cb -0.24 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1d5x s VAL 85 CO 0.37 -0.60 1.25 -0.81 0.00 0.00 0.00 175.10 175.32 1d5x n PRO 86 N 5.27 0.96 -2.79 2.72 -0.04 -1.26 -2.33 135.00 137.53 1d5x n PRO 86 Ca -0.05 0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 63.47 1d5x n PRO 86 Cb 0.44 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 1d5x n PRO 86 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1d5x s PRO 87 N -3.44 4.11 -0.40 0.54 0.05 -1.26 -4.64 135.00 129.96 1d5x s PRO 87 Ca 0.81 0.98 -0.18 0.00 0.05 0.00 0.00 61.00 62.67 1d5x s PRO 87 Cb -0.37 -2.22 0.01 0.00 0.05 0.00 0.00 34.50 31.97 1d5x s PRO 87 CO 0.42 -0.05 0.46 -1.21 0.05 0.00 0.00 177.00 176.68 1d5x s GLU 88 N -3.36 3.25 -0.11 4.56 0.41 -0.75 -4.92 118.70 117.79 1d5x s GLU 88 Ca 0.60 -0.59 -0.07 0.00 -0.41 0.00 0.00 54.97 54.50 1d5x s GLU 88 Cb -0.09 -3.92 -0.04 0.00 -1.78 0.00 0.00 34.13 28.29 1d5x s GLU 88 CO 0.18 -0.80 0.15 0.08 -0.49 0.00 0.00 175.26 174.38 1d5x s VAL 89 N 2.24 5.48 0.03 2.63 1.01 -1.26 -1.73 120.40 128.81 1d5x s VAL 89 Ca 0.14 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 1d5x s VAL 89 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1d5x s VAL 89 CO 0.14 0.59 -0.03 -0.89 0.00 0.00 0.00 175.10 174.91 1d5x s THR 90 N -1.06 0.15 -0.16 3.92 2.01 -0.68 -4.99 115.64 114.84 1d5x s THR 90 Ca 0.16 -1.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1d5x s THR 90 Cb -0.12 -0.55 0.06 0.00 0.01 0.00 0.00 72.50 71.90 1d5x s THR 90 CO 0.06 -0.61 0.08 -0.69 -0.69 0.00 0.00 174.62 172.77 1d5x s VAL 91 N -2.00 0.01 0.19 3.82 1.01 -1.26 -0.56 120.40 121.62 1d5x s VAL 91 Ca -0.11 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1d5x s VAL 91 Cb -0.06 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1d5x s VAL 91 CO -0.03 -0.21 -0.03 -0.22 0.00 0.00 0.00 175.10 174.62 1d5x s LEU 92 N 2.10 2.26 0.53 3.92 1.98 -1.10 -4.97 118.68 123.40 1d5x s LEU 92 Ca 0.02 -1.16 -0.16 0.00 -2.89 0.00 0.00 54.13 49.94 1d5x s LEU 92 Cb -0.16 -0.23 -0.07 0.00 0.66 0.00 0.00 46.19 46.39 1d5x s LEU 92 CO -0.08 -0.48 1.00 0.28 -1.89 0.00 0.00 176.35 175.18 1d5x s THR 93 N -3.46 4.38 -0.88 3.68 -1.32 -1.26 -2.08 115.64 114.69 1d5x s THR 93 Ca 0.24 1.15 0.20 0.00 -1.21 0.00 0.00 61.69 62.07 1d5x s THR 93 Cb 0.05 -3.65 0.18 0.00 -1.51 0.00 0.00 72.50 67.57 1d5x s THR 93 CO 0.05 -0.64 1.63 -3.20 -2.21 0.00 0.00 174.62 170.26 1d5x n ASN 94 N -1.65 0.19 -3.44 8.08 2.85 0.49 -4.86 115.26 116.91 1d5x n ASN 94 Ca 0.07 0.54 -0.03 0.00 -0.11 0.00 0.00 54.58 55.05 1d5x n ASN 94 Cb 0.54 -0.58 0.01 0.00 1.24 0.00 0.00 39.78 40.99 1d5x n ASN 94 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1d5x s SER 95 N -3.35 -0.03 0.39 1.20 1.04 -1.26 -4.99 113.70 106.70 1d5x s SER 95 Ca 0.08 -0.60 -0.27 0.00 0.48 0.00 0.00 55.95 55.64 1d5x s SER 95 Cb 0.12 0.48 -0.11 0.00 0.10 0.00 0.00 66.02 66.61 1d5x s SER 95 CO 0.37 -0.94 1.40 -2.65 0.98 0.00 0.00 173.24 172.41 1d5x n PRO 96 N -0.66 2.37 -3.19 4.02 -0.02 -1.26 -4.94 135.00 131.32 1d5x n PRO 96 Ca -0.03 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 1d5x n PRO 96 Cb 0.60 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1d5x n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d5x s VAL 97 N -1.14 5.11 -0.01 -1.45 1.01 -1.26 -5.04 120.40 117.63 1d5x s VAL 97 Ca 0.56 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.71 1d5x s VAL 97 Cb -0.50 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1d5x s VAL 97 CO 0.62 0.26 -0.04 -1.61 0.00 0.00 0.00 175.10 174.33 1d5x s GLU 98 N 0.94 0.38 0.38 2.72 8.01 -1.26 -5.12 118.70 124.75 1d5x s GLU 98 Ca 0.30 -0.12 -0.27 0.00 0.01 0.00 0.00 54.97 54.89 1d5x s GLU 98 Cb -0.16 -0.39 -0.11 0.00 -4.31 0.00 0.00 34.13 29.16 1d5x s GLU 98 CO 0.13 0.05 1.37 -0.11 0.01 0.00 0.00 175.26 176.72 1d5x n LEU 99 N 3.19 4.23 -0.82 1.80 7.94 -1.26 -2.01 117.00 130.07 1d5x n LEU 99 Ca -0.15 1.19 -0.10 0.00 -1.11 0.00 0.00 56.01 55.84 1d5x n LEU 99 Cb 0.57 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.93 1d5x n LEU 99 CO 0.25 -0.24 -0.10 -1.14 -1.11 0.00 0.00 177.39 175.05 1d5x n ARG 100 N 0.36 -1.69 -3.96 1.96 0.63 -1.15 -4.92 116.66 107.89 1d5x n ARG 100 Ca 0.04 0.80 -0.34 0.00 -0.92 0.00 0.00 57.85 57.43 1d5x n ARG 100 Cb 0.38 -5.12 -0.14 0.00 0.45 0.00 0.00 32.46 28.03 1d5x n ARG 100 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1d5x s GLU 101 N -2.75 2.24 -0.13 -0.14 2.56 -0.85 -4.98 118.70 114.65 1d5x s GLU 101 Ca 0.00 -1.40 -0.41 0.00 0.00 0.00 0.00 54.97 53.16 1d5x s GLU 101 Cb 0.00 -3.11 -0.19 0.00 2.00 0.00 0.00 34.13 32.83 1d5x s GLU 101 CO 0.00 -0.67 1.35 -2.30 -0.56 0.00 0.00 175.26 173.08 1d5x n PRO 102 N 4.52 0.44 -2.08 4.30 -0.02 -1.26 -4.39 135.00 136.50 1d5x n PRO 102 Ca -0.11 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.52 1d5x n PRO 102 Cb 0.43 -1.72 -0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1d5x n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1d5x n ASN 103 N 2.85 0.11 -3.75 2.55 2.85 -0.38 -5.02 115.26 114.47 1d5x n ASN 103 Ca 0.23 -1.08 -0.16 0.00 -0.11 0.00 0.00 54.58 53.46 1d5x n ASN 103 Cb 0.08 0.06 -0.16 0.00 1.24 0.00 0.00 39.78 41.00 1d5x n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1d5x s VAL 104 N -1.99 -0.07 0.02 3.44 1.01 -1.26 -1.68 120.40 119.87 1d5x s VAL 104 Ca 0.01 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.06 1d5x s VAL 104 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.22 1d5x s VAL 104 CO 0.01 0.11 0.59 -0.76 0.00 0.00 0.00 175.10 175.05 1d5x s LEU 105 N 1.34 4.45 -0.02 3.92 1.43 0.34 -0.38 118.68 129.78 1d5x s LEU 105 Ca -0.06 1.20 0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1d5x s LEU 105 Cb -0.13 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1d5x s LEU 105 CO -0.03 0.16 -0.23 -0.63 0.23 0.00 0.00 176.35 175.85 1d5x s ILE 106 N -0.49 1.80 -0.38 -0.59 1.01 -0.88 -0.28 121.20 121.38 1d5x s ILE 106 Ca 0.30 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1d5x s ILE 106 Cb -0.19 -1.50 0.10 0.00 0.01 0.00 0.00 42.46 40.88 1d5x s ILE 106 CO 0.18 0.51 0.15 0.00 0.00 0.00 0.00 174.94 175.78 1d5x s PHE 108 N 1.11 2.65 -0.25 0.00 5.36 0.28 -2.69 117.98 124.44 1d5x s PHE 108 Ca 0.07 0.20 -0.10 0.00 -0.96 0.00 0.00 56.93 56.14 1d5x s PHE 108 Cb -0.22 -4.36 -0.05 0.00 -0.34 0.00 0.00 43.02 38.06 1d5x s PHE 108 CO -0.04 -1.54 0.15 0.42 -1.46 0.00 0.00 175.22 172.75 1d5x s ILE 109 N 4.62 5.17 0.12 3.12 1.01 -0.13 -1.68 121.20 133.43 1d5x s ILE 109 Ca 0.37 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 1d5x s ILE 109 Cb -0.10 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1d5x s ILE 109 CO 0.22 0.31 0.20 -0.62 0.00 0.00 0.00 174.94 175.06 1d5x s ASP 110 N 1.36 0.13 -1.06 3.58 -1.08 -0.70 0.10 116.67 118.99 1d5x s ASP 110 Ca 0.07 -0.80 -0.11 0.00 -0.52 0.00 0.00 52.55 51.19 1d5x s ASP 110 Cb -0.15 0.36 -0.05 0.00 -1.46 0.00 0.00 42.92 41.63 1d5x s ASP 110 CO 0.07 -0.78 0.87 0.29 0.52 0.00 0.00 175.17 176.13 1d5x n LYS 111 N -0.11 -1.85 -3.93 4.34 5.02 0.15 -1.81 118.16 119.97 1d5x n LYS 111 Ca -0.11 0.76 -0.10 0.00 -2.02 0.00 0.00 58.31 56.84 1d5x n LYS 111 Cb 0.63 -5.22 -0.06 0.00 -0.02 0.00 0.00 35.03 30.36 1d5x n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1d5x s PHE 112 N -3.39 0.32 -0.13 2.13 -0.12 -0.88 -4.41 117.98 111.51 1d5x s PHE 112 Ca 0.44 -0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 56.34 1d5x s PHE 112 Cb -0.09 0.04 0.11 0.00 -0.63 0.00 0.00 43.02 42.45 1d5x s PHE 112 CO 0.78 -0.79 0.91 0.99 -0.05 0.00 0.00 175.22 177.06 1d5x s THR 113 N -3.96 0.00 0.97 -4.49 2.01 -0.98 -1.23 115.64 107.96 1d5x s THR 113 Ca 0.17 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 1d5x s THR 113 Cb 0.02 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.70 1d5x s THR 113 CO 0.01 0.00 1.09 -2.84 -0.69 0.00 0.00 174.62 172.18 1d5x s PRO 114 N -1.19 0.63 -1.40 4.92 0.02 -1.26 -1.78 135.00 134.94 1d5x s PRO 114 Ca -0.04 0.75 -0.14 0.00 0.02 0.00 0.00 61.00 61.60 1d5x s PRO 114 Cb -0.00 -1.74 -0.02 0.00 0.02 0.00 0.00 34.50 32.76 1d5x s PRO 114 CO 0.04 -2.65 2.36 -0.35 -0.33 0.00 0.00 177.00 176.06 1d5x n PRO 115 N -4.16 2.86 -3.76 5.54 -0.04 -1.26 -4.79 135.00 129.39 1d5x n PRO 115 Ca 0.06 -2.37 -0.13 0.00 -0.04 0.00 0.00 63.50 61.02 1d5x n PRO 115 Cb 0.56 -3.10 -0.14 0.00 -0.04 0.00 0.00 33.50 30.78 1d5x n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1d5x s VAL 116 N 3.17 -0.04 -0.11 0.52 1.01 -1.26 -5.02 120.40 118.68 1d5x s VAL 116 Ca 0.53 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 1d5x s VAL 116 Cb 0.15 -0.28 0.10 0.00 0.00 0.00 0.00 36.38 36.35 1d5x s VAL 116 CO -0.06 0.05 0.84 0.54 0.00 0.00 0.00 175.10 176.48 1d5x s VAL 117 N 0.96 0.00 -0.22 2.92 0.11 -1.26 -4.77 120.40 118.14 1d5x s VAL 117 Ca -0.07 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1d5x s VAL 117 Cb -0.09 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1d5x s VAL 117 CO -0.05 0.00 -0.07 0.20 -3.33 0.00 0.00 175.10 171.85 1d5x s ASN 118 N -1.14 4.09 -0.09 3.54 0.01 -0.77 -4.98 114.94 115.60 1d5x s ASN 118 Ca -0.06 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 51.65 1d5x s ASN 118 Cb -0.00 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.97 1d5x s ASN 118 CO 0.06 -0.03 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.73 1d5x s VAL 119 N 1.44 1.76 -0.01 1.60 1.01 -1.26 -0.95 120.40 123.98 1d5x s VAL 119 Ca 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1d5x s VAL 119 Cb -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1d5x s VAL 119 CO -0.05 0.49 -0.06 -0.89 0.00 0.00 0.00 175.10 174.59 1d5x s THR 120 N 0.48 0.54 -0.01 3.92 2.01 -0.03 -4.99 115.64 117.55 1d5x s THR 120 Ca -0.17 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 1d5x s THR 120 Cb -0.17 -0.48 -0.06 0.00 0.01 0.00 0.00 72.50 71.80 1d5x s THR 120 CO 0.07 0.17 0.39 0.26 -0.69 0.00 0.00 174.62 174.82 1d5x s TRP 121 N 0.11 3.71 -0.08 4.92 0.52 -1.26 -0.02 118.94 126.83 1d5x s TRP 121 Ca -0.01 0.96 0.02 0.00 0.02 0.00 0.00 56.10 57.09 1d5x s TRP 121 Cb -0.06 -2.28 0.01 0.00 -1.15 0.00 0.00 33.47 30.00 1d5x s TRP 121 CO -0.00 0.63 -0.14 -0.51 0.02 0.00 0.00 176.95 176.95 1d5x s LEU 122 N -0.99 1.68 -0.23 2.99 1.43 0.87 -2.85 118.68 121.58 1d5x s LEU 122 Ca 0.23 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1d5x s LEU 122 Cb -0.16 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1d5x s LEU 122 CO 0.13 0.03 -0.11 -0.60 0.23 0.00 0.00 176.35 176.03 1d5x s ARG 123 N 0.75 2.74 -1.15 1.70 3.52 0.18 0.18 118.95 126.87 1d5x s ARG 123 Ca -0.12 -1.02 -0.01 0.00 -0.13 0.00 0.00 55.73 54.44 1d5x s ARG 123 Cb -0.16 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1d5x s ARG 123 CO 0.03 -0.39 0.96 0.09 -0.81 0.00 0.00 175.30 175.18 1d5x n ASN 124 N 4.60 -2.63 0.00 -2.12 3.02 0.81 -2.31 115.26 116.63 1d5x n ASN 124 Ca -0.17 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1d5x n ASN 124 Cb 0.47 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 1d5x n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5x n GLY 125 N -1.24 0.46 3.29 7.41 0.00 -1.26 -4.98 105.19 108.88 1d5x n GLY 125 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1d5x n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d5x s LYS 126 N -0.54 1.16 1.00 1.61 -2.85 -0.98 -5.03 119.74 114.12 1d5x s LYS 126 Ca 0.00 -1.32 -0.15 0.00 -1.00 0.00 0.00 55.97 53.51 1d5x s LYS 126 Cb 0.00 -1.16 0.04 0.00 -2.06 0.00 0.00 37.83 34.65 1d5x s LYS 126 CO 0.00 0.24 0.21 -2.30 0.10 0.00 0.00 175.35 173.60 1d5x n PRO 127 N 0.47 -0.65 -3.34 1.78 -0.02 -1.26 0.50 135.00 132.48 1d5x n PRO 127 Ca -0.15 -0.16 -0.12 0.00 -2.02 0.00 0.00 63.50 61.05 1d5x n PRO 127 Cb 0.57 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 1d5x n PRO 127 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1d5x s VAL 128 N -2.33 -0.52 -0.33 -1.45 -7.23 -1.13 -4.62 120.40 102.80 1d5x s VAL 128 Ca 0.55 -0.53 0.10 0.00 -1.81 0.00 0.00 61.98 60.29 1d5x s VAL 128 Cb -0.18 -0.83 0.71 0.00 0.56 0.00 0.00 36.38 36.64 1d5x s VAL 128 CO 0.68 -0.40 1.77 0.41 -0.31 0.00 0.00 175.10 177.25 1d5x n THR 129 N 4.94 2.90 -3.71 5.32 -1.04 -1.26 -4.69 114.28 116.75 1d5x n THR 129 Ca 0.04 -1.78 -0.12 0.00 -2.04 0.00 0.00 64.05 60.15 1d5x n THR 129 Cb 0.48 -0.36 -0.13 0.00 -1.82 0.00 0.00 70.33 68.50 1d5x n THR 129 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1d5x s THR 130 N -3.04 -0.13 0.00 12.58 -1.32 -1.26 -4.81 115.64 117.65 1d5x s THR 130 Ca 0.54 0.17 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 1d5x s THR 130 Cb 0.44 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 1d5x s THR 130 CO 0.12 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1d5x n GLY 131 N 4.50 0.32 3.89 6.08 0.00 -1.26 -5.00 105.19 113.72 1d5x n GLY 131 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1d5x n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d5x s VAL 132 N -2.00 5.05 0.34 1.61 -7.23 -1.26 -4.18 120.40 112.73 1d5x s VAL 132 Ca 0.00 0.16 0.07 0.00 -1.81 0.00 0.00 61.98 60.39 1d5x s VAL 132 Cb 0.00 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1d5x s VAL 132 CO 0.00 -0.10 0.31 -0.94 -0.31 0.00 0.00 175.10 174.05 1d5x s SER 133 N -2.65 1.67 -0.06 4.85 1.04 -1.19 -5.01 113.70 112.36 1d5x s SER 133 Ca 0.44 -1.75 -0.31 0.00 0.48 0.00 0.00 55.95 54.81 1d5x s SER 133 Cb -0.11 0.58 0.11 0.00 0.10 0.00 0.00 66.02 66.70 1d5x s SER 133 CO 0.25 -1.10 1.02 -1.83 0.98 0.00 0.00 173.24 172.56 1d5x s GLU 134 N -3.35 0.64 0.36 4.02 -1.05 -1.26 -2.14 118.70 115.92 1d5x s GLU 134 Ca 0.40 -0.25 0.07 0.00 -0.15 0.00 0.00 54.97 55.04 1d5x s GLU 134 Cb 0.02 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 1d5x s GLU 134 CO 0.28 -0.28 0.43 0.95 0.95 0.00 0.00 175.26 177.59 1d5x s THR 135 N -2.85 3.56 0.00 1.83 -4.23 -0.49 -5.02 115.64 108.43 1d5x s THR 135 Ca 0.07 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1d5x s THR 135 Cb -0.01 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1d5x s THR 135 CO -0.07 -0.11 0.00 1.33 -0.54 0.00 0.00 174.62 175.23 1d5x n VAL 136 N -1.60 0.00 -2.68 2.29 0.24 -1.26 -4.62 118.33 110.69 1d5x n VAL 136 Ca 0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.89 1d5x n VAL 136 Cb 0.59 -1.65 -0.02 0.00 -1.47 0.00 0.00 33.84 31.29 1d5x n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1d5x s PHE 137 N -0.05 3.47 -0.06 6.34 0.40 -1.26 -4.62 117.98 122.20 1d5x s PHE 137 Ca 0.00 1.56 -0.11 0.00 -0.60 0.00 0.00 56.93 57.78 1d5x s PHE 137 Cb 0.00 -3.21 -0.05 0.00 0.51 0.00 0.00 43.02 40.27 1d5x s PHE 137 CO 0.00 -0.29 0.29 -0.51 0.70 0.00 0.00 175.22 175.42 1d5x s LEU 138 N 2.30 4.43 0.55 -0.37 1.43 -0.22 -4.95 118.68 121.85 1d5x s LEU 138 Ca 0.47 0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 54.14 1d5x s LEU 138 Cb -0.17 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 1d5x s LEU 138 CO 0.15 0.35 1.03 -2.16 0.23 0.00 0.00 176.35 175.95 1d5x s PRO 139 N -0.98 3.57 0.29 1.29 0.04 -1.26 -2.19 135.00 135.76 1d5x s PRO 139 Ca 0.20 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.50 1d5x s PRO 139 Cb -0.15 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1d5x s PRO 139 CO 0.09 -0.60 0.03 1.03 0.04 0.00 0.00 177.00 177.59 1d5x s ARG 140 N -3.90 2.30 0.41 4.56 0.52 0.06 -4.81 118.95 118.08 1d5x s ARG 140 Ca 0.63 -1.47 0.07 0.00 -0.52 0.00 0.00 55.73 54.44 1d5x s ARG 140 Cb -0.14 -2.15 0.86 0.00 0.52 0.00 0.00 34.95 34.03 1d5x s ARG 140 CO 0.32 0.29 2.05 1.49 0.02 0.00 0.00 175.30 179.47 1d5x h GLU 141 N 1.80 0.55 -0.04 3.54 4.57 -1.97 -0.73 114.58 122.30 1d5x h GLU 141 Ca -0.44 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1d5x h GLU 141 Cb 1.25 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1d5x h GLU 141 CO 0.62 0.37 0.00 -0.40 -1.18 0.00 0.00 179.01 178.41 1d5x n ASP 142 N -4.47 1.05 0.00 1.04 5.68 -1.26 -4.92 116.55 113.67 1d5x n ASP 142 Ca 0.04 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1d5x n ASP 142 Cb 0.08 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1d5x n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1d5x n HIS 143 N -0.15 0.00 -3.14 2.11 8.25 -0.28 -5.05 115.22 116.96 1d5x n HIS 143 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1d5x n HIS 143 Cb 0.27 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.85 1d5x n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1d5x n LEU 144 N 0.00 0.00 -4.32 2.41 4.77 -1.26 -4.83 117.00 113.77 1d5x n LEU 144 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1d5x n LEU 144 Cb 0.06 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1d5x n LEU 144 CO 0.00 -0.40 -0.34 -0.36 -1.33 0.00 0.00 177.39 174.96 1d5x s PHE 145 N 0.70 1.51 0.05 -1.77 0.40 -0.36 -0.76 117.98 117.74 1d5x s PHE 145 Ca 0.00 -0.91 0.01 0.00 -0.60 0.00 0.00 56.93 55.43 1d5x s PHE 145 Cb 0.00 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.64 1d5x s PHE 145 CO 0.00 -0.04 -0.05 -0.98 0.70 0.00 0.00 175.22 174.85 1d5x s ARG 146 N -3.85 0.58 -0.04 0.44 1.70 -0.93 -0.68 118.95 116.16 1d5x s ARG 146 Ca 0.27 -0.99 -0.11 0.00 -0.47 0.00 0.00 55.73 54.43 1d5x s ARG 146 Cb 0.05 -0.06 0.02 0.00 -0.57 0.00 0.00 34.95 34.40 1d5x s ARG 146 CO 0.08 -0.03 0.26 0.21 -1.08 0.00 0.00 175.30 174.74 1d5x s LYS 147 N -2.71 0.50 -0.07 3.89 2.20 0.29 -1.05 119.74 122.79 1d5x s LYS 147 Ca -0.02 -0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.61 1d5x s LYS 147 Cb -0.02 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 1d5x s LYS 147 CO -0.04 -0.12 -0.20 -0.06 -0.36 0.00 0.00 175.35 174.57 1d5x s PHE 148 N -0.80 2.57 -0.03 4.03 0.40 -1.26 -0.96 117.98 121.93 1d5x s PHE 148 Ca -0.09 -0.58 0.06 0.00 -0.60 0.00 0.00 56.93 55.73 1d5x s PHE 148 Cb -0.05 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 1d5x s PHE 148 CO 0.02 -0.12 -0.21 -1.01 0.70 0.00 0.00 175.22 174.60 1d5x s HIS 149 N -0.20 1.95 0.08 0.36 3.76 -1.09 -1.40 115.29 118.74 1d5x s HIS 149 Ca -0.02 -0.44 0.07 0.00 -0.15 0.00 0.00 55.06 54.53 1d5x s HIS 149 Cb -0.13 -1.27 -0.03 0.00 1.11 0.00 0.00 32.58 32.26 1d5x s HIS 149 CO 0.03 -0.09 -0.19 0.71 -0.85 0.00 0.00 174.74 174.36 1d5x s TYR 150 N -0.34 1.62 -0.19 1.40 1.51 -0.91 -0.63 117.35 119.80 1d5x s TYR 150 Ca 0.04 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1d5x s TYR 150 Cb -0.10 -0.92 0.07 0.00 -0.11 0.00 0.00 41.96 40.91 1d5x s TYR 150 CO 0.00 0.13 0.12 -1.17 -1.11 0.00 0.00 175.55 173.53 1d5x s LEU 151 N -1.62 0.27 0.23 -1.29 2.96 0.61 -3.15 118.68 116.69 1d5x s LEU 151 Ca 0.05 -0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 53.04 1d5x s LEU 151 Cb -0.09 -0.12 -0.09 0.00 0.50 0.00 0.00 46.19 46.39 1d5x s LEU 151 CO 0.03 -0.36 1.20 -2.84 -1.32 0.00 0.00 176.35 173.06 1d5x s PRO 152 N 2.18 4.50 0.23 0.98 0.02 -1.26 0.13 135.00 141.77 1d5x s PRO 152 Ca 0.04 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 62.76 1d5x s PRO 152 Cb -0.16 -3.20 0.04 0.00 0.02 0.00 0.00 34.50 31.20 1d5x s PRO 152 CO -0.13 -0.05 0.67 -0.59 -0.33 0.00 0.00 177.00 176.57 1d5x s PHE 153 N -0.43 -0.34 -0.35 6.54 -0.71 -0.68 -4.90 117.98 117.11 1d5x s PHE 153 Ca 0.51 -0.00 -0.07 0.00 -1.04 0.00 0.00 56.93 56.32 1d5x s PHE 153 Cb -0.34 0.64 0.04 0.00 -1.21 0.00 0.00 43.02 42.16 1d5x s PHE 153 CO 0.40 -1.06 0.13 -0.51 -1.34 0.00 0.00 175.22 172.83 1d5x s LEU 154 N -2.84 4.43 0.55 -1.99 1.43 -1.26 -1.25 118.68 117.75 1d5x s LEU 154 Ca 0.07 -1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 51.80 1d5x s LEU 154 Cb -0.04 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1d5x s LEU 154 CO -0.02 -0.35 1.09 -2.65 0.23 0.00 0.00 176.35 174.66 1d5x n PRO 155 N 4.84 1.21 -3.65 1.29 -0.02 -1.26 -4.88 135.00 132.53 1d5x n PRO 155 Ca -0.12 0.45 -0.03 0.00 -2.02 0.00 0.00 63.50 61.78 1d5x n PRO 155 Cb 0.45 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 1d5x n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1d5x s SER 156 N -1.06 -0.17 0.48 2.55 0.15 -1.26 -2.93 113.70 111.46 1d5x s SER 156 Ca 0.72 0.32 0.19 0.00 0.70 0.00 0.00 55.95 57.89 1d5x s SER 156 Cb -0.44 0.50 1.21 0.00 -1.71 0.00 0.00 66.02 65.58 1d5x s SER 156 CO 0.49 -0.05 1.99 0.71 1.20 0.00 0.00 173.24 177.58 1d5x h THR 157 N 3.64 0.82 -0.63 6.45 1.35 -1.95 -2.23 112.91 120.36 1d5x h THR 157 Ca -0.27 -0.07 0.10 0.00 -0.55 0.00 0.00 66.41 65.61 1d5x h THR 157 Cb 1.19 0.60 -0.04 0.00 -1.73 0.00 0.00 68.15 68.16 1d5x h THR 157 CO 0.17 0.04 0.42 -0.33 -0.25 0.00 0.00 175.52 175.57 1d5x h GLU 158 N 0.20 0.44 -6.13 4.72 5.08 -1.95 -3.44 114.58 113.51 1d5x h GLU 158 Ca 0.26 -0.03 -0.64 0.00 -1.00 0.00 0.00 59.36 57.95 1d5x h GLU 158 Cb 0.75 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.81 1d5x h GLU 158 CO -0.05 0.29 -0.59 -0.51 -1.00 0.00 0.00 179.01 177.16 1d5x s ASP 159 N -6.22 5.62 0.03 1.42 -0.00 -0.84 -5.05 116.67 111.63 1d5x s ASP 159 Ca -0.08 0.04 0.03 0.00 -0.00 0.00 0.00 52.55 52.55 1d5x s ASP 159 Cb 0.20 -1.55 -0.02 0.00 -0.00 0.00 0.00 42.92 41.55 1d5x s ASP 159 CO 0.75 0.19 -0.10 0.68 -0.00 0.00 0.00 175.17 176.69 1d5x s VAL 160 N -1.35 0.78 0.11 -1.27 -7.23 -1.26 -4.56 120.40 105.61 1d5x s VAL 160 Ca 0.28 -0.82 0.07 0.00 -1.81 0.00 0.00 61.98 59.71 1d5x s VAL 160 Cb -0.12 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1d5x s VAL 160 CO 0.21 -0.06 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.45 1d5x s TYR 161 N -0.80 1.59 -0.02 2.82 1.51 -0.17 -0.14 117.35 122.14 1d5x s TYR 161 Ca -0.01 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1d5x s TYR 161 Cb -0.07 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1d5x s TYR 161 CO 0.01 0.19 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.09 1d5x s ASP 162 N -2.15 0.65 -0.37 2.29 1.01 0.13 -1.50 116.67 116.73 1d5x s ASP 162 Ca 0.07 -0.09 -0.12 0.00 0.71 0.00 0.00 52.55 53.13 1d5x s ASP 162 Cb -0.08 -0.23 0.02 0.00 1.01 0.00 0.00 42.92 43.64 1d5x s ASP 162 CO 0.04 -0.02 0.22 0.00 0.21 0.00 0.00 175.17 175.63 1d5x s ARG 164 N 1.60 4.25 -0.04 0.00 3.52 0.96 -2.17 118.95 127.07 1d5x s ARG 164 Ca 0.03 0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.82 1d5x s ARG 164 Cb -0.19 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 1d5x s ARG 164 CO 0.08 0.14 -0.08 0.54 -0.81 0.00 0.00 175.30 175.17 1d5x s VAL 165 N 0.74 0.75 -0.14 7.11 0.11 0.06 -0.85 120.40 128.18 1d5x s VAL 165 Ca 0.18 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1d5x s VAL 165 Cb -0.14 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1d5x s VAL 165 CO 0.06 0.25 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.33 1d5x s GLU 166 N 0.46 3.30 0.05 1.54 2.02 -0.12 -0.81 118.70 125.12 1d5x s GLU 166 Ca -0.07 -0.72 -0.09 0.00 0.02 0.00 0.00 54.97 54.11 1d5x s GLU 166 Cb -0.11 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1d5x s GLU 166 CO 0.01 0.12 0.19 -1.58 0.02 0.00 0.00 175.26 174.02 1d5x s HIS 167 N 0.58 0.07 -0.01 1.61 2.46 -1.26 -1.85 115.29 116.89 1d5x s HIS 167 Ca -0.09 -0.32 0.31 0.00 0.47 0.00 0.00 55.06 55.43 1d5x s HIS 167 Cb -0.16 -0.04 1.13 0.00 -0.13 0.00 0.00 32.58 33.39 1d5x s HIS 167 CO 0.03 -0.44 1.90 -1.49 -2.47 0.00 0.00 174.74 172.27 1d5x h TRP 168 N 3.39 0.00 0.00 3.88 6.55 -1.93 -2.62 115.95 125.22 1d5x h TRP 168 Ca -0.32 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.50 1d5x h TRP 168 Cb 1.19 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.49 1d5x h TRP 168 CO 0.49 0.01 -0.08 0.78 -1.05 0.00 0.00 178.44 178.59 1d5x h GLY 169 N 2.46 0.00 -3.03 1.49 0.00 -1.88 -3.44 103.07 98.68 1d5x h GLY 169 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1d5x h GLY 169 CO 0.00 0.00 0.07 1.08 0.00 0.00 0.00 176.54 177.69 1d5x s LEU 170 N -6.29 4.09 -0.14 3.11 1.43 -0.99 -4.52 118.68 115.38 1d5x s LEU 170 Ca 0.04 1.23 0.17 0.00 -1.03 0.00 0.00 54.13 54.55 1d5x s LEU 170 Cb 0.07 -4.00 0.72 0.00 0.03 0.00 0.00 46.19 43.01 1d5x s LEU 170 CO 0.64 -0.18 1.63 -0.90 0.23 0.00 0.00 176.35 177.78 1d5x n ASP 171 N -0.28 4.87 0.00 2.29 3.85 -1.26 -4.82 116.55 121.20 1d5x n ASP 171 Ca 0.03 -2.59 0.00 0.00 -0.71 0.00 0.00 54.79 51.52 1d5x n ASP 171 Cb 0.53 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 1d5x n ASP 171 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1d5x n GLU 172 N 0.87 0.00 -0.93 0.11 0.28 -1.26 -5.16 120.64 114.54 1d5x n GLU 172 Ca 0.25 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.91 1d5x n GLU 172 Cb 0.95 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.91 1d5x n GLU 172 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1d5x n PRO 173 N -0.02 -0.12 -5.04 3.44 -0.02 -1.26 -4.91 135.00 127.07 1d5x n PRO 173 Ca 0.00 -0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.18 1d5x n PRO 173 Cb 0.00 -1.60 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 1d5x n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1d5x s LEU 174 N 1.66 1.97 -0.31 2.45 2.96 0.01 -4.94 118.68 122.46 1d5x s LEU 174 Ca 0.54 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1d5x s LEU 174 Cb -0.23 -1.20 0.09 0.00 0.50 0.00 0.00 46.19 45.35 1d5x s LEU 174 CO 0.70 0.16 0.01 -0.76 -1.32 0.00 0.00 176.35 175.14 1d5x s LEU 175 N 0.18 4.24 -0.16 -0.68 1.43 -1.26 -0.76 118.68 121.67 1d5x s LEU 175 Ca -0.10 -1.91 -0.20 0.00 -1.03 0.00 0.00 54.13 50.89 1d5x s LEU 175 Cb -0.15 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1d5x s LEU 175 CO 0.05 -0.33 0.57 -0.54 0.23 0.00 0.00 176.35 176.33 1d5x s LYS 176 N 1.00 4.27 0.37 1.70 -0.14 -0.92 -4.90 119.74 121.12 1d5x s LYS 176 Ca 0.05 0.55 -0.04 0.00 -1.36 0.00 0.00 55.97 55.18 1d5x s LYS 176 Cb -0.19 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 1d5x s LYS 176 CO -0.08 -0.07 0.63 -1.58 -0.76 0.00 0.00 175.35 173.50 1d5x s HIS 177 N 1.33 3.51 -0.23 3.18 5.65 -1.26 -1.29 115.29 126.18 1d5x s HIS 177 Ca 0.28 0.64 -0.12 0.00 0.25 0.00 0.00 55.06 56.11 1d5x s HIS 177 Cb -0.16 -2.13 0.08 0.00 -1.18 0.00 0.00 32.58 29.19 1d5x s HIS 177 CO 0.11 0.02 0.55 -0.46 -0.65 0.00 0.00 174.74 174.30 1d5x s TRP 178 N -2.35 -0.88 0.24 3.88 -0.00 -0.56 -4.88 118.94 114.39 1d5x s TRP 178 Ca 0.44 1.76 -0.02 0.00 -0.00 0.00 0.00 56.10 58.28 1d5x s TRP 178 Cb -0.10 0.47 0.01 0.00 -0.00 0.00 0.00 33.47 33.85 1d5x s TRP 178 CO 0.36 -0.46 0.36 -0.85 -0.00 0.00 0.00 176.95 176.35 1d5x n GLU 179 N 4.52 0.52 -4.09 5.86 0.28 -1.26 -1.00 120.64 125.47 1d5x n GLU 179 Ca -0.19 -1.86 -0.34 0.00 -0.16 0.00 0.00 57.16 54.61 1d5x n GLU 179 Cb 0.56 1.85 -0.15 0.00 1.43 0.00 0.00 31.44 35.12 1d5x n GLU 179 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1d5x s PHE 180 N -3.70 2.86 -2.85 -1.84 5.99 -1.26 -5.07 117.98 112.12 1d5x s PHE 180 Ca 0.19 -1.23 0.23 0.00 0.00 0.00 0.00 56.93 56.12 1d5x s PHE 180 Cb -0.01 -2.00 0.18 0.00 0.00 0.00 0.00 43.02 41.19 1d5x s PHE 180 CO 0.13 -0.63 1.22 -0.25 -0.00 0.00 0.00 175.22 175.69