#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 -4.22 0.00 -2.24 -1.26 -4.85 114.28 101.70 1n19 n THR 2 Ca 0.00 -0.15 -0.21 0.00 -2.27 0.00 0.00 64.05 61.43 1n19 n THR 2 Cb 0.00 0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 68.88 1n19 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n19 s LYS 3 N -2.81 0.99 0.21 -0.78 1.02 -1.26 -0.28 119.74 116.83 1n19 s LYS 3 Ca 0.04 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 55.90 1n19 s LYS 3 Cb 0.13 -0.95 -0.05 0.00 -0.52 0.00 0.00 37.83 36.44 1n19 s LYS 3 CO 0.74 -0.07 0.03 0.14 -0.92 0.00 0.00 175.35 175.27 1n19 s VAL 4 N 0.91 0.74 0.06 3.17 -7.23 -0.51 -0.67 120.40 116.87 1n19 s VAL 4 Ca -0.11 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 57.97 1n19 s VAL 4 Cb -0.15 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1n19 s VAL 4 CO 0.00 -0.29 0.19 0.54 -0.31 0.00 0.00 175.10 175.23 1n19 s VAL 5 N -3.62 0.13 -0.04 1.32 0.11 0.13 -1.28 120.40 117.16 1n19 s VAL 5 Ca 0.29 -1.04 -0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1n19 s VAL 5 Cb 0.06 -1.12 0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1n19 s VAL 5 CO 0.08 -0.57 0.01 0.00 -3.33 0.00 0.00 175.10 171.29 1n19 s ALA 6 N -3.20 0.35 -0.40 1.54 0.00 -0.41 -0.78 121.76 118.86 1n19 s ALA 6 Ca -0.00 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.93 1n19 s ALA 6 Cb 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1n19 s ALA 6 CO -0.07 -0.22 0.33 0.08 0.00 0.00 0.00 175.76 175.88 1n19 s VAL 7 N 1.41 5.21 -0.20 0.00 1.01 -1.26 -1.39 120.40 125.18 1n19 s VAL 7 Ca -0.04 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 1n19 s VAL 7 Cb -0.13 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1n19 s VAL 7 CO -0.03 -0.30 0.85 -0.76 0.00 0.00 0.00 175.10 174.87 1n19 s LEU 8 N 1.83 4.13 0.02 3.92 1.43 0.62 -3.97 118.68 126.67 1n19 s LEU 8 Ca 0.07 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1n19 s LEU 8 Cb -0.18 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1n19 s LEU 8 CO 0.11 -0.47 -0.05 -0.54 0.23 0.00 0.00 176.35 175.63 1n19 s LYS 9 N 2.49 0.40 0.26 1.70 1.02 -0.34 -1.91 119.74 123.36 1n19 s LYS 9 Ca 0.38 -0.56 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 1n19 s LYS 9 Cb -0.16 -0.18 0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1n19 s LYS 9 CO 0.10 0.03 0.37 0.41 -0.92 0.00 0.00 175.35 175.34 1n19 n GLY 10 N 1.88 2.32 0.01 -3.33 0.00 -1.24 -2.00 105.19 102.84 1n19 n GLY 10 Ca -0.21 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.40 1n19 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n19 n ASP 11 N -1.74 0.07 -0.25 1.61 10.43 -1.26 -4.84 116.55 120.57 1n19 n ASP 11 Ca 0.00 0.51 0.00 0.00 2.57 0.00 0.00 54.79 57.87 1n19 n ASP 11 Cb 0.43 -0.53 0.00 0.00 1.84 0.00 0.00 41.12 42.86 1n19 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n19 n GLY 12 N 0.90 5.07 0.03 0.44 0.00 -1.26 -5.03 105.19 105.34 1n19 n GLY 12 Ca 0.05 -2.05 0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.05 0.07 -2.15 1.61 -0.04 -1.26 -4.83 135.00 128.35 1n19 n PRO 13 Ca 0.00 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 1n19 n PRO 13 Cb 0.00 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 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 -3.06 3.74 0.05 0.52 1.01 -1.26 -4.43 120.40 116.97 1n19 s VAL 14 Ca 0.10 0.98 -0.21 0.00 0.00 0.00 0.00 61.98 62.85 1n19 s VAL 14 Cb 0.14 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.93 1n19 s VAL 14 CO 0.44 -0.06 0.49 0.00 0.00 0.00 0.00 175.10 175.97 1n19 s GLN 15 N 3.44 1.00 0.00 2.72 -2.07 -1.10 -3.68 119.66 119.97 1n19 s GLN 15 Ca 0.67 -0.28 0.00 0.00 -1.82 0.00 0.00 55.36 53.93 1n19 s GLN 15 Cb -0.31 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1n19 s GLN 15 CO 0.25 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.28 1n19 n GLY 16 N 0.43 -1.29 2.93 2.60 0.00 -0.81 -1.49 105.19 107.56 1n19 n GLY 16 Ca -0.18 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.01 0.61 -0.09 -0.61 1.01 -0.91 -0.28 121.20 118.93 1n19 s ILE 17 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1n19 s ILE 17 Cb 0.00 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.89 1n19 s ILE 17 CO 0.00 0.22 -0.13 -0.63 0.00 0.00 0.00 174.94 174.41 1n19 s ILE 18 N 0.60 1.26 0.07 2.92 -1.09 -0.48 -2.00 121.20 122.49 1n19 s ILE 18 Ca -0.09 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1n19 s ILE 18 Cb -0.12 -1.17 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 1n19 s ILE 18 CO 0.00 0.39 0.17 0.20 -1.23 0.00 0.00 174.94 174.48 1n19 s ASN 19 N 0.97 6.08 -0.02 3.58 0.01 0.25 -1.28 114.94 124.53 1n19 s ASN 19 Ca -0.08 0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.27 1n19 s ASN 19 Cb -0.15 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.71 1n19 s ASN 19 CO -0.00 0.17 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.30 1n19 s PHE 20 N -1.48 0.93 -0.04 2.20 0.08 -0.40 -1.22 117.98 118.05 1n19 s PHE 20 Ca 0.33 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 57.14 1n19 s PHE 20 Cb -0.13 -0.66 0.03 0.00 -0.57 0.00 0.00 43.02 41.70 1n19 s PHE 20 CO 0.26 -0.09 0.07 -2.00 -0.10 0.00 0.00 175.22 173.36 1n19 s GLU 21 N 0.16 0.00 -0.39 0.44 2.12 0.22 -1.43 118.70 119.83 1n19 s GLU 21 Ca -0.03 0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.60 1n19 s GLU 21 Cb -0.08 -0.24 0.12 0.00 0.26 0.00 0.00 34.13 34.18 1n19 s GLU 21 CO 0.00 -0.18 0.16 -1.14 -0.54 0.00 0.00 175.26 173.56 1n19 s GLN 22 N 1.22 1.23 0.12 4.30 0.74 0.62 -0.19 119.66 127.70 1n19 s GLN 22 Ca -0.08 -1.78 -0.23 0.00 0.05 0.00 0.00 55.36 53.33 1n19 s GLN 22 Cb -0.12 -2.52 -0.06 0.00 1.10 0.00 0.00 33.01 31.40 1n19 s GLN 22 CO -0.04 -1.06 1.69 0.87 -0.55 0.00 0.00 175.29 176.19 1n19 h LYS 23 N 7.28 -0.17 -5.75 1.67 1.79 -1.81 -3.42 116.57 116.15 1n19 h LYS 23 Ca -0.06 0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 57.75 1n19 h LYS 23 Cb 0.97 0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.52 1n19 h LYS 23 CO 0.51 -0.12 -0.59 -1.21 -1.08 0.00 0.00 179.45 176.97 1n19 s GLU 24 N -6.15 3.28 0.00 3.15 0.41 -1.26 -5.01 118.70 113.11 1n19 s GLU 24 Ca -0.14 -0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.07 1n19 s GLU 24 Cb 0.09 -2.94 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 1n19 s GLU 24 CO 0.67 0.62 0.00 0.45 -0.49 0.00 0.00 175.26 176.51 1n19 n SER 25 N 2.43 0.00 -0.25 -0.19 2.88 -1.26 0.22 113.62 117.45 1n19 n SER 25 Ca -0.18 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.38 1n19 n SER 25 Cb 0.54 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.06 1n19 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1n19 n ASN 26 N -3.41 2.37 -2.81 -3.46 3.02 -1.26 -4.80 115.26 104.91 1n19 n ASN 26 Ca 0.00 -2.03 -0.08 0.00 -0.03 0.00 0.00 54.58 52.44 1n19 n ASN 26 Cb 0.00 -0.10 0.07 0.00 -0.61 0.00 0.00 39.78 39.14 1n19 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n19 n GLY 27 N -0.15 -2.63 3.77 7.41 0.00 0.13 -5.02 105.19 108.71 1n19 n GLY 27 Ca 0.05 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1n19 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n19 s PRO 28 N -3.66 2.31 -0.16 1.61 0.04 -1.26 -4.89 135.00 128.99 1n19 s PRO 28 Ca 0.19 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1n19 s PRO 28 Cb -0.02 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1n19 s PRO 28 CO 0.15 -1.60 -0.10 0.08 0.04 0.00 0.00 177.00 175.56 1n19 s VAL 29 N -2.88 3.12 -0.16 -0.36 1.01 0.16 -4.42 120.40 116.87 1n19 s VAL 29 Ca 0.61 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 1n19 s VAL 29 Cb -0.17 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1n19 s VAL 29 CO 0.55 0.49 0.65 -0.75 0.00 0.00 0.00 175.10 176.05 1n19 s LYS 30 N 0.74 4.28 -0.16 2.72 2.20 0.73 -1.75 119.74 128.50 1n19 s LYS 30 Ca -0.05 0.70 0.01 0.00 -0.36 0.00 0.00 55.97 56.27 1n19 s LYS 30 Cb -0.15 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1n19 s LYS 30 CO 0.02 -0.16 -0.19 0.08 -0.36 0.00 0.00 175.35 174.74 1n19 s VAL 31 N 1.61 2.22 0.08 4.02 1.01 0.62 -0.61 120.40 129.35 1n19 s VAL 31 Ca 0.31 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1n19 s VAL 31 Cb -0.16 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1n19 s VAL 31 CO 0.12 0.53 0.50 -1.66 0.00 0.00 0.00 175.10 174.59 1n19 s TRP 32 N 1.03 -0.38 -4.16 5.22 -2.14 -0.36 -1.19 118.94 116.95 1n19 s TRP 32 Ca -0.02 0.31 0.00 0.00 2.66 0.00 0.00 56.10 59.06 1n19 s TRP 32 Cb -0.14 0.34 0.00 0.00 -3.10 0.00 0.00 33.47 30.57 1n19 s TRP 32 CO -0.06 -0.67 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1n19 n GLY 33 N 0.19 -0.51 3.14 3.67 0.00 -1.03 0.88 105.19 111.53 1n19 n GLY 33 Ca -0.18 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.09 -0.01 1.61 0.15 -0.85 -1.72 113.70 108.79 1n19 s SER 34 Ca 0.00 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.68 1n19 s SER 34 Cb 0.00 0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1n19 s SER 34 CO 0.00 -0.33 -0.07 -0.63 1.20 0.00 0.00 173.24 173.40 1n19 s ILE 35 N -1.06 0.62 0.35 6.45 1.01 -0.79 -2.14 121.20 125.64 1n19 s ILE 35 Ca -0.11 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1n19 s ILE 35 Cb -0.06 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.81 1n19 s ILE 35 CO 0.02 0.19 0.05 -1.59 0.00 0.00 0.00 174.94 173.61 1n19 s LYS 36 N 0.02 1.74 0.00 2.79 -2.85 -0.56 -0.01 119.74 120.88 1n19 s LYS 36 Ca 0.00 -1.98 0.00 0.00 -1.00 0.00 0.00 55.97 52.99 1n19 s LYS 36 Cb -0.05 -1.03 0.00 0.00 -2.06 0.00 0.00 37.83 34.69 1n19 s LYS 36 CO -0.00 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.68 1n19 n GLY 37 N -0.77 0.62 3.93 0.59 0.00 -0.94 -2.72 105.19 105.90 1n19 n GLY 37 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 3.81 0.61 0.99 1.43 -0.88 -4.35 118.68 120.29 1n19 s LEU 38 Ca 0.00 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 1n19 s LEU 38 Cb 0.00 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1n19 s LEU 38 CO 0.00 -0.47 1.02 0.42 0.23 0.00 0.00 176.35 177.54 1n19 s THR 39 N -2.51 4.71 0.21 5.49 -4.23 -1.26 -4.03 115.64 114.02 1n19 s THR 39 Ca 0.44 0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 61.51 1n19 s THR 39 Cb -0.10 -3.86 -0.09 0.00 1.34 0.00 0.00 72.50 69.78 1n19 s THR 39 CO 0.39 -1.11 1.42 -0.70 -0.54 0.00 0.00 174.62 174.08 1n19 s GLU 40 N -5.11 4.30 0.00 3.99 2.12 -1.26 -4.62 118.70 118.12 1n19 s GLU 40 Ca 0.55 2.22 0.00 0.00 0.36 0.00 0.00 54.97 58.10 1n19 s GLU 40 Cb -0.11 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1n19 s GLU 40 CO 0.52 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 1n19 n GLY 41 N 2.59 0.45 3.81 -1.50 0.00 -0.99 -4.95 105.19 104.61 1n19 n GLY 41 Ca 0.08 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 3.29 -0.21 0.99 1.43 -1.26 -1.55 118.68 121.37 1n19 s LEU 42 Ca 0.00 1.72 -0.10 0.00 -1.03 0.00 0.00 54.13 54.72 1n19 s LEU 42 Cb 0.00 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.79 1n19 s LEU 42 CO 0.00 -1.36 0.48 -1.00 0.23 0.00 0.00 176.35 174.70 1n19 s HIS 43 N -2.78 -0.80 0.30 0.29 3.76 -0.61 -3.95 115.29 111.50 1n19 s HIS 43 Ca 0.61 1.59 -0.28 0.00 -0.15 0.00 0.00 55.06 56.82 1n19 s HIS 43 Cb -0.15 0.38 -0.14 0.00 1.11 0.00 0.00 32.58 33.79 1n19 s HIS 43 CO 0.47 -0.45 1.09 0.41 -0.85 0.00 0.00 174.74 175.42 1n19 n GLY 44 N 4.74 -0.02 2.63 -2.22 0.00 0.27 -1.41 105.19 109.19 1n19 n GLY 44 Ca -0.17 0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.01 0.03 0.11 1.61 5.36 -0.27 -0.70 117.98 123.11 1n19 s PHE 45 Ca 0.59 -0.45 -0.01 0.00 -0.96 0.00 0.00 56.93 56.10 1n19 s PHE 45 Cb -0.67 -0.68 -0.04 0.00 -0.34 0.00 0.00 43.02 41.29 1n19 s PHE 45 CO 0.60 -0.76 0.03 -1.01 -1.46 0.00 0.00 175.22 172.62 1n19 s HIS 46 N 2.20 0.81 -0.22 10.12 3.76 -1.00 -2.26 115.29 128.70 1n19 s HIS 46 Ca 0.08 -1.18 -0.12 0.00 -0.15 0.00 0.00 55.06 53.69 1n19 s HIS 46 Cb -0.15 -0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 1n19 s HIS 46 CO -0.27 -0.46 0.23 0.08 -0.85 0.00 0.00 174.74 173.47 1n19 s VAL 47 N -3.98 5.32 0.25 -0.90 1.01 -0.07 -0.75 120.40 121.28 1n19 s VAL 47 Ca 0.20 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1n19 s VAL 47 Cb 0.07 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1n19 s VAL 47 CO -0.01 0.33 0.39 -1.00 0.00 0.00 0.00 175.10 174.81 1n19 s HIS 48 N 1.00 3.46 0.11 5.22 3.76 0.21 -0.90 115.29 128.16 1n19 s HIS 48 Ca 0.11 0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.80 1n19 s HIS 48 Cb -0.13 -1.64 -0.09 0.00 1.11 0.00 0.00 32.58 31.83 1n19 s HIS 48 CO 0.05 0.39 1.62 1.49 -0.85 0.00 0.00 174.74 177.44 1n19 h GLU 49 N 1.18 -0.53 -5.75 1.40 4.81 -0.70 -2.83 114.58 112.17 1n19 h GLU 49 Ca -0.51 0.04 -0.65 0.00 -0.13 0.00 0.00 59.36 58.10 1n19 h GLU 49 Cb 1.22 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 1n19 h GLU 49 CO 0.62 -0.35 -0.49 -0.06 -0.73 0.00 0.00 179.01 177.99 1n19 s PHE 50 N -6.02 3.56 -0.63 0.92 0.08 -0.26 -4.61 117.98 111.03 1n19 s PHE 50 Ca -0.16 0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.29 1n19 s PHE 50 Cb 0.08 -1.87 0.31 0.00 -0.57 0.00 0.00 43.02 40.97 1n19 s PHE 50 CO 0.64 0.68 2.16 0.41 -0.10 0.00 0.00 175.22 179.01 1n19 n GLY 51 N 1.36 5.21 3.38 4.36 0.00 -1.09 -3.54 105.19 114.88 1n19 n GLY 51 Ca -0.15 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.90 6.02 -0.32 1.61 3.68 -1.26 -4.94 116.67 120.56 1n19 s ASP 52 Ca 0.54 -1.23 0.09 0.00 2.13 0.00 0.00 52.55 54.09 1n19 s ASP 52 Cb 0.42 -2.13 0.67 0.00 -1.45 0.00 0.00 42.92 40.43 1n19 s ASP 52 CO -0.17 -0.56 1.73 -3.20 0.13 0.00 0.00 175.17 173.10 1n19 n ASN 53 N 5.13 4.15 0.26 -0.34 4.05 -1.26 -3.15 115.26 124.10 1n19 n ASN 53 Ca -0.12 -3.36 0.16 0.00 0.45 0.00 0.00 54.58 51.72 1n19 n ASN 53 Cb 0.44 -0.72 0.61 0.00 1.23 0.00 0.00 39.78 41.34 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 2.00 0.00 -1.38 -0.44 1.35 -1.92 -3.18 112.91 109.34 1n19 h THR 54 Ca 0.29 -0.57 -0.46 0.00 -0.55 0.00 0.00 66.41 65.12 1n19 h THR 54 Cb 2.22 1.56 -0.41 0.00 -1.73 0.00 0.00 68.15 69.79 1n19 h THR 54 CO 0.69 0.00 -1.02 0.00 -0.25 0.00 0.00 175.52 174.94 1n19 n ALA 55 N -2.08 3.83 -0.95 6.62 0.00 -1.26 -5.05 120.51 121.61 1n19 n ALA 55 Ca 0.01 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1n19 n ALA 55 Cb 0.33 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.16 2.38 0.07 0.00 0.00 -1.20 -2.57 105.19 103.71 1n19 n GLY 56 Ca 0.22 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 1.20 0.00 0.00 1.35 -1.84 -2.79 112.91 110.83 1n19 h THR 58 Ca 0.00 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1n19 h THR 58 Cb 0.66 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1n19 h THR 58 CO 0.00 0.46 0.00 -1.54 -0.25 0.00 0.00 175.52 174.19 1n19 n SER 59 N -3.77 0.00 0.13 5.36 3.41 -1.23 -2.95 113.62 114.58 1n19 n SER 59 Ca -0.01 -0.48 0.12 0.00 -0.26 0.00 0.00 58.87 58.24 1n19 n SER 59 Cb 0.53 -0.13 0.49 0.00 -0.26 0.00 0.00 64.21 64.84 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 -1.13 1.62 -0.19 7.33 0.00 -1.05 -4.37 120.51 122.72 1n19 n ALA 60 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1n19 n ALA 60 Cb 0.14 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.08 -0.86 1.44 0.00 0.00 -1.15 -1.10 105.19 103.43 1n19 n GLY 61 Ca 0.02 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1n19 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n19 n PRO 62 N 0.00 -0.23 -2.19 1.61 -0.04 -1.26 -4.71 135.00 128.19 1n19 n PRO 62 Ca 0.00 -0.84 -0.40 0.00 -0.04 0.00 0.00 63.50 62.22 1n19 n PRO 62 Cb 0.00 -0.43 -0.02 0.00 -0.04 0.00 0.00 33.50 33.01 1n19 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1n19 s HIS 63 N -1.75 3.08 -0.05 0.54 3.76 -1.26 -0.37 115.29 119.24 1n19 s HIS 63 Ca 0.27 1.48 -0.33 0.00 -0.15 0.00 0.00 55.06 56.33 1n19 s HIS 63 Cb -0.01 -3.57 -0.11 0.00 1.11 0.00 0.00 32.58 30.00 1n19 s HIS 63 CO 0.19 -1.62 1.90 0.34 -0.85 0.00 0.00 174.74 174.69 1n19 n PHE 64 N 0.58 2.38 -3.07 1.40 -0.00 -0.08 -4.42 117.46 114.25 1n19 n PHE 64 Ca 0.01 -0.10 -0.18 0.00 -0.00 0.00 0.00 57.45 57.18 1n19 n PHE 64 Cb 0.43 -2.70 -0.03 0.00 -0.00 0.00 0.00 39.48 37.19 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 6.80 -0.46 0.02 -2.13 5.15 -1.26 -2.11 115.26 121.28 1n19 n ASN 65 Ca 0.22 -2.96 0.02 0.00 -0.60 0.00 0.00 54.58 51.26 1n19 n ASN 65 Cb 0.32 0.04 0.38 0.00 -0.53 0.00 0.00 39.78 39.99 1n19 n ASN 65 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1n19 h PRO 66 N 3.69 0.48 -0.25 1.20 0.11 -1.91 -2.46 132.00 132.85 1n19 h PRO 66 Ca 0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1n19 h PRO 66 Cb 0.95 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1n19 h PRO 66 CO 0.42 0.42 0.00 1.28 -0.21 0.00 0.00 178.00 179.91 1n19 n LEU 67 N -4.38 1.70 -3.98 2.35 4.32 -1.26 -4.95 117.00 110.80 1n19 n LEU 67 Ca 0.02 -0.79 -0.26 0.00 -0.02 0.00 0.00 56.01 54.96 1n19 n LEU 67 Cb 0.16 -0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 41.76 1n19 n LEU 67 CO 0.37 0.39 -0.25 -1.20 -1.22 0.00 0.00 177.39 175.49 1n19 n SER 68 N 0.38 -0.30 -4.83 -1.43 7.64 -0.93 -4.99 113.62 109.17 1n19 n SER 68 Ca 0.14 -1.02 -0.20 0.00 1.01 0.00 0.00 58.87 58.80 1n19 n SER 68 Cb 0.30 -2.95 0.06 0.00 -1.01 0.00 0.00 64.21 60.60 1n19 n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1n19 n ARG 69 N -4.41 0.63 -2.52 1.43 5.12 -1.26 -5.12 116.66 110.52 1n19 n ARG 69 Ca -0.30 -3.06 -0.24 0.00 -1.93 0.00 0.00 57.85 52.31 1n19 n ARG 69 Cb 0.68 -0.16 0.04 0.00 -1.16 0.00 0.00 32.46 31.87 1n19 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1n19 s LYS 70 N -4.50 2.61 0.37 5.56 1.02 -1.26 -4.76 119.74 118.78 1n19 s LYS 70 Ca 0.55 -0.42 -0.25 0.00 0.02 0.00 0.00 55.97 55.87 1n19 s LYS 70 Cb -0.04 -2.36 -0.09 0.00 -0.52 0.00 0.00 37.83 34.81 1n19 s LYS 70 CO 0.35 -0.79 1.07 -1.58 -0.92 0.00 0.00 175.35 173.48 1n19 s HIS 71 N -2.92 3.33 0.00 3.18 5.65 -0.71 -3.06 115.29 120.75 1n19 s HIS 71 Ca 0.56 1.65 0.00 0.00 0.25 0.00 0.00 55.06 57.52 1n19 s HIS 71 Cb -0.10 -3.19 0.00 0.00 -1.18 0.00 0.00 32.58 28.11 1n19 s HIS 71 CO 0.42 -0.66 0.00 0.41 -0.65 0.00 0.00 174.74 174.25 1n19 n GLY 72 N 0.58 3.10 3.98 1.59 0.00 -1.26 -4.42 105.19 108.76 1n19 n GLY 72 Ca 0.03 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 1n19 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n19 s GLY 73 N -0.01 1.37 0.49 -0.02 0.00 -1.21 -4.62 107.32 103.33 1n19 s GLY 73 Ca 0.00 -1.33 0.17 0.00 0.00 0.00 0.00 44.72 43.57 1n19 s GLY 73 CO 0.00 -1.30 2.05 -0.56 0.00 0.00 0.00 173.10 173.28 1n19 h PRO 74 N 1.05 0.16 -0.00 2.90 0.13 -1.88 -1.91 132.00 132.46 1n19 h PRO 74 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1n19 h PRO 74 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n19 h PRO 74 CO 0.58 0.11 -0.09 1.63 -0.23 0.00 0.00 178.00 179.99 1n19 n LYS 75 N -4.46 0.42 -2.80 0.86 4.01 -1.26 -4.89 118.16 110.04 1n19 n LYS 75 Ca 0.05 -0.10 -0.36 0.00 -0.51 0.00 0.00 58.31 57.40 1n19 n LYS 75 Cb 0.33 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.28 1n19 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1n19 s ASP 76 N -2.65 7.20 0.14 4.39 -0.00 -0.72 -4.96 116.67 120.08 1n19 s ASP 76 Ca 0.24 1.78 -0.09 0.00 -0.00 0.00 0.00 52.55 54.49 1n19 s ASP 76 Cb 0.20 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.51 1n19 s ASP 76 CO 0.50 -0.16 1.41 -0.08 -0.00 0.00 0.00 175.17 176.83 1n19 h GLU 77 N 2.75 0.73 -4.91 8.23 4.22 -1.90 -3.39 114.58 120.31 1n19 h GLU 77 Ca -0.48 -0.51 -0.69 0.00 0.08 0.00 0.00 59.36 57.77 1n19 h GLU 77 Cb 1.19 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.33 1n19 h GLU 77 CO 0.64 1.13 0.09 -2.00 -2.18 0.00 0.00 179.01 176.69 1n19 s GLU 78 N -3.93 3.10 0.12 1.92 2.56 -1.26 -4.99 118.70 116.22 1n19 s GLU 78 Ca -0.09 -1.00 -0.26 0.00 0.00 0.00 0.00 54.97 53.61 1n19 s GLU 78 Cb 0.10 -4.15 0.07 0.00 2.00 0.00 0.00 34.13 32.15 1n19 s GLU 78 CO 0.88 -1.34 0.97 -0.98 -0.56 0.00 0.00 175.26 174.23 1n19 s ARG 79 N 2.72 1.08 0.37 4.30 1.04 -1.20 -4.18 118.95 123.07 1n19 s ARG 79 Ca 0.15 -0.57 -0.24 0.00 -1.04 0.00 0.00 55.73 54.02 1n19 s ARG 79 Cb -0.20 0.38 -0.10 0.00 -2.04 0.00 0.00 34.95 32.99 1n19 s ARG 79 CO 0.10 -0.49 0.94 -1.01 -0.04 0.00 0.00 175.30 174.81 1n19 s HIS 80 N -3.20 3.53 0.35 5.89 3.76 -1.17 -4.69 115.29 119.76 1n19 s HIS 80 Ca 0.11 1.71 0.07 0.00 -0.15 0.00 0.00 55.06 56.81 1n19 s HIS 80 Cb -0.01 -2.89 0.77 0.00 1.11 0.00 0.00 32.58 31.56 1n19 s HIS 80 CO 0.00 0.08 1.88 0.28 -0.85 0.00 0.00 174.74 176.13 1n19 h VAL 81 N 2.32 0.88 -0.01 -0.90 2.07 -1.88 -0.46 116.25 118.27 1n19 h VAL 81 Ca -0.48 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1n19 h VAL 81 Cb 1.19 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1n19 h VAL 81 CO 0.63 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1n19 n GLY 82 N -1.43 -0.90 3.56 2.17 0.00 -0.90 -4.27 105.19 103.43 1n19 n GLY 82 Ca 0.16 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.87 6.02 -0.23 1.61 1.01 -0.18 -0.90 116.67 122.13 1n19 s ASP 83 Ca 0.41 0.08 0.14 0.00 0.71 0.00 0.00 52.55 53.89 1n19 s ASP 83 Cb 0.19 -2.55 0.61 0.00 1.01 0.00 0.00 42.92 42.18 1n19 s ASP 83 CO 0.32 -1.84 1.54 0.18 0.21 0.00 0.00 175.17 175.59 1n19 n LEU 84 N 9.96 4.57 0.00 1.23 4.77 -0.96 -3.93 117.00 132.65 1n19 n LEU 84 Ca 0.11 -3.14 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 1n19 n LEU 84 Cb 0.50 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1n19 n LEU 84 CO 0.71 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 1n19 n GLY 85 N -0.37 2.34 3.25 -0.72 0.00 -1.22 -4.78 105.19 103.69 1n19 n GLY 85 Ca 0.27 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 2.12 0.12 1.61 0.01 -1.26 -1.11 114.94 112.43 1n19 s ASN 86 Ca 0.00 -0.79 0.07 0.00 -0.71 0.00 0.00 52.86 51.44 1n19 s ASN 86 Cb 0.00 -0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 1n19 s ASN 86 CO 0.00 -0.10 -0.10 0.68 -1.51 0.00 0.00 177.10 176.07 1n19 s VAL 87 N -1.95 3.35 -0.22 1.60 -7.23 -0.50 -4.87 120.40 110.57 1n19 s VAL 87 Ca 0.09 -1.35 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1n19 s VAL 87 Cb -0.06 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1n19 s VAL 87 CO 0.04 0.06 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.93 1n19 s THR 88 N -1.32 3.12 0.11 5.32 2.01 -1.26 -1.57 115.64 122.05 1n19 s THR 88 Ca 0.22 -0.63 -0.22 0.00 0.31 0.00 0.00 61.69 61.37 1n19 s THR 88 Cb -0.11 -2.43 -0.07 0.00 0.01 0.00 0.00 72.50 69.90 1n19 s THR 88 CO 0.14 0.41 0.65 0.00 -0.69 0.00 0.00 174.62 175.12 1n19 s ALA 89 N 1.43 3.54 1.00 7.40 0.00 -0.59 -4.14 121.76 130.39 1n19 s ALA 89 Ca 0.05 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 1n19 s ALA 89 Cb -0.14 -2.76 0.16 0.00 0.00 0.00 0.00 23.12 20.38 1n19 s ALA 89 CO -0.05 0.36 0.96 -0.40 0.00 0.00 0.00 175.76 176.63 1n19 n ASP 90 N 1.68 0.08 0.03 0.00 3.85 0.04 -2.33 116.55 119.90 1n19 n ASP 90 Ca -0.09 -1.35 0.22 0.00 -0.71 0.00 0.00 54.79 52.86 1n19 n ASP 90 Cb 0.50 -0.73 0.73 0.00 -1.35 0.00 0.00 41.12 40.27 1n19 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1n19 h LYS 91 N 0.00 0.00 -0.58 0.11 2.10 -1.97 0.37 116.57 116.59 1n19 h LYS 91 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1n19 h LYS 91 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1n19 h LYS 91 CO 0.22 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.42 1n19 n ASP 92 N -3.96 3.26 -1.24 7.07 8.00 -1.26 -4.82 116.55 123.59 1n19 n ASP 92 Ca 0.10 -2.14 -0.11 0.00 0.71 0.00 0.00 54.79 53.35 1n19 n ASP 92 Cb 0.66 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1n19 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n19 n GLY 93 N 1.20 0.01 3.29 0.44 0.00 0.13 -4.73 105.19 105.53 1n19 n GLY 93 Ca 0.19 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.55 2.79 -0.36 1.61 1.01 -1.26 -2.07 120.40 119.58 1n19 s VAL 94 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1n19 s VAL 94 Cb 0.00 -2.19 0.06 0.00 0.00 0.00 0.00 36.38 34.26 1n19 s VAL 94 CO 0.00 0.51 0.14 0.00 0.00 0.00 0.00 175.10 175.75 1n19 s ALA 95 N 0.78 3.08 -0.45 5.51 0.00 0.99 -0.78 121.76 130.89 1n19 s ALA 95 Ca -0.05 -2.00 -0.27 0.00 0.00 0.00 0.00 51.96 49.64 1n19 s ALA 95 Cb -0.15 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.67 1n19 s ALA 95 CO 0.01 -1.49 1.03 -0.51 0.00 0.00 0.00 175.76 174.80 1n19 s ASP 96 N 1.63 6.60 0.05 0.00 -0.00 -1.26 -1.88 116.67 121.80 1n19 s ASP 96 Ca 0.01 0.37 -0.20 0.00 -0.00 0.00 0.00 52.55 52.73 1n19 s ASP 96 Cb -0.21 -2.50 -0.06 0.00 -0.00 0.00 0.00 42.92 40.15 1n19 s ASP 96 CO 0.01 -1.11 0.57 -0.69 -0.00 0.00 0.00 175.17 173.94 1n19 s VAL 97 N 4.03 4.80 -0.29 -1.27 1.01 -0.70 -4.83 120.40 123.14 1n19 s VAL 97 Ca 0.42 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1n19 s VAL 97 Cb -0.09 -3.90 0.19 0.00 0.00 0.00 0.00 36.38 32.58 1n19 s VAL 97 CO 0.27 0.52 0.74 -0.55 0.00 0.00 0.00 175.10 176.08 1n19 s SER 98 N -0.84 -1.24 0.16 3.32 0.15 -1.25 -2.47 113.70 111.54 1n19 s SER 98 Ca 0.29 0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.95 1n19 s SER 98 Cb -0.19 1.79 0.02 0.00 -1.71 0.00 0.00 66.02 65.94 1n19 s SER 98 CO 0.18 -0.23 0.43 0.27 1.20 0.00 0.00 173.24 175.09 1n19 s ILE 99 N 2.87 0.05 0.14 6.45 -4.36 -0.34 -5.02 121.20 120.99 1n19 s ILE 99 Ca 0.16 -0.79 0.10 0.00 -0.26 0.00 0.00 60.65 59.86 1n19 s ILE 99 Cb -0.08 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.16 1n19 s ILE 99 CO -0.25 -0.24 -0.25 -0.70 0.24 0.00 0.00 174.94 173.74 1n19 s GLU 100 N -3.86 1.37 -0.17 0.37 2.12 -1.26 -0.28 118.70 117.00 1n19 s GLU 100 Ca 0.08 -1.35 -0.16 0.00 0.36 0.00 0.00 54.97 53.90 1n19 s GLU 100 Cb 0.01 -1.78 0.04 0.00 0.26 0.00 0.00 34.13 32.66 1n19 s GLU 100 CO -0.06 0.41 0.45 0.34 -0.54 0.00 0.00 175.26 175.86 1n19 s ASP 101 N -2.15 -0.47 0.00 -1.70 -1.08 -0.72 -4.96 116.67 105.60 1n19 s ASP 101 Ca 0.14 0.89 0.07 0.00 -0.52 0.00 0.00 52.55 53.13 1n19 s ASP 101 Cb -0.10 0.91 0.16 0.00 -1.46 0.00 0.00 42.92 42.43 1n19 s ASP 101 CO 0.06 -0.17 1.05 -1.54 0.52 0.00 0.00 175.17 175.10 1n19 n SER 102 N 2.79 2.34 -0.10 -0.34 3.41 -1.26 0.38 113.62 120.84 1n19 n SER 102 Ca -0.13 -1.83 -0.20 0.00 -0.26 0.00 0.00 58.87 56.45 1n19 n SER 102 Cb 0.57 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.20 1.52 -0.94 -3.33 0.31 -1.26 -4.88 118.33 109.96 1n19 n VAL 103 Ca 0.07 -0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.08 1n19 n VAL 103 Cb 0.32 -2.08 0.16 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.36 2.44 0.12 2.52 -4.36 -1.26 -4.94 121.20 113.36 1n19 s ILE 104 Ca -0.27 0.14 -0.20 0.00 -0.26 0.00 0.00 60.65 60.06 1n19 s ILE 104 Cb 0.06 -2.42 0.05 0.00 1.25 0.00 0.00 42.46 41.40 1n19 s ILE 104 CO 0.53 -0.19 0.49 -0.55 0.24 0.00 0.00 174.94 175.46 1n19 s SER 105 N -3.03 -0.38 0.00 4.36 0.15 -1.05 -4.74 113.70 109.01 1n19 s SER 105 Ca 0.65 -0.10 0.22 0.00 0.70 0.00 0.00 55.95 57.42 1n19 s SER 105 Cb -0.21 0.51 0.64 0.00 -1.71 0.00 0.00 66.02 65.26 1n19 s SER 105 CO 0.59 -0.85 1.53 0.18 1.20 0.00 0.00 173.24 175.89 1n19 n LEU 106 N -0.11 3.89 -3.66 3.45 4.77 -1.26 -0.61 117.00 123.48 1n19 n LEU 106 Ca -0.17 -1.94 -0.10 0.00 -0.03 0.00 0.00 56.01 53.77 1n19 n LEU 106 Cb 0.63 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1n19 n LEU 106 CO 0.16 0.97 0.25 -0.94 -1.33 0.00 0.00 177.39 176.50 1n19 s SER 107 N -1.01 -0.29 0.00 -1.43 1.04 -1.26 -4.78 113.70 105.97 1n19 s SER 107 Ca 0.49 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1n19 s SER 107 Cb 0.25 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1n19 s SER 107 CO 0.33 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1n19 n GLY 108 N -0.30 -1.76 0.14 7.32 0.00 -1.26 -3.28 105.19 106.05 1n19 n GLY 108 Ca -0.13 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 -0.41 1.61 3.32 -2.01 -2.68 116.42 116.25 1n19 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n19 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1n19 h ASP 109 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1n19 n HIS 110 N -2.34 0.53 -1.75 4.55 8.25 -1.26 -4.93 115.22 118.26 1n19 n HIS 110 Ca 0.03 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.81 1n19 n HIS 110 Cb 0.28 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 1n19 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n19 n SER 111 N 1.45 3.89 -0.92 0.41 2.88 -1.01 -2.54 113.62 117.77 1n19 n SER 111 Ca 0.20 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.98 1n19 n SER 111 Cb 0.59 -1.60 0.18 0.00 -0.75 0.00 0.00 64.21 62.63 1n19 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1n19 n ILE 112 N 1.96 0.62 -2.10 2.46 -5.35 0.23 -4.91 119.36 112.27 1n19 n ILE 112 Ca 0.08 -0.81 -0.42 0.00 -0.27 0.00 0.00 62.75 61.33 1n19 n ILE 112 Cb 0.37 0.83 -0.03 0.00 -1.74 0.00 0.00 39.64 39.07 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 -1.19 3.01 0.00 7.28 1.01 -1.26 -1.97 121.20 128.07 1n19 s ILE 113 Ca 0.31 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1n19 s ILE 113 Cb 0.18 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1n19 s ILE 113 CO 0.24 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1n19 n GLY 114 N 3.09 0.67 1.37 6.18 0.00 0.76 -5.00 105.19 112.26 1n19 n GLY 114 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.62 1.10 -5.13 1.61 1.74 -0.83 -2.66 116.66 109.86 1n19 n ARG 115 Ca 0.00 -1.20 -0.31 0.00 -0.77 0.00 0.00 57.85 55.57 1n19 n ARG 115 Cb 0.00 0.07 -0.15 0.00 -1.02 0.00 0.00 32.46 31.36 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 -0.76 2.39 -0.18 0.55 2.01 -1.07 0.11 115.64 118.70 1n19 s THR 116 Ca 0.14 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 1n19 s THR 116 Cb -0.01 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1n19 s THR 116 CO 0.09 0.56 0.12 -0.22 -0.69 0.00 0.00 174.62 174.48 1n19 s LEU 117 N -0.73 4.18 0.01 4.42 2.96 -0.61 0.68 118.68 129.59 1n19 s LEU 117 Ca 0.11 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1n19 s LEU 117 Cb -0.10 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1n19 s LEU 117 CO -0.00 0.24 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.42 1n19 s VAL 118 N 0.01 1.26 -0.14 1.68 1.01 0.07 -2.35 120.40 121.94 1n19 s VAL 118 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1n19 s VAL 118 Cb -0.11 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1n19 s VAL 118 CO -0.00 0.26 -0.14 0.54 0.00 0.00 0.00 175.10 175.75 1n19 s VAL 119 N -0.52 2.90 0.31 2.92 0.11 -0.58 -2.37 120.40 123.17 1n19 s VAL 119 Ca 0.05 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 1n19 s VAL 119 Cb -0.07 -2.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 1n19 s VAL 119 CO 0.00 0.52 0.43 -1.00 -3.33 0.00 0.00 175.10 171.72 1n19 s HIS 120 N 0.50 3.17 0.09 1.54 3.76 0.12 -1.17 115.29 123.30 1n19 s HIS 120 Ca -0.10 -0.18 -0.18 0.00 -0.15 0.00 0.00 55.06 54.45 1n19 s HIS 120 Cb -0.16 -1.88 -0.08 0.00 1.11 0.00 0.00 32.58 31.58 1n19 s HIS 120 CO 0.04 0.11 1.52 1.49 -0.85 0.00 0.00 174.74 177.05 1n19 h GLU 121 N 0.99 0.46 -5.87 1.40 4.81 -0.94 -3.36 114.58 112.07 1n19 h GLU 121 Ca -0.47 -0.15 -0.58 0.00 -0.13 0.00 0.00 59.36 58.03 1n19 h GLU 121 Cb 1.25 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 1n19 h GLU 121 CO 0.55 0.64 -0.36 0.15 -0.73 0.00 0.00 179.01 179.26 1n19 s LYS 122 N -4.96 2.27 0.42 1.92 1.02 0.41 -4.91 119.74 115.92 1n19 s LYS 122 Ca -0.14 -1.99 -0.22 0.00 0.02 0.00 0.00 55.97 53.65 1n19 s LYS 122 Cb 0.08 -2.05 -0.11 0.00 -0.52 0.00 0.00 37.83 35.23 1n19 s LYS 122 CO 0.75 -0.48 0.96 0.00 -0.92 0.00 0.00 175.35 175.66 1n19 s ALA 123 N -2.73 3.04 -0.30 5.17 0.00 -1.25 -0.56 121.76 125.12 1n19 s ALA 123 Ca 0.33 0.44 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 1n19 s ALA 123 Cb -0.01 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1n19 s ALA 123 CO 0.20 0.08 0.74 0.34 0.00 0.00 0.00 175.76 177.12 1n19 s ASP 124 N -2.08 6.62 0.00 0.00 3.68 -1.26 -3.87 116.67 119.76 1n19 s ASP 124 Ca 0.61 0.61 0.00 0.00 2.13 0.00 0.00 52.55 55.90 1n19 s ASP 124 Cb -0.11 -2.38 0.00 0.00 -1.45 0.00 0.00 42.92 38.97 1n19 s ASP 124 CO 0.15 -0.57 0.55 -0.90 0.13 0.00 0.00 175.17 174.54 1n19 n ASP 125 N 6.10 0.30 -0.94 -0.34 3.85 -0.16 -4.82 116.55 120.54 1n19 n ASP 125 Ca 0.02 -1.41 -0.08 0.00 -0.71 0.00 0.00 54.79 52.61 1n19 n ASP 125 Cb 0.48 -0.15 -0.04 0.00 -1.35 0.00 0.00 41.12 40.07 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 -0.22 -0.43 0.00 -2.12 4.77 -1.26 -0.65 117.00 117.09 1n19 n LEU 126 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1n19 n LEU 126 Cb 0.08 -1.76 0.00 0.00 -2.33 0.00 0.00 43.42 39.41 1n19 n LEU 126 CO 0.00 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 1n19 n GLY 127 N 0.01 0.57 0.63 -0.72 0.00 -1.25 -3.28 105.19 101.16 1n19 n GLY 127 Ca -0.08 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.58 2.88 -1.96 1.61 4.76 0.18 -4.73 118.16 118.33 1n19 n LYS 128 Ca 0.00 -2.07 -0.32 0.00 -2.87 0.00 0.00 58.31 53.05 1n19 n LYS 128 Cb 0.03 -1.29 0.01 0.00 -1.84 0.00 0.00 35.03 31.95 1n19 n LYS 128 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1n19 s GLY 129 N -1.04 1.95 -0.90 0.72 0.00 -1.26 -4.95 107.32 101.85 1n19 s GLY 129 Ca 0.23 0.23 -0.05 0.00 0.00 0.00 0.00 44.72 45.14 1n19 s GLY 129 CO 0.15 0.54 2.66 0.61 0.00 0.00 0.00 173.10 177.06 1n19 n GLY 130 N -1.50 4.66 3.83 0.20 0.00 -1.26 -4.83 105.19 106.29 1n19 n GLY 130 Ca 0.08 -1.90 -0.06 0.00 0.00 0.00 0.00 46.02 44.14 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 0.57 -0.21 0.13 1.61 2.20 -1.26 -5.06 114.94 112.93 1n19 s ASN 131 Ca 0.58 -0.60 -0.11 0.00 -0.94 0.00 0.00 52.86 51.78 1n19 s ASN 131 Cb 0.28 0.67 -0.06 0.00 -2.00 0.00 0.00 41.25 40.14 1n19 s ASN 131 CO -0.14 -1.25 1.46 -0.33 -2.94 0.00 0.00 177.10 173.90 1n19 h GLU 132 N 2.00 0.91 -0.49 3.55 4.39 -2.02 -3.21 114.58 119.71 1n19 h GLU 132 Ca -0.22 -0.49 0.11 0.00 0.34 0.00 0.00 59.36 59.10 1n19 h GLU 132 Cb 1.24 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 1n19 h GLU 132 CO 0.25 1.14 0.34 1.49 -1.16 0.00 0.00 179.01 181.07 1n19 h GLU 133 N 0.72 0.19 -0.97 2.33 4.57 -1.97 -2.57 114.58 116.88 1n19 h GLU 133 Ca 0.05 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.35 1n19 h GLU 133 Cb 1.00 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.46 1n19 h GLU 133 CO 0.10 0.12 0.59 1.03 -1.18 0.00 0.00 179.01 179.67 1n19 h SER 134 N 0.19 0.84 -0.27 1.04 0.87 -1.87 0.20 113.55 114.55 1n19 h SER 134 Ca 0.23 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1n19 h SER 134 Cb 0.65 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1n19 h SER 134 CO -0.04 0.42 0.00 0.35 -0.53 0.00 0.00 176.83 177.03 1n19 n THR 135 N -4.68 0.36 -0.02 2.23 -2.24 -0.97 -1.85 114.28 107.10 1n19 n THR 135 Ca 0.19 -0.37 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 1n19 n THR 135 Cb 0.39 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.31 0.26 0.00 -0.78 4.76 0.46 -1.74 118.16 121.44 1n19 n LYS 136 Ca 0.11 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1n19 n LYS 136 Cb 0.25 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 1n19 n LYS 136 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1n19 n THR 137 N -3.93 0.52 -1.20 -0.18 -2.24 0.18 -4.61 114.28 102.83 1n19 n THR 137 Ca -0.09 -0.56 -0.07 0.00 -2.27 0.00 0.00 64.05 61.06 1n19 n THR 137 Cb 0.31 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.26 0.72 2.34 3.38 0.00 -0.77 -2.85 105.19 107.75 1n19 n GLY 138 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.91 -4.66 0.33 1.61 3.02 -1.26 -0.99 115.26 112.40 1n19 n ASN 139 Ca -0.07 0.31 0.21 0.00 -0.03 0.00 0.00 54.58 55.00 1n19 n ASN 139 Cb 0.50 -4.11 1.14 0.00 -0.61 0.00 0.00 39.78 36.70 1n19 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n19 h ALA 140 N 0.58 1.14 0.00 5.41 0.00 -1.63 -3.44 119.26 121.32 1n19 h ALA 140 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1n19 h ALA 140 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n19 h ALA 140 CO 0.50 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1n19 n GLY 141 N -1.14 -0.86 3.74 0.00 0.00 -1.26 -0.44 105.19 105.21 1n19 n GLY 141 Ca -0.03 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 4.57 -0.43 1.61 1.04 -1.26 -4.69 113.70 110.54 1n19 s SER 142 Ca 0.00 2.32 -0.21 0.00 0.48 0.00 0.00 55.95 58.54 1n19 s SER 142 Cb 0.00 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1n19 s SER 142 CO 0.00 -2.01 0.66 -0.13 0.98 0.00 0.00 173.24 172.74 1n19 s ARG 143 N -3.78 3.33 0.04 4.02 0.52 -1.26 -0.67 118.95 121.15 1n19 s ARG 143 Ca 0.74 -0.30 -0.13 0.00 -0.52 0.00 0.00 55.73 55.52 1n19 s ARG 143 Cb -0.28 -3.94 -0.34 0.00 0.52 0.00 0.00 34.95 30.91 1n19 s ARG 143 CO 0.42 -1.00 1.03 -0.07 0.02 0.00 0.00 175.30 175.70 1n19 h LEU 144 N 9.72 0.76 -7.30 2.53 3.38 -1.45 -3.48 115.31 119.47 1n19 h LEU 144 Ca -0.25 -0.82 -0.08 0.00 0.09 0.00 0.00 57.88 56.82 1n19 h LEU 144 Cb 1.10 -0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.42 1n19 h LEU 144 CO 0.90 1.64 -0.06 0.00 0.09 0.00 0.00 178.44 181.01 1n19 s ALA 145 N -2.62 -1.17 0.29 1.53 0.00 -1.19 -4.06 121.76 114.55 1n19 s ALA 145 Ca -0.08 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.31 1n19 s ALA 145 Cb 0.05 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.41 1n19 s ALA 145 CO 0.94 -0.41 0.57 0.00 0.00 0.00 0.00 175.76 176.86 1n19 s GLY 147 N -3.03 -0.07 0.23 0.00 0.00 -0.99 -1.19 107.32 102.27 1n19 s GLY 147 Ca 0.20 2.74 -0.30 0.00 0.00 0.00 0.00 44.72 47.36 1n19 s GLY 147 CO 0.10 1.71 1.18 0.14 0.00 0.00 0.00 173.10 176.23 1n19 s VAL 148 N -0.05 3.43 -0.45 1.40 1.01 -1.26 -1.58 120.40 122.90 1n19 s VAL 148 Ca 0.03 1.30 -0.28 0.00 0.00 0.00 0.00 61.98 63.03 1n19 s VAL 148 Cb -0.04 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1n19 s VAL 148 CO -0.07 0.25 1.09 -0.63 0.00 0.00 0.00 175.10 175.75 1n19 s ILE 149 N -0.55 4.30 0.30 2.22 1.01 0.12 -4.51 121.20 124.10 1n19 s ILE 149 Ca 0.50 1.23 0.11 0.00 0.00 0.00 0.00 60.65 62.49 1n19 s ILE 149 Cb -0.33 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.54 1n19 s ILE 149 CO 0.40 -0.89 -0.13 -0.83 0.00 0.00 0.00 174.94 173.49 1n19 s GLY 150 N 2.29 1.95 0.14 6.18 0.00 0.04 -0.17 107.32 117.75 1n19 s GLY 150 Ca 0.46 -1.91 -0.31 0.00 0.00 0.00 0.00 44.72 42.95 1n19 s GLY 150 CO 0.28 -1.95 1.51 -0.42 0.00 0.00 0.00 173.10 172.52 1n19 s ILE 151 N -2.51 2.88 0.25 0.90 1.01 -1.26 0.20 121.20 122.66 1n19 s ILE 151 Ca 0.31 0.62 0.10 0.00 0.00 0.00 0.00 60.65 61.67 1n19 s ILE 151 Cb -0.03 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1n19 s ILE 151 CO 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 174.94 175.12 1n19 s ALA 152 N 1.21 3.11 -2.00 9.38 0.00 0.15 -4.80 121.76 128.81 1n19 s ALA 152 Ca 0.68 -1.63 0.14 0.00 0.00 0.00 0.00 51.96 51.16 1n19 s ALA 152 Cb -0.41 -0.75 0.86 0.00 0.00 0.00 0.00 23.12 22.83 1n19 s ALA 152 CO 0.31 0.30 1.28 0.94 0.00 0.00 0.00 175.76 178.59