#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1v s THR 2 N 0.00 4.83 0.07 0.00 2.01 0.30 -4.89 115.64 117.96 1p1v s THR 2 Ca 0.00 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1p1v s THR 2 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1p1v s THR 2 CO 0.00 -0.10 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.15 1p1v s LYS 3 N -3.16 0.80 0.16 4.92 1.02 -1.26 0.43 119.74 122.66 1p1v s LYS 3 Ca 0.32 -0.92 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 1p1v s LYS 3 Cb -0.10 -0.80 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1p1v s LYS 3 CO 0.25 0.18 0.13 0.00 -0.92 0.00 0.00 175.35 174.99 1p1v s ALA 4 N -1.24 0.81 0.04 5.17 0.00 -0.14 -1.45 121.76 124.94 1p1v s ALA 4 Ca -0.02 -1.45 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1p1v s ALA 4 Cb -0.10 1.04 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1p1v s ALA 4 CO 0.02 -0.56 0.37 0.54 0.00 0.00 0.00 175.76 176.14 1p1v s VAL 5 N -4.07 0.06 -0.06 0.00 0.11 0.26 -0.52 120.40 116.19 1p1v s VAL 5 Ca 0.28 -0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 1p1v s VAL 5 Cb 0.06 -0.91 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1p1v s VAL 5 CO 0.05 -0.28 0.12 0.00 -3.33 0.00 0.00 175.10 171.66 1p1v s VAL 7 N 1.43 5.10 -0.17 0.00 1.01 -1.26 -1.15 120.40 125.36 1p1v s VAL 7 Ca -0.06 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 1p1v s VAL 7 Cb -0.12 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1p1v s VAL 7 CO -0.05 -0.11 0.40 -0.76 0.00 0.00 0.00 175.10 174.57 1p1v s LEU 8 N 2.20 4.20 0.05 3.92 1.02 0.12 -3.90 118.68 126.28 1p1v s LEU 8 Ca 0.15 0.59 -0.02 0.00 0.02 0.00 0.00 54.13 54.87 1p1v s LEU 8 Cb -0.16 -2.53 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 1p1v s LEU 8 CO 0.12 -0.03 -0.01 -0.54 0.02 0.00 0.00 176.35 175.92 1p1v s LYS 9 N 0.99 0.63 0.00 1.70 1.02 -0.45 -1.48 119.74 122.15 1p1v s LYS 9 Ca 0.20 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1p1v s LYS 9 Cb -0.14 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1p1v s LYS 9 CO 0.08 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1p1v n GLY 10 N 0.11 2.99 0.69 -3.33 0.00 -1.25 -0.72 105.19 103.68 1p1v n GLY 10 Ca -0.14 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.31 1p1v n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p1v n ASP 11 N 0.00 2.16 0.00 1.61 8.00 -1.26 -4.91 116.55 122.14 1p1v n ASP 11 Ca 0.00 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1p1v n ASP 11 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1p1v n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p1v n GLY 12 N 1.25 6.52 0.07 0.44 0.00 -1.26 -5.04 105.19 107.17 1p1v n GLY 12 Ca 0.17 -1.85 0.15 0.00 0.00 0.00 0.00 46.02 44.49 1p1v n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p1v n PRO 13 N 0.00 0.67 -2.76 1.61 -0.04 -1.26 -4.85 135.00 128.36 1p1v n PRO 13 Ca 0.00 -0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 62.90 1p1v n PRO 13 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1p1v n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1p1v s VAL 14 N -2.43 4.69 -0.02 0.52 1.01 -1.26 -4.29 120.40 118.61 1p1v s VAL 14 Ca 0.31 2.00 -0.30 0.00 0.00 0.00 0.00 61.98 64.00 1p1v s VAL 14 Cb 0.20 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1p1v s VAL 14 CO 0.45 0.26 0.69 0.00 0.00 0.00 0.00 175.10 176.50 1p1v s GLN 15 N 0.42 1.06 -0.04 2.72 -2.07 -0.90 -3.90 119.66 116.95 1p1v s GLN 15 Ca 0.48 0.13 -0.20 0.00 -1.82 0.00 0.00 55.36 53.95 1p1v s GLN 15 Cb -0.22 0.50 0.06 0.00 -1.09 0.00 0.00 33.01 32.26 1p1v s GLN 15 CO 0.28 -0.36 0.89 0.41 -1.32 0.00 0.00 175.29 175.20 1p1v n GLY 16 N 0.68 0.26 2.95 2.60 0.00 -0.55 -0.30 105.19 110.84 1p1v n GLY 16 Ca -0.18 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 1p1v n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p1v s ILE 17 N -2.03 0.71 -0.08 -0.61 1.01 -0.78 0.12 121.20 119.55 1p1v s ILE 17 Ca 0.21 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1p1v s ILE 17 Cb -0.00 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1p1v s ILE 17 CO -0.01 0.25 -0.17 -0.63 0.00 0.00 0.00 174.94 174.37 1p1v s ILE 18 N 0.57 1.53 0.01 2.92 -1.09 -0.30 -2.12 121.20 122.72 1p1v s ILE 18 Ca -0.09 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1p1v s ILE 18 Cb -0.12 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 39.37 1p1v s ILE 18 CO 0.01 0.44 0.08 0.20 -1.23 0.00 0.00 174.94 174.44 1p1v s ASN 19 N 0.49 5.64 -0.04 3.58 0.01 0.92 -0.70 114.94 124.84 1p1v s ASN 19 Ca -0.15 0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.15 1p1v s ASN 19 Cb -0.16 -1.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.90 1p1v s ASN 19 CO 0.06 0.25 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.38 1p1v s PHE 20 N -1.23 1.54 -0.03 2.20 0.40 0.32 -1.12 117.98 120.05 1p1v s PHE 20 Ca 0.24 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1p1v s PHE 20 Cb -0.12 -1.04 0.03 0.00 0.51 0.00 0.00 43.02 42.40 1p1v s PHE 20 CO 0.16 -0.14 0.04 -2.00 0.70 0.00 0.00 175.22 173.98 1p1v s GLU 21 N 0.02 -0.01 -0.35 0.44 2.12 -0.72 -0.97 118.70 119.24 1p1v s GLU 21 Ca -0.03 0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.59 1p1v s GLU 21 Cb -0.10 -0.41 0.10 0.00 0.26 0.00 0.00 34.13 33.98 1p1v s GLU 21 CO 0.02 -0.24 0.08 -1.14 -0.54 0.00 0.00 175.26 173.43 1p1v s GLN 22 N 1.59 1.34 0.46 4.30 0.74 0.17 -1.15 119.66 127.11 1p1v s GLN 22 Ca -0.02 -1.76 0.24 0.00 0.05 0.00 0.00 55.36 53.86 1p1v s GLN 22 Cb -0.13 -2.93 1.13 0.00 1.10 0.00 0.00 33.01 32.18 1p1v s GLN 22 CO -0.03 -0.97 1.94 1.57 -0.55 0.00 0.00 175.29 177.25 1p1v h LYS 23 N 7.61 0.00 -4.28 1.67 -0.00 -1.80 0.86 116.57 120.64 1p1v h LYS 23 Ca -0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 60.65 60.33 1p1v h LYS 23 Cb 1.01 0.00 -0.23 0.00 -0.00 0.00 0.00 32.23 33.00 1p1v h LYS 23 CO 0.52 0.21 -0.73 -2.00 -0.00 0.00 0.00 179.45 177.45 1p1v s GLU 24 N -3.98 0.40 -0.33 0.07 2.12 -1.26 -1.47 118.70 114.24 1p1v s GLU 24 Ca -0.02 -0.52 -0.39 0.00 0.36 0.00 0.00 54.97 54.40 1p1v s GLU 24 Cb 0.12 -0.18 -0.15 0.00 0.26 0.00 0.00 34.13 34.18 1p1v s GLU 24 CO 0.63 0.03 1.93 0.45 -0.54 0.00 0.00 175.26 177.76 1p1v n SER 25 N 1.97 2.12 -0.33 -1.70 2.88 -1.26 0.23 113.62 117.53 1p1v n SER 25 Ca -0.20 0.83 -0.04 0.00 -1.33 0.00 0.00 58.87 58.12 1p1v n SER 25 Cb 0.56 -1.15 -0.02 0.00 -0.75 0.00 0.00 64.21 62.85 1p1v n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p1v n ASN 26 N 7.02 -4.44 -4.33 -3.46 4.13 -1.26 -4.97 115.26 107.94 1p1v n ASN 26 Ca 0.34 0.11 -0.30 0.00 1.68 0.00 0.00 54.58 56.42 1p1v n ASN 26 Cb 0.14 -2.32 0.16 0.00 -1.54 0.00 0.00 39.78 36.22 1p1v n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1p1v s GLY 27 N -2.35 1.71 0.42 7.41 0.00 0.14 -5.00 107.32 109.64 1p1v s GLY 27 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 44.72 43.46 1p1v s GLY 27 CO 0.00 -0.31 1.31 -4.14 0.00 0.00 0.00 173.10 169.96 1p1v s PRO 28 N -5.74 3.86 -0.35 2.90 0.02 -1.26 -4.90 135.00 129.53 1p1v s PRO 28 Ca 0.70 2.17 -0.12 0.00 0.02 0.00 0.00 61.00 63.77 1p1v s PRO 28 Cb -0.07 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1p1v s PRO 28 CO 0.52 -0.59 0.22 0.08 -0.33 0.00 0.00 177.00 176.91 1p1v s VAL 29 N -1.28 4.93 0.25 3.83 1.01 -0.61 -4.30 120.40 124.24 1p1v s VAL 29 Ca 0.59 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1p1v s VAL 29 Cb -0.38 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1p1v s VAL 29 CO 0.49 -0.10 1.10 -0.54 0.00 0.00 0.00 175.10 176.05 1p1v s LYS 30 N 1.65 4.62 -0.10 2.72 1.02 -0.30 -1.69 119.74 127.67 1p1v s LYS 30 Ca 0.05 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.82 1p1v s LYS 30 Cb -0.18 -3.22 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1p1v s LYS 30 CO 0.08 0.17 -0.08 0.08 -0.92 0.00 0.00 175.35 174.68 1p1v s VAL 31 N -0.87 0.98 0.07 3.17 1.01 -0.00 -1.75 120.40 123.00 1p1v s VAL 31 Ca 0.46 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 1p1v s VAL 31 Cb -0.31 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.13 1p1v s VAL 31 CO 0.39 0.35 0.47 -1.66 0.00 0.00 0.00 175.10 174.65 1p1v s TRP 32 N 1.47 -0.35 -5.00 5.22 -2.14 -0.28 -0.64 118.94 117.22 1p1v s TRP 32 Ca 0.00 0.28 0.00 0.00 2.66 0.00 0.00 56.10 59.04 1p1v s TRP 32 Cb -0.13 0.31 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 1p1v s TRP 32 CO -0.05 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 174.00 1p1v n GLY 33 N 0.24 -0.28 3.02 3.67 0.00 -0.82 -0.06 105.19 110.96 1p1v n GLY 33 Ca -0.18 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1p1v n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p1v s SER 34 N -4.00 -0.15 -0.07 1.61 0.15 -0.90 -0.58 113.70 109.76 1p1v s SER 34 Ca 0.00 0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.97 1p1v s SER 34 Cb 0.00 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1p1v s SER 34 CO 0.00 -0.05 -0.19 -0.63 1.20 0.00 0.00 173.24 173.57 1p1v s ILE 35 N 0.10 1.61 0.44 6.45 1.01 -0.09 -1.86 121.20 128.85 1p1v s ILE 35 Ca -0.00 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1p1v s ILE 35 Cb -0.01 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1p1v s ILE 35 CO 0.00 0.46 0.03 -1.59 0.00 0.00 0.00 174.94 173.84 1p1v s LYS 36 N 0.31 2.01 -0.20 2.79 -2.85 0.59 -0.50 119.74 121.90 1p1v s LYS 36 Ca -0.12 -2.21 0.00 0.00 -1.00 0.00 0.00 55.97 52.64 1p1v s LYS 36 Cb -0.15 -1.36 0.00 0.00 -2.06 0.00 0.00 37.83 34.26 1p1v s LYS 36 CO 0.05 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.66 1p1v n GLY 37 N -1.04 0.53 3.88 0.59 0.00 -0.94 -2.11 105.19 106.09 1p1v n GLY 37 Ca -0.11 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1p1v n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1v s LEU 38 N -0.42 3.84 0.46 0.99 1.43 -0.37 -4.29 118.68 120.32 1p1v s LEU 38 Ca 0.00 1.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.97 1p1v s LEU 38 Cb 0.00 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 42.17 1p1v s LEU 38 CO 0.00 -0.39 1.14 0.42 0.23 0.00 0.00 176.35 177.75 1p1v s THR 39 N -2.37 3.21 0.35 5.49 -4.23 -1.26 -4.06 115.64 112.77 1p1v s THR 39 Ca 0.51 0.89 -0.27 0.00 -1.18 0.00 0.00 61.69 61.64 1p1v s THR 39 Cb -0.10 -3.44 -0.12 0.00 1.34 0.00 0.00 72.50 70.17 1p1v s THR 39 CO 0.32 -0.03 1.22 1.21 -0.54 0.00 0.00 174.62 176.80 1p1v n GLU 40 N -0.51 1.91 0.00 3.99 2.13 -1.26 -4.63 120.64 122.27 1p1v n GLU 40 Ca 0.07 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1p1v n GLU 40 Cb 0.49 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1p1v n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p1v n GLY 41 N 0.88 -0.12 3.79 8.31 0.00 -0.70 -4.93 105.19 112.43 1p1v n GLY 41 Ca 0.06 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 1p1v n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1v s LEU 42 N 0.00 4.49 -0.06 0.99 1.02 -1.26 -0.48 118.68 123.37 1p1v s LEU 42 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 54.13 55.70 1p1v s LEU 42 Cb 0.00 -3.40 0.02 0.00 0.02 0.00 0.00 46.19 42.83 1p1v s LEU 42 CO 0.00 0.14 -0.04 -1.00 0.02 0.00 0.00 176.35 175.46 1p1v s HIS 43 N -1.30 0.91 0.40 0.29 3.76 0.58 -2.76 115.29 117.17 1p1v s HIS 43 Ca 0.38 -0.31 -0.25 0.00 -0.15 0.00 0.00 55.06 54.73 1p1v s HIS 43 Cb -0.20 -0.83 -0.11 0.00 1.11 0.00 0.00 32.58 32.55 1p1v s HIS 43 CO 0.24 -0.29 1.15 0.41 -0.85 0.00 0.00 174.74 175.39 1p1v n GLY 44 N 4.47 0.18 2.71 -2.22 0.00 0.62 -1.21 105.19 109.74 1p1v n GLY 44 Ca -0.18 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1p1v n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p1v s PHE 45 N -1.21 0.89 0.02 1.61 5.36 0.35 -0.57 117.98 124.43 1p1v s PHE 45 Ca 0.61 -0.77 0.02 0.00 -0.96 0.00 0.00 56.93 55.82 1p1v s PHE 45 Cb -0.55 -0.98 -0.01 0.00 -0.34 0.00 0.00 43.02 41.14 1p1v s PHE 45 CO 0.58 -0.60 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.67 1p1v s HIS 46 N 1.90 0.53 -0.24 10.12 3.76 -0.49 -2.09 115.29 128.79 1p1v s HIS 46 Ca -0.00 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.39 1p1v s HIS 46 Cb -0.17 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 1p1v s HIS 46 CO -0.08 -0.06 0.64 0.08 -0.85 0.00 0.00 174.74 174.47 1p1v s VAL 47 N -0.81 4.98 0.26 -0.90 1.01 -0.06 -0.53 120.40 124.36 1p1v s VAL 47 Ca -0.05 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.11 1p1v s VAL 47 Cb -0.06 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1p1v s VAL 47 CO 0.00 0.04 0.44 -1.00 0.00 0.00 0.00 175.10 174.59 1p1v s HIS 48 N 2.36 3.48 0.15 5.22 3.76 0.89 -0.34 115.29 130.81 1p1v s HIS 48 Ca 0.27 0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 55.34 1p1v s HIS 48 Cb -0.16 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1p1v s HIS 48 CO 0.09 0.30 1.57 1.49 -0.85 0.00 0.00 174.74 177.33 1p1v h GLU 49 N 1.39 0.89 -5.75 1.40 4.81 -0.65 -2.60 114.58 114.08 1p1v h GLU 49 Ca -0.49 -0.33 -0.66 0.00 -0.13 0.00 0.00 59.36 57.74 1p1v h GLU 49 Cb 1.21 -0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.39 1p1v h GLU 49 CO 0.64 0.97 -0.59 -0.06 -0.73 0.00 0.00 179.01 179.24 1p1v s PHE 50 N -4.85 3.24 -0.28 0.92 0.08 -0.13 -4.65 117.98 112.33 1p1v s PHE 50 Ca -0.12 0.19 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 1p1v s PHE 50 Cb 0.11 -1.88 -0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1p1v s PHE 50 CO 0.84 0.43 2.80 0.41 -0.10 0.00 0.00 175.22 179.59 1p1v n GLY 51 N 2.45 3.81 3.23 4.36 0.00 -1.02 -3.60 105.19 114.42 1p1v n GLY 51 Ca -0.18 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1p1v n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p1v s ASP 52 N 0.88 5.19 -0.18 1.61 -1.08 -1.26 -4.94 116.67 116.88 1p1v s ASP 52 Ca 0.51 -1.26 0.16 0.00 -0.52 0.00 0.00 52.55 51.44 1p1v s ASP 52 Cb 0.31 -1.82 0.67 0.00 -1.46 0.00 0.00 42.92 40.62 1p1v s ASP 52 CO -0.11 -0.33 1.58 -3.20 0.52 0.00 0.00 175.17 173.64 1p1v n ASN 53 N 4.74 4.75 0.14 -0.34 4.05 -1.26 -3.41 115.26 123.93 1p1v n ASN 53 Ca -0.12 -2.83 0.04 0.00 0.45 0.00 0.00 54.58 52.12 1p1v n ASN 53 Cb 0.44 -0.59 0.47 0.00 1.23 0.00 0.00 39.78 41.32 1p1v n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1p1v h THR 54 N 3.11 1.12 -1.11 -0.44 1.35 -1.92 -2.28 112.91 112.74 1p1v h THR 54 Ca 0.00 -0.47 -0.60 0.00 -0.55 0.00 0.00 66.41 64.79 1p1v h THR 54 Cb 1.63 1.04 -0.39 0.00 -1.73 0.00 0.00 68.15 68.70 1p1v h THR 54 CO 0.32 0.15 -0.38 0.00 -0.25 0.00 0.00 175.52 175.36 1p1v n ALA 55 N -2.50 5.36 -0.88 6.62 0.00 -1.26 -5.05 120.51 122.79 1p1v n ALA 55 Ca -0.01 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1p1v n ALA 55 Cb 0.18 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1p1v n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1v n GLY 56 N -0.66 1.00 0.13 0.00 0.00 -0.86 -2.31 105.19 102.49 1p1v n GLY 56 Ca 0.46 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1p1v n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p1v h THR 58 N 0.00 1.13 -0.11 0.00 2.02 -1.80 -2.51 112.91 111.63 1p1v h THR 58 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1p1v h THR 58 Cb 0.27 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1p1v h THR 58 CO 0.00 0.32 0.00 -1.54 0.37 0.00 0.00 175.52 174.67 1p1v n SER 59 N -4.00 0.77 0.00 4.18 3.41 -1.04 -3.87 113.62 113.07 1p1v n SER 59 Ca -0.02 -1.78 0.14 0.00 -0.26 0.00 0.00 58.87 56.95 1p1v n SER 59 Cb 0.38 -0.07 0.74 0.00 -0.26 0.00 0.00 64.21 65.00 1p1v n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p1v n ALA 60 N -0.18 2.42 -0.50 7.33 0.00 -0.95 -4.43 120.51 124.20 1p1v n ALA 60 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1p1v n ALA 60 Cb 0.15 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1p1v n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1v n GLY 61 N 0.89 -0.34 3.35 0.00 0.00 -1.25 -0.95 105.19 106.88 1p1v n GLY 61 Ca 0.16 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 1p1v n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p1v n PRO 62 N -0.06 -0.68 -1.75 1.61 -0.04 -1.26 -4.59 135.00 128.24 1p1v n PRO 62 Ca 0.00 -2.01 -0.42 0.00 -0.04 0.00 0.00 63.50 61.03 1p1v n PRO 62 Cb 0.00 -0.94 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1p1v n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1p1v n HIS 63 N -3.22 2.83 -1.65 0.54 8.25 -1.26 -0.61 115.22 120.10 1p1v n HIS 63 Ca 0.14 0.35 -0.43 0.00 -0.26 0.00 0.00 57.72 57.52 1p1v n HIS 63 Cb 0.50 -2.56 -0.03 0.00 1.12 0.00 0.00 29.99 29.03 1p1v n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1p1v s PHE 64 N -0.46 1.23 -0.39 4.41 5.36 0.54 -4.56 117.98 124.11 1p1v s PHE 64 Ca 0.60 0.34 0.12 0.00 -0.96 0.00 0.00 56.93 57.03 1p1v s PHE 64 Cb -0.50 -4.00 0.39 0.00 -0.34 0.00 0.00 43.02 38.57 1p1v s PHE 64 CO 0.55 -4.32 0.86 -1.71 -1.46 0.00 0.00 175.22 169.13 1p1v n ASN 65 N 10.74 1.79 0.13 6.13 5.15 -1.26 -1.18 115.26 136.76 1p1v n ASN 65 Ca 0.27 -3.06 0.10 0.00 -0.60 0.00 0.00 54.58 51.29 1p1v n ASN 65 Cb 0.44 -0.57 0.50 0.00 -0.53 0.00 0.00 39.78 39.62 1p1v n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1p1v n PRO 66 N 0.05 0.13 -0.14 1.20 -0.04 -1.26 -2.10 135.00 132.84 1p1v n PRO 66 Ca 0.22 0.57 0.06 0.00 -0.04 0.00 0.00 63.50 64.31 1p1v n PRO 66 Cb 0.68 -1.88 0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1p1v n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1p1v n LEU 67 N -2.15 2.76 -3.98 1.53 4.32 -1.26 -4.98 117.00 113.23 1p1v n LEU 67 Ca -0.00 -1.70 -0.32 0.00 -0.02 0.00 0.00 56.01 53.96 1p1v n LEU 67 Cb 0.07 -0.19 -0.01 0.00 -1.62 0.00 0.00 43.42 41.68 1p1v n LEU 67 CO 0.11 0.65 -0.23 -1.20 -1.22 0.00 0.00 177.39 175.50 1p1v n SER 68 N 0.67 -2.01 -5.01 -1.43 7.64 -0.89 -4.98 113.62 107.61 1p1v n SER 68 Ca 0.11 -1.12 -0.18 0.00 1.01 0.00 0.00 58.87 58.70 1p1v n SER 68 Cb 0.41 -2.59 0.02 0.00 -1.01 0.00 0.00 64.21 61.04 1p1v n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1p1v s ARG 69 N -6.75 2.70 0.46 1.43 0.52 -1.26 -5.13 118.95 110.92 1p1v s ARG 69 Ca 0.21 -1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.03 1p1v s ARG 69 Cb -0.09 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1p1v s ARG 69 CO 0.92 -0.40 0.75 0.15 0.02 0.00 0.00 175.30 176.74 1p1v s LYS 70 N -4.41 3.48 0.57 3.54 1.02 -1.26 -4.73 119.74 117.94 1p1v s LYS 70 Ca 0.56 0.07 -0.21 0.00 0.02 0.00 0.00 55.97 56.42 1p1v s LYS 70 Cb -0.09 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1p1v s LYS 70 CO 0.34 -0.18 1.30 -1.58 -0.92 0.00 0.00 175.35 174.31 1p1v s HIS 71 N -2.68 2.32 0.00 3.18 5.65 -1.26 -2.44 115.29 120.06 1p1v s HIS 71 Ca 0.46 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.22 1p1v s HIS 71 Cb -0.10 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.62 1p1v s HIS 71 CO 0.43 -2.63 0.00 0.41 -0.65 0.00 0.00 174.74 172.30 1p1v n GLY 72 N 0.69 2.13 3.95 1.59 0.00 -1.25 -4.41 105.19 107.90 1p1v n GLY 72 Ca 0.12 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 1p1v n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p1v s GLY 73 N -0.55 1.60 0.63 -0.02 0.00 -1.18 -4.65 107.32 103.15 1p1v s GLY 73 Ca 0.00 -1.49 0.35 0.00 0.00 0.00 0.00 44.72 43.58 1p1v s GLY 73 CO 0.00 -1.42 2.17 -0.56 0.00 0.00 0.00 173.10 173.29 1p1v h PRO 74 N 1.02 0.00 -0.00 2.90 0.13 -1.86 1.01 132.00 135.20 1p1v h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1p1v h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1p1v h PRO 74 CO 0.55 0.00 -0.35 1.63 -0.23 0.00 0.00 178.00 179.60 1p1v n LYS 75 N -3.36 0.02 -2.76 0.86 4.76 -1.26 -4.93 118.16 111.49 1p1v n LYS 75 Ca -0.01 -0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.04 1p1v n LYS 75 Cb 0.23 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.86 1p1v n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1p1v s ASP 76 N -2.98 7.43 0.01 4.39 1.01 0.35 -4.95 116.67 121.93 1p1v s ASP 76 Ca 0.12 1.89 -0.25 0.00 0.71 0.00 0.00 52.55 55.02 1p1v s ASP 76 Cb 0.18 -2.59 -0.18 0.00 1.01 0.00 0.00 42.92 41.34 1p1v s ASP 76 CO 0.64 -0.00 1.40 -0.08 0.21 0.00 0.00 175.17 177.34 1p1v h GLU 77 N 3.50 0.02 -5.64 8.23 4.57 -1.92 -3.36 114.58 119.98 1p1v h GLU 77 Ca -0.46 -0.01 -0.64 0.00 -1.18 0.00 0.00 59.36 57.07 1p1v h GLU 77 Cb 1.20 -0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.65 1p1v h GLU 77 CO 0.66 0.37 1.13 -2.00 -1.18 0.00 0.00 179.01 177.99 1p1v s GLU 78 N -4.79 3.53 0.16 1.92 2.56 -1.26 -4.92 118.70 115.90 1p1v s GLU 78 Ca -0.15 -1.31 -0.08 0.00 0.00 0.00 0.00 54.97 53.43 1p1v s GLU 78 Cb 0.03 -5.03 -0.01 0.00 2.00 0.00 0.00 34.13 31.12 1p1v s GLU 78 CO 0.67 -2.00 0.26 -0.98 -0.56 0.00 0.00 175.26 172.65 1p1v s ARG 79 N 4.03 1.12 0.36 4.30 1.70 -1.02 -3.75 118.95 125.69 1p1v s ARG 79 Ca 0.38 -1.19 -0.18 0.00 -0.47 0.00 0.00 55.73 54.28 1p1v s ARG 79 Cb -0.04 0.36 -0.10 0.00 -0.57 0.00 0.00 34.95 34.61 1p1v s ARG 79 CO -0.07 -0.40 0.82 -1.01 -1.08 0.00 0.00 175.30 173.56 1p1v s HIS 80 N -3.97 3.36 0.42 5.89 3.76 -1.19 -4.54 115.29 119.02 1p1v s HIS 80 Ca 0.17 1.38 0.15 0.00 -0.15 0.00 0.00 55.06 56.61 1p1v s HIS 80 Cb 0.04 -2.66 1.03 0.00 1.11 0.00 0.00 32.58 32.10 1p1v s HIS 80 CO -0.00 0.03 1.92 0.28 -0.85 0.00 0.00 174.74 176.11 1p1v h VAL 81 N 1.98 0.80 -0.05 -0.90 2.07 -1.80 -1.94 116.25 116.42 1p1v h VAL 81 Ca -0.48 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1p1v h VAL 81 Cb 1.18 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1p1v h VAL 81 CO 0.64 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.92 1p1v n GLY 82 N -1.52 -0.69 3.52 2.17 0.00 -0.33 -4.34 105.19 104.01 1p1v n GLY 82 Ca 0.14 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1p1v n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p1v s ASP 83 N -1.46 6.54 -0.19 1.61 1.01 -0.73 -0.88 116.67 122.56 1p1v s ASP 83 Ca 0.24 -1.65 0.16 0.00 0.71 0.00 0.00 52.55 52.01 1p1v s ASP 83 Cb 0.12 -2.51 0.77 0.00 1.01 0.00 0.00 42.92 42.30 1p1v s ASP 83 CO 0.19 -1.36 1.69 0.18 0.21 0.00 0.00 175.17 176.08 1p1v n LEU 84 N 8.07 5.29 0.00 1.23 4.77 -0.89 -3.37 117.00 132.10 1p1v n LEU 84 Ca 0.29 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 1p1v n LEU 84 Cb 0.50 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1p1v n LEU 84 CO 0.61 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 1p1v n GLY 85 N 0.69 0.31 3.25 -0.72 0.00 -1.18 -4.74 105.19 102.79 1p1v n GLY 85 Ca 0.27 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 1p1v n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1v s ASN 86 N -4.00 2.21 0.12 1.61 0.01 -1.26 -0.50 114.94 113.13 1p1v s ASN 86 Ca 0.00 -0.67 0.03 0.00 -0.71 0.00 0.00 52.86 51.51 1p1v s ASN 86 Cb 0.00 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.52 1p1v s ASN 86 CO 0.00 -0.00 0.15 0.68 -1.51 0.00 0.00 177.10 176.42 1p1v s VAL 87 N -1.28 4.77 -0.24 1.60 -7.23 -0.35 -4.90 120.40 112.77 1p1v s VAL 87 Ca 0.04 -0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 59.39 1p1v s VAL 87 Cb -0.10 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.49 1p1v s VAL 87 CO 0.04 0.02 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.89 1p1v s THR 88 N -1.58 2.94 0.16 5.32 2.01 -1.26 -0.31 115.64 122.92 1p1v s THR 88 Ca 0.31 -0.92 -0.25 0.00 0.31 0.00 0.00 61.69 61.15 1p1v s THR 88 Cb -0.11 -2.45 -0.08 0.00 0.01 0.00 0.00 72.50 69.87 1p1v s THR 88 CO 0.24 0.26 0.76 0.00 -0.69 0.00 0.00 174.62 175.19 1p1v s ALA 89 N 1.35 3.46 0.95 7.40 0.00 0.36 -4.21 121.76 131.07 1p1v s ALA 89 Ca 0.02 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 1p1v s ALA 89 Cb -0.16 -2.94 0.11 0.00 0.00 0.00 0.00 23.12 20.13 1p1v s ALA 89 CO -0.05 0.30 0.66 -0.40 0.00 0.00 0.00 175.76 176.27 1p1v n ASP 90 N 1.60 0.12 0.14 0.00 5.68 0.46 -1.72 116.55 122.84 1p1v n ASP 90 Ca -0.06 -1.28 0.12 0.00 -0.50 0.00 0.00 54.79 53.07 1p1v n ASP 90 Cb 0.49 -0.50 0.51 0.00 -1.14 0.00 0.00 41.12 40.48 1p1v n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1p1v n LYS 91 N -2.37 0.18 -0.13 0.11 2.85 -1.26 -1.08 118.16 116.46 1p1v n LYS 91 Ca 0.08 0.47 0.11 0.00 -1.05 0.00 0.00 58.31 57.92 1p1v n LYS 91 Cb 0.29 -1.89 0.29 0.00 -0.65 0.00 0.00 35.03 33.08 1p1v n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1p1v n ASP 92 N -2.25 2.45 0.00 -5.58 8.00 -1.26 -4.87 116.55 113.04 1p1v n ASP 92 Ca 0.01 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.67 1p1v n ASP 92 Cb 0.19 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1p1v n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p1v n GLY 93 N 1.29 0.65 3.55 0.44 0.00 -0.24 -4.73 105.19 106.14 1p1v n GLY 93 Ca 0.17 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1p1v n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p1v s VAL 94 N -2.00 4.46 -0.43 1.61 1.01 -1.26 -1.24 120.40 122.55 1p1v s VAL 94 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1p1v s VAL 94 Cb 0.00 -3.02 0.09 0.00 0.00 0.00 0.00 36.38 33.45 1p1v s VAL 94 CO 0.00 0.43 0.28 0.00 0.00 0.00 0.00 175.10 175.81 1p1v s ALA 95 N 0.77 3.31 -0.16 5.51 0.00 0.35 -0.40 121.76 131.14 1p1v s ALA 95 Ca 0.02 -2.27 -0.26 0.00 0.00 0.00 0.00 51.96 49.45 1p1v s ALA 95 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1p1v s ALA 95 CO 0.02 -1.73 0.86 -0.51 0.00 0.00 0.00 175.76 174.41 1p1v s ASP 96 N 2.27 7.01 -0.12 0.00 1.01 -1.26 -0.92 116.67 124.67 1p1v s ASP 96 Ca 0.04 1.24 -0.01 0.00 0.71 0.00 0.00 52.55 54.53 1p1v s ASP 96 Cb -0.24 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 1p1v s ASP 96 CO 0.01 -0.41 -0.06 -0.69 0.21 0.00 0.00 175.17 174.23 1p1v s VAL 97 N 2.12 3.71 -0.29 -1.27 1.01 0.25 -4.83 120.40 121.10 1p1v s VAL 97 Ca 0.40 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1p1v s VAL 97 Cb -0.17 -2.57 0.17 0.00 0.00 0.00 0.00 36.38 33.81 1p1v s VAL 97 CO 0.13 0.54 0.46 -0.55 0.00 0.00 0.00 175.10 175.68 1p1v s SER 98 N -0.10 -0.14 0.38 3.32 0.15 -1.25 -1.95 113.70 114.10 1p1v s SER 98 Ca 0.01 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.54 1p1v s SER 98 Cb -0.13 1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 65.51 1p1v s SER 98 CO 0.03 -0.34 0.21 2.30 1.20 0.00 0.00 173.24 176.64 1p1v n ILE 99 N 5.37 0.00 -4.45 6.45 -5.35 0.18 -5.00 119.36 116.56 1p1v n ILE 99 Ca 0.01 -2.44 -0.21 0.00 -0.27 0.00 0.00 62.75 59.84 1p1v n ILE 99 Cb 0.50 1.03 -0.15 0.00 -1.74 0.00 0.00 39.64 39.28 1p1v n ILE 99 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1p1v s GLU 100 N -3.49 1.05 -0.01 6.28 2.12 -1.26 -0.82 118.70 122.57 1p1v s GLU 100 Ca 0.30 -0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.27 1p1v s GLU 100 Cb 0.01 -0.97 0.01 0.00 0.26 0.00 0.00 34.13 33.44 1p1v s GLU 100 CO 0.21 0.14 0.02 0.34 -0.54 0.00 0.00 175.26 175.43 1p1v s ASP 101 N 0.12 -0.00 0.00 -1.70 2.15 -0.68 -4.99 116.67 111.57 1p1v s ASP 101 Ca -0.02 0.03 0.14 0.00 0.43 0.00 0.00 52.55 53.13 1p1v s ASP 101 Cb -0.08 0.01 0.04 0.00 -0.30 0.00 0.00 42.92 42.59 1p1v s ASP 101 CO 0.01 -0.02 0.83 -1.20 -0.17 0.00 0.00 175.17 174.62 1p1v n SER 102 N 3.24 1.72 -0.08 -0.34 7.64 -1.26 -1.57 113.62 122.97 1p1v n SER 102 Ca -0.14 -1.36 -0.23 0.00 1.01 0.00 0.00 58.87 58.15 1p1v n SER 102 Cb 0.58 0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 63.97 1p1v n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1p1v n VAL 103 N 0.17 1.59 -1.01 0.44 0.31 -1.26 -4.88 118.33 113.69 1p1v n VAL 103 Ca 0.07 -0.23 -0.31 0.00 -0.01 0.00 0.00 64.34 63.86 1p1v n VAL 103 Cb 0.31 -1.93 0.14 0.00 -0.91 0.00 0.00 33.84 31.45 1p1v n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1p1v s ILE 104 N -2.43 2.70 0.09 2.52 -4.36 -1.26 -4.85 121.20 113.62 1p1v s ILE 104 Ca -0.29 0.23 -0.10 0.00 -0.26 0.00 0.00 60.65 60.23 1p1v s ILE 104 Cb 0.07 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.26 1p1v s ILE 104 CO 0.62 -0.30 0.22 -0.55 0.24 0.00 0.00 174.94 175.17 1p1v s SER 105 N -3.09 0.08 0.00 4.36 0.15 -1.14 -4.70 113.70 109.35 1p1v s SER 105 Ca 0.64 -0.61 0.23 0.00 0.70 0.00 0.00 55.95 56.90 1p1v s SER 105 Cb -0.20 0.36 0.50 0.00 -1.71 0.00 0.00 66.02 64.97 1p1v s SER 105 CO 0.57 -0.75 1.43 0.18 1.20 0.00 0.00 173.24 175.88 1p1v n LEU 106 N -0.08 2.95 -4.36 3.45 4.77 -1.26 -1.85 117.00 120.62 1p1v n LEU 106 Ca -0.15 -1.25 -0.18 0.00 -0.03 0.00 0.00 56.01 54.40 1p1v n LEU 106 Cb 0.63 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1p1v n LEU 106 CO 0.22 0.62 -0.27 -0.44 -1.33 0.00 0.00 177.39 176.19 1p1v s SER 107 N -1.54 1.65 0.64 -1.43 0.01 -1.26 -4.79 113.70 106.98 1p1v s SER 107 Ca 0.36 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.27 1p1v s SER 107 Cb 0.21 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1p1v s SER 107 CO 0.30 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1p1v n GLY 108 N -0.52 1.23 0.19 3.44 0.00 -1.26 -3.79 105.19 104.49 1p1v n GLY 108 Ca -0.02 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.49 1p1v n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1p1v h ASP 109 N 5.86 0.00 -3.37 1.61 2.03 -2.01 -3.46 116.42 117.09 1p1v h ASP 109 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 1p1v h ASP 109 Cb 0.00 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.41 1p1v h ASP 109 CO 0.00 0.36 0.31 -1.00 -1.03 0.00 0.00 179.24 177.89 1p1v s HIS 110 N -4.11 3.32 0.00 4.15 3.76 -1.25 -4.96 115.29 116.21 1p1v s HIS 110 Ca -0.02 1.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 1p1v s HIS 110 Cb 0.14 -2.94 0.00 0.00 1.11 0.00 0.00 32.58 30.89 1p1v s HIS 110 CO 0.71 -0.32 0.00 0.44 -0.85 0.00 0.00 174.74 174.72 1p1v n ILE 112 N 5.09 0.00 -1.85 0.60 -5.35 -0.77 -2.90 119.36 114.18 1p1v n ILE 112 Ca 0.02 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.09 1p1v n ILE 112 Cb 0.48 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.37 1p1v n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p1v s ILE 113 N 0.00 2.26 0.00 7.28 -1.09 -1.26 -1.38 121.20 127.01 1p1v s ILE 113 Ca 0.00 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1p1v s ILE 113 Cb 0.00 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1p1v s ILE 113 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 1p1v n GLY 114 N 2.33 0.87 1.48 6.18 0.00 0.11 -4.98 105.19 111.18 1p1v n GLY 114 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1p1v n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p1v n ARG 115 N -2.00 0.98 -4.74 1.61 1.74 -0.48 -2.44 116.66 111.34 1p1v n ARG 115 Ca 0.00 -1.25 -0.33 0.00 -0.77 0.00 0.00 57.85 55.50 1p1v n ARG 115 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.30 1p1v n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1p1v s THR 116 N -0.65 2.95 -0.02 0.55 2.01 -0.98 -0.75 115.64 118.76 1p1v s THR 116 Ca 0.19 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 1p1v s THR 116 Cb -0.01 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 1p1v s THR 116 CO 0.12 0.52 0.56 -0.22 -0.69 0.00 0.00 174.62 174.91 1p1v s LEU 117 N 0.45 4.40 -0.03 4.42 2.96 -0.35 -0.07 118.68 130.46 1p1v s LEU 117 Ca -0.10 1.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 1p1v s LEU 117 Cb -0.16 -2.86 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 1p1v s LEU 117 CO 0.05 0.11 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.36 1p1v s VAL 118 N -0.17 1.15 -0.09 1.68 1.01 0.31 -1.97 120.40 122.32 1p1v s VAL 118 Ca 0.30 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1p1v s VAL 118 Cb -0.18 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1p1v s VAL 118 CO 0.16 0.34 -0.11 0.54 0.00 0.00 0.00 175.10 176.02 1p1v s VAL 119 N 0.08 3.26 0.30 2.92 0.11 -0.58 -1.39 120.40 125.09 1p1v s VAL 119 Ca -0.03 -0.62 0.07 0.00 -2.93 0.00 0.00 61.98 58.47 1p1v s VAL 119 Cb -0.10 -2.33 -0.03 0.00 -1.53 0.00 0.00 36.38 32.39 1p1v s VAL 119 CO 0.01 0.56 0.24 -1.00 -3.33 0.00 0.00 175.10 171.58 1p1v s HIS 120 N -0.32 2.98 0.21 1.54 3.76 0.27 -1.05 115.29 122.67 1p1v s HIS 120 Ca 0.03 -0.22 -0.10 0.00 -0.15 0.00 0.00 55.06 54.62 1p1v s HIS 120 Cb -0.13 -1.60 0.18 0.00 1.11 0.00 0.00 32.58 32.14 1p1v s HIS 120 CO 0.02 0.35 1.87 1.49 -0.85 0.00 0.00 174.74 177.62 1p1v h GLU 121 N 1.38 0.93 -5.06 1.40 4.81 -0.89 -3.37 114.58 113.78 1p1v h GLU 121 Ca -0.46 -0.06 -0.50 0.00 -0.13 0.00 0.00 59.36 58.22 1p1v h GLU 121 Cb 1.25 -0.21 -0.14 0.00 0.63 0.00 0.00 28.75 30.28 1p1v h GLU 121 CO 0.60 0.61 -0.56 0.15 -0.73 0.00 0.00 179.01 179.08 1p1v s LYS 122 N -6.13 1.76 0.41 1.92 1.02 0.37 -4.90 119.74 114.20 1p1v s LYS 122 Ca -0.13 -2.03 -0.26 0.00 0.02 0.00 0.00 55.97 53.57 1p1v s LYS 122 Cb 0.15 -0.58 -0.09 0.00 -0.52 0.00 0.00 37.83 36.80 1p1v s LYS 122 CO 0.78 -0.38 1.33 0.00 -0.92 0.00 0.00 175.35 176.16 1p1v s ALA 123 N -3.34 3.27 0.01 5.17 0.00 -1.11 -0.28 121.76 125.48 1p1v s ALA 123 Ca 0.30 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 1p1v s ALA 123 Cb 0.05 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1p1v s ALA 123 CO 0.15 -0.91 1.17 0.34 0.00 0.00 0.00 175.76 176.51 1p1v s ASP 124 N -0.67 7.11 0.00 0.00 -1.08 -1.26 -3.96 116.67 116.81 1p1v s ASP 124 Ca 0.58 1.89 0.20 0.00 -0.52 0.00 0.00 52.55 54.70 1p1v s ASP 124 Cb -0.39 -2.57 0.84 0.00 -1.46 0.00 0.00 42.92 39.33 1p1v s ASP 124 CO 0.51 -0.48 1.59 1.41 0.52 0.00 0.00 175.17 178.72 1p1v n HIS 125 N 4.36 0.16 -2.44 -5.34 8.25 0.41 -4.90 115.22 115.71 1p1v n HIS 125 Ca 0.09 -0.08 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 1p1v n HIS 125 Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 1p1v n HIS 125 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p1v n LEU 126 N 0.07 -2.00 -1.92 2.41 4.77 -1.26 -5.01 117.00 114.05 1p1v n LEU 126 Ca 0.16 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 56.08 1p1v n LEU 126 Cb 0.27 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.41 1p1v n LEU 126 CO 0.12 -0.19 0.04 0.61 -1.33 0.00 0.00 177.39 176.64 1p1v n GLY 127 N -1.05 -0.79 3.39 -0.72 0.00 -1.26 -3.13 105.19 101.63 1p1v n GLY 127 Ca -0.24 0.21 -0.51 0.00 0.00 0.00 0.00 46.02 45.48 1p1v n GLY 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1p1v n THR 137 N -0.67 1.25 -0.83 2.61 -1.04 -1.26 -5.01 114.28 109.33 1p1v n THR 137 Ca 0.03 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1p1v n THR 137 Cb 0.24 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 1p1v n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p1v n GLY 138 N 1.79 0.90 3.85 3.41 0.00 -1.26 -4.26 105.19 109.62 1p1v n GLY 138 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1p1v n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p1v n ASN 139 N 0.00 -1.12 -0.40 1.61 5.15 -1.26 0.15 115.26 119.39 1p1v n ASN 139 Ca 0.00 -0.96 0.11 0.00 -0.60 0.00 0.00 54.58 53.13 1p1v n ASN 139 Cb 0.00 -3.36 0.48 0.00 -0.53 0.00 0.00 39.78 36.37 1p1v n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1p1v n ALA 140 N -4.34 2.56 -0.30 5.20 0.00 -1.25 -4.75 120.51 117.62 1p1v n ALA 140 Ca -0.28 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1p1v n ALA 140 Cb 0.67 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1p1v n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1v n GLY 141 N 1.07 -0.52 3.75 0.00 0.00 -1.26 -0.48 105.19 107.75 1p1v n GLY 141 Ca 0.17 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1p1v n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p1v s SER 142 N -4.00 3.80 -0.61 1.61 1.04 -1.26 -4.55 113.70 109.73 1p1v s SER 142 Ca 0.00 1.41 -0.22 0.00 0.48 0.00 0.00 55.95 57.63 1p1v s SER 142 Cb 0.00 -2.11 0.07 0.00 0.10 0.00 0.00 66.02 64.08 1p1v s SER 142 CO 0.00 -2.42 0.87 -0.13 0.98 0.00 0.00 173.24 172.54 1p1v s ARG 143 N -5.01 3.14 0.02 4.02 0.52 -1.26 -0.98 118.95 119.40 1p1v s ARG 143 Ca 0.63 -0.82 -0.17 0.00 -0.52 0.00 0.00 55.73 54.84 1p1v s ARG 143 Cb -0.17 -4.19 -0.30 0.00 0.52 0.00 0.00 34.95 30.82 1p1v s ARG 143 CO 0.56 -1.64 1.04 -0.07 0.02 0.00 0.00 175.30 175.22 1p1v h LEU 144 N 10.84 0.75 -7.54 2.53 3.38 -1.41 -3.47 115.31 120.39 1p1v h LEU 144 Ca -0.28 -0.86 -0.09 0.00 0.09 0.00 0.00 57.88 56.74 1p1v h LEU 144 Cb 1.08 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.42 1p1v h LEU 144 CO 1.12 1.54 -0.23 0.00 0.09 0.00 0.00 178.44 180.96 1p1v s ALA 145 N -2.84 -0.70 0.25 1.53 0.00 -1.18 -4.14 121.76 114.67 1p1v s ALA 145 Ca -0.11 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 1p1v s ALA 145 Cb 0.04 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.53 1p1v s ALA 145 CO 0.90 -0.43 0.66 0.00 0.00 0.00 0.00 175.76 176.89 1p1v s GLY 147 N -2.90 -0.44 0.07 0.00 0.00 -0.83 -1.34 107.32 101.88 1p1v s GLY 147 Ca 0.11 0.56 -0.30 0.00 0.00 0.00 0.00 44.72 45.08 1p1v s GLY 147 CO 0.03 0.18 0.98 0.14 0.00 0.00 0.00 173.10 174.43 1p1v s VAL 148 N -3.44 4.62 -0.29 1.40 1.01 -1.26 -1.21 120.40 121.24 1p1v s VAL 148 Ca 0.05 2.05 -0.29 0.00 0.00 0.00 0.00 61.98 63.79 1p1v s VAL 148 Cb -0.02 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.07 1p1v s VAL 148 CO -0.07 0.25 1.05 -0.63 0.00 0.00 0.00 175.10 175.70 1p1v s ILE 149 N 0.41 4.58 0.14 2.22 1.01 0.07 -4.51 121.20 125.12 1p1v s ILE 149 Ca 0.49 1.80 0.06 0.00 0.00 0.00 0.00 60.65 63.01 1p1v s ILE 149 Cb -0.23 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 1p1v s ILE 149 CO 0.29 -0.37 0.00 -0.83 0.00 0.00 0.00 174.94 174.04 1p1v s GLY 150 N 1.50 1.79 0.25 6.18 0.00 0.12 0.08 107.32 117.24 1p1v s GLY 150 Ca 0.44 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 1p1v s GLY 150 CO 0.12 -1.27 1.43 -0.42 0.00 0.00 0.00 173.10 172.96 1p1v s ILE 151 N -1.57 2.69 0.18 0.90 1.01 -1.26 -0.57 121.20 122.58 1p1v s ILE 151 Ca 0.27 0.58 0.09 0.00 0.00 0.00 0.00 60.65 61.59 1p1v s ILE 151 Cb -0.10 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1p1v s ILE 151 CO 0.19 0.09 -0.19 0.00 0.00 0.00 0.00 174.94 175.03 1p1v s ALA 152 N -0.01 2.13 -2.00 9.38 0.00 -0.53 -4.79 121.76 125.93 1p1v s ALA 152 Ca 0.59 -1.54 0.26 0.00 0.00 0.00 0.00 51.96 51.27 1p1v s ALA 152 Cb -0.42 -0.21 1.57 0.00 0.00 0.00 0.00 23.12 24.07 1p1v s ALA 152 CO 0.43 0.26 1.92 0.94 0.00 0.00 0.00 175.76 179.31