#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1v n THR 2 N 0.00 0.00 -3.95 0.00 -2.24 -1.26 -4.67 114.28 102.16 1p1v n THR 2 Ca 0.00 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1p1v n THR 2 Cb 0.00 0.67 -0.12 0.00 -2.10 0.00 0.00 70.33 68.78 1p1v n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p1v s LYS 3 N -2.00 0.20 0.18 -0.78 1.02 -1.26 -0.34 119.74 116.77 1p1v s LYS 3 Ca -0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 55.97 55.58 1p1v s LYS 3 Cb 0.04 0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 1p1v s LYS 3 CO 0.24 -0.02 0.22 0.00 -0.92 0.00 0.00 175.35 174.87 1p1v s ALA 4 N -0.83 0.53 0.04 5.17 0.00 -0.45 -1.27 121.76 124.95 1p1v s ALA 4 Ca -0.09 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.43 1p1v s ALA 4 Cb -0.06 1.07 0.03 0.00 0.00 0.00 0.00 23.12 24.16 1p1v s ALA 4 CO -0.01 -0.63 0.35 0.54 0.00 0.00 0.00 175.76 176.02 1p1v s VAL 5 N -4.06 0.07 -0.13 0.00 0.11 -0.15 -0.47 120.40 115.77 1p1v s VAL 5 Ca 0.27 -0.56 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1p1v s VAL 5 Cb 0.05 -0.91 0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1p1v s VAL 5 CO 0.06 -0.31 0.29 0.00 -3.33 0.00 0.00 175.10 171.81 1p1v s VAL 7 N 1.42 5.20 -0.19 0.00 1.01 -1.26 -1.13 120.40 125.45 1p1v s VAL 7 Ca -0.08 0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 1p1v s VAL 7 Cb -0.10 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1p1v s VAL 7 CO -0.10 0.11 0.36 -0.76 0.00 0.00 0.00 175.10 174.72 1p1v s LEU 8 N 2.00 4.17 0.11 3.92 2.01 0.41 -3.81 118.68 127.48 1p1v s LEU 8 Ca 0.13 0.49 -0.07 0.00 0.01 0.00 0.00 54.13 54.69 1p1v s LEU 8 Cb -0.16 -2.46 -0.01 0.00 0.01 0.00 0.00 46.19 43.56 1p1v s LEU 8 CO 0.11 -0.03 0.17 -0.54 1.01 0.00 0.00 176.35 177.07 1p1v s LYS 9 N 1.10 0.92 0.00 1.70 1.02 -0.43 -1.78 119.74 122.28 1p1v s LYS 9 Ca 0.18 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1p1v s LYS 9 Cb -0.14 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1p1v s LYS 9 CO 0.07 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1p1v n GLY 10 N -0.09 3.66 0.06 -3.33 0.00 -1.25 -1.13 105.19 103.11 1p1v n GLY 10 Ca -0.11 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 0.66 0.00 1.61 8.00 -1.26 -4.91 116.55 120.65 1p1v n ASP 11 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1p1v n ASP 11 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.36 4.16 0.23 0.44 0.00 -1.26 -5.02 105.19 105.09 1p1v n GLY 12 Ca 0.03 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 1.27 -2.84 1.61 -0.04 -1.26 -4.87 135.00 128.87 1p1v n PRO 13 Ca 0.00 -0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 62.59 1p1v n PRO 13 Cb 0.00 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.05 4.91 0.02 0.52 1.01 -1.26 -4.26 120.40 119.30 1p1v s VAL 14 Ca 0.42 1.80 -0.18 0.00 0.00 0.00 0.00 61.98 64.02 1p1v s VAL 14 Cb 0.21 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1p1v s VAL 14 CO 0.36 0.14 0.40 0.00 0.00 0.00 0.00 175.10 176.01 1p1v s GLN 15 N 1.27 0.86 0.03 2.72 -2.07 -0.73 -3.80 119.66 117.93 1p1v s GLN 15 Ca 0.45 -0.26 -0.23 0.00 -1.82 0.00 0.00 55.36 53.50 1p1v s GLN 15 Cb -0.19 0.38 0.08 0.00 -1.09 0.00 0.00 33.01 32.19 1p1v s GLN 15 CO 0.21 -0.28 1.03 0.41 -1.32 0.00 0.00 175.29 175.35 1p1v n GLY 16 N 0.76 0.39 2.90 2.60 0.00 -0.73 -0.97 105.19 110.14 1p1v n GLY 16 Ca -0.19 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.06 0.65 -0.06 -0.61 1.01 -0.90 -0.45 121.20 118.78 1p1v s ILE 17 Ca 0.24 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1p1v s ILE 17 Cb -0.01 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 1p1v s ILE 17 CO 0.01 0.26 -0.22 -0.63 0.00 0.00 0.00 174.94 174.36 1p1v s ILE 18 N 1.10 1.88 0.09 2.92 -1.09 -0.28 -2.33 121.20 123.49 1p1v s ILE 18 Ca -0.08 -0.95 0.05 0.00 -2.23 0.00 0.00 60.65 57.44 1p1v s ILE 18 Cb -0.14 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 1p1v s ILE 18 CO -0.01 0.52 -0.02 0.20 -1.23 0.00 0.00 174.94 174.41 1p1v s ASN 19 N 0.03 4.92 -0.00 3.58 0.01 0.79 -0.74 114.94 123.53 1p1v s ASN 19 Ca -0.08 -0.21 0.05 0.00 -0.71 0.00 0.00 52.86 51.91 1p1v s ASN 19 Cb -0.14 -1.14 -0.01 0.00 0.41 0.00 0.00 41.25 40.36 1p1v s ASN 19 CO 0.05 0.18 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.31 1p1v s PHE 20 N -1.28 1.29 -0.06 2.20 0.40 0.38 -1.30 117.98 119.60 1p1v s PHE 20 Ca 0.25 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.28 1p1v s PHE 20 Cb -0.12 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.63 1p1v s PHE 20 CO 0.17 -0.01 0.13 -2.00 0.70 0.00 0.00 175.22 174.21 1p1v s GLU 21 N -0.49 0.10 -0.31 0.44 2.12 -0.07 -1.35 118.70 119.14 1p1v s GLU 21 Ca 0.05 0.29 -0.02 0.00 0.36 0.00 0.00 54.97 55.65 1p1v s GLU 21 Cb -0.06 -0.10 0.10 0.00 0.26 0.00 0.00 34.13 34.33 1p1v s GLU 21 CO -0.00 -0.11 0.12 -1.14 -0.54 0.00 0.00 175.26 173.58 1p1v s GLN 22 N 0.79 0.51 0.24 4.30 0.74 0.54 -0.51 119.66 126.27 1p1v s GLN 22 Ca -0.06 -0.90 -0.06 0.00 0.05 0.00 0.00 55.36 54.39 1p1v s GLN 22 Cb -0.08 -1.64 0.26 0.00 1.10 0.00 0.00 33.01 32.66 1p1v s GLN 22 CO -0.04 -1.02 1.90 -0.22 -0.55 0.00 0.00 175.29 175.37 1p1v h LYS 23 N 8.13 1.19 -5.27 1.67 3.64 -1.80 -3.41 116.57 120.72 1p1v h LYS 23 Ca -0.15 -0.07 -0.57 0.00 -1.27 0.00 0.00 60.65 58.59 1p1v h LYS 23 Cb 1.01 -0.27 -0.32 0.00 -0.41 0.00 0.00 32.23 32.24 1p1v h LYS 23 CO 0.45 0.79 -0.84 -1.21 -2.27 0.00 0.00 179.45 176.37 1p1v s GLU 24 N -6.11 1.88 0.55 1.90 2.02 -1.26 -5.03 118.70 112.65 1p1v s GLU 24 Ca -0.13 -0.62 0.30 0.00 0.02 0.00 0.00 54.97 54.54 1p1v s GLU 24 Cb 0.18 -1.61 1.58 0.00 0.10 0.00 0.00 34.13 34.37 1p1v s GLU 24 CO 0.81 0.23 2.11 0.66 0.02 0.00 0.00 175.26 179.09 1p1v h SER 25 N 6.34 0.00 -0.54 -0.19 4.64 -1.94 0.40 113.55 122.26 1p1v h SER 25 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1p1v h SER 25 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1p1v h SER 25 CO 0.48 0.09 0.00 0.59 -0.87 0.00 0.00 176.83 177.11 1p1v n ASN 26 N -3.56 4.84 -4.63 4.97 3.02 -1.26 -4.91 115.26 113.73 1p1v n ASN 26 Ca -0.02 -2.69 -0.23 0.00 -0.03 0.00 0.00 54.58 51.61 1p1v n ASN 26 Cb 0.21 -0.59 0.01 0.00 -0.61 0.00 0.00 39.78 38.80 1p1v n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p1v n GLY 27 N 0.63 2.67 3.76 7.41 0.00 0.13 -5.12 105.19 114.67 1p1v n GLY 27 Ca 0.25 -2.28 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1p1v n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1p1v s PRO 28 N -4.13 1.91 -0.19 1.61 0.02 -1.26 -4.90 135.00 128.06 1p1v s PRO 28 Ca 0.32 0.89 -0.05 0.00 0.02 0.00 0.00 61.00 62.18 1p1v s PRO 28 Cb -0.03 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1p1v s PRO 28 CO 0.20 -1.81 0.01 0.08 -0.33 0.00 0.00 177.00 175.15 1p1v s VAL 29 N -2.99 4.08 0.03 3.83 1.01 0.36 -4.44 120.40 122.28 1p1v s VAL 29 Ca 0.62 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 1p1v s VAL 29 Cb -0.16 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1p1v s VAL 29 CO 0.56 0.44 0.81 -0.54 0.00 0.00 0.00 175.10 176.37 1p1v s LYS 30 N 0.82 4.52 -0.15 2.72 1.02 0.34 -0.79 119.74 128.22 1p1v s LYS 30 Ca 0.01 1.14 0.01 0.00 0.02 0.00 0.00 55.97 57.15 1p1v s LYS 30 Cb -0.14 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1p1v s LYS 30 CO 0.02 0.19 -0.18 0.08 -0.92 0.00 0.00 175.35 174.55 1p1v s VAL 31 N 0.24 1.81 -0.01 3.17 1.01 -0.03 -0.89 120.40 125.69 1p1v s VAL 31 Ca 0.41 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 1p1v s VAL 31 Cb -0.20 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.58 1p1v s VAL 31 CO 0.24 0.50 0.49 -1.66 0.00 0.00 0.00 175.10 174.67 1p1v s TRP 32 N 1.24 -0.40 -5.00 5.22 -2.14 -0.42 -1.06 118.94 116.37 1p1v s TRP 32 Ca 0.01 0.62 0.00 0.00 2.66 0.00 0.00 56.10 59.39 1p1v s TRP 32 Cb -0.14 0.26 0.00 0.00 -3.10 0.00 0.00 33.47 30.50 1p1v s TRP 32 CO -0.09 -0.53 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 1p1v n GLY 33 N 0.94 -0.43 3.27 3.67 0.00 -0.52 -0.15 105.19 111.97 1p1v n GLY 33 Ca -0.20 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.41 -0.07 1.61 0.15 -0.98 -0.26 113.70 109.74 1p1v s SER 34 Ca 0.00 0.78 0.04 0.00 0.70 0.00 0.00 55.95 57.47 1p1v s SER 34 Cb 0.00 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1p1v s SER 34 CO 0.00 -0.14 -0.20 -0.63 1.20 0.00 0.00 173.24 173.47 1p1v s ILE 35 N 0.40 1.69 0.37 6.45 1.01 -0.26 -2.11 121.20 128.76 1p1v s ILE 35 Ca -0.02 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1p1v s ILE 35 Cb -0.04 -1.47 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 1p1v s ILE 35 CO -0.02 0.48 -0.03 -1.59 0.00 0.00 0.00 174.94 173.79 1p1v s LYS 36 N 0.30 1.86 0.00 2.79 -2.85 -0.14 -0.25 119.74 121.45 1p1v s LYS 36 Ca -0.13 -2.01 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 1p1v s LYS 36 Cb -0.16 -1.57 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 1p1v s LYS 36 CO 0.06 0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.93 1p1v n GLY 37 N -0.86 0.53 3.89 0.59 0.00 -0.97 -1.77 105.19 106.60 1p1v n GLY 37 Ca -0.05 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 3.95 0.45 0.99 1.43 -0.75 -4.27 118.68 120.48 1p1v s LEU 38 Ca 0.00 0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 53.76 1p1v s LEU 38 Cb 0.00 -3.74 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 1p1v s LEU 38 CO 0.00 -0.29 1.12 0.42 0.23 0.00 0.00 176.35 177.83 1p1v s THR 39 N -2.22 3.32 0.17 5.49 -4.23 -1.26 -4.02 115.64 112.89 1p1v s THR 39 Ca 0.47 0.97 -0.33 0.00 -1.18 0.00 0.00 61.69 61.62 1p1v s THR 39 Cb -0.10 -3.48 -0.14 0.00 1.34 0.00 0.00 72.50 70.11 1p1v s THR 39 CO 0.31 -0.03 1.45 1.21 -0.54 0.00 0.00 174.62 177.01 1p1v n GLU 40 N -0.47 1.86 0.00 3.99 2.13 -1.26 -4.60 120.64 122.29 1p1v n GLU 40 Ca 0.07 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1p1v n GLU 40 Cb 0.49 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 2.74 0.45 3.81 8.31 0.00 -0.22 -4.93 105.19 115.34 1p1v n GLY 41 Ca 0.15 -2.29 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 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 4.44 -0.06 0.99 1.43 -1.26 -0.94 118.68 123.28 1p1v s LEU 42 Ca 0.00 1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1p1v s LEU 42 Cb 0.00 -3.33 0.03 0.00 0.03 0.00 0.00 46.19 42.92 1p1v s LEU 42 CO 0.00 0.14 0.01 -1.00 0.23 0.00 0.00 176.35 175.73 1p1v s HIS 43 N -1.34 0.48 0.38 0.29 3.76 0.15 -3.05 115.29 115.96 1p1v s HIS 43 Ca 0.38 -0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 54.98 1p1v s HIS 43 Cb -0.19 -0.66 -0.12 0.00 1.11 0.00 0.00 32.58 32.73 1p1v s HIS 43 CO 0.22 -0.26 1.04 0.41 -0.85 0.00 0.00 174.74 175.30 1p1v n GLY 44 N 4.97 -0.13 2.65 -2.22 0.00 0.13 -0.69 105.19 109.90 1p1v n GLY 44 Ca -0.10 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.20 0.52 0.05 1.61 5.36 0.40 -0.62 117.98 124.10 1p1v s PHE 45 Ca 0.61 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 56.04 1p1v s PHE 45 Cb -0.60 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.22 1p1v s PHE 45 CO 0.58 -0.57 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.67 1p1v s HIS 46 N 2.03 0.81 -0.32 10.12 3.76 -0.50 -2.29 115.29 128.90 1p1v s HIS 46 Ca 0.02 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.29 1p1v s HIS 46 Cb -0.16 -0.47 -0.02 0.00 1.11 0.00 0.00 32.58 33.03 1p1v s HIS 46 CO -0.11 -0.05 0.37 0.08 -0.85 0.00 0.00 174.74 174.18 1p1v s VAL 47 N -1.34 5.16 0.30 -0.90 1.01 -0.07 -0.29 120.40 124.28 1p1v s VAL 47 Ca -0.08 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 1p1v s VAL 47 Cb -0.10 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1p1v s VAL 47 CO 0.01 -0.01 0.57 -1.00 0.00 0.00 0.00 175.10 174.67 1p1v s HIS 48 N 2.06 3.48 0.15 5.22 3.76 0.90 -0.95 115.29 129.92 1p1v s HIS 48 Ca 0.13 0.65 -0.16 0.00 -0.15 0.00 0.00 55.06 55.53 1p1v s HIS 48 Cb -0.16 -2.11 0.02 0.00 1.11 0.00 0.00 32.58 31.44 1p1v s HIS 48 CO 0.11 0.14 1.78 1.49 -0.85 0.00 0.00 174.74 177.41 1p1v h GLU 49 N 1.56 0.60 -5.79 1.40 4.81 -0.72 -2.67 114.58 113.77 1p1v h GLU 49 Ca -0.48 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 58.03 1p1v h GLU 49 Cb 1.19 -0.12 -0.16 0.00 0.63 0.00 0.00 28.75 30.29 1p1v h GLU 49 CO 0.66 0.45 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.71 1p1v s PHE 50 N -5.95 3.16 -0.62 0.92 0.08 -0.23 -4.65 117.98 110.70 1p1v s PHE 50 Ca -0.13 0.12 -0.05 0.00 0.12 0.00 0.00 56.93 56.99 1p1v s PHE 50 Cb 0.11 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1p1v s PHE 50 CO 0.74 0.37 2.90 0.41 -0.10 0.00 0.00 175.22 179.54 1p1v n GLY 51 N 2.49 4.22 3.15 4.36 0.00 -1.00 -3.62 105.19 114.79 1p1v n GLY 51 Ca -0.18 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 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 0.86 5.07 -0.27 1.61 -1.08 -1.26 -4.94 116.67 116.66 1p1v s ASP 52 Ca 0.61 -1.60 0.11 0.00 -0.52 0.00 0.00 52.55 51.14 1p1v s ASP 52 Cb 0.31 -1.77 0.53 0.00 -1.46 0.00 0.00 42.92 40.53 1p1v s ASP 52 CO -0.14 -0.38 1.49 0.59 0.52 0.00 0.00 175.17 177.25 1p1v n ASN 53 N 4.61 3.00 0.16 -0.34 5.03 -1.26 -2.90 115.26 123.57 1p1v n ASN 53 Ca -0.08 -3.54 0.06 0.00 0.87 0.00 0.00 54.58 51.89 1p1v n ASN 53 Cb 0.43 -0.63 0.53 0.00 -1.02 0.00 0.00 39.78 39.09 1p1v n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1p1v h THR 54 N 1.24 1.07 -1.46 3.41 1.35 -1.93 -1.84 112.91 114.75 1p1v h THR 54 Ca 0.19 -0.23 -0.63 0.00 -0.55 0.00 0.00 66.41 65.20 1p1v h THR 54 Cb 1.71 0.92 -0.38 0.00 -1.73 0.00 0.00 68.15 68.66 1p1v h THR 54 CO 0.40 0.08 -0.23 0.00 -0.25 0.00 0.00 175.52 175.52 1p1v n ALA 55 N -2.51 5.47 -0.75 6.62 0.00 -1.26 -5.07 120.51 123.02 1p1v n ALA 55 Ca -0.01 -4.13 0.00 0.00 0.00 0.00 0.00 53.44 49.30 1p1v n ALA 55 Cb 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.56 2.65 0.16 0.00 0.00 -0.69 -2.34 105.19 104.41 1p1v n GLY 56 Ca 0.45 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 1.25 0.00 0.00 2.02 -1.80 -2.88 112.91 111.51 1p1v h THR 58 Ca 0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1p1v h THR 58 Cb 0.70 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1p1v h THR 58 CO 0.00 0.38 0.00 -1.54 0.37 0.00 0.00 175.52 174.73 1p1v n SER 59 N -4.21 0.00 0.02 4.18 3.41 -1.24 -2.61 113.62 113.17 1p1v n SER 59 Ca 0.04 -0.78 0.10 0.00 -0.26 0.00 0.00 58.87 57.96 1p1v n SER 59 Cb 0.30 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.68 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 -0.92 1.90 -0.36 7.33 0.00 -1.09 -4.39 120.51 122.99 1p1v n ALA 60 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1p1v n ALA 60 Cb 0.06 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.52 -0.50 3.10 0.00 0.00 -1.07 -1.06 105.19 106.17 1p1v n GLY 61 Ca 0.04 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 -0.70 -1.77 1.61 -0.04 -1.26 -4.62 135.00 128.22 1p1v n PRO 62 Ca 0.00 -1.82 -0.40 0.00 -0.04 0.00 0.00 63.50 61.24 1p1v n PRO 62 Cb 0.00 -0.92 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -3.19 2.81 -1.94 0.54 8.25 -1.26 -0.66 115.22 119.77 1p1v n HIS 63 Ca 0.13 0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 57.62 1p1v n HIS 63 Cb 0.47 -2.49 -0.03 0.00 1.12 0.00 0.00 29.99 29.06 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 -1.16 2.21 -0.40 4.41 5.36 -0.12 -4.51 117.98 123.77 1p1v s PHE 64 Ca 0.58 0.23 0.10 0.00 -0.96 0.00 0.00 56.93 56.88 1p1v s PHE 64 Cb -0.46 -3.96 0.34 0.00 -0.34 0.00 0.00 43.02 38.59 1p1v s PHE 64 CO 0.60 -3.95 0.88 -1.71 -1.46 0.00 0.00 175.22 169.58 1p1v n ASN 65 N 6.20 -0.38 0.26 6.13 5.15 -1.26 -1.31 115.26 130.05 1p1v n ASN 65 Ca 0.16 -3.28 0.17 0.00 -0.60 0.00 0.00 54.58 51.04 1p1v n ASN 65 Cb 0.41 0.36 0.69 0.00 -0.53 0.00 0.00 39.78 40.71 1p1v n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1p1v h PRO 66 N 3.00 0.00 -0.54 1.20 0.13 -1.90 -2.79 132.00 131.10 1p1v h PRO 66 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1p1v h PRO 66 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1p1v h PRO 66 CO 0.36 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.41 1p1v n LEU 67 N -2.94 3.45 -3.58 1.56 4.77 -1.26 -4.98 117.00 114.02 1p1v n LEU 67 Ca 0.01 -1.62 -0.21 0.00 -0.03 0.00 0.00 56.01 54.16 1p1v n LEU 67 Cb 0.28 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1p1v n LEU 67 CO 0.25 0.81 0.10 -1.20 -1.33 0.00 0.00 177.39 176.02 1p1v n SER 68 N 1.42 -3.02 -4.97 -1.43 7.64 -1.05 -5.01 113.62 107.20 1p1v n SER 68 Ca 0.21 -0.66 -0.21 0.00 1.01 0.00 0.00 58.87 59.21 1p1v n SER 68 Cb 0.57 -4.74 0.02 0.00 -1.01 0.00 0.00 64.21 59.05 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 -5.83 2.38 0.37 1.43 1.81 -1.26 -5.13 118.95 112.71 1p1v s ARG 69 Ca 0.19 -1.70 0.01 0.00 -1.72 0.00 0.00 55.73 52.51 1p1v s ARG 69 Cb -0.09 -2.46 -0.02 0.00 -0.45 0.00 0.00 34.95 31.93 1p1v s ARG 69 CO 0.76 -0.63 0.57 0.15 -0.68 0.00 0.00 175.30 175.47 1p1v s LYS 70 N -4.44 3.36 0.34 3.54 1.02 -1.26 -4.74 119.74 117.56 1p1v s LYS 70 Ca 0.51 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 1p1v s LYS 70 Cb -0.05 -2.65 -0.10 0.00 -0.52 0.00 0.00 37.83 34.51 1p1v s LYS 70 CO 0.31 0.05 1.37 -1.58 -0.92 0.00 0.00 175.35 174.58 1p1v s HIS 71 N -2.36 2.92 0.01 3.18 5.65 -1.26 -2.87 115.29 120.56 1p1v s HIS 71 Ca 0.42 1.32 -0.00 0.00 0.25 0.00 0.00 55.06 57.04 1p1v s HIS 71 Cb -0.10 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.52 1p1v s HIS 71 CO 0.36 -2.24 0.01 0.41 -0.65 0.00 0.00 174.74 172.64 1p1v n GLY 72 N 0.83 2.63 3.97 1.59 0.00 -1.24 -4.38 105.19 108.58 1p1v n GLY 72 Ca 0.01 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.05 1.80 0.47 -0.02 0.00 -1.21 -4.66 107.32 102.64 1p1v s GLY 73 Ca 0.01 -1.25 0.21 0.00 0.00 0.00 0.00 44.72 43.68 1p1v s GLY 73 CO 0.00 -0.95 1.99 -0.56 0.00 0.00 0.00 173.10 173.58 1p1v h PRO 74 N -0.03 0.00 -0.71 2.90 0.13 -1.86 -1.53 132.00 130.90 1p1v h PRO 74 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1p1v h PRO 74 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1p1v h PRO 74 CO 0.54 0.19 0.00 1.63 -0.23 0.00 0.00 178.00 180.13 1p1v n LYS 75 N -3.89 2.86 -3.13 0.86 4.76 -1.26 -4.90 118.16 113.46 1p1v n LYS 75 Ca -0.02 -2.64 -0.33 0.00 -2.87 0.00 0.00 58.31 52.46 1p1v n LYS 75 Cb 0.28 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 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 -0.98 6.78 0.07 4.39 1.01 -0.58 -4.99 116.67 122.38 1p1v s ASP 76 Ca 0.49 1.29 -0.09 0.00 0.71 0.00 0.00 52.55 54.95 1p1v s ASP 76 Cb 0.26 -2.38 -0.27 0.00 1.01 0.00 0.00 42.92 41.55 1p1v s ASP 76 CO 0.31 -0.20 1.13 -0.08 0.21 0.00 0.00 175.17 176.54 1p1v h GLU 77 N 2.27 0.42 -6.03 8.23 4.22 -1.90 -3.39 114.58 118.39 1p1v h GLU 77 Ca -0.48 -0.63 -0.58 0.00 0.08 0.00 0.00 59.36 57.75 1p1v h GLU 77 Cb 1.17 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.54 1p1v h GLU 77 CO 0.65 1.28 1.00 -2.00 -2.18 0.00 0.00 179.01 177.76 1p1v s GLU 78 N -2.80 3.26 0.15 1.92 2.56 -1.26 -4.94 118.70 117.58 1p1v s GLU 78 Ca -0.06 -0.61 -0.20 0.00 0.00 0.00 0.00 54.97 54.10 1p1v s GLU 78 Cb 0.06 -4.42 0.05 0.00 2.00 0.00 0.00 34.13 31.82 1p1v s GLU 78 CO 0.90 -2.06 0.51 -0.98 -0.56 0.00 0.00 175.26 173.07 1p1v s ARG 79 N 5.06 1.19 0.53 4.30 1.70 -1.14 -3.69 118.95 126.91 1p1v s ARG 79 Ca 0.34 -0.58 -0.17 0.00 -0.47 0.00 0.00 55.73 54.84 1p1v s ARG 79 Cb -0.09 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 34.77 1p1v s ARG 79 CO 0.08 -0.50 1.03 -1.01 -1.08 0.00 0.00 175.30 173.82 1p1v s HIS 80 N -3.78 3.12 0.32 5.89 3.76 -1.15 -4.58 115.29 118.88 1p1v s HIS 80 Ca 0.02 1.53 0.03 0.00 -0.15 0.00 0.00 55.06 56.49 1p1v s HIS 80 Cb 0.00 -2.96 0.63 0.00 1.11 0.00 0.00 32.58 31.36 1p1v s HIS 80 CO -0.12 -0.79 1.90 0.28 -0.85 0.00 0.00 174.74 175.15 1p1v h VAL 81 N 0.95 0.98 0.00 -0.90 2.07 -1.86 -1.99 116.25 115.51 1p1v h VAL 81 Ca -0.48 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1p1v h VAL 81 Cb 1.21 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1p1v h VAL 81 CO 0.59 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1p1v n GLY 82 N -1.40 -0.87 3.47 2.17 0.00 -0.43 -4.37 105.19 103.76 1p1v n GLY 82 Ca 0.15 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 6.65 -0.13 1.61 1.01 -0.75 -0.89 116.67 122.71 1p1v s ASP 83 Ca 0.16 -2.05 0.15 0.00 0.71 0.00 0.00 52.55 51.52 1p1v s ASP 83 Cb 0.07 -2.43 0.67 0.00 1.01 0.00 0.00 42.92 42.25 1p1v s ASP 83 CO 0.12 -1.10 1.56 0.18 0.21 0.00 0.00 175.17 176.14 1p1v n LEU 84 N 6.84 4.56 0.00 1.23 4.77 -0.97 -3.29 117.00 130.14 1p1v n LEU 84 Ca 0.27 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 1p1v n LEU 84 Cb 0.49 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1p1v n LEU 84 CO 0.54 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1p1v n GLY 85 N 0.94 0.74 3.17 -0.72 0.00 -1.18 -4.73 105.19 103.41 1p1v n GLY 85 Ca 0.24 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 1.87 0.19 1.61 0.01 -1.26 -0.45 114.94 112.90 1p1v s ASN 86 Ca 0.00 -0.50 0.03 0.00 -0.71 0.00 0.00 52.86 51.68 1p1v s ASN 86 Cb 0.00 -0.12 -0.03 0.00 0.41 0.00 0.00 41.25 41.51 1p1v s ASN 86 CO 0.00 0.04 0.32 0.68 -1.51 0.00 0.00 177.10 176.64 1p1v s VAL 87 N -0.91 5.29 -0.19 1.60 -7.23 0.13 -4.88 120.40 114.21 1p1v s VAL 87 Ca 0.03 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 1p1v s VAL 87 Cb -0.08 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 33.07 1p1v s VAL 87 CO 0.02 -0.20 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.57 1p1v s THR 88 N -1.85 2.52 -0.04 5.32 2.01 -1.26 -0.67 115.64 121.67 1p1v s THR 88 Ca 0.35 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 1p1v s THR 88 Cb -0.10 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 1p1v s THR 88 CO 0.29 0.50 0.33 0.00 -0.69 0.00 0.00 174.62 175.05 1p1v s ALA 89 N 1.30 3.74 0.92 7.40 0.00 -0.12 -4.13 121.76 130.87 1p1v s ALA 89 Ca 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1p1v s ALA 89 Cb -0.14 -2.28 0.06 0.00 0.00 0.00 0.00 23.12 20.77 1p1v s ALA 89 CO -0.09 0.51 0.38 -0.40 0.00 0.00 0.00 175.76 176.16 1p1v n ASP 90 N 1.90 0.09 0.09 0.00 5.68 -0.03 -1.06 116.55 123.22 1p1v n ASP 90 Ca -0.15 -1.17 0.10 0.00 -0.50 0.00 0.00 54.79 53.07 1p1v n ASP 90 Cb 0.53 -0.28 0.43 0.00 -1.14 0.00 0.00 41.12 40.66 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 -1.79 0.13 -0.24 0.11 2.85 -1.26 -1.30 118.16 116.66 1p1v n LYS 91 Ca 0.05 0.36 0.11 0.00 -1.05 0.00 0.00 58.31 57.77 1p1v n LYS 91 Cb 0.17 -1.75 0.27 0.00 -0.65 0.00 0.00 35.03 33.07 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 -1.99 3.14 0.00 -5.58 8.00 -1.26 -4.87 116.55 113.99 1p1v n ASP 92 Ca 0.03 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1p1v n ASP 92 Cb 0.21 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.44 0.54 3.45 0.44 0.00 -0.42 -4.73 105.19 105.91 1p1v n GLY 93 Ca 0.20 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 3.84 -0.42 1.61 1.01 -1.26 -1.81 120.40 121.37 1p1v s VAL 94 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1p1v s VAL 94 Cb 0.00 -2.72 0.09 0.00 0.00 0.00 0.00 36.38 33.76 1p1v s VAL 94 CO 0.00 0.45 0.25 0.00 0.00 0.00 0.00 175.10 175.81 1p1v s ALA 95 N 0.82 3.26 -0.05 5.51 0.00 0.66 -0.85 121.76 131.11 1p1v s ALA 95 Ca -0.00 -2.31 -0.26 0.00 0.00 0.00 0.00 51.96 49.39 1p1v s ALA 95 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1p1v s ALA 95 CO 0.02 -1.72 0.80 -0.51 0.00 0.00 0.00 175.76 174.34 1p1v s ASP 96 N 2.15 7.12 -0.12 0.00 1.01 -1.26 -1.10 116.67 124.47 1p1v s ASP 96 Ca 0.04 1.35 0.01 0.00 0.71 0.00 0.00 52.55 54.66 1p1v s ASP 96 Cb -0.24 -2.47 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 1p1v s ASP 96 CO -0.00 -0.17 -0.15 -0.69 0.21 0.00 0.00 175.17 174.37 1p1v s VAL 97 N 0.92 2.91 -0.33 -1.27 1.01 0.65 -4.82 120.40 119.46 1p1v s VAL 97 Ca 0.42 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1p1v s VAL 97 Cb -0.19 -2.20 0.18 0.00 0.00 0.00 0.00 36.38 34.17 1p1v s VAL 97 CO 0.21 0.54 0.52 -0.55 0.00 0.00 0.00 175.10 175.82 1p1v s SER 98 N 0.25 -0.68 0.25 3.32 0.15 -1.25 -1.44 113.70 114.30 1p1v s SER 98 Ca -0.10 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.10 1p1v s SER 98 Cb -0.16 1.57 -0.05 0.00 -1.71 0.00 0.00 66.02 65.67 1p1v s SER 98 CO 0.06 -0.27 0.09 0.27 1.20 0.00 0.00 173.24 174.58 1p1v s ILE 99 N 2.30 0.56 -0.01 6.45 -4.36 -0.22 -5.01 121.20 120.91 1p1v s ILE 99 Ca 0.12 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.59 1p1v s ILE 99 Cb -0.10 -2.60 -0.02 0.00 1.25 0.00 0.00 42.46 40.99 1p1v s ILE 99 CO -0.19 -0.03 -0.23 -1.61 0.24 0.00 0.00 174.94 173.12 1p1v s GLU 100 N -4.03 1.80 0.01 0.37 2.02 -1.26 -0.85 118.70 116.75 1p1v s GLU 100 Ca 0.37 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.54 1p1v s GLU 100 Cb 0.08 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.52 1p1v s GLU 100 CO 0.13 0.48 -0.10 0.34 0.02 0.00 0.00 175.26 176.13 1p1v s ASP 101 N -0.65 1.15 -0.07 -0.19 2.15 0.03 -4.97 116.67 114.13 1p1v s ASP 101 Ca 0.09 -0.25 0.13 0.00 0.43 0.00 0.00 52.55 52.94 1p1v s ASP 101 Cb -0.09 -0.10 0.37 0.00 -0.30 0.00 0.00 42.92 42.80 1p1v s ASP 101 CO -0.00 0.07 1.30 -1.20 -0.17 0.00 0.00 175.17 175.17 1p1v n SER 102 N 2.56 3.23 -0.04 -0.34 7.64 -1.26 -0.49 113.62 124.91 1p1v n SER 102 Ca -0.15 -2.41 -0.07 0.00 1.01 0.00 0.00 58.87 57.25 1p1v n SER 102 Cb 0.56 -0.34 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.03 0.48 -1.24 0.44 0.31 -1.26 -4.92 118.33 112.16 1p1v n VAL 103 Ca 0.15 -0.16 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 1p1v n VAL 103 Cb 0.60 -1.11 0.10 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.16 2.67 0.16 2.52 -4.36 -1.26 -4.85 121.20 113.91 1p1v s ILE 104 Ca -0.12 0.26 -0.07 0.00 -0.26 0.00 0.00 60.65 60.46 1p1v s ILE 104 Cb 0.04 -2.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 1p1v s ILE 104 CO 0.18 -0.24 0.24 -0.55 0.24 0.00 0.00 174.94 174.81 1p1v s SER 105 N -2.66 0.09 0.00 4.36 0.15 -1.02 -4.58 113.70 110.05 1p1v s SER 105 Ca 0.67 -0.93 0.20 0.00 0.70 0.00 0.00 55.95 56.60 1p1v s SER 105 Cb -0.23 0.41 0.56 0.00 -1.71 0.00 0.00 66.02 65.05 1p1v s SER 105 CO 0.51 -0.86 1.47 0.18 1.20 0.00 0.00 173.24 175.73 1p1v n LEU 106 N -0.19 3.71 -3.88 3.45 4.77 -1.26 -1.50 117.00 122.10 1p1v n LEU 106 Ca -0.07 -1.93 -0.08 0.00 -0.03 0.00 0.00 56.01 53.90 1p1v n LEU 106 Cb 0.63 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1p1v n LEU 106 CO 0.25 0.91 0.40 -0.94 -1.33 0.00 0.00 177.39 176.69 1p1v s SER 107 N -1.05 -0.23 0.34 -1.43 1.04 -1.26 -4.15 113.70 106.96 1p1v s SER 107 Ca 0.43 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1p1v s SER 107 Cb 0.23 0.69 0.00 0.00 0.10 0.00 0.00 66.02 67.04 1p1v s SER 107 CO 0.30 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1p1v n GLY 108 N -0.44 -0.79 0.25 7.32 0.00 -1.26 -4.09 105.19 106.18 1p1v n GLY 108 Ca -0.04 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 44.96 1p1v n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1p1v n ASP 109 N -0.95 0.91 -4.63 1.61 5.68 -1.26 -4.90 116.55 113.02 1p1v n ASP 109 Ca 0.00 -0.95 -0.39 0.00 -0.50 0.00 0.00 54.79 52.95 1p1v n ASP 109 Cb 0.00 0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 39.93 1p1v n ASP 109 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1p1v s HIS 110 N -2.34 3.29 0.00 2.11 3.76 -1.26 -4.88 115.29 115.97 1p1v s HIS 110 Ca 0.30 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 1p1v s HIS 110 Cb 0.20 -2.55 0.00 0.00 1.11 0.00 0.00 32.58 31.34 1p1v s HIS 110 CO 0.45 -0.15 0.00 0.44 -0.85 0.00 0.00 174.74 174.63 1p1v n ILE 112 N 4.84 0.00 -1.91 0.60 -5.35 -0.56 -2.42 119.36 114.56 1p1v n ILE 112 Ca -0.08 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.98 1p1v n ILE 112 Cb 0.51 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.39 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 2.35 0.00 7.28 1.01 -1.26 -1.69 121.20 128.90 1p1v s ILE 113 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1p1v s ILE 113 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1p1v s ILE 113 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1p1v n GLY 114 N 1.57 0.67 3.95 6.18 0.00 0.59 -4.99 105.19 113.16 1p1v n GLY 114 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1p1v n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p1v s ARG 115 N -0.06 2.24 -0.18 1.61 0.52 -0.68 -2.37 118.95 120.03 1p1v s ARG 115 Ca 0.00 -1.97 -0.03 0.00 -0.52 0.00 0.00 55.73 53.21 1p1v s ARG 115 Cb 0.00 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 1p1v s ARG 115 CO 0.00 -0.75 -0.05 0.99 0.02 0.00 0.00 175.30 175.52 1p1v s THR 116 N -2.78 3.62 0.01 0.02 2.01 -1.01 -0.64 115.64 116.88 1p1v s THR 116 Ca 0.40 -0.44 -0.23 0.00 0.31 0.00 0.00 61.69 61.73 1p1v s THR 116 Cb -0.03 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 1p1v s THR 116 CO 0.25 0.47 0.69 -0.22 -0.69 0.00 0.00 174.62 175.13 1p1v s LEU 117 N 0.78 4.42 -0.03 4.42 2.96 -0.55 -0.07 118.68 130.62 1p1v s LEU 117 Ca -0.02 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.24 1p1v s LEU 117 Cb -0.15 -3.10 -0.00 0.00 0.50 0.00 0.00 46.19 43.44 1p1v s LEU 117 CO 0.02 0.03 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 1p1v s VAL 118 N -0.02 0.93 -0.09 1.68 1.01 0.60 -2.06 120.40 122.46 1p1v s VAL 118 Ca 0.36 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1p1v s VAL 118 Cb -0.19 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1p1v s VAL 118 CO 0.20 0.28 -0.09 0.54 0.00 0.00 0.00 175.10 176.03 1p1v s VAL 119 N 0.06 3.46 0.32 2.92 0.11 -0.46 -1.41 120.40 125.40 1p1v s VAL 119 Ca -0.01 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1p1v s VAL 119 Cb -0.08 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.31 1p1v s VAL 119 CO 0.01 0.56 0.27 -1.00 -3.33 0.00 0.00 175.10 171.61 1p1v s HIS 120 N -0.37 2.94 0.20 1.54 3.76 0.21 -0.72 115.29 122.86 1p1v s HIS 120 Ca 0.05 -0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 54.59 1p1v s HIS 120 Cb -0.12 -1.72 0.22 0.00 1.11 0.00 0.00 32.58 32.07 1p1v s HIS 120 CO 0.02 0.25 1.80 1.49 -0.85 0.00 0.00 174.74 177.46 1p1v h GLU 121 N 1.29 0.63 0.00 1.40 4.81 -0.82 -3.37 114.58 118.52 1p1v h GLU 121 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1p1v h GLU 121 Cb 1.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1p1v h GLU 121 CO 0.59 0.42 0.00 0.36 -0.73 0.00 0.00 179.01 179.64 1p1v n LYS 122 N -4.81 0.09 -2.44 1.92 2.85 -0.24 -4.89 118.16 110.64 1p1v n LYS 122 Ca 0.08 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.95 1p1v n LYS 122 Cb 0.17 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.51 1p1v n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p1v s ALA 123 N -2.00 3.21 0.01 0.58 0.00 -1.17 -0.69 121.76 121.69 1p1v s ALA 123 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 1p1v s ALA 123 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1p1v s ALA 123 CO 0.00 -0.29 1.15 0.34 0.00 0.00 0.00 175.76 176.96 1p1v s ASP 124 N -1.22 7.13 0.00 0.00 -1.08 -1.26 -3.82 116.67 116.43 1p1v s ASP 124 Ca 0.53 1.88 0.26 0.00 -0.52 0.00 0.00 52.55 54.70 1p1v s ASP 124 Cb -0.28 -2.57 1.55 0.00 -1.46 0.00 0.00 42.92 40.16 1p1v s ASP 124 CO 0.35 -0.46 1.91 1.41 0.52 0.00 0.00 175.17 178.90 1p1v n HIS 125 N 4.33 0.00 -2.41 -5.34 8.25 0.02 -4.91 115.22 115.17 1p1v n HIS 125 Ca 0.09 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.36 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 -0.98 -1.79 0.00 2.41 4.77 -1.26 -2.01 117.00 118.13 1p1v n LEU 126 Ca 0.19 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1p1v n LEU 126 Cb 0.09 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 1p1v n LEU 126 CO 0.15 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1p1v n GLY 127 N -0.97 3.45 0.28 -0.72 0.00 -1.26 -3.36 105.19 102.61 1p1v n GLY 127 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1p1v n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p1v n LYS 128 N -1.90 0.31 0.08 1.61 5.02 -0.85 -5.02 118.16 117.41 1p1v n LYS 128 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1p1v n LYS 128 Cb 0.00 -1.09 0.27 0.00 -0.02 0.00 0.00 35.03 34.19 1p1v n LYS 128 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1p1v n LYS 136 N -0.03 0.28 -0.00 1.97 4.81 -1.26 -4.92 118.16 119.01 1p1v n LYS 136 Ca 0.00 0.14 0.02 0.00 -0.87 0.00 0.00 58.31 57.60 1p1v n LYS 136 Cb 0.04 -1.74 -0.03 0.00 0.02 0.00 0.00 35.03 33.33 1p1v n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1p1v n THR 137 N -2.18 0.00 -0.27 3.15 -2.24 -1.26 -4.53 114.28 106.95 1p1v n THR 137 Ca 0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1p1v n THR 137 Cb 0.44 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1p1v n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p1v n GLY 138 N 2.07 1.12 3.76 3.38 0.00 -1.26 -4.53 105.19 109.72 1p1v n GLY 138 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.14 -1.01 1.61 5.15 -1.26 -0.80 115.26 116.82 1p1v n ASN 139 Ca 0.00 -0.81 0.06 0.00 -0.60 0.00 0.00 54.58 53.23 1p1v n ASN 139 Cb 0.00 -4.00 0.21 0.00 -0.53 0.00 0.00 39.78 35.45 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 -4.39 2.79 -0.15 5.20 0.00 -1.25 -4.74 120.51 117.97 1p1v n ALA 140 Ca -0.21 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1p1v n ALA 140 Cb 0.64 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.84 -1.57 3.70 0.00 0.00 -1.26 -1.07 105.19 105.84 1p1v n GLY 141 Ca 0.15 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 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 3.46 -0.51 1.61 1.04 -1.26 -4.55 113.70 109.49 1p1v s SER 142 Ca 0.00 1.94 -0.25 0.00 0.48 0.00 0.00 55.95 58.12 1p1v s SER 142 Cb 0.00 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.66 1p1v s SER 142 CO 0.00 -2.72 0.96 -0.13 0.98 0.00 0.00 173.24 172.33 1p1v s ARG 143 N -4.76 3.45 0.01 4.02 0.52 -1.26 -0.76 118.95 120.17 1p1v s ARG 143 Ca 0.64 0.01 -0.02 0.00 -0.52 0.00 0.00 55.73 55.84 1p1v s ARG 143 Cb -0.20 -3.98 -0.27 0.00 0.52 0.00 0.00 34.95 31.01 1p1v s ARG 143 CO 0.57 -1.37 0.88 -0.07 0.02 0.00 0.00 175.30 175.33 1p1v h LEU 144 N 10.87 0.37 -7.29 2.53 3.38 -1.23 -3.47 115.31 120.47 1p1v h LEU 144 Ca -0.25 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.15 1p1v h LEU 144 Cb 1.07 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.54 1p1v h LEU 144 CO 1.07 1.42 -0.04 0.00 0.09 0.00 0.00 178.44 180.98 1p1v s ALA 145 N -2.62 -1.17 0.20 1.53 0.00 -1.14 -4.13 121.76 114.42 1p1v s ALA 145 Ca -0.08 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.14 1p1v s ALA 145 Cb 0.07 0.33 0.05 0.00 0.00 0.00 0.00 23.12 23.56 1p1v s ALA 145 CO 0.85 -0.46 0.74 0.00 0.00 0.00 0.00 175.76 176.89 1p1v s GLY 147 N -2.84 -0.39 0.10 0.00 0.00 -0.87 -1.31 107.32 102.00 1p1v s GLY 147 Ca 0.08 0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.91 1p1v s GLY 147 CO -0.00 0.12 0.81 0.14 0.00 0.00 0.00 173.10 174.16 1p1v s VAL 148 N -3.55 4.56 -0.24 1.40 1.01 -1.26 -1.48 120.40 120.85 1p1v s VAL 148 Ca 0.06 1.74 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 1p1v s VAL 148 Cb -0.02 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1p1v s VAL 148 CO -0.05 0.41 0.99 -0.63 0.00 0.00 0.00 175.10 175.82 1p1v s ILE 149 N -0.39 4.71 0.25 2.22 1.01 0.19 -4.52 121.20 124.66 1p1v s ILE 149 Ca 0.39 1.91 0.10 0.00 0.00 0.00 0.00 60.65 63.05 1p1v s ILE 149 Cb -0.22 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1p1v s ILE 149 CO 0.25 -0.17 -0.07 -0.83 0.00 0.00 0.00 174.94 174.12 1p1v s GLY 150 N 1.26 1.72 0.12 6.18 0.00 0.38 -0.30 107.32 116.68 1p1v s GLY 150 Ca 0.42 -1.68 -0.31 0.00 0.00 0.00 0.00 44.72 43.15 1p1v s GLY 150 CO 0.07 -1.74 1.36 -0.42 0.00 0.00 0.00 173.10 172.37 1p1v s ILE 151 N -2.26 3.37 0.21 0.90 1.01 -1.26 -0.98 121.20 122.19 1p1v s ILE 151 Ca 0.30 0.99 0.08 0.00 0.00 0.00 0.00 60.65 62.02 1p1v s ILE 151 Cb -0.06 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1p1v s ILE 151 CO 0.18 0.08 0.01 0.00 0.00 0.00 0.00 174.94 175.21 1p1v s ALA 152 N 1.01 3.20 -2.00 9.38 0.00 -0.39 -4.82 121.76 128.13 1p1v s ALA 152 Ca 0.63 -1.47 0.15 0.00 0.00 0.00 0.00 51.96 51.27 1p1v s ALA 152 Cb -0.36 -0.92 0.91 0.00 0.00 0.00 0.00 23.12 22.75 1p1v s ALA 152 CO 0.31 0.39 1.33 0.94 0.00 0.00 0.00 175.76 178.73