#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3v n ASN 2 N 0.00 0.64 -3.04 6.12 3.02 -1.26 -4.98 115.26 115.75 3h3v n ASN 2 Ca 0.00 0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 54.42 3h3v n ASN 2 Cb 0.00 0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 3h3v n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3v n ALA 3 N -2.38 -2.24 -0.52 5.41 0.00 -1.26 -4.84 120.51 114.68 3h3v n ALA 3 Ca -0.10 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 3h3v n ALA 3 Cb 0.79 -1.20 0.24 0.00 0.00 0.00 0.00 19.45 19.28 3h3v n ALA 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h3v n PRO 4 N 1.37 -2.39 -2.71 0.00 -0.04 -1.26 -4.86 135.00 125.10 3h3v n PRO 4 Ca 0.15 -0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 62.51 3h3v n PRO 4 Cb 0.03 -1.99 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 3h3v n PRO 4 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3h3v s ASP 5 N -2.20 7.28 0.12 3.54 -1.08 -1.26 -4.92 116.67 118.15 3h3v s ASP 5 Ca 0.64 1.56 -0.24 0.00 -0.52 0.00 0.00 52.55 53.99 3h3v s ASP 5 Cb -0.21 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.65 3h3v s ASP 5 CO 0.66 -0.37 1.18 0.54 0.52 0.00 0.00 175.17 177.70 3h3v n ARG 6 N 4.57 -0.34 0.00 4.34 5.12 -1.26 -0.53 116.66 128.56 3h3v n ARG 6 Ca 0.07 1.16 0.00 0.00 -1.93 0.00 0.00 57.85 57.15 3h3v n ARG 6 Cb 0.50 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 3h3v n ARG 6 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3h3v n PHE 7 N -4.96 0.00 1.56 -1.55 1.16 -1.26 -1.16 117.46 111.25 3h3v n PHE 7 Ca 0.02 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.73 3h3v n PHE 7 Cb 0.20 0.00 0.57 0.00 -1.61 0.00 0.00 39.48 38.64 3h3v n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3h3v n GLU 8 N -0.59 1.51 0.00 3.97 1.02 0.31 -2.57 120.64 124.28 3h3v n GLU 8 Ca 0.00 -0.75 0.14 0.00 -0.02 0.00 0.00 57.16 56.53 3h3v n GLU 8 Cb 0.00 -1.45 0.58 0.00 -0.02 0.00 0.00 31.44 30.55 3h3v n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h3v n LEU 9 N -0.07 0.11 0.00 -4.62 4.77 -0.31 -4.44 117.00 112.43 3h3v n LEU 9 Ca 0.19 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3h3v n LEU 9 Cb 0.28 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3h3v n LEU 9 CO 0.15 0.02 0.00 2.22 -1.33 0.00 0.00 177.39 178.46 3h3v n PHE 10 N -1.44 0.00 -2.75 -1.77 -0.00 -1.24 -4.48 117.46 105.79 3h3v n PHE 10 Ca 0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.12 3h3v n PHE 10 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.77 3h3v n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3h3v s LEU 11 N -0.72 4.40 -0.04 5.98 2.01 -1.06 -4.85 118.68 124.40 3h3v s LEU 11 Ca 0.00 1.64 -0.26 0.00 0.01 0.00 0.00 54.13 55.52 3h3v s LEU 11 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 46.19 42.65 3h3v s LEU 11 CO 0.00 -0.20 0.80 -0.76 1.01 0.00 0.00 176.35 177.20 3h3v s LEU 12 N 0.74 4.34 0.27 1.79 1.02 -1.26 -4.76 118.68 120.82 3h3v s LEU 12 Ca 0.49 1.37 -0.15 0.00 0.02 0.00 0.00 54.13 55.86 3h3v s LEU 12 Cb -0.21 -3.26 -0.08 0.00 0.02 0.00 0.00 46.19 42.65 3h3v s LEU 12 CO 0.27 -0.16 0.68 -0.83 0.02 0.00 0.00 176.35 176.33 3h3v s GLY 13 N 0.83 2.39 0.00 -3.19 0.00 -1.26 -4.85 107.32 101.24 3h3v s GLY 13 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.13 3h3v s GLY 13 CO 0.22 0.21 0.00 -2.21 0.00 0.00 0.00 173.10 171.32 3h3v n GLU 14 N 0.02 0.00 -2.99 2.90 2.13 -1.26 -3.79 120.64 117.65 3h3v n GLU 14 Ca 0.01 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.82 3h3v n GLU 14 Cb 0.52 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.23 3h3v n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h3v n GLY 15 N 0.00 -1.71 2.91 8.31 0.00 -1.26 -5.04 105.19 108.40 3h3v n GLY 15 Ca 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 3h3v n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3v s GLU 16 N -0.99 0.58 0.15 1.61 2.02 -1.25 -5.13 118.70 115.69 3h3v s GLU 16 Ca -0.03 -0.34 -0.32 0.00 0.02 0.00 0.00 54.97 54.31 3h3v s GLU 16 Cb 0.00 0.03 -0.12 0.00 0.10 0.00 0.00 34.13 34.15 3h3v s GLU 16 CO 0.30 -0.79 1.78 0.43 0.02 0.00 0.00 175.26 176.99 3h3v n SER 17 N 3.66 3.94 -0.23 -0.19 7.64 -1.26 -4.79 113.62 122.38 3h3v n SER 17 Ca 0.11 1.02 0.06 0.00 1.01 0.00 0.00 58.87 61.07 3h3v n SER 17 Cb 0.60 -1.54 0.12 0.00 -1.01 0.00 0.00 64.21 62.38 3h3v n SER 17 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3h3v n LYS 18 N 4.84 -0.06 -4.16 1.43 4.76 -1.26 -4.16 118.16 119.55 3h3v n LYS 18 Ca 0.17 1.02 -0.31 0.00 -2.87 0.00 0.00 58.31 56.32 3h3v n LYS 18 Cb 0.35 -1.54 -0.08 0.00 -1.84 0.00 0.00 35.03 31.92 3h3v n LYS 18 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h3v s LEU 19 N -10.03 3.54 -0.20 -0.35 1.43 -1.26 0.65 118.68 112.45 3h3v s LEU 19 Ca -0.09 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3h3v s LEU 19 Cb 0.18 -2.20 0.09 0.00 0.03 0.00 0.00 46.19 44.30 3h3v s LEU 19 CO 0.51 0.20 0.43 -0.75 0.23 0.00 0.00 176.35 176.97 3h3v s LYS 20 N -2.11 0.33 -0.24 1.70 2.20 -1.07 -4.98 119.74 115.57 3h3v s LYS 20 Ca 0.25 1.04 -0.04 0.00 -0.36 0.00 0.00 55.97 56.86 3h3v s LYS 20 Cb -0.12 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 3h3v s LYS 20 CO 0.17 -0.26 -0.03 0.42 -0.36 0.00 0.00 175.35 175.29 3h3v s ILE 21 N 2.62 3.35 -0.11 5.43 1.01 -1.26 0.57 121.20 132.82 3h3v s ILE 21 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3h3v s ILE 21 Cb -0.12 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3h3v s ILE 21 CO -0.13 0.32 -0.11 -1.81 0.00 0.00 0.00 174.94 173.21 3h3v s ASP 22 N 1.45 4.20 -0.04 3.58 1.01 -0.03 -4.98 116.67 121.86 3h3v s ASP 22 Ca 0.04 -0.23 -0.30 0.00 0.71 0.00 0.00 52.55 52.77 3h3v s ASP 22 Cb -0.15 -1.39 -0.04 0.00 1.01 0.00 0.00 42.92 42.35 3h3v s ASP 22 CO -0.03 0.24 1.24 -2.16 0.21 0.00 0.00 175.17 174.67 3h3v s PRO 23 N -0.07 4.34 -0.11 8.23 0.04 -1.26 -0.82 135.00 145.35 3h3v s PRO 23 Ca -0.01 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 3h3v s PRO 23 Cb -0.14 -3.56 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 3h3v s PRO 23 CO 0.03 -0.47 0.97 0.34 0.04 0.00 0.00 177.00 177.91 3h3v s ASP 24 N 1.55 7.20 0.07 6.66 -1.08 -1.17 -4.89 116.67 125.01 3h3v s ASP 24 Ca 0.57 1.47 0.20 0.00 -0.52 0.00 0.00 52.55 54.27 3h3v s ASP 24 Cb -0.26 -2.54 -0.14 0.00 -1.46 0.00 0.00 42.92 38.53 3h3v s ASP 24 CO 0.23 -0.41 0.77 0.41 0.52 0.00 0.00 175.17 176.69 3h3v n THR 25 N 4.51 0.75 -0.36 1.71 -1.04 -1.26 -4.32 114.28 114.26 3h3v n THR 25 Ca 0.07 -0.61 0.30 0.00 -2.04 0.00 0.00 64.05 61.77 3h3v n THR 25 Cb 0.49 -0.41 0.56 0.00 -1.82 0.00 0.00 70.33 69.14 3h3v n THR 25 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3h3v h LYS 26 N 0.00 0.16 -3.49 -2.82 1.79 -1.99 -3.41 116.57 106.82 3h3v h LYS 26 Ca -0.10 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.22 3h3v h LYS 26 Cb 1.30 -0.04 -0.21 0.00 -1.58 0.00 0.00 32.23 31.70 3h3v h LYS 26 CO 0.02 0.10 -0.49 0.00 -1.08 0.00 0.00 179.45 178.01 3h3v s ALA 27 N -5.51 -0.35 0.50 3.86 0.00 -1.26 -5.15 121.76 113.85 3h3v s ALA 27 Ca -0.09 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 3h3v s ALA 27 Cb 0.31 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 3h3v s ALA 27 CO 0.80 -0.20 1.25 -0.35 0.00 0.00 0.00 175.76 177.25 3h3v n PRO 28 N 1.54 1.64 -2.90 0.00 -0.04 -1.26 -4.39 135.00 129.60 3h3v n PRO 28 Ca -0.22 0.60 -0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3h3v n PRO 28 Cb 0.56 -2.42 -0.00 0.00 -0.04 0.00 0.00 33.50 31.59 3h3v n PRO 28 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3h3v n ASN 29 N -0.46 -6.23 0.00 3.54 2.85 -1.26 -4.92 115.26 108.78 3h3v n ASN 29 Ca 0.09 1.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 3h3v n ASN 29 Cb 0.43 -1.79 0.00 0.00 1.24 0.00 0.00 39.78 39.66 3h3v n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h3v n ALA 30 N 2.41 0.00 -2.95 5.20 0.00 -1.26 -3.98 120.51 119.93 3h3v n ALA 30 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 3h3v n ALA 30 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 3h3v n ALA 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3h3v s VAL 31 N -2.00 0.07 -0.17 0.00 1.01 -0.30 -3.07 120.40 115.93 3h3v s VAL 31 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3h3v s VAL 31 Cb 0.00 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.91 3h3v s VAL 31 CO 0.00 -0.30 -0.09 -0.69 0.00 0.00 0.00 175.10 174.02 3h3v s VAL 32 N -3.88 1.42 -0.22 2.92 1.01 -0.00 -0.13 120.40 121.51 3h3v s VAL 32 Ca 0.09 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 3h3v s VAL 32 Cb 0.02 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3h3v s VAL 32 CO -0.06 0.23 0.13 -0.63 0.00 0.00 0.00 175.10 174.76 3h3v s ILE 33 N 1.51 5.12 -0.42 2.22 1.01 0.18 -0.85 121.20 129.97 3h3v s ILE 33 Ca 0.01 0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.58 3h3v s ILE 33 Cb -0.15 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 38.97 3h3v s ILE 33 CO -0.09 0.38 0.46 -0.89 0.00 0.00 0.00 174.94 174.81 3h3v s THR 34 N 0.90 5.05 -0.29 2.92 2.01 0.19 -0.08 115.64 126.35 3h3v s THR 34 Ca 0.06 -0.24 -0.19 0.00 0.31 0.00 0.00 61.69 61.63 3h3v s THR 34 Cb -0.13 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 3h3v s THR 34 CO 0.03 -0.42 0.58 -0.36 -0.69 0.00 0.00 174.62 173.75 3h3v s PHE 35 N 2.24 3.23 0.36 4.92 0.40 -0.14 -2.59 117.98 126.40 3h3v s PHE 35 Ca 0.14 0.57 -0.06 0.00 -0.60 0.00 0.00 56.93 56.98 3h3v s PHE 35 Cb -0.17 -2.88 -0.05 0.00 0.51 0.00 0.00 43.02 40.44 3h3v s PHE 35 CO 0.14 -0.41 0.65 -1.21 0.70 0.00 0.00 175.22 175.10 3h3v s GLU 36 N 2.48 3.63 -1.36 0.44 0.41 0.21 -1.92 118.70 122.59 3h3v s GLU 36 Ca 0.23 0.11 -0.05 0.00 -0.41 0.00 0.00 54.97 54.85 3h3v s GLU 36 Cb -0.15 -2.53 0.05 0.00 -1.78 0.00 0.00 34.13 29.71 3h3v s GLU 36 CO 0.11 0.06 0.12 1.63 -0.49 0.00 0.00 175.26 176.69 3h3v n LYS 37 N -1.41 -0.90 -4.14 1.61 4.76 -0.79 -4.84 118.16 112.45 3h3v n LYS 37 Ca -0.01 0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 3h3v n LYS 37 Cb 0.54 -3.20 -0.07 0.00 -1.84 0.00 0.00 35.03 30.46 3h3v n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3h3v n GLU 38 N -3.86 0.45 0.00 1.97 -0.58 -1.24 -4.55 120.64 112.83 3h3v n GLU 38 Ca -0.19 -3.16 0.00 0.00 -0.42 0.00 0.00 57.16 53.40 3h3v n GLU 38 Cb 0.53 2.31 0.00 0.00 -0.57 0.00 0.00 31.44 33.71 3h3v n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3h3v n ASP 39 N -1.71 0.00 0.00 1.62 5.75 -1.26 -2.08 116.55 118.88 3h3v n ASP 39 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.68 3h3v n ASP 39 Cb 0.57 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.57 3h3v n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3h3v h HIS 40 N 0.00 -1.35 -0.12 2.11 3.86 -1.96 0.55 115.15 118.24 3h3v h HIS 40 Ca 0.00 0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3h3v h HIS 40 Cb 0.00 0.60 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3h3v h HIS 40 CO 0.00 -0.46 -0.07 2.41 0.86 0.00 0.00 177.93 180.66 3h3v n THR 41 N -4.96 -0.08 0.29 2.45 -1.04 -1.26 0.27 114.28 109.94 3h3v n THR 41 Ca -0.05 0.32 0.12 0.00 -2.04 0.00 0.00 64.05 62.39 3h3v n THR 41 Cb 0.32 -0.39 0.07 0.00 -1.82 0.00 0.00 70.33 68.50 3h3v n THR 41 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3h3v h LEU 42 N 0.00 0.00 0.00 -4.42 6.46 -1.95 -3.34 115.31 112.07 3h3v h LEU 42 Ca 0.02 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 3h3v h LEU 42 Cb 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 3h3v h LEU 42 CO -0.11 0.05 0.00 0.61 -0.62 0.00 0.00 178.44 178.36 3h3v n GLY 43 N 1.24 -0.41 0.27 3.75 0.00 0.76 -2.57 105.19 108.23 3h3v n GLY 43 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3h3v n GLY 43 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h3v n ASN 44 N -1.09 -0.03 0.14 1.61 5.15 0.11 -0.11 115.26 121.04 3h3v n ASN 44 Ca 0.00 1.32 -0.13 0.00 -0.60 0.00 0.00 54.58 55.16 3h3v n ASN 44 Cb 0.00 -0.51 -0.07 0.00 -0.53 0.00 0.00 39.78 38.67 3h3v n ASN 44 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3h3v h LEU 45 N 0.00 -0.40 0.00 1.20 5.85 -1.69 -0.51 115.31 119.77 3h3v h LEU 45 Ca 0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.26 3h3v h LEU 45 Cb 1.11 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3h3v h LEU 45 CO -0.71 -0.24 0.00 -0.38 -0.34 0.00 0.00 178.44 176.77 3h3v n ILE 46 N -5.28 0.33 -0.07 4.05 5.41 0.84 -2.16 119.36 122.48 3h3v n ILE 46 Ca -0.08 0.08 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 3h3v n ILE 46 Cb 0.19 -0.77 -0.12 0.00 -0.71 0.00 0.00 39.64 38.23 3h3v n ILE 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3h3v n ARG 47 N -1.22 0.64 0.15 0.38 0.00 -0.59 -3.40 116.66 112.63 3h3v n ARG 47 Ca 0.10 0.42 -0.06 0.00 -0.00 0.00 0.00 57.85 58.32 3h3v n ARG 47 Cb 0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 30.85 3h3v n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h3v h ALA 48 N -0.30 -0.86 -1.10 5.13 0.00 -0.92 -1.63 119.26 119.59 3h3v h ALA 48 Ca -0.41 -0.09 0.31 0.00 0.00 0.00 0.00 54.91 54.73 3h3v h ALA 48 Cb 1.62 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 3h3v h ALA 48 CO -0.11 -0.83 0.78 0.93 0.00 0.00 0.00 179.25 180.03 3h3v h GLU 49 N -0.50 0.04 0.00 0.00 4.39 -1.67 2.63 114.58 119.47 3h3v h GLU 49 Ca -0.04 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3h3v h GLU 49 Cb 0.31 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3h3v h GLU 49 CO 0.07 0.02 -0.21 1.25 -1.16 0.00 0.00 179.01 178.98 3h3v h LEU 50 N 0.04 0.00 -2.87 1.33 6.46 -1.54 -2.99 115.31 115.74 3h3v h LEU 50 Ca 0.53 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 58.08 3h3v h LEU 50 Cb 2.05 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 41.85 3h3v h LEU 50 CO -0.03 0.21 0.27 -0.11 -0.62 0.00 0.00 178.44 178.16 3h3v n LEU 51 N -3.28 4.60 -0.06 2.25 7.94 0.88 -3.80 117.00 125.53 3h3v n LEU 51 Ca 0.01 -2.40 -0.12 0.00 -1.11 0.00 0.00 56.01 52.39 3h3v n LEU 51 Cb 0.48 -0.66 -0.04 0.00 0.53 0.00 0.00 43.42 43.74 3h3v n LEU 51 CO 0.34 0.71 -0.75 0.59 -1.11 0.00 0.00 177.39 177.17 3h3v n ASN 52 N -0.21 1.36 -4.45 1.96 4.13 -1.13 -4.89 115.26 112.04 3h3v n ASN 52 Ca 0.27 0.22 -0.46 0.00 1.68 0.00 0.00 54.58 56.29 3h3v n ASN 52 Cb 1.02 -0.52 -0.10 0.00 -1.54 0.00 0.00 39.78 38.63 3h3v n ASN 52 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3h3v n ASP 53 N -3.89 1.17 -0.05 6.41 -0.08 -1.25 -4.68 116.55 114.19 3h3v n ASP 53 Ca -0.21 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3h3v n ASP 53 Cb 0.53 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.87 3h3v n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3h3v n ARG 54 N 8.33 0.57 0.00 -0.67 1.74 -1.26 -1.21 116.66 124.16 3h3v n ARG 54 Ca 0.53 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.72 3h3v n ARG 54 Cb 0.15 -1.03 0.11 0.00 -1.02 0.00 0.00 32.46 30.68 3h3v n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3h3v n LYS 55 N -0.43 0.04 -2.97 5.56 4.76 -1.26 -4.79 118.16 119.06 3h3v n LYS 55 Ca 0.00 -0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 54.98 3h3v n LYS 55 Cb 0.01 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.66 3h3v n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3h3v s VAL 56 N -2.98 4.56 0.37 -0.18 1.01 -0.35 -2.03 120.40 120.80 3h3v s VAL 56 Ca 0.10 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3h3v s VAL 56 Cb 0.17 -4.53 0.27 0.00 0.00 0.00 0.00 36.38 32.29 3h3v s VAL 56 CO 0.76 -1.18 2.02 -0.07 0.00 0.00 0.00 175.10 176.63 3h3v h LEU 57 N 10.63 0.65 -7.00 3.92 3.38 -0.96 -3.45 115.31 122.48 3h3v h LEU 57 Ca -0.28 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.70 3h3v h LEU 57 Cb 1.08 -0.16 -0.23 0.00 0.09 0.00 0.00 40.66 41.44 3h3v h LEU 57 CO 1.10 0.47 0.37 0.12 0.09 0.00 0.00 178.44 180.58 3h3v s PHE 58 N -5.66 -0.55 -0.29 1.13 5.36 -0.00 -4.97 117.98 113.00 3h3v s PHE 58 Ca -0.09 1.22 -0.13 0.00 -0.96 0.00 0.00 56.93 56.96 3h3v s PHE 58 Cb 0.18 0.37 0.13 0.00 -0.34 0.00 0.00 43.02 43.35 3h3v s PHE 58 CO 0.76 -0.34 0.79 0.00 -1.46 0.00 0.00 175.22 174.97 3h3v s ALA 59 N -0.20 -2.22 0.22 11.12 0.00 -1.25 0.15 121.76 129.57 3h3v s ALA 59 Ca -0.00 2.27 -0.03 0.00 0.00 0.00 0.00 51.96 54.19 3h3v s ALA 59 Cb -0.03 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 3h3v s ALA 59 CO -0.01 -0.75 0.22 0.00 0.00 0.00 0.00 175.76 175.23 3h3v s ALA 60 N 2.32 0.89 0.27 0.00 0.00 -1.00 -4.95 121.76 119.29 3h3v s ALA 60 Ca -0.06 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 3h3v s ALA 60 Cb -0.08 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.36 3h3v s ALA 60 CO -0.18 -0.66 0.36 2.48 0.00 0.00 0.00 175.76 177.76 3h3v n TYR 61 N -0.32 -1.15 0.00 0.00 -0.00 -1.26 -0.38 117.16 114.05 3h3v n TYR 61 Ca 0.02 -1.84 0.00 0.00 -0.00 0.00 0.00 57.90 56.08 3h3v n TYR 61 Cb 0.65 0.40 0.00 0.00 -0.00 0.00 0.00 39.34 40.39 3h3v n TYR 61 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 3h3v n LYS 62 N -0.45 0.00 -3.18 -3.48 2.85 -0.24 -4.94 118.16 108.71 3h3v n LYS 62 Ca 0.01 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.88 3h3v n LYS 62 Cb 0.45 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.77 3h3v n LYS 62 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3h3v s VAL 63 N -2.00 5.07 0.18 0.58 -7.23 -1.26 -1.15 120.40 114.58 3h3v s VAL 63 Ca 0.00 1.09 -0.13 0.00 -1.81 0.00 0.00 61.98 61.13 3h3v s VAL 63 Cb 0.00 -3.90 0.08 0.00 0.56 0.00 0.00 36.38 33.12 3h3v s VAL 63 CO 0.00 0.16 1.79 -0.33 -0.31 0.00 0.00 175.10 176.41 3h3v h GLU 64 N 7.37 0.82 -0.81 4.82 4.39 -1.88 -3.45 114.58 125.84 3h3v h GLU 64 Ca -0.34 -0.10 0.21 0.00 0.34 0.00 0.00 59.36 59.48 3h3v h GLU 64 Cb 1.15 -0.16 -0.30 0.00 -0.10 0.00 0.00 28.75 29.34 3h3v h GLU 64 CO 0.76 0.63 0.62 -1.58 -1.16 0.00 0.00 179.01 178.28 3h3v s HIS 65 N -5.86 -0.15 0.19 4.33 5.04 -1.26 -5.07 115.29 112.51 3h3v s HIS 65 Ca -0.13 0.28 0.11 0.00 -1.54 0.00 0.00 55.06 53.78 3h3v s HIS 65 Cb 0.13 0.09 0.69 0.00 0.04 0.00 0.00 32.58 33.53 3h3v s HIS 65 CO 0.77 -0.07 0.80 -0.35 -2.34 0.00 0.00 174.74 173.55 3h3v n PRO 66 N 3.70 -0.03 -0.19 2.88 -0.04 -1.26 -1.41 135.00 138.65 3h3v n PRO 66 Ca -0.13 0.70 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 3h3v n PRO 66 Cb 0.56 -1.26 0.41 0.00 -0.04 0.00 0.00 33.50 33.17 3h3v n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3h3v h PHE 67 N 0.00 0.68 -3.37 0.54 0.05 -2.01 -3.41 116.94 109.42 3h3v h PHE 67 Ca 0.43 0.02 -0.66 0.00 3.82 0.00 0.00 57.97 61.58 3h3v h PHE 67 Cb 1.15 -0.22 -0.18 0.00 2.00 0.00 0.00 35.95 38.70 3h3v h PHE 67 CO -0.01 0.30 -0.65 -0.06 -0.18 0.00 0.00 178.31 177.72 3h3v s PHE 68 N -5.58 3.07 -0.58 -0.55 2.99 -0.50 -5.06 117.98 111.77 3h3v s PHE 68 Ca -0.09 -0.05 -0.24 0.00 0.00 0.00 0.00 56.93 56.55 3h3v s PHE 68 Cb 0.21 -1.87 0.05 0.00 0.00 0.00 0.00 43.02 41.40 3h3v s PHE 68 CO 0.77 0.21 0.95 0.00 -0.00 0.00 0.00 175.22 177.15 3h3v s ALA 69 N -0.26 3.14 0.00 5.36 0.00 -1.26 -4.68 121.76 124.06 3h3v s ALA 69 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3h3v s ALA 69 Cb -0.13 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3h3v s ALA 69 CO 0.02 -2.49 0.00 2.89 0.00 0.00 0.00 175.76 176.18 3h3v n ARG 70 N 7.54 0.00 -3.81 0.00 1.85 -0.88 -1.89 116.66 119.46 3h3v n ARG 70 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 3h3v n ARG 70 Cb 0.47 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.78 3h3v n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3h3v s PHE 71 N -2.00 -0.11 -0.11 2.89 -0.12 -0.81 -3.95 117.98 113.78 3h3v s PHE 71 Ca 0.00 0.19 -0.10 0.00 -0.05 0.00 0.00 56.93 56.98 3h3v s PHE 71 Cb 0.00 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.38 3h3v s PHE 71 CO 0.00 -0.28 0.21 0.15 -0.05 0.00 0.00 175.22 175.25 3h3v s LYS 72 N -0.98 3.73 -0.17 1.99 1.02 -0.30 -0.96 119.74 124.06 3h3v s LYS 72 Ca -0.11 -0.00 0.01 0.00 0.02 0.00 0.00 55.97 55.89 3h3v s LYS 72 Cb -0.05 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 3h3v s LYS 72 CO 0.02 0.63 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.73 3h3v s LEU 73 N -0.68 2.26 -0.31 3.17 2.96 0.89 -1.08 118.68 125.88 3h3v s LEU 73 Ca 0.16 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 3h3v s LEU 73 Cb -0.13 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.07 3h3v s LEU 73 CO 0.05 0.03 0.09 -0.60 -1.32 0.00 0.00 176.35 174.61 3h3v s ARG 74 N 1.11 3.00 -0.17 1.98 3.52 0.49 0.47 118.95 129.35 3h3v s ARG 74 Ca 0.00 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 54.68 3h3v s ARG 74 Cb -0.14 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 3h3v s ARG 74 CO -0.07 -0.49 -0.17 0.42 -0.81 0.00 0.00 175.30 174.18 3h3v s ILE 75 N 1.49 2.41 0.00 4.11 1.01 0.82 -2.37 121.20 128.67 3h3v s ILE 75 Ca 0.02 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.90 3h3v s ILE 75 Cb -0.18 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 3h3v s ILE 75 CO 0.03 0.52 -0.22 -1.58 0.00 0.00 0.00 174.94 173.68 3h3v s GLN 76 N 1.12 1.71 0.07 2.79 0.74 0.38 -1.15 119.66 125.32 3h3v s GLN 76 Ca 0.00 -0.86 0.01 0.00 0.05 0.00 0.00 55.36 54.57 3h3v s GLN 76 Cb -0.14 -1.72 -0.00 0.00 1.10 0.00 0.00 33.01 32.25 3h3v s GLN 76 CO -0.06 0.46 0.04 0.25 -0.55 0.00 0.00 175.29 175.43 3h3v n THR 77 N 2.31 0.00 -3.01 -0.34 -2.24 -1.26 -0.39 114.28 109.35 3h3v n THR 77 Ca -0.16 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 3h3v n THR 77 Cb 0.52 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 3h3v n THR 77 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h3v s THR 78 N -2.09 5.00 0.26 4.28 -4.23 -0.86 -4.58 115.64 113.42 3h3v s THR 78 Ca 0.06 1.47 -0.26 0.00 -1.18 0.00 0.00 61.69 61.78 3h3v s THR 78 Cb 0.00 -4.06 -0.16 0.00 1.34 0.00 0.00 72.50 69.62 3h3v s THR 78 CO 0.04 0.18 0.47 1.21 -0.54 0.00 0.00 174.62 175.99 3h3v n GLU 79 N 4.25 0.14 -0.49 3.99 2.13 -1.26 -3.00 120.64 126.40 3h3v n GLU 79 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3h3v n GLU 79 Cb 0.51 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 31.12 3h3v n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h3v n GLY 80 N 1.99 0.73 2.75 8.31 0.00 -1.26 -5.02 105.19 112.69 3h3v n GLY 80 Ca 0.16 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 3h3v n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h3v s TYR 81 N -2.00 -0.43 -0.07 1.61 6.04 -1.16 -5.12 117.35 116.22 3h3v s TYR 81 Ca 0.00 -0.23 -0.29 0.00 0.04 0.00 0.00 57.07 56.59 3h3v s TYR 81 Cb 0.00 -0.48 -0.06 0.00 -1.04 0.00 0.00 41.96 40.38 3h3v s TYR 81 CO 0.00 -0.92 1.83 0.34 -1.54 0.00 0.00 175.55 175.26 3h3v s ASP 82 N 2.31 6.39 0.61 4.32 -1.08 -1.26 -4.67 116.67 123.29 3h3v s ASP 82 Ca 0.10 2.25 0.31 0.00 -0.52 0.00 0.00 52.55 54.69 3h3v s ASP 82 Cb -0.14 -2.53 1.73 0.00 -1.46 0.00 0.00 42.92 40.52 3h3v s ASP 82 CO -0.32 -1.15 2.09 1.55 0.52 0.00 0.00 175.17 177.86 3h3v h PRO 83 N 10.79 0.00 -1.00 4.34 0.13 -1.96 0.30 132.00 144.59 3h3v h PRO 83 Ca -0.42 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.87 3h3v h PRO 83 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 3h3v h PRO 83 CO 0.96 0.00 0.62 0.87 -0.23 0.00 0.00 178.00 180.22 3h3v h LYS 84 N 0.00 0.84 0.20 0.86 1.57 -1.94 0.33 116.57 118.44 3h3v h LYS 84 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3h3v h LYS 84 Cb 0.50 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3h3v h LYS 84 CO -0.00 0.55 -0.10 -0.44 -0.57 0.00 0.00 179.45 178.90 3h3v h ASP 85 N 0.86 -0.23 -1.23 0.86 3.32 -0.79 -2.42 116.42 116.80 3h3v h ASP 85 Ca 0.54 -0.25 0.37 0.00 0.02 0.00 0.00 57.03 57.71 3h3v h ASP 85 Cb 0.72 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.22 3h3v h ASP 85 CO -0.32 0.16 0.81 0.00 -1.72 0.00 0.00 179.24 178.16 3h3v h ALA 86 N 0.02 2.64 0.25 3.45 0.00 -0.73 0.89 119.26 125.78 3h3v h ALA 86 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h3v h ALA 86 Cb 0.47 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h3v h ALA 86 CO 0.05 -1.15 -0.12 1.25 0.00 0.00 0.00 179.25 179.27 3h3v h LEU 87 N 0.19 -0.29 -0.16 0.00 5.85 -0.20 -1.46 115.31 119.24 3h3v h LEU 87 Ca 0.71 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 59.23 3h3v h LEU 87 Cb 2.20 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 43.28 3h3v h LEU 87 CO -0.31 0.09 -0.09 0.29 -0.34 0.00 0.00 178.44 178.08 3h3v n LYS 88 N -5.08 -0.07 -0.05 1.25 5.02 0.30 -1.35 118.16 118.17 3h3v n LYS 88 Ca -0.09 1.06 -0.09 0.00 -2.02 0.00 0.00 58.31 57.16 3h3v n LYS 88 Cb 0.25 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3h3v n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3h3v h ASN 89 N 0.00 -1.06 -0.87 4.39 2.35 -1.45 0.53 115.58 119.47 3h3v h ASN 89 Ca 0.02 0.17 0.31 0.00 -0.55 0.00 0.00 56.30 56.25 3h3v h ASN 89 Cb 0.06 0.47 -0.16 0.00 0.05 0.00 0.00 38.32 38.75 3h3v h ASN 89 CO -0.15 -0.35 0.27 0.00 -1.65 0.00 0.00 177.43 175.55 3h3v n ALA 90 N -2.92 0.69 0.07 -0.83 0.00 -0.46 0.17 120.51 117.24 3h3v n ALA 90 Ca -0.01 0.91 -0.08 0.00 0.00 0.00 0.00 53.44 54.25 3h3v n ALA 90 Cb 0.33 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 3h3v n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3v h ASN 92 N -0.98 -1.23 -0.98 0.00 2.35 0.88 0.69 115.58 116.31 3h3v h ASN 92 Ca -0.03 0.21 0.32 0.00 -0.55 0.00 0.00 56.30 56.26 3h3v h ASN 92 Cb 0.43 0.57 -0.16 0.00 0.05 0.00 0.00 38.32 39.21 3h3v h ASN 92 CO 0.05 -0.33 0.44 -1.28 -1.65 0.00 0.00 177.43 174.65 3h3v h SER 93 N -0.25 0.27 -0.08 5.81 0.87 0.16 0.31 113.55 120.63 3h3v h SER 93 Ca 0.18 0.22 -0.23 0.00 -1.23 0.00 0.00 61.79 60.73 3h3v h SER 93 Cb 0.56 0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.76 3h3v h SER 93 CO -0.59 -0.24 -0.83 0.40 -0.53 0.00 0.00 176.83 175.04 3h3v h ILE 94 N 0.19 1.30 0.35 2.23 2.04 0.40 -2.06 117.51 121.95 3h3v h ILE 94 Ca 0.71 -2.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 3h3v h ILE 94 Cb 1.66 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 3h3v h ILE 94 CO -0.69 0.64 -0.17 0.40 0.00 0.00 0.00 178.15 178.34 3h3v h ILE 95 N 0.39 0.67 -0.60 -0.67 2.04 0.25 -0.02 117.51 119.57 3h3v h ILE 95 Ca -0.08 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.80 3h3v h ILE 95 Cb 1.48 0.73 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 3h3v h ILE 95 CO 0.17 0.02 -0.03 0.78 0.00 0.00 0.00 178.15 179.09 3h3v h ASN 96 N -0.52 -0.32 -0.32 1.72 2.35 -0.60 0.84 115.58 118.72 3h3v h ASN 96 Ca -0.05 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3h3v h ASN 96 Cb 0.39 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3h3v h ASN 96 CO 0.08 -0.13 0.20 0.11 -1.65 0.00 0.00 177.43 176.05 3h3v h LYS 97 N 0.09 0.43 -0.69 0.81 1.57 -1.07 -1.21 116.57 116.51 3h3v h LYS 97 Ca 0.31 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3h3v h LYS 97 Cb 0.50 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3h3v h LYS 97 CO -0.53 0.31 0.31 -0.07 -0.57 0.00 0.00 179.45 178.90 3h3v h LEU 98 N 0.43 0.92 -1.52 2.94 3.38 0.63 -0.74 115.31 121.35 3h3v h LEU 98 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h3v h LEU 98 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3h3v h LEU 98 CO -0.02 0.81 0.21 1.23 0.09 0.00 0.00 178.44 180.76 3h3v h GLY 99 N 0.96 0.57 0.37 0.83 0.00 0.96 0.64 103.07 107.39 3h3v h GLY 99 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3h3v h GLY 99 CO -0.03 0.23 -0.11 0.00 0.00 0.00 0.00 176.54 176.64 3h3v h ALA 100 N 1.69 -0.30 -0.14 3.60 0.00 -0.77 -2.95 119.26 120.40 3h3v h ALA 100 Ca 0.14 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3h3v h ALA 100 Cb 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h3v h ALA 100 CO -0.02 -0.35 0.20 1.25 0.00 0.00 0.00 179.25 180.33 3h3v h LEU 101 N -0.93 0.00 -0.02 0.00 6.46 -0.63 0.25 115.31 120.44 3h3v h LEU 101 Ca -0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 3h3v h LEU 101 Cb 0.49 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 3h3v h LEU 101 CO 0.05 0.00 -0.03 0.07 -0.62 0.00 0.00 178.44 177.91 3h3v h LYS 102 N 0.00 0.06 0.44 1.25 2.10 0.28 -2.83 116.57 117.87 3h3v h LYS 102 Ca 0.07 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 3h3v h LYS 102 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 3h3v h LYS 102 CO -0.00 0.56 -0.21 1.15 -2.00 0.00 0.00 179.45 178.95 3h3v h THR 103 N -0.44 0.50 0.00 0.07 2.02 -0.84 -2.20 112.91 112.02 3h3v h THR 103 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3h3v h THR 103 Cb 0.55 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3h3v h THR 103 CO 0.01 0.07 0.07 0.59 0.37 0.00 0.00 175.52 176.62 3h3v n ASN 104 N -5.24 0.06 -0.08 4.18 4.13 0.70 -0.30 115.26 118.70 3h3v n ASN 104 Ca -0.11 0.47 -0.12 0.00 1.68 0.00 0.00 54.58 56.50 3h3v n ASN 104 Cb 0.30 -0.47 -0.15 0.00 -1.54 0.00 0.00 39.78 37.92 3h3v n ASN 104 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3h3v n PHE 105 N -1.53 0.26 0.16 3.10 7.35 -1.07 -3.90 117.46 121.83 3h3v n PHE 105 Ca -0.00 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 3h3v n PHE 105 Cb 0.07 -1.04 0.24 0.00 0.35 0.00 0.00 39.48 39.10 3h3v n PHE 105 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3h3v h GLU 106 N 0.00 0.00 0.00 -4.13 5.08 -0.02 -2.46 114.58 113.06 3h3v h GLU 106 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3h3v h GLU 106 Cb 2.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.37 3h3v h GLU 106 CO 0.02 0.52 0.00 2.41 -1.00 0.00 0.00 179.01 180.96 3h3v n THR 107 N -3.90 0.00 -0.17 1.13 -1.04 -0.26 -2.18 114.28 107.86 3h3v n THR 107 Ca -0.01 1.33 0.29 0.00 -2.04 0.00 0.00 64.05 63.62 3h3v n THR 107 Cb 0.54 -2.33 0.70 0.00 -1.82 0.00 0.00 70.33 67.42 3h3v n THR 107 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h3v h GLU 108 N 0.00 0.00 -0.07 -2.82 4.39 -1.68 -1.49 114.58 112.92 3h3v h GLU 108 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3h3v h GLU 108 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3h3v h GLU 108 CO 0.00 0.00 -0.18 2.35 -1.16 0.00 0.00 179.01 180.02 3h3v h TRP 109 N 0.00 0.31 -0.45 4.33 2.91 -1.34 -3.26 115.95 118.46 3h3v h TRP 109 Ca 0.43 -0.12 0.08 0.00 1.13 0.00 0.00 58.89 60.41 3h3v h TRP 109 Cb 1.97 -0.05 -0.07 0.00 -0.51 0.00 0.00 29.16 30.50 3h3v h TRP 109 CO 0.00 0.79 -0.01 -0.91 -1.03 0.00 0.00 178.44 177.28 3h3v h ASN 110 N -0.26 -0.21 0.00 2.65 2.35 -0.77 -2.24 115.58 117.10 3h3v h ASN 110 Ca -0.00 0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 3h3v h ASN 110 Cb 0.79 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.31 3h3v h ASN 110 CO 0.04 -0.07 -0.07 0.18 -1.65 0.00 0.00 177.43 175.86 3h3v n LEU 111 N -5.22 3.38 -4.00 1.61 4.77 -1.17 -4.80 117.00 111.57 3h3v n LEU 111 Ca 0.04 -2.22 -0.12 0.00 -0.03 0.00 0.00 56.01 53.67 3h3v n LEU 111 Cb 0.24 -0.91 -0.12 0.00 -2.33 0.00 0.00 43.42 40.29 3h3v n LEU 111 CO 0.17 0.92 -0.39 -1.10 -1.33 0.00 0.00 177.39 175.66 3h3v s GLN 112 N 1.70 0.40 -0.00 3.23 -1.52 -0.85 -4.99 119.66 117.63 3h3v s GLN 112 Ca 0.43 -0.54 0.05 0.00 -1.95 0.00 0.00 55.36 53.35 3h3v s GLN 112 Cb 0.20 -0.19 -0.01 0.00 -0.22 0.00 0.00 33.01 32.79 3h3v s GLN 112 CO 0.00 0.03 -0.15 0.99 -0.25 0.00 0.00 175.29 175.91 3h3v s THR 113 N -1.02 1.20 0.00 -0.19 2.01 -1.26 -5.10 115.64 111.28 3h3v s THR 113 Ca -0.08 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3h3v s THR 113 Cb -0.07 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.42 3h3v s THR 113 CO -0.00 0.28 0.00 -0.11 -0.69 0.00 0.00 174.62 174.09