#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n19 n THR 2 N 0.00 0.00 -3.72 0.00 -2.24 -1.26 -4.92 114.28 102.14 1n19 n THR 2 Ca 0.00 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1n19 n THR 2 Cb 0.00 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.10 1n19 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1n19 s LYS 3 N -0.72 0.12 0.25 -0.78 2.20 -1.26 -0.93 119.74 118.61 1n19 s LYS 3 Ca 0.01 0.50 0.03 0.00 -0.36 0.00 0.00 55.97 56.16 1n19 s LYS 3 Cb 0.01 -0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.12 1n19 s LYS 3 CO 0.04 -0.21 0.02 0.14 -0.36 0.00 0.00 175.35 174.98 1n19 s VAL 4 N 1.58 0.98 0.02 4.02 -7.23 -0.48 -0.81 120.40 118.47 1n19 s VAL 4 Ca -0.05 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 1n19 s VAL 4 Cb -0.11 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.40 1n19 s VAL 4 CO -0.07 -0.24 0.23 0.54 -0.31 0.00 0.00 175.10 175.25 1n19 s VAL 5 N -3.45 0.08 -0.05 1.32 0.11 0.25 -1.07 120.40 117.59 1n19 s VAL 5 Ca 0.31 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 1n19 s VAL 5 Cb 0.06 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1n19 s VAL 5 CO 0.10 -0.38 -0.07 0.00 -3.33 0.00 0.00 175.10 171.42 1n19 s ALA 6 N -1.95 0.87 -0.36 1.54 0.00 -0.50 -0.97 121.76 120.38 1n19 s ALA 6 Ca -0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.58 1n19 s ALA 6 Cb -0.04 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1n19 s ALA 6 CO -0.00 0.00 0.19 0.08 0.00 0.00 0.00 175.76 176.03 1n19 s VAL 7 N 0.88 4.46 -0.03 0.00 1.01 -1.26 -1.17 120.40 124.29 1n19 s VAL 7 Ca -0.11 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 1n19 s VAL 7 Cb -0.15 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1n19 s VAL 7 CO 0.01 -0.20 0.85 -0.76 0.00 0.00 0.00 175.10 174.99 1n19 s LEU 8 N 1.54 4.35 -0.02 3.92 1.43 0.72 -4.03 118.68 126.58 1n19 s LEU 8 Ca 0.02 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.42 1n19 s LEU 8 Cb -0.19 -3.34 0.02 0.00 0.03 0.00 0.00 46.19 42.71 1n19 s LEU 8 CO 0.06 -0.19 0.28 -0.54 0.23 0.00 0.00 176.35 176.20 1n19 s LYS 9 N 0.90 0.61 0.02 1.70 1.02 -0.66 -2.35 119.74 120.98 1n19 s LYS 9 Ca 0.45 -0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.29 1n19 s LYS 9 Cb -0.19 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1n19 s LYS 9 CO 0.23 -0.16 0.03 0.41 -0.92 0.00 0.00 175.35 174.95 1n19 n GLY 10 N 1.49 3.03 0.20 -3.33 0.00 -1.24 -2.19 105.19 103.15 1n19 n GLY 10 Ca -0.21 -1.38 0.06 0.00 0.00 0.00 0.00 46.02 44.50 1n19 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n19 h ASP 11 N 0.12 0.00 -0.97 1.61 3.45 -1.92 -3.46 116.42 115.26 1n19 h ASP 11 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1n19 h ASP 11 Cb 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1n19 h ASP 11 CO 0.02 0.32 0.00 0.61 -1.57 0.00 0.00 179.24 178.62 1n19 n GLY 12 N -0.27 1.89 0.01 2.75 0.00 -1.26 -5.01 105.19 103.29 1n19 n GLY 12 Ca -0.01 -1.96 0.15 0.00 0.00 0.00 0.00 46.02 44.19 1n19 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n19 n PRO 13 N 0.00 0.34 -2.35 1.61 -0.04 -1.26 -4.87 135.00 128.42 1n19 n PRO 13 Ca 0.00 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 1n19 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1n19 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n19 s VAL 14 N -2.67 3.98 0.07 0.52 1.01 -1.26 -4.05 120.40 118.00 1n19 s VAL 14 Ca 0.25 1.35 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 1n19 s VAL 14 Cb 0.20 -3.87 0.06 0.00 0.00 0.00 0.00 36.38 32.77 1n19 s VAL 14 CO 0.48 0.01 0.56 0.00 0.00 0.00 0.00 175.10 176.15 1n19 s GLN 15 N 2.13 1.11 0.00 2.72 -2.07 -0.87 -3.67 119.66 119.01 1n19 s GLN 15 Ca 0.60 -0.28 0.00 0.00 -1.82 0.00 0.00 55.36 53.86 1n19 s GLN 15 Cb -0.28 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.15 1n19 s GLN 15 CO 0.25 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1n19 n GLY 16 N 0.19 0.45 3.12 2.60 0.00 -0.99 -0.20 105.19 110.36 1n19 n GLY 16 Ca -0.18 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 1n19 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n19 s ILE 17 N -2.00 1.60 -0.10 -0.61 1.01 -1.02 -0.20 121.20 119.88 1n19 s ILE 17 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1n19 s ILE 17 Cb 0.00 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1n19 s ILE 17 CO 0.00 0.46 -0.18 -0.63 0.00 0.00 0.00 174.94 174.59 1n19 s ILE 18 N 0.50 1.61 0.03 2.92 -1.09 -0.31 -2.66 121.20 122.20 1n19 s ILE 18 Ca -0.17 -0.74 0.01 0.00 -2.23 0.00 0.00 60.65 57.52 1n19 s ILE 18 Cb -0.17 -1.44 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 1n19 s ILE 18 CO 0.06 0.46 0.09 0.20 -1.23 0.00 0.00 174.94 174.53 1n19 s ASN 19 N 0.70 5.67 -0.03 3.58 0.01 0.11 -1.41 114.94 123.57 1n19 s ASN 19 Ca -0.12 0.10 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 1n19 s ASN 19 Cb -0.16 -1.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.89 1n19 s ASN 19 CO 0.03 0.23 -0.12 -0.36 -1.51 0.00 0.00 177.10 175.37 1n19 s PHE 20 N -1.28 1.17 -0.05 2.20 0.08 -0.23 -1.50 117.98 118.36 1n19 s PHE 20 Ca 0.26 -0.29 -0.03 0.00 0.12 0.00 0.00 56.93 56.98 1n19 s PHE 20 Cb -0.12 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1n19 s PHE 20 CO 0.18 -0.10 0.13 -2.00 -0.10 0.00 0.00 175.22 173.32 1n19 s GLU 21 N 0.05 0.10 -0.29 0.44 2.12 -0.47 -1.39 118.70 119.27 1n19 s GLU 21 Ca -0.02 0.27 -0.03 0.00 0.36 0.00 0.00 54.97 55.55 1n19 s GLU 21 Cb -0.08 -0.08 0.10 0.00 0.26 0.00 0.00 34.13 34.32 1n19 s GLU 21 CO 0.01 -0.10 0.12 -1.14 -0.54 0.00 0.00 175.26 173.60 1n19 s GLN 22 N 0.70 0.29 0.28 4.30 0.74 -0.11 -0.98 119.66 124.87 1n19 s GLN 22 Ca -0.05 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 54.77 1n19 s GLN 22 Cb -0.07 -1.36 0.40 0.00 1.10 0.00 0.00 33.01 33.07 1n19 s GLN 22 CO -0.03 -0.99 1.73 0.87 -0.55 0.00 0.00 175.29 176.32 1n19 h LYS 23 N 8.35 0.54 -6.48 1.67 1.57 -1.80 -3.42 116.57 116.99 1n19 h LYS 23 Ca -0.18 -0.19 -0.68 0.00 -1.87 0.00 0.00 60.65 57.73 1n19 h LYS 23 Cb 1.02 -0.04 -0.18 0.00 0.08 0.00 0.00 32.23 33.11 1n19 h LYS 23 CO 0.44 0.72 -0.75 -1.21 -0.57 0.00 0.00 179.45 178.07 1n19 s GLU 24 N -4.58 2.23 0.33 3.15 0.41 -1.26 -5.01 118.70 113.96 1n19 s GLU 24 Ca -0.07 -0.92 0.09 0.00 -0.41 0.00 0.00 54.97 53.65 1n19 s GLU 24 Cb 0.14 -2.32 0.83 0.00 -1.78 0.00 0.00 34.13 30.99 1n19 s GLU 24 CO 0.79 0.55 1.80 1.03 -0.49 0.00 0.00 175.26 178.94 1n19 h SER 25 N 4.21 0.69 -0.24 -0.19 0.87 -1.99 -1.05 113.55 115.85 1n19 h SER 25 Ca -0.48 0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 59.97 1n19 h SER 25 Cb 1.16 -0.05 -0.15 0.00 -0.44 0.00 0.00 62.40 62.92 1n19 h SER 25 CO 0.51 0.26 -0.62 -0.46 -0.53 0.00 0.00 176.83 175.98 1n19 n ASN 26 N -4.68 2.69 -5.01 6.23 0.23 -1.26 -4.85 115.26 108.61 1n19 n ASN 26 Ca 0.22 -3.78 -0.19 0.00 -0.53 0.00 0.00 54.58 50.31 1n19 n ASN 26 Cb 0.60 -0.46 0.03 0.00 -2.08 0.00 0.00 39.78 37.86 1n19 n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1n19 s GLY 27 N -3.32 1.87 0.97 4.83 0.00 -0.40 -5.10 107.32 106.16 1n19 s GLY 27 Ca 0.42 -1.89 -0.12 0.00 0.00 0.00 0.00 44.72 43.13 1n19 s GLY 27 CO -0.04 -1.60 1.09 2.56 0.00 0.00 0.00 173.10 175.11 1n19 s PRO 28 N -4.48 0.67 -0.18 2.90 0.04 -1.26 -4.84 135.00 127.85 1n19 s PRO 28 Ca 0.57 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.35 1n19 s PRO 28 Cb -0.08 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1n19 s PRO 28 CO 0.35 -2.62 -0.16 0.08 0.04 0.00 0.00 177.00 174.69 1n19 s VAL 29 N -2.88 2.49 -0.07 -0.36 1.01 0.37 -4.49 120.40 116.47 1n19 s VAL 29 Ca 0.65 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1n19 s VAL 29 Cb -0.19 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1n19 s VAL 29 CO 0.58 0.51 0.54 -0.54 0.00 0.00 0.00 175.10 176.19 1n19 s LYS 30 N 1.18 4.33 -0.13 2.72 1.02 -0.15 -0.85 119.74 127.85 1n19 s LYS 30 Ca 0.02 0.60 0.01 0.00 0.02 0.00 0.00 55.97 56.62 1n19 s LYS 30 Cb -0.14 -3.40 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1n19 s LYS 30 CO -0.07 0.23 -0.16 0.08 -0.92 0.00 0.00 175.35 174.51 1n19 s VAL 31 N 0.35 1.60 0.03 3.17 1.01 0.20 -1.37 120.40 125.39 1n19 s VAL 31 Ca 0.29 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1n19 s VAL 31 Cb -0.16 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1n19 s VAL 31 CO 0.14 0.46 0.29 -1.66 0.00 0.00 0.00 175.10 174.33 1n19 s TRP 32 N 1.16 -0.10 -5.00 5.22 -2.14 -0.57 0.89 118.94 118.40 1n19 s TRP 32 Ca -0.02 0.02 0.00 0.00 2.66 0.00 0.00 56.10 58.76 1n19 s TRP 32 Cb -0.14 0.08 0.00 0.00 -3.10 0.00 0.00 33.47 30.31 1n19 s TRP 32 CO -0.05 -0.46 0.00 0.41 -2.66 0.00 0.00 176.95 174.19 1n19 n GLY 33 N 0.81 -0.94 3.05 3.67 0.00 -0.84 0.05 105.19 110.99 1n19 n GLY 33 Ca -0.20 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 1n19 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n19 s SER 34 N -4.00 0.41 -0.01 1.61 0.15 -1.09 -0.30 113.70 110.47 1n19 s SER 34 Ca 0.00 -0.79 0.01 0.00 0.70 0.00 0.00 55.95 55.86 1n19 s SER 34 Cb 0.00 0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 1n19 s SER 34 CO 0.00 -0.47 -0.02 -0.63 1.20 0.00 0.00 173.24 173.32 1n19 s ILE 35 N -2.89 0.21 0.43 6.45 1.01 -0.72 -2.44 121.20 123.26 1n19 s ILE 35 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.60 1n19 s ILE 35 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 1n19 s ILE 35 CO -0.06 0.09 0.04 -1.59 0.00 0.00 0.00 174.94 173.42 1n19 s LYS 36 N 0.25 1.98 0.00 2.79 -2.85 0.71 -0.90 119.74 121.73 1n19 s LYS 36 Ca -0.02 -2.20 0.00 0.00 -1.00 0.00 0.00 55.97 52.75 1n19 s LYS 36 Cb -0.05 -1.25 0.00 0.00 -2.06 0.00 0.00 37.83 34.47 1n19 s LYS 36 CO -0.01 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.58 1n19 n GLY 37 N -1.01 0.64 3.89 0.59 0.00 -0.79 -2.05 105.19 106.45 1n19 n GLY 37 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1n19 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n19 s LEU 38 N 0.00 4.01 0.38 0.99 1.43 -0.79 -4.24 118.68 120.46 1n19 s LEU 38 Ca 0.00 0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 53.76 1n19 s LEU 38 Cb 0.00 -3.72 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 1n19 s LEU 38 CO 0.00 -0.24 0.98 0.42 0.23 0.00 0.00 176.35 177.75 1n19 s THR 39 N -2.12 4.08 0.40 5.49 -4.23 -1.26 -3.73 115.64 114.26 1n19 s THR 39 Ca 0.47 1.55 -0.25 0.00 -1.18 0.00 0.00 61.69 62.29 1n19 s THR 39 Cb -0.11 -3.78 -0.11 0.00 1.34 0.00 0.00 72.50 69.84 1n19 s THR 39 CO 0.28 -0.03 0.93 1.21 -0.54 0.00 0.00 174.62 176.47 1n19 n GLU 40 N 0.01 1.20 0.00 3.99 2.13 -1.26 -4.64 120.64 122.07 1n19 n GLU 40 Ca 0.04 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1n19 n GLU 40 Cb 0.51 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.31 1n19 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n19 n GLY 41 N 1.30 -0.71 3.81 8.31 0.00 -1.09 -4.92 105.19 111.89 1n19 n GLY 41 Ca 0.10 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 1n19 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n19 s LEU 42 N 0.00 3.80 -0.10 0.99 1.43 -1.26 -1.71 118.68 121.83 1n19 s LEU 42 Ca 0.00 1.84 -0.05 0.00 -1.03 0.00 0.00 54.13 54.89 1n19 s LEU 42 Cb 0.00 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.71 1n19 s LEU 42 CO 0.00 -0.74 0.23 -1.00 0.23 0.00 0.00 176.35 175.07 1n19 s HIS 43 N -2.12 -0.30 0.61 0.29 3.76 -0.53 -3.23 115.29 113.78 1n19 s HIS 43 Ca 0.65 0.73 -0.18 0.00 -0.15 0.00 0.00 55.06 56.11 1n19 s HIS 43 Cb -0.14 0.03 -0.05 0.00 1.11 0.00 0.00 32.58 33.52 1n19 s HIS 43 CO 0.22 -0.22 0.88 0.41 -0.85 0.00 0.00 174.74 175.18 1n19 n GLY 44 N 4.14 -0.55 2.81 -2.22 0.00 -0.29 -1.65 105.19 107.43 1n19 n GLY 44 Ca -0.25 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1n19 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n19 s PHE 45 N -1.57 -0.55 0.14 1.61 5.36 0.32 -1.65 117.98 121.64 1n19 s PHE 45 Ca 0.75 0.31 -0.09 0.00 -0.96 0.00 0.00 56.93 56.94 1n19 s PHE 45 Cb -0.41 -0.26 -0.00 0.00 -0.34 0.00 0.00 43.02 42.01 1n19 s PHE 45 CO 0.48 -0.75 0.27 -1.01 -1.46 0.00 0.00 175.22 172.75 1n19 s HIS 46 N 2.42 0.27 -0.20 10.12 3.76 -0.95 -2.04 115.29 128.67 1n19 s HIS 46 Ca 0.10 -0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 54.18 1n19 s HIS 46 Cb -0.15 -0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.48 1n19 s HIS 46 CO -0.20 -0.67 0.45 0.08 -0.85 0.00 0.00 174.74 173.55 1n19 s VAL 47 N -3.92 5.15 0.22 -0.90 1.01 0.04 -0.88 120.40 121.12 1n19 s VAL 47 Ca 0.12 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.93 1n19 s VAL 47 Cb 0.04 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1n19 s VAL 47 CO -0.04 0.21 0.39 -1.00 0.00 0.00 0.00 175.10 174.66 1n19 s HIS 48 N 1.49 3.48 0.15 5.22 3.76 0.22 -0.53 115.29 129.09 1n19 s HIS 48 Ca 0.21 0.24 -0.23 0.00 -0.15 0.00 0.00 55.06 55.13 1n19 s HIS 48 Cb -0.15 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.78 1n19 s HIS 48 CO 0.09 0.38 1.63 1.49 -0.85 0.00 0.00 174.74 177.47 1n19 h GLU 49 N 1.71 -0.27 -5.53 1.40 4.81 -0.66 -2.93 114.58 113.12 1n19 h GLU 49 Ca -0.49 0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.13 1n19 h GLU 49 Cb 1.20 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.55 1n19 h GLU 49 CO 0.66 -0.18 -0.44 -0.06 -0.73 0.00 0.00 179.01 178.26 1n19 s PHE 50 N -6.06 3.53 -0.72 0.92 0.08 0.08 -4.63 117.98 111.17 1n19 s PHE 50 Ca -0.15 0.51 -0.04 0.00 0.12 0.00 0.00 56.93 57.38 1n19 s PHE 50 Cb 0.12 -2.10 0.12 0.00 -0.57 0.00 0.00 43.02 40.59 1n19 s PHE 50 CO 0.67 0.51 2.55 0.41 -0.10 0.00 0.00 175.22 179.26 1n19 n GLY 51 N 2.68 4.78 3.19 4.36 0.00 -1.15 -3.71 105.19 115.34 1n19 n GLY 51 Ca -0.17 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 1n19 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n19 s ASP 52 N 0.08 4.79 -0.26 1.61 3.68 -1.26 -4.93 116.67 120.39 1n19 s ASP 52 Ca 0.56 -1.16 0.12 0.00 2.13 0.00 0.00 52.55 54.21 1n19 s ASP 52 Cb 0.34 -1.72 0.62 0.00 -1.45 0.00 0.00 42.92 40.71 1n19 s ASP 52 CO -0.22 -0.23 1.59 -3.20 0.13 0.00 0.00 175.17 173.24 1n19 n ASN 53 N 4.65 4.03 0.27 -0.34 4.05 -1.26 -3.31 115.26 123.35 1n19 n ASN 53 Ca -0.14 -3.25 0.11 0.00 0.45 0.00 0.00 54.58 51.75 1n19 n ASN 53 Cb 0.44 -0.64 0.76 0.00 1.23 0.00 0.00 39.78 41.57 1n19 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1n19 h THR 54 N 2.04 0.78 -2.12 -0.44 1.35 -1.93 -3.24 112.91 109.34 1n19 h THR 54 Ca 0.15 -0.08 -0.57 0.00 -0.55 0.00 0.00 66.41 65.35 1n19 h THR 54 Cb 1.85 1.05 -0.40 0.00 -1.73 0.00 0.00 68.15 68.92 1n19 h THR 54 CO 0.46 0.02 -0.95 0.00 -0.25 0.00 0.00 175.52 174.81 1n19 n ALA 55 N -2.43 2.93 -0.70 6.62 0.00 -1.26 -5.07 120.51 120.60 1n19 n ALA 55 Ca -0.03 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.64 1n19 n ALA 55 Cb 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1n19 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n19 n GLY 56 N 1.39 1.28 0.09 0.00 0.00 -1.23 -2.79 105.19 103.95 1n19 n GLY 56 Ca 0.24 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1n19 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n19 h THR 58 N 0.00 1.19 0.00 0.00 1.03 -1.87 -2.29 112.91 110.97 1n19 h THR 58 Ca 0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 1n19 h THR 58 Cb 0.76 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 1n19 h THR 58 CO 0.00 0.26 0.00 -1.54 -0.01 0.00 0.00 175.52 174.23 1n19 n SER 59 N -4.23 0.00 0.00 0.00 3.41 -1.17 -2.89 113.62 108.74 1n19 n SER 59 Ca -0.02 -0.72 0.11 0.00 -0.26 0.00 0.00 58.87 57.98 1n19 n SER 59 Cb 0.31 -0.01 0.48 0.00 -0.26 0.00 0.00 64.21 64.73 1n19 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n19 n ALA 60 N -1.01 2.03 -0.39 7.33 0.00 -0.86 -4.39 120.51 123.21 1n19 n ALA 60 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1n19 n ALA 60 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1n19 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n19 n GLY 61 N 0.73 -0.90 3.80 0.00 0.00 -1.14 -0.75 105.19 106.93 1n19 n GLY 61 Ca 0.06 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 1n19 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n19 s PRO 62 N 0.00 -0.20 0.43 1.61 0.04 -1.26 -4.64 135.00 130.97 1n19 s PRO 62 Ca 0.00 -0.33 -0.26 0.00 0.04 0.00 0.00 61.00 60.45 1n19 s PRO 62 Cb 0.00 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1n19 s PRO 62 CO 0.00 -2.99 1.45 -1.01 0.04 0.00 0.00 177.00 174.49 1n19 s HIS 63 N -3.58 2.49 -0.06 0.56 3.76 -1.26 -0.31 115.29 116.90 1n19 s HIS 63 Ca 0.74 1.23 -0.30 0.00 -0.15 0.00 0.00 55.06 56.58 1n19 s HIS 63 Cb -0.05 -3.95 -0.08 0.00 1.11 0.00 0.00 32.58 29.60 1n19 s HIS 63 CO 0.54 -2.96 2.05 0.34 -0.85 0.00 0.00 174.74 173.86 1n19 n PHE 64 N 0.00 2.32 -3.06 1.40 -0.00 0.31 -4.30 117.46 114.13 1n19 n PHE 64 Ca 0.04 -0.26 -0.19 0.00 -0.00 0.00 0.00 57.45 57.04 1n19 n PHE 64 Cb 0.41 -2.76 -0.03 0.00 -0.00 0.00 0.00 39.48 37.10 1n19 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1n19 n ASN 65 N 8.70 -0.58 0.27 -2.13 5.15 -1.26 -1.72 115.26 123.70 1n19 n ASN 65 Ca 0.24 -2.94 0.14 0.00 -0.60 0.00 0.00 54.58 51.42 1n19 n ASN 65 Cb 0.40 0.08 0.77 0.00 -0.53 0.00 0.00 39.78 40.50 1n19 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1n19 h PRO 66 N 3.78 0.00 -0.10 1.20 0.13 -1.90 -2.53 132.00 132.57 1n19 h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1n19 h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1n19 h PRO 66 CO 0.42 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 179.56 1n19 n LEU 67 N -3.49 2.02 -3.64 1.56 4.77 -1.26 -4.97 117.00 111.99 1n19 n LEU 67 Ca -0.02 -0.75 -0.27 0.00 -0.03 0.00 0.00 56.01 54.95 1n19 n LEU 67 Cb 0.24 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1n19 n LEU 67 CO 0.29 0.37 -0.07 -1.20 -1.33 0.00 0.00 177.39 175.45 1n19 n SER 68 N 0.56 -4.48 -4.94 -1.43 7.64 -0.95 -5.01 113.62 105.00 1n19 n SER 68 Ca 0.17 -0.94 -0.25 0.00 1.01 0.00 0.00 58.87 58.86 1n19 n SER 68 Cb 0.42 -3.75 0.01 0.00 -1.01 0.00 0.00 64.21 59.88 1n19 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1n19 s ARG 69 N -5.77 2.23 0.33 1.43 1.81 -1.26 -5.13 118.95 112.59 1n19 s ARG 69 Ca 0.36 -2.00 0.00 0.00 -1.72 0.00 0.00 55.73 52.37 1n19 s ARG 69 Cb -0.11 -2.19 -0.03 0.00 -0.45 0.00 0.00 34.95 32.16 1n19 s ARG 69 CO 0.84 -0.74 0.53 0.15 -0.68 0.00 0.00 175.30 175.40 1n19 s LYS 70 N -4.40 3.50 0.65 3.54 -0.14 -1.26 -4.77 119.74 116.86 1n19 s LYS 70 Ca 0.38 -0.32 -0.17 0.00 -1.36 0.00 0.00 55.97 54.50 1n19 s LYS 70 Cb -0.03 -2.68 -0.01 0.00 -1.68 0.00 0.00 37.83 33.44 1n19 s LYS 70 CO 0.24 0.18 1.22 -1.58 -0.76 0.00 0.00 175.35 174.65 1n19 s HIS 71 N -2.26 2.22 0.21 3.18 5.65 0.18 -2.80 115.29 121.68 1n19 s HIS 71 Ca 0.40 1.53 -0.21 0.00 0.25 0.00 0.00 55.06 57.03 1n19 s HIS 71 Cb -0.10 -3.52 0.07 0.00 -1.18 0.00 0.00 32.58 27.86 1n19 s HIS 71 CO 0.35 -2.48 1.01 0.20 -0.65 0.00 0.00 174.74 173.17 1n19 s GLY 72 N -1.72 0.15 0.60 1.59 0.00 -1.26 -4.57 107.32 102.11 1n19 s GLY 72 Ca 0.77 -0.39 -0.10 0.00 0.00 0.00 0.00 44.72 45.00 1n19 s GLY 72 CO 0.39 2.17 0.98 -0.32 0.00 0.00 0.00 173.10 176.32 1n19 s GLY 73 N -3.38 1.62 0.62 0.20 0.00 -1.08 -4.76 107.32 100.55 1n19 s GLY 73 Ca 0.21 -0.23 0.32 0.00 0.00 0.00 0.00 44.72 45.02 1n19 s GLY 73 CO 0.06 0.03 2.12 -0.56 0.00 0.00 0.00 173.10 174.75 1n19 h PRO 74 N -0.25 0.00 -0.27 2.90 0.13 -1.89 -1.57 132.00 131.05 1n19 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1n19 h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n19 h PRO 74 CO 0.62 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 1n19 n LYS 75 N -3.49 2.26 -3.26 0.86 5.02 -1.26 -4.92 118.16 113.37 1n19 n LYS 75 Ca -0.00 -1.90 -0.39 0.00 -2.02 0.00 0.00 58.31 54.01 1n19 n LYS 75 Cb 0.28 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 1n19 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n19 s ASP 76 N -1.59 6.93 0.21 4.39 -0.00 -0.59 -4.97 116.67 121.04 1n19 s ASP 76 Ca 0.36 1.11 -0.09 0.00 -0.00 0.00 0.00 52.55 53.92 1n19 s ASP 76 Cb 0.21 -2.34 0.26 0.00 -0.00 0.00 0.00 42.92 41.05 1n19 s ASP 76 CO 0.30 0.14 1.78 -0.08 -0.00 0.00 0.00 175.17 177.30 1n19 h GLU 77 N 5.53 0.53 -5.73 8.23 4.81 -1.91 -3.37 114.58 122.66 1n19 h GLU 77 Ca -0.46 -0.03 -0.59 0.00 -0.13 0.00 0.00 59.36 58.15 1n19 h GLU 77 Cb 1.20 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.38 1n19 h GLU 77 CO 0.69 0.35 0.16 -2.00 -0.73 0.00 0.00 179.01 177.48 1n19 s GLU 78 N -6.09 4.24 -0.20 1.92 2.56 -1.26 -5.01 118.70 114.86 1n19 s GLU 78 Ca -0.13 0.70 -0.36 0.00 0.00 0.00 0.00 54.97 55.19 1n19 s GLU 78 Cb 0.16 -3.57 0.15 0.00 2.00 0.00 0.00 34.13 32.87 1n19 s GLU 78 CO 0.75 -0.23 1.34 -0.98 -0.56 0.00 0.00 175.26 175.58 1n19 s ARG 79 N 1.87 0.13 0.47 4.30 1.04 -1.12 -4.21 118.95 121.43 1n19 s ARG 79 Ca 0.31 -0.06 -0.19 0.00 -1.04 0.00 0.00 55.73 54.75 1n19 s ARG 79 Cb -0.16 0.05 -0.09 0.00 -2.04 0.00 0.00 34.95 32.71 1n19 s ARG 79 CO 0.11 -0.06 0.97 -1.01 -0.04 0.00 0.00 175.30 175.27 1n19 s HIS 80 N -2.16 3.36 0.35 5.89 3.76 -1.20 -4.64 115.29 120.65 1n19 s HIS 80 Ca 0.12 1.54 0.05 0.00 -0.15 0.00 0.00 55.06 56.62 1n19 s HIS 80 Cb 0.01 -2.83 0.70 0.00 1.11 0.00 0.00 32.58 31.57 1n19 s HIS 80 CO -0.04 -0.26 1.94 0.28 -0.85 0.00 0.00 174.74 175.81 1n19 h VAL 81 N 1.43 1.01 -0.11 -0.90 2.07 -1.85 -2.46 116.25 115.44 1n19 h VAL 81 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1n19 h VAL 81 Cb 1.18 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1n19 h VAL 81 CO 0.61 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1n19 n GLY 82 N -1.43 -0.40 3.56 2.17 0.00 -0.70 -4.18 105.19 104.20 1n19 n GLY 82 Ca 0.12 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1n19 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n19 s ASP 83 N -1.28 6.30 -0.24 1.61 1.01 -0.93 -0.78 116.67 122.35 1n19 s ASP 83 Ca 0.19 -0.19 0.13 0.00 0.71 0.00 0.00 52.55 53.40 1n19 s ASP 83 Cb 0.10 -2.56 0.62 0.00 1.01 0.00 0.00 42.92 42.09 1n19 s ASP 83 CO 0.15 -1.67 1.57 0.18 0.21 0.00 0.00 175.17 175.61 1n19 n LEU 84 N 8.92 4.73 0.00 1.23 4.77 -0.86 -3.72 117.00 132.07 1n19 n LEU 84 Ca 0.06 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.84 1n19 n LEU 84 Cb 0.49 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1n19 n LEU 84 CO 0.71 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 1n19 n GLY 85 N -0.41 2.38 3.31 -0.72 0.00 -1.20 -4.75 105.19 103.79 1n19 n GLY 85 Ca 0.30 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1n19 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n19 s ASN 86 N -4.00 2.58 0.18 1.61 0.01 -1.26 -0.52 114.94 113.54 1n19 s ASN 86 Ca 0.00 -0.80 0.10 0.00 -0.71 0.00 0.00 52.86 51.45 1n19 s ASN 86 Cb 0.00 -0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.47 1n19 s ASN 86 CO 0.00 -0.01 -0.15 0.68 -1.51 0.00 0.00 177.10 176.11 1n19 s VAL 87 N -1.75 2.89 -0.12 1.60 -7.23 -0.66 -4.91 120.40 110.21 1n19 s VAL 87 Ca 0.12 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1n19 s VAL 87 Cb -0.07 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1n19 s VAL 87 CO 0.06 -0.09 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.64 1n19 s THR 88 N -1.65 2.00 0.21 5.32 2.01 -1.26 -1.45 115.64 120.83 1n19 s THR 88 Ca 0.23 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 61.20 1n19 s THR 88 Cb -0.09 -1.76 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 1n19 s THR 88 CO 0.13 0.54 0.48 0.00 -0.69 0.00 0.00 174.62 175.08 1n19 s ALA 89 N 0.60 3.67 0.49 7.40 0.00 -0.70 -3.96 121.76 129.26 1n19 s ALA 89 Ca -0.13 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 51.46 1n19 s ALA 89 Cb -0.17 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.72 1n19 s ALA 89 CO 0.03 0.51 0.67 0.16 0.00 0.00 0.00 175.76 177.14 1n19 s ASP 90 N -2.58 5.40 0.47 0.00 1.47 0.11 -2.68 116.67 118.86 1n19 s ASP 90 Ca 0.44 -0.59 0.38 0.00 1.18 0.00 0.00 52.55 53.96 1n19 s ASP 90 Cb -0.11 -0.26 1.57 0.00 -0.34 0.00 0.00 42.92 43.78 1n19 s ASP 90 CO 0.24 -1.03 1.57 0.29 0.68 0.00 0.00 175.17 176.93 1n19 n LYS 91 N -2.04 -0.03 -0.02 2.11 5.02 -1.26 0.66 118.16 122.60 1n19 n LYS 91 Ca 0.11 1.22 0.12 0.00 -2.02 0.00 0.00 58.31 57.74 1n19 n LYS 91 Cb 0.60 -2.50 0.58 0.00 -0.02 0.00 0.00 35.03 33.69 1n19 n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1n19 n ASP 92 N -4.52 0.77 0.00 4.39 9.92 -1.26 -4.76 116.55 121.09 1n19 n ASP 92 Ca 0.42 -1.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 1n19 n ASP 92 Cb 1.70 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 42.15 1n19 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n19 n GLY 93 N 1.01 0.62 3.46 0.44 0.00 0.21 -4.69 105.19 106.24 1n19 n GLY 93 Ca 0.18 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1n19 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n19 s VAL 94 N -2.00 3.32 -0.15 1.61 1.01 -1.24 -1.88 120.40 121.07 1n19 s VAL 94 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1n19 s VAL 94 Cb 0.00 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1n19 s VAL 94 CO 0.00 0.55 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 1n19 s ALA 95 N -0.19 1.99 -0.29 5.51 0.00 -0.08 0.07 121.76 128.77 1n19 s ALA 95 Ca 0.01 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 1n19 s ALA 95 Cb -0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1n19 s ALA 95 CO 0.03 -0.29 0.40 -0.51 0.00 0.00 0.00 175.76 175.38 1n19 s ASP 96 N 1.30 6.26 -0.10 0.00 1.11 -1.25 -1.75 116.67 122.24 1n19 s ASP 96 Ca 0.02 0.19 -0.14 0.00 0.18 0.00 0.00 52.55 52.80 1n19 s ASP 96 Cb -0.13 -2.22 -0.05 0.00 1.07 0.00 0.00 42.92 41.59 1n19 s ASP 96 CO -0.09 -0.25 0.35 -0.69 1.18 0.00 0.00 175.17 175.67 1n19 s VAL 97 N 2.12 5.21 -0.42 -1.27 1.01 0.59 -4.82 120.40 122.82 1n19 s VAL 97 Ca 0.15 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.89 1n19 s VAL 97 Cb -0.16 -3.67 0.17 0.00 0.00 0.00 0.00 36.38 32.72 1n19 s VAL 97 CO 0.11 0.46 0.55 -0.55 0.00 0.00 0.00 175.10 175.66 1n19 s SER 98 N -0.11 -0.52 0.22 3.32 0.15 -1.24 -1.98 113.70 113.55 1n19 s SER 98 Ca 0.21 -1.32 0.11 0.00 0.70 0.00 0.00 55.95 55.65 1n19 s SER 98 Cb -0.14 1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 65.51 1n19 s SER 98 CO 0.08 -0.18 -0.21 -0.63 1.20 0.00 0.00 173.24 173.51 1n19 s ILE 99 N 1.46 2.51 -0.06 6.45 1.01 0.26 -4.98 121.20 127.84 1n19 s ILE 99 Ca 0.19 -2.13 -0.01 0.00 0.00 0.00 0.00 60.65 58.71 1n19 s ILE 99 Cb -0.07 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.18 1n19 s ILE 99 CO -0.06 -0.22 0.00 -0.70 0.00 0.00 0.00 174.94 173.96 1n19 s GLU 100 N -3.01 0.54 0.02 2.79 2.12 -1.26 0.59 118.70 120.49 1n19 s GLU 100 Ca 0.25 0.12 0.05 0.00 0.36 0.00 0.00 54.97 55.74 1n19 s GLU 100 Cb -0.07 -0.89 -0.02 0.00 0.26 0.00 0.00 34.13 33.41 1n19 s GLU 100 CO 0.12 -0.28 -0.15 0.34 -0.54 0.00 0.00 175.26 174.75 1n19 s ASP 101 N 1.86 1.79 0.00 -1.70 -1.08 -0.03 -4.94 116.67 112.57 1n19 s ASP 101 Ca 0.03 -0.37 0.18 0.00 -0.52 0.00 0.00 52.55 51.87 1n19 s ASP 101 Cb -0.12 -0.16 0.09 0.00 -1.46 0.00 0.00 42.92 41.27 1n19 s ASP 101 CO -0.04 0.12 1.01 -1.54 0.52 0.00 0.00 175.17 175.24 1n19 n SER 102 N 2.29 2.23 -0.09 -0.34 3.41 -1.26 -0.48 113.62 119.37 1n19 n SER 102 Ca -0.16 -1.61 -0.23 0.00 -0.26 0.00 0.00 58.87 56.60 1n19 n SER 102 Cb 0.55 0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.54 1n19 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1n19 n VAL 103 N 0.64 1.59 -1.25 -3.33 0.31 -1.26 -4.91 118.33 110.11 1n19 n VAL 103 Ca 0.09 -0.37 -0.31 0.00 -0.01 0.00 0.00 64.34 63.75 1n19 n VAL 103 Cb 0.42 -1.82 0.10 0.00 -0.91 0.00 0.00 33.84 31.63 1n19 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1n19 s ILE 104 N -2.48 3.18 0.26 2.52 -4.36 -1.26 -4.86 121.20 114.21 1n19 s ILE 104 Ca -0.31 0.38 -0.17 0.00 -0.26 0.00 0.00 60.65 60.29 1n19 s ILE 104 Cb 0.09 -2.87 0.01 0.00 1.25 0.00 0.00 42.46 40.94 1n19 s ILE 104 CO 0.61 -0.50 0.61 -0.55 0.24 0.00 0.00 174.94 175.35 1n19 s SER 105 N -3.41 -0.19 -0.09 4.36 0.15 -0.88 -4.69 113.70 108.95 1n19 s SER 105 Ca 0.62 -0.75 0.15 0.00 0.70 0.00 0.00 55.95 56.67 1n19 s SER 105 Cb -0.17 0.66 0.50 0.00 -1.71 0.00 0.00 66.02 65.30 1n19 s SER 105 CO 0.56 -1.25 1.42 0.18 1.20 0.00 0.00 173.24 175.35 1n19 n LEU 106 N -0.42 3.76 -3.62 3.45 4.77 -1.26 -1.36 117.00 122.32 1n19 n LEU 106 Ca -0.03 -2.43 -0.11 0.00 -0.03 0.00 0.00 56.01 53.41 1n19 n LEU 106 Cb 0.60 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1n19 n LEU 106 CO 0.18 0.74 0.25 -0.94 -1.33 0.00 0.00 177.39 176.30 1n19 s SER 107 N -1.25 -0.32 0.28 -1.43 1.04 -1.26 -4.67 113.70 106.09 1n19 s SER 107 Ca 0.37 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1n19 s SER 107 Cb 0.25 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1n19 s SER 107 CO 0.17 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1n19 n GLY 108 N -0.30 -0.88 0.34 7.32 0.00 -1.26 -3.25 105.19 107.16 1n19 n GLY 108 Ca -0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 1n19 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n19 h ASP 109 N 0.00 0.87 -0.21 1.61 3.45 -2.01 -2.25 116.42 117.88 1n19 h ASP 109 Ca 0.00 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.40 1n19 h ASP 109 Cb 0.00 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 1n19 h ASP 109 CO 0.00 0.69 0.00 1.41 -1.57 0.00 0.00 179.24 179.77 1n19 n HIS 110 N -4.37 0.32 -1.89 4.55 8.25 -1.26 -4.91 115.22 115.91 1n19 n HIS 110 Ca 0.07 -0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 1n19 n HIS 110 Cb 0.09 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 1n19 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n19 s SER 111 N -0.94 6.55 0.00 0.41 0.15 -0.85 -2.08 113.70 116.94 1n19 s SER 111 Ca 0.15 2.63 0.23 0.00 0.70 0.00 0.00 55.95 59.66 1n19 s SER 111 Cb 0.08 -2.59 0.47 0.00 -1.71 0.00 0.00 66.02 62.27 1n19 s SER 111 CO 0.09 -0.87 1.43 2.30 1.20 0.00 0.00 173.24 177.40 1n19 n ILE 112 N 4.15 0.60 -2.06 6.45 -5.35 -0.46 -4.93 119.36 117.75 1n19 n ILE 112 Ca 0.15 -0.80 -0.42 0.00 -0.27 0.00 0.00 62.75 61.41 1n19 n ILE 112 Cb 0.38 0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 39.16 1n19 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1n19 s ILE 113 N -1.40 2.91 0.00 7.28 1.01 -1.26 -2.06 121.20 127.68 1n19 s ILE 113 Ca 0.41 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1n19 s ILE 113 Cb 0.24 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1n19 s ILE 113 CO 0.32 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1n19 n GLY 114 N 3.05 0.53 1.82 6.18 0.00 0.04 -5.01 105.19 111.79 1n19 n GLY 114 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1n19 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n19 n ARG 115 N -2.94 1.08 -4.98 1.61 1.74 -0.87 -2.91 116.66 109.40 1n19 n ARG 115 Ca 0.00 -1.63 -0.32 0.00 -0.77 0.00 0.00 57.85 55.12 1n19 n ARG 115 Cb 0.00 0.16 -0.14 0.00 -1.02 0.00 0.00 32.46 31.45 1n19 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1n19 s THR 116 N -1.26 2.78 -0.17 0.55 2.01 -1.11 -0.08 115.64 118.37 1n19 s THR 116 Ca 0.16 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.22 1n19 s THR 116 Cb -0.01 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1n19 s THR 116 CO 0.10 0.57 0.25 -0.22 -0.69 0.00 0.00 174.62 174.63 1n19 s LEU 117 N -0.38 4.25 -0.00 4.42 2.96 -0.34 0.73 118.68 130.32 1n19 s LEU 117 Ca 0.04 0.44 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 1n19 s LEU 117 Cb -0.12 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 1n19 s LEU 117 CO 0.02 0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.34 1n19 s VAL 118 N 0.34 1.23 -0.12 1.68 1.01 -0.06 -1.74 120.40 122.73 1n19 s VAL 118 Ca 0.14 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1n19 s VAL 118 Cb -0.12 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1n19 s VAL 118 CO 0.03 0.28 -0.22 0.54 0.00 0.00 0.00 175.10 175.73 1n19 s VAL 119 N -0.46 2.03 0.37 2.92 0.11 -0.55 -2.25 120.40 122.56 1n19 s VAL 119 Ca 0.05 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1n19 s VAL 119 Cb -0.06 -1.78 -0.02 0.00 -1.53 0.00 0.00 36.38 32.98 1n19 s VAL 119 CO -0.00 0.55 0.57 -1.00 -3.33 0.00 0.00 175.10 171.88 1n19 s HIS 120 N 0.64 3.40 0.15 1.54 3.76 -0.66 -1.24 115.29 122.87 1n19 s HIS 120 Ca -0.12 0.26 -0.12 0.00 -0.15 0.00 0.00 55.06 54.93 1n19 s HIS 120 Cb -0.16 -2.00 0.02 0.00 1.11 0.00 0.00 32.58 31.54 1n19 s HIS 120 CO 0.02 -0.00 1.60 1.49 -0.85 0.00 0.00 174.74 177.00 1n19 h GLU 121 N 0.68 0.85 -5.78 1.40 4.81 -0.83 -3.36 114.58 112.35 1n19 h GLU 121 Ca -0.49 -0.27 -0.59 0.00 -0.13 0.00 0.00 59.36 57.89 1n19 h GLU 121 Cb 1.23 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 1n19 h GLU 121 CO 0.60 0.89 -0.46 0.15 -0.73 0.00 0.00 179.01 179.46 1n19 s LYS 122 N -5.04 2.22 0.52 1.92 1.02 -0.05 -4.85 119.74 115.48 1n19 s LYS 122 Ca -0.12 -1.98 -0.19 0.00 0.02 0.00 0.00 55.97 53.69 1n19 s LYS 122 Cb 0.11 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.43 1n19 s LYS 122 CO 0.82 -0.27 1.08 0.00 -0.92 0.00 0.00 175.35 176.05 1n19 s ALA 123 N -2.69 2.78 -0.21 5.17 0.00 -1.20 -1.14 121.76 124.47 1n19 s ALA 123 Ca 0.33 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 1n19 s ALA 123 Cb 0.02 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1n19 s ALA 123 CO 0.19 -0.55 0.56 0.34 0.00 0.00 0.00 175.76 176.29 1n19 s ASP 124 N -1.99 6.58 -0.01 0.00 3.68 -1.26 -3.75 116.67 119.91 1n19 s ASP 124 Ca 0.69 0.70 0.01 0.00 2.13 0.00 0.00 52.55 56.08 1n19 s ASP 124 Cb -0.19 -2.31 0.06 0.00 -1.45 0.00 0.00 42.92 39.03 1n19 s ASP 124 CO 0.25 -0.24 0.77 -0.90 0.13 0.00 0.00 175.17 175.18 1n19 n ASP 125 N 5.05 0.98 -0.45 -0.34 3.85 -0.36 -4.87 116.55 120.42 1n19 n ASP 125 Ca -0.03 -2.05 -0.05 0.00 -0.71 0.00 0.00 54.79 51.95 1n19 n ASP 125 Cb 0.50 -0.33 -0.02 0.00 -1.35 0.00 0.00 41.12 39.91 1n19 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1n19 n LEU 126 N -0.09 0.19 0.00 -2.12 4.32 -1.26 -2.21 117.00 115.83 1n19 n LEU 126 Ca 0.02 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1n19 n LEU 126 Cb 0.22 -2.22 0.00 0.00 -1.62 0.00 0.00 43.42 39.80 1n19 n LEU 126 CO 0.02 -0.84 0.00 0.61 -1.22 0.00 0.00 177.39 175.96 1n19 n GLY 127 N 0.47 0.42 0.99 -0.72 0.00 -1.24 -2.63 105.19 102.48 1n19 n GLY 127 Ca -0.05 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 45.10 1n19 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n19 n LYS 128 N -2.95 2.42 -2.25 1.61 4.01 -0.94 -4.65 118.16 115.42 1n19 n LYS 128 Ca 0.00 -2.19 -0.34 0.00 -0.51 0.00 0.00 58.31 55.27 1n19 n LYS 128 Cb 0.00 -1.43 -0.00 0.00 -0.51 0.00 0.00 35.03 33.09 1n19 n LYS 128 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1n19 s GLY 129 N -1.19 2.48 -0.84 0.72 0.00 -1.26 -4.91 107.32 102.32 1n19 s GLY 129 Ca 0.34 0.68 -0.07 0.00 0.00 0.00 0.00 44.72 45.67 1n19 s GLY 129 CO 0.26 1.02 3.10 0.61 0.00 0.00 0.00 173.10 178.09 1n19 n GLY 130 N -0.17 3.96 3.50 0.20 0.00 -1.26 -4.78 105.19 106.63 1n19 n GLY 130 Ca 0.10 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1n19 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n19 s ASN 131 N 1.60 -0.51 0.27 1.61 2.20 -1.26 -5.05 114.94 113.80 1n19 s ASN 131 Ca 0.65 0.31 -0.01 0.00 -0.94 0.00 0.00 52.86 52.87 1n19 s ASN 131 Cb 0.26 0.47 0.37 0.00 -2.00 0.00 0.00 41.25 40.35 1n19 s ASN 131 CO -0.07 -0.65 1.79 -0.08 -2.94 0.00 0.00 177.10 175.15 1n19 h GLU 132 N 2.43 0.79 -0.82 3.55 4.81 -2.01 -2.82 114.58 120.52 1n19 h GLU 132 Ca -0.26 -0.19 0.13 0.00 -0.13 0.00 0.00 59.36 58.90 1n19 h GLU 132 Cb 1.21 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 1n19 h GLU 132 CO 0.35 0.77 0.54 1.49 -0.73 0.00 0.00 179.01 181.43 1n19 h GLU 133 N 0.75 0.62 -0.06 1.92 4.57 -1.96 0.62 114.58 121.04 1n19 h GLU 133 Ca 0.15 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1n19 h GLU 133 Cb 0.39 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1n19 h GLU 133 CO 0.01 0.41 0.03 1.03 -1.18 0.00 0.00 179.01 179.31 1n19 h SER 134 N 0.64 0.07 -0.03 1.04 0.87 -1.81 0.38 113.55 114.71 1n19 h SER 134 Ca 0.40 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1n19 h SER 134 Cb 0.65 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1n19 h SER 134 CO -0.16 0.06 0.00 0.35 -0.53 0.00 0.00 176.83 176.55 1n19 n THR 135 N -4.52 0.03 -0.03 2.23 -2.24 0.20 -2.39 114.28 107.56 1n19 n THR 135 Ca -0.02 -0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 1n19 n THR 135 Cb 0.10 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1n19 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n19 n LYS 136 N -0.32 0.13 0.00 -0.78 5.02 -0.26 -0.64 118.16 121.31 1n19 n LYS 136 Ca 0.20 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1n19 n LYS 136 Cb 0.23 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 1n19 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n19 n THR 137 N -3.17 0.00 -1.00 -0.18 -2.24 -0.04 -4.70 114.28 102.95 1n19 n THR 137 Ca -0.12 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1n19 n THR 137 Cb 0.59 0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1n19 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n19 n GLY 138 N 1.36 0.47 3.19 3.38 0.00 -1.01 -3.80 105.19 108.79 1n19 n GLY 138 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1n19 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n19 n ASN 139 N 0.06 -4.81 0.00 1.61 3.02 -1.26 -1.23 115.26 112.65 1n19 n ASN 139 Ca -0.00 -0.33 0.14 0.00 -0.03 0.00 0.00 54.58 54.36 1n19 n ASN 139 Cb 0.03 -3.93 0.68 0.00 -0.61 0.00 0.00 39.78 35.95 1n19 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n19 n ALA 140 N -3.52 2.37 0.00 5.41 0.00 -1.25 -4.73 120.51 118.80 1n19 n ALA 140 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1n19 n ALA 140 Cb 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1n19 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n19 n GLY 141 N 1.21 -1.16 3.76 0.00 0.00 -1.26 -0.87 105.19 106.87 1n19 n GLY 141 Ca 0.11 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 1n19 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n19 s SER 142 N -4.00 4.55 -0.37 1.61 1.04 -1.26 -4.70 113.70 110.57 1n19 s SER 142 Ca 0.00 1.87 -0.19 0.00 0.48 0.00 0.00 55.95 58.11 1n19 s SER 142 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1n19 s SER 142 CO 0.00 -2.01 0.58 -0.13 0.98 0.00 0.00 173.24 172.66 1n19 s ARG 143 N -4.74 3.59 -0.05 4.02 0.52 -1.26 -0.45 118.95 120.58 1n19 s ARG 143 Ca 0.62 -0.12 -0.18 0.00 -0.52 0.00 0.00 55.73 55.54 1n19 s ARG 143 Cb -0.18 -3.83 -0.31 0.00 0.52 0.00 0.00 34.95 31.15 1n19 s ARG 143 CO 0.53 -0.73 0.80 -0.07 0.02 0.00 0.00 175.30 175.85 1n19 h LEU 144 N 9.29 0.54 -7.79 2.53 3.38 -1.48 -3.47 115.31 118.32 1n19 h LEU 144 Ca -0.27 -0.92 -0.12 0.00 0.09 0.00 0.00 57.88 56.67 1n19 h LEU 144 Cb 1.11 -0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.51 1n19 h LEU 144 CO 0.81 1.56 -0.43 0.00 0.09 0.00 0.00 178.44 180.48 1n19 s ALA 145 N -2.49 -0.27 0.22 1.53 0.00 -1.16 -3.97 121.76 115.60 1n19 s ALA 145 Ca -0.15 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 1n19 s ALA 145 Cb 0.03 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.47 1n19 s ALA 145 CO 0.84 -0.35 0.65 0.00 0.00 0.00 0.00 175.76 176.91 1n19 s GLY 147 N -2.83 -0.49 0.17 0.00 0.00 -0.71 -1.65 107.32 101.81 1n19 s GLY 147 Ca 0.06 1.78 -0.30 0.00 0.00 0.00 0.00 44.72 46.26 1n19 s GLY 147 CO -0.03 1.32 1.10 0.14 0.00 0.00 0.00 173.10 175.62 1n19 s VAL 148 N -0.51 3.91 -0.58 1.40 1.01 -1.26 -1.20 120.40 123.17 1n19 s VAL 148 Ca -0.05 1.63 -0.28 0.00 0.00 0.00 0.00 61.98 63.29 1n19 s VAL 148 Cb -0.02 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.34 1n19 s VAL 148 CO 0.04 0.27 1.26 -0.63 0.00 0.00 0.00 175.10 176.05 1n19 s ILE 149 N -0.17 3.94 0.28 2.22 1.01 0.89 -4.47 121.20 124.90 1n19 s ILE 149 Ca 0.50 0.82 0.10 0.00 0.00 0.00 0.00 60.65 62.06 1n19 s ILE 149 Cb -0.29 -4.66 -0.05 0.00 0.01 0.00 0.00 42.46 37.48 1n19 s ILE 149 CO 0.34 -1.32 -0.04 -0.83 0.00 0.00 0.00 174.94 173.09 1n19 s GLY 150 N 3.40 1.75 0.12 6.18 0.00 -0.15 -0.78 107.32 117.84 1n19 s GLY 150 Ca 0.45 -1.74 -0.31 0.00 0.00 0.00 0.00 44.72 43.12 1n19 s GLY 150 CO 0.25 -1.79 1.54 -0.42 0.00 0.00 0.00 173.10 172.68 1n19 s ILE 151 N -2.39 2.95 -0.54 0.90 1.01 -1.26 -0.58 121.20 121.30 1n19 s ILE 151 Ca 0.32 0.60 0.08 0.00 0.00 0.00 0.00 60.65 61.65 1n19 s ILE 151 Cb -0.05 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1n19 s ILE 151 CO 0.19 0.03 0.43 0.00 0.00 0.00 0.00 174.94 175.59 1n19 n ALA 152 N 4.53 2.88 -1.62 9.38 0.00 0.01 -4.83 120.51 130.85 1n19 n ALA 152 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1n19 n ALA 152 Cb 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1n19 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44