#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sos h THR 2 N 0.00 1.22 -3.81 0.00 2.02 -1.93 -3.39 112.91 107.03 1sos h THR 2 Ca 0.00 -2.94 -0.12 0.00 0.77 0.00 0.00 66.41 64.12 1sos h THR 2 Cb 0.00 2.59 -0.17 0.00 -1.74 0.00 0.00 68.15 68.82 1sos h THR 2 CO 0.00 0.70 -0.52 -0.54 0.37 0.00 0.00 175.52 175.53 1sos s LYS 3 N -2.71 0.60 0.12 6.66 1.02 -1.26 -0.50 119.74 123.67 1sos s LYS 3 Ca -0.01 -0.77 -0.12 0.00 0.02 0.00 0.00 55.97 55.08 1sos s LYS 3 Cb 0.09 0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.65 1sos s LYS 3 CO 0.81 -0.15 0.31 0.00 -0.92 0.00 0.00 175.35 175.40 1sos s ALA 4 N -2.69 -0.54 0.01 5.17 0.00 -0.18 -2.20 121.76 121.32 1sos s ALA 4 Ca -0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1sos s ALA 4 Cb -0.01 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1sos s ALA 4 CO -0.05 -0.60 0.07 0.54 0.00 0.00 0.00 175.76 175.72 1sos s VAL 5 N -3.85 0.08 -0.01 0.00 0.11 0.56 -0.57 120.40 116.72 1sos s VAL 5 Ca 0.05 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 1sos s VAL 5 Cb 0.03 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1sos s VAL 5 CO -0.10 -0.38 -0.03 0.00 -3.33 0.00 0.00 175.10 171.26 1sos s ALA 6 N -1.24 0.29 -0.24 1.54 0.00 -0.68 -1.32 121.76 120.12 1sos s ALA 6 Ca -0.13 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1sos s ALA 6 Cb -0.08 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 22.97 1sos s ALA 6 CO 0.00 0.05 -0.11 0.08 0.00 0.00 0.00 175.76 175.78 1sos s VAL 7 N 0.07 2.41 -0.32 0.00 1.01 -1.26 -1.42 120.40 120.89 1sos s VAL 7 Ca -0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.58 1sos s VAL 7 Cb -0.03 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1sos s VAL 7 CO -0.00 0.20 0.42 -0.76 0.00 0.00 0.00 175.10 174.95 1sos s LEU 8 N 1.23 4.29 0.09 3.92 1.02 -0.13 -3.90 118.68 125.20 1sos s LEU 8 Ca -0.02 -0.00 0.02 0.00 0.02 0.00 0.00 54.13 54.14 1sos s LEU 8 Cb -0.17 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 1sos s LEU 8 CO -0.07 -0.34 -0.07 -0.54 0.02 0.00 0.00 176.35 175.36 1sos s LYS 9 N 2.15 0.78 0.37 1.70 1.02 -0.68 -1.92 119.74 123.16 1sos s LYS 9 Ca 0.15 -1.24 -0.09 0.00 0.02 0.00 0.00 55.97 54.81 1sos s LYS 9 Cb -0.16 -0.20 0.03 0.00 -0.52 0.00 0.00 37.83 36.98 1sos s LYS 9 CO 0.12 -0.01 0.64 0.20 -0.92 0.00 0.00 175.35 175.37 1sos s GLY 10 N -2.80 0.95 -1.31 -3.33 0.00 -1.23 -1.42 107.32 98.18 1sos s GLY 10 Ca 0.08 -1.15 -0.09 0.00 0.00 0.00 0.00 44.72 43.57 1sos s GLY 10 CO -0.04 -0.66 3.00 1.22 0.00 0.00 0.00 173.10 176.62 1sos n ASP 11 N -1.45 8.09 0.00 1.64 8.00 -1.26 -4.74 116.55 126.83 1sos n ASP 11 Ca -0.04 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.82 1sos n ASP 11 Cb 0.61 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1sos n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sos n GLY 12 N 3.12 0.53 0.08 0.44 0.00 -1.26 -5.03 105.19 103.06 1sos n GLY 12 Ca 0.71 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1sos n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sos n PRO 13 N -0.54 0.06 -2.91 1.61 -0.04 -1.26 -4.70 135.00 127.22 1sos n PRO 13 Ca 0.00 0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 63.55 1sos n PRO 13 Cb 0.00 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1sos n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sos s VAL 14 N -3.10 4.97 0.16 0.52 1.01 -1.26 -4.41 120.40 118.29 1sos s VAL 14 Ca -0.01 1.70 -0.18 0.00 0.00 0.00 0.00 61.98 63.48 1sos s VAL 14 Cb 0.02 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1sos s VAL 14 CO 0.08 0.21 0.50 0.00 0.00 0.00 0.00 175.10 175.88 1sos s GLN 15 N 0.93 1.24 0.00 2.72 -2.07 -0.69 -3.47 119.66 118.32 1sos s GLN 15 Ca 0.43 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 53.27 1sos s GLN 15 Cb -0.19 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 1sos s GLN 15 CO 0.22 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 174.08 1sos n GLY 16 N -0.31 -0.81 2.91 2.60 0.00 -0.81 -0.30 105.19 108.47 1sos n GLY 16 Ca -0.14 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 1sos n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sos s ILE 17 N -2.00 0.33 -0.03 -0.61 -1.09 -1.03 -0.96 121.20 115.81 1sos s ILE 17 Ca 0.00 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.33 1sos s ILE 17 Cb 0.00 -0.32 0.00 0.00 -1.58 0.00 0.00 42.46 40.56 1sos s ILE 17 CO 0.00 0.12 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.10 1sos s ILE 18 N 0.24 0.88 -0.05 2.92 -1.09 -0.51 -2.41 121.20 121.18 1sos s ILE 18 Ca -0.02 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1sos s ILE 18 Cb -0.06 -0.77 -0.03 0.00 -1.58 0.00 0.00 42.46 40.02 1sos s ILE 18 CO -0.00 0.27 0.00 0.20 -1.23 0.00 0.00 174.94 174.17 1sos s ASN 19 N 0.12 5.18 0.02 3.58 -0.87 0.14 -1.68 114.94 121.44 1sos s ASN 19 Ca -0.02 0.08 0.08 0.00 -1.57 0.00 0.00 52.86 51.43 1sos s ASN 19 Cb -0.08 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.25 39.71 1sos s ASN 19 CO 0.01 0.34 -0.25 -0.36 -2.57 0.00 0.00 177.10 174.27 1sos s PHE 20 N -0.97 2.37 -0.11 2.20 0.40 0.26 -1.74 117.98 120.40 1sos s PHE 20 Ca 0.16 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 56.05 1sos s PHE 20 Cb -0.11 -1.44 0.05 0.00 0.51 0.00 0.00 43.02 42.02 1sos s PHE 20 CO 0.06 0.11 0.25 -2.00 0.70 0.00 0.00 175.22 174.34 1sos s GLU 21 N -1.09 0.22 -0.53 0.44 2.12 -0.94 -1.01 118.70 117.90 1sos s GLU 21 Ca 0.12 0.53 0.05 0.00 0.36 0.00 0.00 54.97 56.03 1sos s GLU 21 Cb -0.10 -0.10 0.20 0.00 0.26 0.00 0.00 34.13 34.38 1sos s GLU 21 CO 0.02 -0.16 0.49 0.94 -0.54 0.00 0.00 175.26 176.01 1sos n GLN 22 N 4.15 1.16 -1.72 4.30 7.27 0.35 -1.71 117.38 131.18 1sos n GLN 22 Ca -0.24 -3.82 -0.42 0.00 0.07 0.00 0.00 57.00 52.59 1sos n GLN 22 Cb 0.53 -1.87 -0.00 0.00 2.41 0.00 0.00 30.24 31.31 1sos n GLN 22 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1sos n LYS 23 N 1.99 3.03 0.00 3.69 5.02 -1.26 -4.54 118.16 126.09 1sos n LYS 23 Ca 0.25 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 1sos n LYS 23 Cb 0.44 -3.20 0.00 0.00 -0.02 0.00 0.00 35.03 32.25 1sos n LYS 23 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1sos n GLU 24 N 5.58 0.00 -0.07 1.97 2.13 -1.26 -4.99 120.64 124.00 1sos n GLU 24 Ca 0.55 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.45 1sos n GLU 24 Cb 0.37 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.20 1sos n GLU 24 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1sos n SER 25 N 0.00 0.00 -2.69 4.31 7.64 -1.26 -0.36 113.62 121.26 1sos n SER 25 Ca 0.00 0.21 -0.04 0.00 1.01 0.00 0.00 58.87 60.05 1sos n SER 25 Cb 0.00 -0.08 0.12 0.00 -1.01 0.00 0.00 64.21 63.24 1sos n SER 25 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1sos n ASN 26 N -1.89 -1.52 -4.85 6.43 5.15 -1.26 -4.87 115.26 112.45 1sos n ASN 26 Ca 0.07 -2.33 -0.21 0.00 -0.60 0.00 0.00 54.58 51.51 1sos n ASN 26 Cb 0.43 0.78 -0.04 0.00 -0.53 0.00 0.00 39.78 40.42 1sos n ASN 26 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1sos s GLY 27 N -1.28 1.72 0.18 8.20 0.00 0.51 -5.09 107.32 111.56 1sos s GLY 27 Ca 0.16 -1.61 -0.32 0.00 0.00 0.00 0.00 44.72 42.95 1sos s GLY 27 CO -0.11 -1.55 0.97 -1.55 0.00 0.00 0.00 173.10 170.86 1sos n PRO 28 N -1.35 0.78 -4.60 2.90 -0.04 -1.26 -4.87 135.00 126.56 1sos n PRO 28 Ca -0.03 0.28 -0.33 0.00 -0.04 0.00 0.00 63.50 63.38 1sos n PRO 28 Cb 0.59 -1.63 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 1sos n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sos s VAL 29 N -0.53 2.83 0.01 0.52 0.11 -0.39 -4.36 120.40 118.58 1sos s VAL 29 Ca 0.70 -0.72 -0.25 0.00 -2.93 0.00 0.00 61.98 58.78 1sos s VAL 29 Cb -0.89 -2.20 -0.05 0.00 -1.53 0.00 0.00 36.38 31.72 1sos s VAL 29 CO 0.55 0.51 0.76 -0.54 -3.33 0.00 0.00 175.10 173.06 1sos s LYS 30 N 0.68 4.48 -0.16 1.54 1.02 -0.69 -1.26 119.74 125.34 1sos s LYS 30 Ca -0.07 1.04 0.01 0.00 0.02 0.00 0.00 55.97 56.96 1sos s LYS 30 Cb -0.16 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1sos s LYS 30 CO 0.02 0.21 -0.16 0.14 -0.92 0.00 0.00 175.35 174.64 1sos s VAL 31 N 0.24 1.72 0.22 3.17 -7.23 -0.71 -2.22 120.40 115.58 1sos s VAL 31 Ca 0.39 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1sos s VAL 31 Cb -0.20 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 1sos s VAL 31 CO 0.22 0.46 0.05 -1.66 -0.31 0.00 0.00 175.10 173.86 1sos s TRP 32 N 1.42 1.42 -5.00 2.82 -2.14 -0.71 -1.33 118.94 115.43 1sos s TRP 32 Ca 0.05 -1.08 0.00 0.00 2.66 0.00 0.00 56.10 57.73 1sos s TRP 32 Cb -0.13 -0.82 0.00 0.00 -3.10 0.00 0.00 33.47 29.42 1sos s TRP 32 CO -0.11 -0.24 0.00 0.41 -2.66 0.00 0.00 176.95 174.35 1sos n GLY 33 N -0.37 -0.83 3.03 3.67 0.00 -1.10 0.28 105.19 109.87 1sos n GLY 33 Ca -0.03 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 1sos n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sos s SER 34 N -3.25 0.86 -0.01 1.61 0.15 -1.01 -0.37 113.70 111.68 1sos s SER 34 Ca 0.00 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.34 1sos s SER 34 Cb 0.00 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1sos s SER 34 CO 0.00 -0.05 -0.10 -0.63 1.20 0.00 0.00 173.24 173.66 1sos s ILE 35 N -0.75 0.79 0.14 6.45 1.01 0.50 -2.46 121.20 126.87 1sos s ILE 35 Ca -0.03 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1sos s ILE 35 Cb -0.06 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1sos s ILE 35 CO 0.00 0.23 -0.12 -1.59 0.00 0.00 0.00 174.94 173.46 1sos s LYS 36 N -0.17 1.05 0.00 2.79 0.00 0.58 -0.31 119.74 123.69 1sos s LYS 36 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 55.97 54.66 1sos s LYS 36 Cb -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 37.83 37.00 1sos s LYS 36 CO -0.00 0.13 0.00 0.41 0.00 0.00 0.00 175.35 175.89 1sos n GLY 37 N 0.18 0.85 3.96 0.59 0.00 -0.51 -1.70 105.19 108.56 1sos n GLY 37 Ca -0.13 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1sos n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sos s LEU 38 N 0.00 4.02 0.51 0.99 1.43 -0.70 -4.16 118.68 120.77 1sos s LEU 38 Ca 0.00 0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.18 1sos s LEU 38 Cb 0.00 -3.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.08 1sos s LEU 38 CO 0.00 -0.33 0.94 -0.89 0.23 0.00 0.00 176.35 176.30 1sos s THR 39 N -2.25 4.63 0.34 5.49 2.01 -1.26 -3.95 115.64 120.66 1sos s THR 39 Ca 0.41 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 1sos s THR 39 Cb -0.09 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.55 1sos s THR 39 CO 0.34 -0.75 1.48 -0.70 -0.69 0.00 0.00 174.62 174.29 1sos s GLU 40 N -4.27 4.15 0.00 4.92 2.12 -1.26 -4.52 118.70 119.84 1sos s GLU 40 Ca 0.56 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.40 1sos s GLU 40 Cb -0.10 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1sos s GLU 40 CO 0.36 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 1sos n GLY 41 N 0.97 0.43 3.89 -1.50 0.00 -0.44 -4.89 105.19 103.64 1sos n GLY 41 Ca 0.03 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 1sos n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sos s LEU 42 N 0.00 4.36 -0.02 0.99 1.43 -1.26 -0.78 118.68 123.41 1sos s LEU 42 Ca 0.00 0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1sos s LEU 42 Cb 0.00 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.88 1sos s LEU 42 CO 0.00 0.33 0.02 -1.00 0.23 0.00 0.00 176.35 175.93 1sos s HIS 43 N -1.19 0.02 0.44 0.29 3.76 -0.55 -3.35 115.29 114.70 1sos s HIS 43 Ca 0.22 0.10 -0.26 0.00 -0.15 0.00 0.00 55.06 54.97 1sos s HIS 43 Cb -0.12 -0.17 -0.08 0.00 1.11 0.00 0.00 32.58 33.31 1sos s HIS 43 CO 0.12 -0.07 1.41 0.20 -0.85 0.00 0.00 174.74 175.56 1sos s GLY 44 N 0.79 2.92 -0.08 -2.22 0.00 -0.36 -1.29 107.32 107.08 1sos s GLY 44 Ca -0.07 1.44 -0.00 0.00 0.00 0.00 0.00 44.72 46.09 1sos s GLY 44 CO -0.02 2.05 -0.05 -0.12 0.00 0.00 0.00 173.10 174.96 1sos s PHE 45 N -1.21 1.03 0.07 1.90 5.36 -0.44 -0.80 117.98 123.90 1sos s PHE 45 Ca 0.60 -0.40 -0.19 0.00 -0.96 0.00 0.00 56.93 55.98 1sos s PHE 45 Cb -0.43 -0.93 0.04 0.00 -0.34 0.00 0.00 43.02 41.36 1sos s PHE 45 CO 0.56 -0.35 0.45 -1.01 -1.46 0.00 0.00 175.22 173.41 1sos s HIS 46 N 1.50 -0.31 -0.31 10.12 3.76 -1.10 -2.64 115.29 126.31 1sos s HIS 46 Ca -0.01 0.21 -0.15 0.00 -0.15 0.00 0.00 55.06 54.96 1sos s HIS 46 Cb -0.13 0.28 -0.02 0.00 1.11 0.00 0.00 32.58 33.82 1sos s HIS 46 CO -0.04 -0.64 0.36 0.08 -0.85 0.00 0.00 174.74 173.65 1sos s VAL 47 N -2.92 5.17 0.46 -0.90 1.01 -0.35 -0.79 120.40 122.07 1sos s VAL 47 Ca -0.03 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1sos s VAL 47 Cb -0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1sos s VAL 47 CO -0.06 0.02 0.68 -1.00 0.00 0.00 0.00 175.10 174.74 1sos s HIS 48 N 2.04 3.18 0.21 5.22 3.76 0.02 -1.38 115.29 128.35 1sos s HIS 48 Ca 0.13 0.20 -0.07 0.00 -0.15 0.00 0.00 55.06 55.17 1sos s HIS 48 Cb -0.16 -2.36 0.16 0.00 1.11 0.00 0.00 32.58 31.33 1sos s HIS 48 CO 0.11 -0.41 1.72 1.49 -0.85 0.00 0.00 174.74 176.80 1sos h GLU 49 N 0.37 1.07 -6.78 1.40 4.81 -0.21 -2.93 114.58 112.32 1sos h GLU 49 Ca -0.46 -0.27 -0.68 0.00 -0.13 0.00 0.00 59.36 57.83 1sos h GLU 49 Cb 1.26 -0.13 -0.20 0.00 0.63 0.00 0.00 28.75 30.30 1sos h GLU 49 CO 0.57 0.97 -0.84 -0.06 -0.73 0.00 0.00 179.01 178.92 1sos s PHE 50 N -5.22 2.35 -0.40 0.92 0.08 0.33 -4.69 117.98 111.35 1sos s PHE 50 Ca -0.12 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.61 1sos s PHE 50 Cb 0.15 -1.23 0.51 0.00 -0.57 0.00 0.00 43.02 41.88 1sos s PHE 50 CO 0.84 0.40 1.81 0.41 -0.10 0.00 0.00 175.22 178.58 1sos n GLY 51 N 0.67 4.28 3.51 4.36 0.00 -0.90 -3.06 105.19 114.06 1sos n GLY 51 Ca -0.16 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 1sos n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sos s ASP 52 N -0.93 6.97 -0.91 1.61 -1.08 -1.26 -4.84 116.67 116.24 1sos s ASP 52 Ca 0.48 -2.75 0.00 0.00 -0.52 0.00 0.00 52.55 49.76 1sos s ASP 52 Cb 0.40 -2.48 0.32 0.00 -1.46 0.00 0.00 42.92 39.70 1sos s ASP 52 CO 0.07 -0.93 1.51 0.59 0.52 0.00 0.00 175.17 176.94 1sos n ASN 53 N 6.81 6.36 -0.09 -0.34 5.03 -1.26 -3.63 115.26 128.14 1sos n ASN 53 Ca 0.42 -3.64 -0.21 0.00 0.87 0.00 0.00 54.58 52.01 1sos n ASN 53 Cb 0.44 -1.01 -0.12 0.00 -1.02 0.00 0.00 39.78 38.07 1sos n ASN 53 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 1sos h THR 54 N 2.62 0.95 -1.86 3.41 2.02 -1.89 -3.34 112.91 114.82 1sos h THR 54 Ca 0.38 -2.20 -0.74 0.00 0.77 0.00 0.00 66.41 64.62 1sos h THR 54 Cb 0.42 2.32 -0.29 0.00 -1.74 0.00 0.00 68.15 68.86 1sos h THR 54 CO 1.10 0.37 0.82 0.00 0.37 0.00 0.00 175.52 178.17 1sos n ALA 55 N -3.34 6.32 -0.62 6.16 0.00 -1.26 -5.03 120.51 122.75 1sos n ALA 55 Ca -0.31 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.04 1sos n ALA 55 Cb 0.69 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1sos n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sos n GLY 56 N -0.56 1.66 0.14 0.00 0.00 -1.25 -3.27 105.19 101.90 1sos n GLY 56 Ca 0.53 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1sos n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sos h THR 58 N 0.08 0.94 0.00 0.00 2.02 -1.90 -0.20 112.91 113.86 1sos h THR 58 Ca -0.01 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1sos h THR 58 Cb 1.21 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1sos h THR 58 CO 0.10 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.59 1sos n SER 59 N -4.73 0.00 0.15 4.18 3.41 -1.23 -2.87 113.62 112.53 1sos n SER 59 Ca 0.12 -0.66 0.13 0.00 -0.26 0.00 0.00 58.87 58.20 1sos n SER 59 Cb 0.24 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.61 1sos n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sos h ALA 60 N 2.13 1.00 0.00 7.33 0.00 -1.09 -3.37 119.26 125.26 1sos h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sos h ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sos h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sos n GLY 61 N 0.82 -1.80 0.33 0.00 0.00 -1.14 -0.51 105.19 102.90 1sos n GLY 61 Ca 0.04 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 1sos n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sos n PRO 62 N 0.00 0.20 -2.25 1.61 -0.04 -1.26 -4.51 135.00 128.75 1sos n PRO 62 Ca 0.00 -0.20 -0.38 0.00 -0.04 0.00 0.00 63.50 62.88 1sos n PRO 62 Cb 0.00 -0.09 -0.01 0.00 -0.04 0.00 0.00 33.50 33.36 1sos n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sos s HIS 63 N -0.69 2.95 -0.08 0.54 3.76 -1.26 -0.54 115.29 119.97 1sos s HIS 63 Ca 0.06 1.53 -0.30 0.00 -0.15 0.00 0.00 55.06 56.21 1sos s HIS 63 Cb -0.00 -3.42 -0.05 0.00 1.11 0.00 0.00 32.58 30.21 1sos s HIS 63 CO 0.04 -1.49 1.69 0.12 -0.85 0.00 0.00 174.74 174.25 1sos s PHE 64 N -1.45 1.91 -0.39 1.40 5.36 -0.48 -4.57 117.98 119.77 1sos s PHE 64 Ca 0.60 0.21 0.09 0.00 -0.96 0.00 0.00 56.93 56.87 1sos s PHE 64 Cb -0.31 -3.95 0.29 0.00 -0.34 0.00 0.00 43.02 38.71 1sos s PHE 64 CO 0.38 -3.86 0.60 -1.71 -1.46 0.00 0.00 175.22 169.18 1sos n ASN 65 N 7.53 0.46 -0.17 6.13 5.15 -1.26 -1.12 115.26 131.97 1sos n ASN 65 Ca 0.18 -2.82 0.20 0.00 -0.60 0.00 0.00 54.58 51.54 1sos n ASN 65 Cb 0.43 -0.63 0.58 0.00 -0.53 0.00 0.00 39.78 39.63 1sos n ASN 65 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1sos h PRO 66 N 3.62 0.26 -0.61 1.20 0.11 -1.94 -3.16 132.00 131.49 1sos h PRO 66 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1sos h PRO 66 Cb 0.91 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1sos h PRO 66 CO 0.48 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 179.72 1sos n LEU 67 N -4.44 3.81 -3.57 2.35 4.77 -1.26 -4.99 117.00 113.67 1sos n LEU 67 Ca 0.16 -2.09 -0.26 0.00 -0.03 0.00 0.00 56.01 53.79 1sos n LEU 67 Cb 0.69 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1sos n LEU 67 CO 0.34 0.89 -0.04 -1.20 -1.33 0.00 0.00 177.39 176.05 1sos n SER 68 N 1.22 -3.40 -4.68 -1.43 7.64 -1.20 -4.97 113.62 106.81 1sos n SER 68 Ca 0.21 -0.52 -0.28 0.00 1.01 0.00 0.00 58.87 59.29 1sos n SER 68 Cb 0.62 -2.82 0.11 0.00 -1.01 0.00 0.00 64.21 61.11 1sos n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sos s ARG 69 N -6.23 1.63 0.39 1.43 1.81 -1.26 -5.08 118.95 111.63 1sos s ARG 69 Ca 0.48 -0.20 0.06 0.00 -1.72 0.00 0.00 55.73 54.34 1sos s ARG 69 Cb -0.26 -2.00 -0.00 0.00 -0.45 0.00 0.00 34.95 32.24 1sos s ARG 69 CO 0.59 -1.73 0.54 0.15 -0.68 0.00 0.00 175.30 174.17 1sos s LYS 70 N -5.56 3.01 0.49 3.54 1.02 -1.26 -4.76 119.74 116.22 1sos s LYS 70 Ca 0.65 -0.96 -0.20 0.00 0.02 0.00 0.00 55.97 55.47 1sos s LYS 70 Cb -0.09 -2.75 -0.08 0.00 -0.52 0.00 0.00 37.83 34.40 1sos s LYS 70 CO 0.49 -0.11 1.06 -1.58 -0.92 0.00 0.00 175.35 174.28 1sos s HIS 71 N -2.31 2.96 0.40 3.18 5.65 -0.26 -2.73 115.29 122.18 1sos s HIS 71 Ca 0.48 1.58 -0.15 0.00 0.25 0.00 0.00 55.06 57.22 1sos s HIS 71 Cb -0.10 -3.12 0.06 0.00 -1.18 0.00 0.00 32.58 28.24 1sos s HIS 71 CO 0.33 -0.96 0.79 0.20 -0.65 0.00 0.00 174.74 174.45 1sos s GLY 72 N -1.89 0.44 0.88 1.59 0.00 -1.24 -4.46 107.32 102.64 1sos s GLY 72 Ca 0.67 -0.82 -0.10 0.00 0.00 0.00 0.00 44.72 44.47 1sos s GLY 72 CO 0.22 -0.35 1.21 -0.32 0.00 0.00 0.00 173.10 173.86 1sos s GLY 73 N -3.09 1.78 0.36 0.20 0.00 -1.21 -4.67 107.32 100.69 1sos s GLY 73 Ca 0.16 -1.45 0.19 0.00 0.00 0.00 0.00 44.72 43.63 1sos s GLY 73 CO 0.12 -0.73 1.57 -0.56 0.00 0.00 0.00 173.10 173.50 1sos h PRO 74 N -1.27 0.00 0.00 2.90 0.13 -1.87 -1.57 132.00 130.32 1sos h PRO 74 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1sos h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sos h PRO 74 CO 0.37 0.29 0.00 1.63 -0.23 0.00 0.00 178.00 180.06 1sos n LYS 75 N -3.21 0.93 -2.99 0.86 4.01 -1.26 -4.91 118.16 111.59 1sos n LYS 75 Ca 0.02 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.59 1sos n LYS 75 Cb 0.61 -1.40 0.01 0.00 -0.51 0.00 0.00 35.03 33.74 1sos n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1sos s ASP 76 N -1.81 5.84 0.01 4.39 1.01 -0.59 -5.00 116.67 120.52 1sos s ASP 76 Ca 0.36 0.28 -0.21 0.00 0.71 0.00 0.00 52.55 53.69 1sos s ASP 76 Cb 0.16 -1.53 -0.19 0.00 1.01 0.00 0.00 42.92 42.37 1sos s ASP 76 CO 0.27 -0.70 1.19 -0.08 0.21 0.00 0.00 175.17 176.06 1sos h GLU 77 N 0.41 0.34 -4.44 8.23 4.81 -1.91 -3.41 114.58 118.61 1sos h GLU 77 Ca -0.46 -0.28 -0.72 0.00 -0.13 0.00 0.00 59.36 57.77 1sos h GLU 77 Cb 1.25 0.06 -0.23 0.00 0.63 0.00 0.00 28.75 30.46 1sos h GLU 77 CO 0.57 0.92 -0.41 -2.00 -0.73 0.00 0.00 179.01 177.36 1sos s GLU 78 N -3.65 2.90 0.09 1.92 2.56 -1.26 -5.00 118.70 116.25 1sos s GLU 78 Ca -0.14 -1.21 -0.26 0.00 0.00 0.00 0.00 54.97 53.36 1sos s GLU 78 Cb 0.04 -3.97 0.08 0.00 2.00 0.00 0.00 34.13 32.28 1sos s GLU 78 CO 0.78 -0.87 0.85 -0.98 -0.56 0.00 0.00 175.26 174.48 1sos s ARG 79 N 1.61 1.06 0.27 4.30 1.04 -1.10 -3.72 118.95 122.41 1sos s ARG 79 Ca 0.04 -0.48 -0.24 0.00 -1.04 0.00 0.00 55.73 54.02 1sos s ARG 79 Cb -0.21 0.43 -0.09 0.00 -2.04 0.00 0.00 34.95 33.04 1sos s ARG 79 CO 0.07 -0.47 0.85 -1.01 -0.04 0.00 0.00 175.30 174.69 1sos s HIS 80 N -3.32 3.69 0.55 5.89 3.76 -1.21 -4.65 115.29 120.01 1sos s HIS 80 Ca 0.07 1.62 0.27 0.00 -0.15 0.00 0.00 55.06 56.87 1sos s HIS 80 Cb -0.01 -2.79 1.45 0.00 1.11 0.00 0.00 32.58 32.34 1sos s HIS 80 CO -0.05 0.28 1.97 0.28 -0.85 0.00 0.00 174.74 176.37 1sos h VAL 81 N 2.71 0.60 -0.34 -0.90 2.07 -1.88 -0.35 116.25 118.15 1sos h VAL 81 Ca -0.47 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1sos h VAL 81 Cb 1.19 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1sos h VAL 81 CO 0.65 0.00 0.02 0.61 0.02 0.00 0.00 177.57 178.88 1sos n GLY 82 N -1.60 2.42 3.37 2.17 0.00 -0.27 -4.09 105.19 107.19 1sos n GLY 82 Ca 0.10 -0.53 -0.45 0.00 0.00 0.00 0.00 46.02 45.14 1sos n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sos s ASP 83 N -0.43 6.19 -0.11 1.61 1.01 -0.14 -1.22 116.67 123.58 1sos s ASP 83 Ca 0.31 -1.41 0.16 0.00 0.71 0.00 0.00 52.55 52.33 1sos s ASP 83 Cb 0.24 -2.26 0.60 0.00 1.01 0.00 0.00 42.92 42.51 1sos s ASP 83 CO 0.09 -0.92 1.51 0.18 0.21 0.00 0.00 175.17 176.24 1sos n LEU 84 N 5.82 4.23 0.00 1.23 4.32 -1.08 -3.94 117.00 127.58 1sos n LEU 84 Ca -0.11 -2.49 0.00 0.00 -0.02 0.00 0.00 56.01 53.39 1sos n LEU 84 Cb 0.43 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1sos n LEU 84 CO 0.54 0.76 0.00 0.61 -1.22 0.00 0.00 177.39 178.09 1sos n GLY 85 N 0.64 0.74 3.16 -0.72 0.00 -1.22 -4.80 105.19 102.98 1sos n GLY 85 Ca 0.22 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1sos n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sos s ASN 86 N -4.00 1.90 0.03 1.61 0.01 -1.26 -1.32 114.94 111.90 1sos s ASN 86 Ca 0.00 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 1sos s ASN 86 Cb 0.00 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.45 1sos s ASN 86 CO 0.00 0.14 -0.04 0.68 -1.51 0.00 0.00 177.10 176.37 1sos s VAL 87 N -0.60 3.86 0.07 1.60 -7.23 -0.41 -4.88 120.40 112.81 1sos s VAL 87 Ca 0.05 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.30 1sos s VAL 87 Cb -0.07 -2.73 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 1sos s VAL 87 CO 0.00 0.32 0.44 -0.89 -0.31 0.00 0.00 175.10 174.66 1sos s THR 88 N -1.10 5.02 -0.08 5.32 2.01 -1.26 -1.49 115.64 124.06 1sos s THR 88 Ca 0.20 0.65 0.03 0.00 0.31 0.00 0.00 61.69 62.87 1sos s THR 88 Cb -0.11 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1sos s THR 88 CO 0.11 0.36 -0.18 0.00 -0.69 0.00 0.00 174.62 174.21 1sos s ALA 89 N -1.33 2.45 1.00 7.40 0.00 0.04 -4.20 121.76 127.13 1sos s ALA 89 Ca 0.32 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 1sos s ALA 89 Cb -0.15 -0.94 0.20 0.00 0.00 0.00 0.00 23.12 22.23 1sos s ALA 89 CO 0.17 0.39 1.21 0.16 0.00 0.00 0.00 175.76 177.69 1sos s ASP 90 N -0.10 2.76 0.21 0.00 1.47 -0.58 -1.33 116.67 119.10 1sos s ASP 90 Ca -0.03 0.57 0.02 0.00 1.18 0.00 0.00 52.55 54.29 1sos s ASP 90 Cb -0.14 -0.82 0.54 0.00 -0.34 0.00 0.00 42.92 42.16 1sos s ASP 90 CO 0.04 -2.98 1.03 1.17 0.68 0.00 0.00 175.17 175.11 1sos n LYS 91 N -3.98 -0.05 -2.88 2.11 4.81 -1.26 -0.14 118.16 116.76 1sos n LYS 91 Ca 0.12 0.98 -0.39 0.00 -0.87 0.00 0.00 58.31 58.15 1sos n LYS 91 Cb 0.60 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1sos n LYS 91 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1sos n ASP 92 N -4.83 6.41 -0.86 3.14 5.75 -1.26 -4.76 116.55 120.15 1sos n ASP 92 Ca 0.16 -3.56 0.00 0.00 -0.01 0.00 0.00 54.79 51.38 1sos n ASP 92 Cb 0.54 -1.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 1sos n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sos n GLY 93 N 0.53 -0.10 3.80 6.12 0.00 0.80 -4.84 105.19 111.48 1sos n GLY 93 Ca 0.36 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 1sos n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sos s VAL 94 N -0.58 5.36 -0.17 1.61 1.01 -1.25 -1.43 120.40 124.95 1sos s VAL 94 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1sos s VAL 94 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1sos s VAL 94 CO 0.00 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.44 1sos s ALA 95 N -0.39 2.29 -0.40 5.51 0.00 0.58 -1.53 121.76 127.82 1sos s ALA 95 Ca 0.11 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.81 1sos s ALA 95 Cb -0.12 -1.14 0.07 0.00 0.00 0.00 0.00 23.12 21.93 1sos s ALA 95 CO 0.01 -0.30 0.22 -0.51 0.00 0.00 0.00 175.76 175.18 1sos s ASP 96 N 1.22 5.53 0.13 0.00 1.11 -1.26 -0.37 116.67 123.02 1sos s ASP 96 Ca 0.03 -1.47 -0.30 0.00 0.18 0.00 0.00 52.55 50.99 1sos s ASP 96 Cb -0.13 -1.94 -0.07 0.00 1.07 0.00 0.00 42.92 41.85 1sos s ASP 96 CO -0.11 -0.49 1.10 -0.69 1.18 0.00 0.00 175.17 176.16 1sos s VAL 97 N 1.39 4.04 -0.27 -1.27 1.01 0.50 -4.93 120.40 120.88 1sos s VAL 97 Ca 0.02 1.66 -0.00 0.00 0.00 0.00 0.00 61.98 63.66 1sos s VAL 97 Cb -0.22 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.24 1sos s VAL 97 CO 0.02 0.24 0.38 -0.44 0.00 0.00 0.00 175.10 175.29 1sos s SER 98 N 0.24 0.51 0.18 3.32 0.01 -1.25 -2.70 113.70 114.01 1sos s SER 98 Ca 0.51 -0.20 0.08 0.00 1.31 0.00 0.00 55.95 57.66 1sos s SER 98 Cb -0.28 1.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.93 1sos s SER 98 CO 0.33 -0.34 -0.16 -0.63 0.41 0.00 0.00 173.24 172.84 1sos s ILE 99 N 2.52 1.76 -0.11 1.44 1.01 -0.44 -5.01 121.20 122.36 1sos s ILE 99 Ca 0.11 -2.03 -0.03 0.00 0.00 0.00 0.00 60.65 58.70 1sos s ILE 99 Cb -0.14 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.47 1sos s ILE 99 CO -0.25 -0.44 0.06 -0.70 0.00 0.00 0.00 174.94 173.62 1sos s GLU 100 N -3.13 0.14 0.21 2.79 2.12 -1.26 -1.75 118.70 117.82 1sos s GLU 100 Ca 0.18 0.07 0.11 0.00 0.36 0.00 0.00 54.97 55.70 1sos s GLU 100 Cb -0.04 -1.27 -0.05 0.00 0.26 0.00 0.00 34.13 33.04 1sos s GLU 100 CO 0.07 -0.50 -0.20 0.34 -0.54 0.00 0.00 175.26 174.43 1sos s ASP 101 N 2.10 3.65 -0.37 -1.70 2.15 -0.39 -4.96 116.67 117.15 1sos s ASP 101 Ca 0.03 -0.84 0.13 0.00 0.43 0.00 0.00 52.55 52.30 1sos s ASP 101 Cb -0.14 -0.37 0.41 0.00 -0.30 0.00 0.00 42.92 42.52 1sos s ASP 101 CO -0.06 0.10 0.88 -1.54 -0.17 0.00 0.00 175.17 174.38 1sos n SER 102 N -0.01 1.79 0.00 -0.34 3.41 -1.26 -1.26 113.62 115.95 1sos n SER 102 Ca -0.10 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1sos n SER 102 Cb 0.57 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1sos n SER 102 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1sos n VAL 103 N 0.01 0.00 -1.87 -3.33 3.14 -1.26 -4.96 118.33 110.05 1sos n VAL 103 Ca 0.20 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.24 1sos n VAL 103 Cb 0.71 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.53 1sos n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1sos s ILE 104 N -1.00 3.02 0.17 1.55 -4.36 -1.26 -4.91 121.20 114.41 1sos s ILE 104 Ca 0.00 0.54 -0.07 0.00 -0.26 0.00 0.00 60.65 60.86 1sos s ILE 104 Cb 0.00 -3.10 -0.02 0.00 1.25 0.00 0.00 42.46 40.59 1sos s ILE 104 CO 0.00 -0.23 0.24 -0.55 0.24 0.00 0.00 174.94 174.63 1sos s SER 105 N -2.18 0.10 -0.01 4.36 0.15 -0.86 -4.77 113.70 110.49 1sos s SER 105 Ca 0.71 -1.02 0.09 0.00 0.70 0.00 0.00 55.95 56.43 1sos s SER 105 Cb -0.24 0.42 -0.13 0.00 -1.71 0.00 0.00 66.02 64.35 1sos s SER 105 CO 0.37 -0.88 0.19 0.18 1.20 0.00 0.00 173.24 174.30 1sos n LEU 106 N -0.21 0.00 -4.91 3.45 4.77 -1.26 -0.69 117.00 118.14 1sos n LEU 106 Ca -0.05 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.73 1sos n LEU 106 Cb 0.63 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 1sos n LEU 106 CO 0.27 0.01 0.03 -0.44 -1.33 0.00 0.00 177.39 175.93 1sos s SER 107 N -3.03 5.27 0.00 -1.43 0.01 -1.26 -2.69 113.70 110.57 1sos s SER 107 Ca -0.03 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1sos s SER 107 Cb 0.05 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1sos s SER 107 CO 0.36 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1sos n GLY 108 N -1.62 -2.14 0.23 3.44 0.00 -1.26 -3.67 105.19 100.18 1sos n GLY 108 Ca 0.04 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.67 1sos n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sos n ASP 109 N 0.55 0.81 -1.25 1.61 9.92 -1.26 -3.32 116.55 123.60 1sos n ASP 109 Ca 0.00 -0.99 -0.03 0.00 -0.53 0.00 0.00 54.79 53.24 1sos n ASP 109 Cb 0.00 -0.00 0.22 0.00 -0.64 0.00 0.00 41.12 40.70 1sos n ASP 109 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1sos n HIS 110 N -0.55 1.35 -2.24 1.24 8.25 -1.26 -5.00 115.22 117.02 1sos n HIS 110 Ca 0.17 -1.38 -0.41 0.00 -0.26 0.00 0.00 57.72 55.84 1sos n HIS 110 Cb 0.28 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 1sos n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1sos s SER 111 N -2.12 6.92 0.00 0.41 0.15 -1.21 -2.04 113.70 115.82 1sos s SER 111 Ca 0.46 2.43 0.24 0.00 0.70 0.00 0.00 55.95 59.78 1sos s SER 111 Cb 0.40 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.64 1sos s SER 111 CO 0.05 -0.48 1.46 2.30 1.20 0.00 0.00 173.24 177.77 1sos n ILE 112 N 2.14 0.21 -2.35 6.45 -5.35 0.14 -4.91 119.36 115.68 1sos n ILE 112 Ca 0.04 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.62 1sos n ILE 112 Cb 0.43 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.19 1sos n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sos s ILE 113 N -1.79 3.31 0.00 7.28 1.01 -1.26 -2.15 121.20 127.59 1sos s ILE 113 Ca 0.34 1.25 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1sos s ILE 113 Cb 0.20 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1sos s ILE 113 CO 0.30 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1sos n GLY 114 N 1.40 0.69 2.05 6.18 0.00 0.46 -4.99 105.19 110.98 1sos n GLY 114 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1sos n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sos n ARG 115 N -2.56 1.23 -4.53 1.61 1.74 -0.92 -2.11 116.66 111.13 1sos n ARG 115 Ca 0.00 -2.01 -0.34 0.00 -0.77 0.00 0.00 57.85 54.73 1sos n ARG 115 Cb 0.00 0.44 -0.11 0.00 -1.02 0.00 0.00 32.46 31.78 1sos n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sos s THR 116 N -1.86 3.92 -0.11 0.55 2.01 -1.11 -0.63 115.64 118.41 1sos s THR 116 Ca 0.05 -0.39 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 1sos s THR 116 Cb -0.00 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1sos s THR 116 CO 0.03 0.59 0.20 -0.22 -0.69 0.00 0.00 174.62 174.53 1sos s LEU 117 N -0.73 4.37 0.03 4.42 2.96 -0.09 -0.80 118.68 128.83 1sos s LEU 117 Ca 0.11 0.53 0.05 0.00 -0.22 0.00 0.00 54.13 54.60 1sos s LEU 117 Cb -0.11 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1sos s LEU 117 CO 0.02 0.35 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.55 1sos s VAL 118 N -0.77 1.18 -0.06 1.68 1.01 0.02 -2.21 120.40 121.26 1sos s VAL 118 Ca 0.16 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1sos s VAL 118 Cb -0.13 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1sos s VAL 118 CO 0.05 0.08 -0.19 0.54 0.00 0.00 0.00 175.10 175.58 1sos s VAL 119 N -0.75 2.60 0.38 2.92 0.11 -0.96 -2.70 120.40 121.99 1sos s VAL 119 Ca 0.03 -0.88 0.08 0.00 -2.93 0.00 0.00 61.98 58.27 1sos s VAL 119 Cb -0.08 -1.99 -0.02 0.00 -1.53 0.00 0.00 36.38 32.77 1sos s VAL 119 CO 0.01 0.58 0.40 -1.00 -3.33 0.00 0.00 175.10 171.76 1sos s HIS 120 N -0.43 2.83 0.09 1.54 3.76 0.02 -1.34 115.29 121.76 1sos s HIS 120 Ca 0.05 -0.39 -0.27 0.00 -0.15 0.00 0.00 55.06 54.30 1sos s HIS 120 Cb -0.12 -2.08 -0.13 0.00 1.11 0.00 0.00 32.58 31.36 1sos s HIS 120 CO 0.02 -0.08 1.67 1.49 -0.85 0.00 0.00 174.74 176.99 1sos h GLU 121 N 1.00 -0.42 0.00 1.40 4.81 -0.77 -3.37 114.58 117.24 1sos h GLU 121 Ca -0.43 0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.22 1sos h GLU 121 Cb 1.26 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.64 1sos h GLU 121 CO 0.55 -0.28 -0.41 1.63 -0.73 0.00 0.00 179.01 179.76 1sos n LYS 122 N -5.31 0.81 -3.05 1.92 5.02 0.17 -4.89 118.16 112.82 1sos n LYS 122 Ca -0.09 -3.46 -0.39 0.00 -2.02 0.00 0.00 58.31 52.35 1sos n LYS 122 Cb 0.23 0.81 -0.06 0.00 -0.02 0.00 0.00 35.03 35.99 1sos n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sos s ALA 123 N -2.81 3.47 0.13 7.82 0.00 -1.21 -1.22 121.76 127.93 1sos s ALA 123 Ca 0.06 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 1sos s ALA 123 Cb -0.01 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 1sos s ALA 123 CO 0.04 0.28 1.05 0.34 0.00 0.00 0.00 175.76 177.47 1sos s ASP 124 N -0.96 7.35 0.00 0.00 -1.08 -1.26 -3.99 116.67 116.72 1sos s ASP 124 Ca 0.34 1.94 0.14 0.00 -0.52 0.00 0.00 52.55 54.45 1sos s ASP 124 Cb -0.22 -2.59 0.41 0.00 -1.46 0.00 0.00 42.92 39.06 1sos s ASP 124 CO 0.24 -0.19 1.33 -0.90 0.52 0.00 0.00 175.17 176.18 1sos n ASP 125 N 2.79 2.07 -3.35 -0.34 5.68 -0.29 -4.91 116.55 118.20 1sos n ASP 125 Ca 0.03 -1.95 -0.24 0.00 -0.50 0.00 0.00 54.79 52.13 1sos n ASP 125 Cb 0.48 -0.24 0.02 0.00 -1.14 0.00 0.00 41.12 40.24 1sos n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sos n LEU 126 N 0.62 -2.26 0.00 -2.12 4.77 -1.26 -2.15 117.00 114.59 1sos n LEU 126 Ca 0.14 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1sos n LEU 126 Cb 0.34 -2.58 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 1sos n LEU 126 CO 0.10 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1sos n GLY 127 N -1.45 0.83 1.63 -0.72 0.00 -1.24 -3.32 105.19 100.91 1sos n GLY 127 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1sos n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sos n LYS 128 N -2.18 3.80 0.01 1.61 5.02 -0.91 -4.46 118.16 121.04 1sos n LYS 128 Ca 0.00 -2.90 0.12 0.00 -2.02 0.00 0.00 58.31 53.51 1sos n LYS 128 Cb 0.00 -1.92 0.16 0.00 -0.02 0.00 0.00 35.03 33.25 1sos n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sos n GLY 129 N 1.15 -1.23 2.50 0.72 0.00 -1.26 -4.97 105.19 102.10 1sos n GLY 129 Ca 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1sos n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sos n GLY 130 N 1.46 0.71 3.58 -0.02 0.00 -1.26 -4.98 105.19 104.69 1sos n GLY 130 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1sos n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sos s ASN 131 N -2.45 3.92 0.21 1.61 4.22 -1.26 -5.04 114.94 116.15 1sos s ASN 131 Ca 0.00 -1.13 -0.12 0.00 -2.14 0.00 0.00 52.86 49.47 1sos s ASN 131 Cb 0.00 -0.42 0.27 0.00 1.28 0.00 0.00 41.25 42.38 1sos s ASN 131 CO 0.00 -0.24 1.65 -0.33 -2.04 0.00 0.00 177.10 176.14 1sos h GLU 132 N 1.92 0.06 -0.18 3.55 5.08 -2.02 -2.34 114.58 120.65 1sos h GLU 132 Ca -0.42 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 57.98 1sos h GLU 132 Cb 1.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1sos h GLU 132 CO 0.70 0.04 0.15 1.49 -1.00 0.00 0.00 179.01 180.38 1sos h GLU 133 N 0.06 0.00 -0.91 2.33 4.57 -1.99 -1.64 114.58 116.99 1sos h GLU 133 Ca 0.31 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.57 1sos h GLU 133 Cb 0.50 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 1sos h GLU 133 CO -0.58 0.00 0.59 1.03 -1.18 0.00 0.00 179.01 178.87 1sos h SER 134 N 0.00 0.87 -0.60 1.04 0.87 -1.74 -0.47 113.55 113.53 1sos h SER 134 Ca 0.09 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1sos h SER 134 Cb 0.38 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1sos h SER 134 CO -0.00 0.53 0.00 0.35 -0.53 0.00 0.00 176.83 177.18 1sos n THR 135 N -4.51 1.53 0.02 2.23 -2.24 -0.62 -2.24 114.28 108.45 1sos n THR 135 Ca 0.15 -1.03 -0.01 0.00 -2.27 0.00 0.00 64.05 60.89 1sos n THR 135 Cb 0.25 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1sos n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sos n LYS 136 N 1.06 0.06 -0.00 -0.78 5.02 -0.77 -1.10 118.16 121.64 1sos n LYS 136 Ca 0.23 0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.57 1sos n LYS 136 Cb 0.78 -0.46 -0.04 0.00 -0.02 0.00 0.00 35.03 35.29 1sos n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sos n THR 137 N -3.29 0.00 -1.03 -0.18 -2.24 -0.26 -4.73 114.28 102.54 1sos n THR 137 Ca -0.01 -0.32 -0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1sos n THR 137 Cb 0.05 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1sos n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sos n GLY 138 N 1.32 0.49 2.48 3.38 0.00 -0.73 -3.43 105.19 108.70 1sos n GLY 138 Ca 0.01 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1sos n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sos n ASN 139 N 0.33 -5.63 0.16 1.61 3.02 -1.25 -1.14 115.26 112.36 1sos n ASN 139 Ca -0.01 -0.07 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1sos n ASN 139 Cb 0.09 -4.63 0.41 0.00 -0.61 0.00 0.00 39.78 35.04 1sos n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sos h ALA 140 N 0.93 1.00 0.00 5.41 0.00 -1.69 -3.41 119.26 121.49 1sos h ALA 140 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1sos h ALA 140 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1sos h ALA 140 CO 0.54 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1sos n GLY 141 N 0.82 -1.77 3.48 0.00 0.00 -1.26 -0.66 105.19 105.80 1sos n GLY 141 Ca 0.04 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1sos n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sos n SER 142 N 0.33 -0.99 -4.66 1.61 7.64 -1.26 -4.50 113.62 111.80 1sos n SER 142 Ca 0.00 0.65 -0.39 0.00 1.01 0.00 0.00 58.87 60.14 1sos n SER 142 Cb 0.00 -1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 61.91 1sos n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sos s ARG 143 N -2.56 4.16 -0.21 1.43 0.52 -1.26 -0.50 118.95 120.53 1sos s ARG 143 Ca 0.67 0.31 0.02 0.00 -0.52 0.00 0.00 55.73 56.21 1sos s ARG 143 Cb -0.38 -3.57 -0.20 0.00 0.52 0.00 0.00 34.95 31.32 1sos s ARG 143 CO 0.56 -0.14 -0.02 1.28 0.02 0.00 0.00 175.30 177.00 1sos n LEU 144 N 4.78 2.53 -3.68 2.53 4.77 -0.45 -4.94 117.00 122.54 1sos n LEU 144 Ca -0.06 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.75 1sos n LEU 144 Cb 0.51 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1sos n LEU 144 CO 0.41 0.86 0.16 0.00 -1.33 0.00 0.00 177.39 177.48 1sos s ALA 145 N -2.53 -1.11 0.22 -1.18 0.00 -1.24 -4.03 121.76 111.88 1sos s ALA 145 Ca -0.28 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 1sos s ALA 145 Cb 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.22 1sos s ALA 145 CO 0.67 -0.29 0.78 0.00 0.00 0.00 0.00 175.76 176.92 1sos s GLY 147 N -2.88 -0.42 -0.06 0.00 0.00 -0.94 -1.68 107.32 101.34 1sos s GLY 147 Ca 0.10 1.20 -0.17 0.00 0.00 0.00 0.00 44.72 45.85 1sos s GLY 147 CO 0.02 0.43 0.47 0.14 0.00 0.00 0.00 173.10 174.17 1sos s VAL 148 N -2.82 5.07 -0.54 1.40 1.01 -1.26 -0.92 120.40 122.34 1sos s VAL 148 Ca 0.05 0.96 -0.28 0.00 0.00 0.00 0.00 61.98 62.71 1sos s VAL 148 Cb -0.01 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1sos s VAL 148 CO -0.07 0.43 1.18 -0.63 0.00 0.00 0.00 175.10 176.01 1sos s ILE 149 N -0.11 4.07 0.32 2.22 1.01 0.19 -4.45 121.20 124.45 1sos s ILE 149 Ca 0.26 1.01 0.09 0.00 0.00 0.00 0.00 60.65 62.00 1sos s ILE 149 Cb -0.16 -4.68 -0.04 0.00 0.01 0.00 0.00 42.46 37.59 1sos s ILE 149 CO 0.12 -1.23 0.09 -0.83 0.00 0.00 0.00 174.94 173.10 1sos s GLY 150 N 2.84 1.88 0.35 6.18 0.00 -0.43 -0.40 107.32 117.74 1sos s GLY 150 Ca 0.45 -1.80 -0.28 0.00 0.00 0.00 0.00 44.72 43.09 1sos s GLY 150 CO 0.28 -1.76 1.42 -0.42 0.00 0.00 0.00 173.10 172.62 1sos s ILE 151 N -2.41 2.32 0.36 0.90 1.01 -1.26 -0.33 121.20 121.79 1sos s ILE 151 Ca 0.36 0.32 0.09 0.00 0.00 0.00 0.00 60.65 61.41 1sos s ILE 151 Cb -0.03 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 1sos s ILE 151 CO 0.21 0.07 -0.06 0.00 0.00 0.00 0.00 174.94 175.17 1sos s ALA 152 N -1.03 3.03 -2.36 9.38 0.00 -0.94 -4.74 121.76 125.10 1sos s ALA 152 Ca 0.52 -2.14 0.29 0.00 0.00 0.00 0.00 51.96 50.63 1sos s ALA 152 Cb -0.44 -0.01 1.29 0.00 0.00 0.00 0.00 23.12 23.97 1sos s ALA 152 CO 0.58 0.03 1.88 0.94 0.00 0.00 0.00 175.76 179.19