#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4o n ASN 2 N 0.00 1.15 -4.73 6.12 3.02 -1.26 -5.01 115.26 114.56 3m4o n ASN 2 Ca 0.00 -1.07 -0.42 0.00 -0.03 0.00 0.00 54.58 53.06 3m4o n ASN 2 Cb 0.00 0.90 -0.01 0.00 -0.61 0.00 0.00 39.78 40.06 3m4o n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m4o n ALA 3 N -1.26 1.87 -2.15 5.41 0.00 -1.26 -5.01 120.51 118.12 3m4o n ALA 3 Ca 0.05 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.60 3m4o n ALA 3 Cb 0.35 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.48 3m4o n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3m4o s PRO 4 N -1.52 2.94 0.80 0.00 0.04 -1.26 -5.05 135.00 130.95 3m4o s PRO 4 Ca 0.58 -0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 3m4o s PRO 4 Cb -0.53 -2.37 0.07 0.00 0.04 0.00 0.00 34.50 31.71 3m4o s PRO 4 CO 0.59 -0.57 1.09 -0.51 0.04 0.00 0.00 177.00 177.64 3m4o s ASP 5 N -4.29 4.26 0.16 6.66 1.01 -1.26 -4.95 116.67 118.26 3m4o s ASP 5 Ca 0.52 1.78 0.03 0.00 0.71 0.00 0.00 52.55 55.59 3m4o s ASP 5 Cb -0.10 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3m4o s ASP 5 CO 0.42 -2.19 1.36 0.03 0.21 0.00 0.00 175.17 175.01 3m4o h ARG 6 N -1.23 0.16 0.00 8.23 2.47 -2.04 -3.21 114.38 118.76 3m4o h ARG 6 Ca -0.45 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.09 3m4o h ARG 6 Cb 1.24 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 3m4o h ARG 6 CO 0.51 0.96 0.00 1.97 0.56 0.00 0.00 179.97 183.97 3m4o n PHE 7 N -3.62 0.00 1.87 3.04 1.16 -1.26 -1.11 117.46 117.54 3m4o n PHE 7 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 3m4o n PHE 7 Cb 0.83 -0.24 0.00 0.00 -1.61 0.00 0.00 39.48 38.46 3m4o n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3m4o n GLU 8 N -1.24 0.97 0.00 3.97 1.02 -1.21 -2.35 120.64 121.81 3m4o n GLU 8 Ca 0.01 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.26 3m4o n GLU 8 Cb 0.01 -1.04 0.06 0.00 -0.02 0.00 0.00 31.44 30.44 3m4o n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3m4o n LEU 9 N -0.46 2.57 0.00 -4.62 4.77 -0.26 -4.62 117.00 114.38 3m4o n LEU 9 Ca 0.00 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 3m4o n LEU 9 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3m4o n LEU 9 CO 0.00 0.45 0.00 2.22 -1.33 0.00 0.00 177.39 178.73 3m4o n PHE 10 N 0.77 0.00 -3.77 -1.77 1.16 -1.24 -4.41 117.46 108.19 3m4o n PHE 10 Ca 0.12 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.34 3m4o n PHE 10 Cb 0.53 0.02 -0.09 0.00 -1.61 0.00 0.00 39.48 38.33 3m4o n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3m4o s LEU 11 N 0.00 4.05 0.31 5.98 1.02 -0.99 -4.99 118.68 124.05 3m4o s LEU 11 Ca 0.00 0.13 -0.26 0.00 0.02 0.00 0.00 54.13 54.03 3m4o s LEU 11 Cb 0.00 -2.06 -0.10 0.00 0.02 0.00 0.00 46.19 44.06 3m4o s LEU 11 CO 0.00 0.13 0.92 -0.76 0.02 0.00 0.00 176.35 176.66 3m4o s LEU 12 N 0.66 4.36 0.00 1.79 1.02 -1.26 -4.64 118.68 120.61 3m4o s LEU 12 Ca 0.07 1.80 0.00 0.00 0.02 0.00 0.00 54.13 56.01 3m4o s LEU 12 Cb -0.12 -3.94 0.00 0.00 0.02 0.00 0.00 46.19 42.15 3m4o s LEU 12 CO 0.01 -0.04 0.00 0.61 0.02 0.00 0.00 176.35 176.95 3m4o n GLY 13 N 0.64 1.01 3.53 -3.19 0.00 -1.26 -4.99 105.19 100.93 3m4o n GLY 13 Ca 0.01 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 3m4o n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m4o s GLU 14 N 1.01 3.35 0.00 1.61 2.02 -1.26 -3.98 118.70 121.46 3m4o s GLU 14 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.66 3m4o s GLU 14 Cb 0.00 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.31 3m4o s GLU 14 CO 0.00 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.78 3m4o n GLY 15 N 4.97 3.44 3.70 -1.39 0.00 -1.26 -5.06 105.19 109.59 3m4o n GLY 15 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3m4o n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m4o s GLU 16 N -0.89 4.31 0.20 1.61 2.02 -1.26 -5.05 118.70 119.65 3m4o s GLU 16 Ca 0.00 1.99 0.05 0.00 0.02 0.00 0.00 54.97 57.04 3m4o s GLU 16 Cb 0.00 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 3m4o s GLU 16 CO 0.00 -0.49 0.20 -1.12 0.02 0.00 0.00 175.26 173.87 3m4o s SER 17 N 1.50 5.74 0.18 -0.19 0.01 -1.26 -4.71 113.70 114.97 3m4o s SER 17 Ca 0.64 -0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.66 3m4o s SER 17 Cb -0.33 -1.55 0.08 0.00 0.21 0.00 0.00 66.02 64.43 3m4o s SER 17 CO 0.28 0.01 1.84 0.50 0.41 0.00 0.00 173.24 176.29 3m4o h LYS 18 N 1.92 0.74 -5.19 12.44 3.11 -1.96 -3.39 116.57 124.24 3m4o h LYS 18 Ca -0.49 -0.05 -0.45 0.00 -2.81 0.00 0.00 60.65 56.86 3m4o h LYS 18 Cb 1.22 -0.17 -0.27 0.00 -1.00 0.00 0.00 32.23 32.01 3m4o h LYS 18 CO 0.63 0.49 -0.80 -0.51 -2.81 0.00 0.00 179.45 176.45 3m4o s LEU 19 N -10.15 2.09 -0.01 5.20 1.43 -1.26 -2.12 118.68 113.87 3m4o s LEU 19 Ca -0.13 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3m4o s LEU 19 Cb 0.13 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 3m4o s LEU 19 CO 0.75 0.10 0.03 -0.75 0.23 0.00 0.00 176.35 176.70 3m4o s LYS 20 N -0.67 2.88 -0.10 1.70 2.20 -1.16 -5.00 119.74 119.58 3m4o s LYS 20 Ca 0.03 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 3m4o s LYS 20 Cb -0.06 -2.73 -0.00 0.00 -1.51 0.00 0.00 37.83 33.52 3m4o s LYS 20 CO 0.00 0.63 -0.22 0.42 -0.36 0.00 0.00 175.35 175.83 3m4o s ILE 21 N -1.11 2.29 0.17 5.43 1.01 -1.26 -1.66 121.20 126.06 3m4o s ILE 21 Ca 0.20 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.98 3m4o s ILE 21 Cb -0.12 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3m4o s ILE 21 CO 0.11 0.55 -0.14 -1.81 0.00 0.00 0.00 174.94 173.66 3m4o s ASP 22 N 0.27 2.26 -0.10 3.58 1.01 -1.20 -5.00 116.67 117.48 3m4o s ASP 22 Ca -0.15 -0.94 -0.24 0.00 0.71 0.00 0.00 52.55 51.92 3m4o s ASP 22 Cb -0.17 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 3m4o s ASP 22 CO 0.08 -0.18 0.74 -2.16 0.21 0.00 0.00 175.17 173.86 3m4o s PRO 23 N -3.31 4.39 -0.42 8.23 0.05 -1.26 -2.49 135.00 140.18 3m4o s PRO 23 Ca 0.17 0.92 -0.29 0.00 0.05 0.00 0.00 61.00 61.85 3m4o s PRO 23 Cb -0.02 -3.49 0.02 0.00 0.05 0.00 0.00 34.50 31.06 3m4o s PRO 23 CO 0.04 -0.07 1.25 0.34 0.05 0.00 0.00 177.00 178.61 3m4o s ASP 24 N 0.94 6.56 0.58 6.66 -1.08 -0.33 -4.89 116.67 125.10 3m4o s ASP 24 Ca 0.38 0.74 0.37 0.00 -0.52 0.00 0.00 52.55 53.52 3m4o s ASP 24 Cb -0.17 -2.54 1.72 0.00 -1.46 0.00 0.00 42.92 40.46 3m4o s ASP 24 CO 0.17 -1.26 2.10 0.71 0.52 0.00 0.00 175.17 177.41 3m4o h THR 25 N 6.24 0.00 0.21 1.71 1.35 -1.95 -3.31 112.91 117.16 3m4o h THR 25 Ca -0.25 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.28 3m4o h THR 25 Cb 1.08 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3m4o h THR 25 CO 1.09 0.00 -0.10 0.11 -0.25 0.00 0.00 175.52 176.37 3m4o h LYS 26 N 0.00 -0.27 -6.84 4.72 1.79 -1.96 -3.47 116.57 110.55 3m4o h LYS 26 Ca 0.00 0.02 -0.44 0.00 -2.18 0.00 0.00 60.65 58.05 3m4o h LYS 26 Cb 0.33 0.06 0.05 0.00 -1.58 0.00 0.00 32.23 31.09 3m4o h LYS 26 CO 0.00 -0.18 -0.03 0.00 -1.08 0.00 0.00 179.45 178.16 3m4o s ALA 27 N -3.55 3.96 0.13 3.86 0.00 -1.25 -5.12 121.76 119.80 3m4o s ALA 27 Ca -0.04 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.49 3m4o s ALA 27 Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3m4o s ALA 27 CO 0.12 -0.83 0.25 -1.25 0.00 0.00 0.00 175.76 174.05 3m4o s PRO 28 N -4.79 3.37 -1.13 0.00 0.04 -1.26 -4.49 135.00 126.74 3m4o s PRO 28 Ca 0.59 -0.60 -0.05 0.00 0.04 0.00 0.00 61.00 60.97 3m4o s PRO 28 Cb -0.09 -2.94 0.01 0.00 0.04 0.00 0.00 34.50 31.51 3m4o s PRO 28 CO 0.39 0.53 0.97 -1.71 0.04 0.00 0.00 177.00 177.23 3m4o n ASN 29 N -0.35 -4.70 -3.86 6.66 2.85 -1.26 -4.88 115.26 109.71 3m4o n ASN 29 Ca -0.07 -0.48 -0.17 0.00 -0.11 0.00 0.00 54.58 53.75 3m4o n ASN 29 Cb 0.53 -4.41 -0.16 0.00 1.24 0.00 0.00 39.78 36.99 3m4o n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3m4o s ALA 30 N -3.28 0.36 -0.02 5.20 0.00 -1.26 -2.85 121.76 119.90 3m4o s ALA 30 Ca 0.36 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.40 3m4o s ALA 30 Cb -0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 3m4o s ALA 30 CO 0.63 -0.02 -0.09 0.08 0.00 0.00 0.00 175.76 176.36 3m4o s VAL 31 N 0.70 0.75 -0.47 0.00 1.01 -0.47 -1.19 120.40 120.72 3m4o s VAL 31 Ca -0.07 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3m4o s VAL 31 Cb -0.10 -0.65 0.12 0.00 0.00 0.00 0.00 36.38 35.75 3m4o s VAL 31 CO -0.01 0.22 0.20 0.54 0.00 0.00 0.00 175.10 176.06 3m4o s VAL 32 N 0.01 2.54 -0.37 2.92 0.11 -1.04 -1.39 120.40 123.18 3m4o s VAL 32 Ca -0.00 -3.03 -0.23 0.00 -2.93 0.00 0.00 61.98 55.78 3m4o s VAL 32 Cb -0.06 -2.79 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 3m4o s VAL 32 CO 0.00 -0.74 0.78 -0.63 -3.33 0.00 0.00 175.10 171.18 3m4o s ILE 33 N 0.06 4.72 0.58 7.04 1.01 0.13 -3.26 121.20 131.49 3m4o s ILE 33 Ca 0.15 0.85 -0.15 0.00 0.00 0.00 0.00 60.65 61.49 3m4o s ILE 33 Cb -0.24 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 3m4o s ILE 33 CO -0.02 -0.46 1.03 -0.89 0.00 0.00 0.00 174.94 174.60 3m4o s THR 34 N 3.12 4.09 -0.40 2.92 2.01 -0.67 -1.28 115.64 125.44 3m4o s THR 34 Ca 0.31 0.95 0.08 0.00 0.31 0.00 0.00 61.69 63.35 3m4o s THR 34 Cb -0.13 -3.51 0.26 0.00 0.01 0.00 0.00 72.50 69.13 3m4o s THR 34 CO 0.17 -0.62 0.60 0.49 -0.69 0.00 0.00 174.62 174.57 3m4o n PHE 35 N -2.02 -0.65 -1.66 4.92 3.01 -0.92 -2.99 117.46 117.14 3m4o n PHE 35 Ca 0.08 -3.38 -0.46 0.00 1.01 0.00 0.00 57.45 54.70 3m4o n PHE 35 Cb 0.53 -0.12 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 3m4o n PHE 35 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3m4o n GLU 36 N 1.25 1.96 -2.93 -1.08 -0.58 -0.90 -3.61 120.64 114.75 3m4o n GLU 36 Ca 0.20 0.70 -0.11 0.00 -0.42 0.00 0.00 57.16 57.53 3m4o n GLU 36 Cb 0.56 -2.37 0.05 0.00 -0.57 0.00 0.00 31.44 29.12 3m4o n GLU 36 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3m4o n LYS 37 N 2.32 -1.79 -3.82 3.49 4.76 -0.45 -4.78 118.16 117.89 3m4o n LYS 37 Ca 0.13 0.77 -0.06 0.00 -2.87 0.00 0.00 58.31 56.29 3m4o n LYS 37 Cb 0.30 -5.08 0.00 0.00 -1.84 0.00 0.00 35.03 28.41 3m4o n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3m4o s GLU 38 N -4.04 1.62 0.00 1.97 0.41 -1.24 -4.66 118.70 112.77 3m4o s GLU 38 Ca 0.34 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.93 3m4o s GLU 38 Cb -0.04 0.50 0.00 0.00 -1.78 0.00 0.00 34.13 32.81 3m4o s GLU 38 CO 0.61 -0.75 0.00 -0.40 -0.49 0.00 0.00 175.26 174.23 3m4o n ASP 39 N -0.87 0.00 -0.08 -0.19 5.68 -1.26 -2.11 116.55 117.71 3m4o n ASP 39 Ca -0.05 0.00 0.25 0.00 -0.50 0.00 0.00 54.79 54.49 3m4o n ASP 39 Cb 0.60 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.30 3m4o n ASP 39 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3m4o h HIS 40 N 0.00 0.00 -0.78 2.11 3.86 -1.96 -1.07 115.15 117.31 3m4o h HIS 40 Ca 0.00 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.39 3m4o h HIS 40 Cb 0.00 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.35 3m4o h HIS 40 CO 0.00 0.00 0.16 1.15 0.86 0.00 0.00 177.93 180.10 3m4o h THR 41 N 0.00 0.43 0.00 2.45 2.02 -2.00 -2.63 112.91 113.19 3m4o h THR 41 Ca 0.34 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.45 3m4o h THR 41 Cb 1.49 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3m4o h THR 41 CO -0.00 0.04 -0.66 -0.11 0.37 0.00 0.00 175.52 175.15 3m4o n LEU 42 N -5.21 1.36 -0.32 2.58 7.94 -0.49 -4.32 117.00 118.55 3m4o n LEU 42 Ca 0.16 0.23 0.01 0.00 -1.11 0.00 0.00 56.01 55.30 3m4o n LEU 42 Cb 0.52 -0.64 0.07 0.00 0.53 0.00 0.00 43.42 43.90 3m4o n LEU 42 CO 0.10 -0.36 0.52 0.61 -1.11 0.00 0.00 177.39 177.14 3m4o n GLY 43 N 1.64 -1.61 0.15 -3.96 0.00 -0.71 -1.17 105.19 99.53 3m4o n GLY 43 Ca -0.09 0.93 -0.07 0.00 0.00 0.00 0.00 46.02 46.78 3m4o n GLY 43 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3m4o h ASN 44 N 0.00 0.21 0.41 1.61 -1.24 -1.69 -2.47 115.58 112.41 3m4o h ASN 44 Ca 0.34 0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.22 3m4o h ASN 44 Cb 0.55 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 3m4o h ASN 44 CO -0.85 0.16 -0.65 0.25 -1.29 0.00 0.00 177.43 175.05 3m4o h LEU 45 N 0.32 0.26 -0.37 0.34 5.85 -1.32 -2.23 115.31 118.16 3m4o h LEU 45 Ca 0.14 -0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 3m4o h LEU 45 Cb 0.08 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3m4o h LEU 45 CO -0.12 0.83 -0.41 0.40 -0.34 0.00 0.00 178.44 178.81 3m4o h ILE 46 N 0.16 1.27 -0.70 4.05 5.03 -1.29 -2.14 117.51 123.89 3m4o h ILE 46 Ca -0.01 -1.59 -0.07 0.00 -0.12 0.00 0.00 64.86 63.07 3m4o h ILE 46 Cb 1.17 1.42 -0.03 0.00 -3.03 0.00 0.00 36.82 36.35 3m4o h ILE 46 CO 0.10 0.53 0.16 -0.09 -0.68 0.00 0.00 178.15 178.17 3m4o h ARG 47 N 0.75 1.13 0.00 2.37 2.43 -1.34 0.54 114.38 120.26 3m4o h ARG 47 Ca 0.05 -0.28 -0.12 0.00 -0.81 0.00 0.00 59.98 58.83 3m4o h ARG 47 Cb 1.01 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3m4o h ARG 47 CO 0.10 1.00 -0.57 0.00 -1.51 0.00 0.00 179.97 178.99 3m4o h ALA 48 N 1.08 0.85 0.11 2.80 0.00 -1.42 -3.19 119.26 119.48 3m4o h ALA 48 Ca 0.22 -0.52 -0.30 0.00 0.00 0.00 0.00 54.91 54.31 3m4o h ALA 48 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3m4o h ALA 48 CO 0.00 0.72 -1.48 0.93 0.00 0.00 0.00 179.25 179.43 3m4o h GLU 49 N 0.00 0.23 -0.33 0.00 4.39 -1.32 -3.30 114.58 114.25 3m4o h GLU 49 Ca -0.01 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3m4o h GLU 49 Cb 1.16 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3m4o h GLU 49 CO 0.07 1.09 0.00 1.28 -1.16 0.00 0.00 179.01 180.30 3m4o n LEU 50 N -3.44 0.26 0.00 1.33 4.77 0.19 -3.31 117.00 116.80 3m4o n LEU 50 Ca -0.15 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3m4o n LEU 50 Cb 1.04 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3m4o n LEU 50 CO 0.50 0.06 -0.42 -0.11 -1.33 0.00 0.00 177.39 176.10 3m4o n LEU 51 N 0.41 1.76 0.24 2.23 7.94 -1.24 -4.63 117.00 123.72 3m4o n LEU 51 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 3m4o n LEU 51 Cb 0.06 0.00 0.62 0.00 0.53 0.00 0.00 43.42 44.63 3m4o n LEU 51 CO 0.00 0.29 0.93 0.78 -1.11 0.00 0.00 177.39 178.28 3m4o h ASN 52 N 0.00 0.00 -0.94 1.96 2.35 -1.71 -3.40 115.58 113.84 3m4o h ASN 52 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 3m4o h ASN 52 Cb 0.84 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 3m4o h ASN 52 CO 0.00 0.16 1.28 -0.67 -1.65 0.00 0.00 177.43 176.55 3m4o n ASP 53 N -3.90 1.62 0.00 5.81 -0.08 -1.26 -4.82 116.55 113.92 3m4o n ASP 53 Ca -0.02 -0.66 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 3m4o n ASP 53 Cb 0.25 -1.43 0.01 0.00 2.34 0.00 0.00 41.12 42.30 3m4o n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3m4o n ARG 54 N 8.64 0.01 -0.97 -0.67 1.74 -1.26 -2.27 116.66 121.87 3m4o n ARG 54 Ca 0.46 0.30 -0.12 0.00 -0.77 0.00 0.00 57.85 57.73 3m4o n ARG 54 Cb 0.41 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.55 3m4o n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3m4o n LYS 55 N -1.31 2.06 -4.91 5.56 4.76 -1.26 -4.95 118.16 118.11 3m4o n LYS 55 Ca 0.00 -3.12 -0.28 0.00 -2.87 0.00 0.00 58.31 52.04 3m4o n LYS 55 Cb 0.00 -1.96 -0.17 0.00 -1.84 0.00 0.00 35.03 31.06 3m4o n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3m4o s VAL 56 N -3.26 1.60 -0.07 -0.18 1.01 -0.96 -3.30 120.40 115.23 3m4o s VAL 56 Ca 0.49 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 3m4o s VAL 56 Cb 0.43 -1.40 -0.29 0.00 0.00 0.00 0.00 36.38 35.12 3m4o s VAL 56 CO 0.04 0.46 0.62 -0.07 0.00 0.00 0.00 175.10 176.15 3m4o h LEU 57 N 6.79 0.53 -7.30 3.92 3.38 -1.08 -3.49 115.31 118.07 3m4o h LEU 57 Ca -0.25 -0.91 -0.14 0.00 0.09 0.00 0.00 57.88 56.66 3m4o h LEU 57 Cb 1.21 -0.17 -0.27 0.00 0.09 0.00 0.00 40.66 41.52 3m4o h LEU 57 CO 0.47 1.74 -0.34 0.12 0.09 0.00 0.00 178.44 180.52 3m4o s PHE 58 N -2.54 -0.47 -0.17 1.13 5.36 -0.06 -4.95 117.98 116.28 3m4o s PHE 58 Ca -0.18 1.06 -0.04 0.00 -0.96 0.00 0.00 56.93 56.81 3m4o s PHE 58 Cb 0.05 0.17 0.08 0.00 -0.34 0.00 0.00 43.02 42.98 3m4o s PHE 58 CO 0.82 -0.26 0.26 0.00 -1.46 0.00 0.00 175.22 174.58 3m4o s ALA 59 N 0.94 -0.52 0.03 11.12 0.00 -1.26 -0.74 121.76 131.34 3m4o s ALA 59 Ca -0.06 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 3m4o s ALA 59 Cb -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.87 3m4o s ALA 59 CO -0.07 -0.90 0.20 0.00 0.00 0.00 0.00 175.76 174.99 3m4o s ALA 60 N 2.40 -0.41 0.16 0.00 0.00 -0.49 -5.00 121.76 118.42 3m4o s ALA 60 Ca 0.04 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3m4o s ALA 60 Cb -0.14 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 3m4o s ALA 60 CO -0.10 -0.34 -0.09 1.52 0.00 0.00 0.00 175.76 176.75 3m4o s TYR 61 N -2.31 1.32 -0.30 0.00 -0.85 -1.26 -0.94 117.35 113.02 3m4o s TYR 61 Ca -0.07 -0.77 -0.11 0.00 -0.52 0.00 0.00 57.07 55.59 3m4o s TYR 61 Cb -0.02 -0.68 0.13 0.00 0.38 0.00 0.00 41.96 41.77 3m4o s TYR 61 CO -0.02 0.08 0.72 -1.59 -1.52 0.00 0.00 175.55 173.21 3m4o s LYS 62 N -3.76 0.53 -0.80 -3.49 -2.85 -0.56 -4.96 119.74 103.86 3m4o s LYS 62 Ca 0.18 1.31 -0.25 0.00 -1.00 0.00 0.00 55.97 56.21 3m4o s LYS 62 Cb 0.03 0.76 -0.00 0.00 -2.06 0.00 0.00 37.83 36.56 3m4o s LYS 62 CO 0.02 -0.18 1.68 0.14 0.10 0.00 0.00 175.35 177.11 3m4o s VAL 63 N 2.75 3.57 0.07 1.79 -7.23 -1.26 -1.85 120.40 118.24 3m4o s VAL 63 Ca -0.06 -0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 59.83 3m4o s VAL 63 Cb -0.11 -4.38 -0.06 0.00 0.56 0.00 0.00 36.38 32.39 3m4o s VAL 63 CO -0.19 -1.32 1.30 -0.33 -0.31 0.00 0.00 175.10 174.25 3m4o h GLU 64 N 11.87 -0.20 -4.30 4.82 4.39 -1.93 -3.39 114.58 125.85 3m4o h GLU 64 Ca -0.07 0.01 -0.40 0.00 0.34 0.00 0.00 59.36 59.24 3m4o h GLU 64 Cb 1.06 0.05 -0.32 0.00 -0.10 0.00 0.00 28.75 29.44 3m4o h GLU 64 CO 1.27 -0.14 -0.78 -1.58 -1.16 0.00 0.00 179.01 176.63 3m4o s HIS 65 N -4.42 0.78 -2.00 4.33 2.46 -1.26 -5.05 115.29 110.12 3m4o s HIS 65 Ca -0.08 -0.20 0.06 0.00 0.47 0.00 0.00 55.06 55.31 3m4o s HIS 65 Cb 0.05 -0.61 0.35 0.00 -0.13 0.00 0.00 32.58 32.24 3m4o s HIS 65 CO 0.33 -0.12 1.20 -0.35 -2.47 0.00 0.00 174.74 173.33 3m4o n PRO 66 N 3.56 0.97 0.23 2.88 -0.04 -1.26 -2.06 135.00 139.29 3m4o n PRO 66 Ca -0.21 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.41 3m4o n PRO 66 Cb 0.53 -1.09 0.68 0.00 -0.04 0.00 0.00 33.50 33.57 3m4o n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3m4o h PHE 67 N 0.00 0.00 -4.18 0.54 0.05 -1.97 -3.44 116.94 107.94 3m4o h PHE 67 Ca 0.00 0.00 -0.57 0.00 3.82 0.00 0.00 57.97 61.22 3m4o h PHE 67 Cb 0.00 0.00 -0.26 0.00 2.00 0.00 0.00 35.95 37.69 3m4o h PHE 67 CO 0.00 0.00 -0.84 -0.06 -0.18 0.00 0.00 178.31 177.23 3m4o s PHE 68 N -3.60 1.74 -0.43 -0.55 0.40 -0.87 -5.08 117.98 109.58 3m4o s PHE 68 Ca 0.01 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.76 3m4o s PHE 68 Cb 0.09 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.60 3m4o s PHE 68 CO 0.47 0.07 0.68 0.00 0.70 0.00 0.00 175.22 177.14 3m4o s ALA 69 N -0.76 3.35 0.00 5.36 0.00 -1.26 -4.83 121.76 123.61 3m4o s ALA 69 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3m4o s ALA 69 Cb -0.09 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3m4o s ALA 69 CO 0.01 -1.76 0.00 2.89 0.00 0.00 0.00 175.76 176.90 3m4o n ARG 70 N 6.36 0.00 -3.55 0.00 1.85 -0.90 -1.34 116.66 119.08 3m4o n ARG 70 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 3m4o n ARG 70 Cb 0.48 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.85 3m4o n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3m4o s PHE 71 N -2.00 -0.37 -0.29 2.89 -0.12 -1.25 -4.40 117.98 112.43 3m4o s PHE 71 Ca 0.00 0.49 -0.08 0.00 -0.05 0.00 0.00 56.93 57.30 3m4o s PHE 71 Cb 0.00 0.48 -0.00 0.00 -0.63 0.00 0.00 43.02 42.87 3m4o s PHE 71 CO 0.00 -0.42 0.10 0.15 -0.05 0.00 0.00 175.22 175.00 3m4o s LYS 72 N -1.87 3.26 -0.21 1.99 1.02 -0.77 -2.16 119.74 121.00 3m4o s LYS 72 Ca 0.00 -0.75 -0.16 0.00 0.02 0.00 0.00 55.97 55.09 3m4o s LYS 72 Cb -0.01 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 3m4o s LYS 72 CO -0.02 -0.39 0.42 -1.17 -0.92 0.00 0.00 175.35 173.27 3m4o s LEU 73 N 1.55 4.13 -0.10 3.17 2.96 -0.40 -1.49 118.68 128.51 3m4o s LEU 73 Ca 0.04 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 3m4o s LEU 73 Cb -0.17 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 3m4o s LEU 73 CO 0.04 -0.11 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.20 3m4o s ARG 74 N 1.50 3.03 -0.04 1.98 3.52 -0.11 0.21 118.95 129.03 3m4o s ARG 74 Ca 0.19 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 3m4o s ARG 74 Cb -0.15 -2.50 0.01 0.00 -1.56 0.00 0.00 34.95 30.75 3m4o s ARG 74 CO 0.08 0.36 -0.08 0.42 -0.81 0.00 0.00 175.30 175.27 3m4o s ILE 75 N -0.03 0.79 -0.13 4.11 1.01 -0.48 -1.39 121.20 125.06 3m4o s ILE 75 Ca -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.33 3m4o s ILE 75 Cb -0.14 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.60 3m4o s ILE 75 CO 0.04 0.26 -0.21 -1.58 0.00 0.00 0.00 174.94 173.46 3m4o s GLN 76 N 0.54 2.84 0.51 2.79 0.74 0.08 -1.37 119.66 125.78 3m4o s GLN 76 Ca -0.09 -0.79 0.05 0.00 0.05 0.00 0.00 55.36 54.58 3m4o s GLN 76 Cb -0.12 -2.30 0.01 0.00 1.10 0.00 0.00 33.01 31.69 3m4o s GLN 76 CO 0.01 -0.02 0.28 0.95 -0.55 0.00 0.00 175.29 175.97 3m4o s THR 77 N 0.83 1.73 1.27 -0.34 -4.23 -1.13 -0.50 115.64 113.26 3m4o s THR 77 Ca -0.08 -1.62 -0.20 0.00 -1.18 0.00 0.00 61.69 58.62 3m4o s THR 77 Cb -0.15 -2.35 0.31 0.00 1.34 0.00 0.00 72.50 71.64 3m4o s THR 77 CO -0.01 0.00 1.05 -0.89 -0.54 0.00 0.00 174.62 174.22 3m4o s THR 78 N -2.74 1.51 -0.38 3.99 2.01 -1.21 -4.73 115.64 114.08 3m4o s THR 78 Ca 0.31 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.02 3m4o s THR 78 Cb -0.00 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 3m4o s THR 78 CO 0.18 0.00 1.68 -0.70 -0.69 0.00 0.00 174.62 175.09 3m4o s GLU 79 N -5.24 3.35 0.00 4.92 2.12 -1.26 -3.72 118.70 118.87 3m4o s GLU 79 Ca 0.70 1.19 0.00 0.00 0.36 0.00 0.00 54.97 57.22 3m4o s GLU 79 Cb -0.12 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.11 3m4o s GLU 79 CO 0.57 -1.85 0.00 0.41 -0.54 0.00 0.00 175.26 173.85 3m4o n GLY 80 N 5.34 3.45 3.70 -1.50 0.00 -1.26 -5.07 105.19 109.85 3m4o n GLY 80 Ca 0.21 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3m4o n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m4o s TYR 81 N 0.00 2.73 -0.09 1.61 6.04 -1.24 -5.02 117.35 121.37 3m4o s TYR 81 Ca 0.00 0.53 -0.19 0.00 0.04 0.00 0.00 57.07 57.45 3m4o s TYR 81 Cb 0.00 -3.88 -0.04 0.00 -1.04 0.00 0.00 41.96 36.99 3m4o s TYR 81 CO 0.00 -3.41 0.52 0.34 -1.54 0.00 0.00 175.55 171.47 3m4o s ASP 82 N 1.88 6.77 0.27 4.32 2.15 -1.26 -4.43 116.67 126.38 3m4o s ASP 82 Ca 0.71 0.92 0.01 0.00 0.43 0.00 0.00 52.55 54.62 3m4o s ASP 82 Cb -0.39 -2.31 0.61 0.00 -0.30 0.00 0.00 42.92 40.53 3m4o s ASP 82 CO 0.31 0.01 1.74 1.55 -0.17 0.00 0.00 175.17 178.61 3m4o h PRO 83 N 6.48 0.52 -0.93 4.34 0.13 -1.92 -0.39 132.00 140.23 3m4o h PRO 83 Ca -0.42 -0.03 0.21 0.00 -0.87 0.00 0.00 66.00 64.89 3m4o h PRO 83 Cb 1.19 -0.12 -0.12 0.00 0.13 0.00 0.00 31.00 32.08 3m4o h PRO 83 CO 0.74 0.34 0.48 0.87 -0.23 0.00 0.00 178.00 180.20 3m4o h LYS 84 N 0.53 0.50 -0.05 0.86 1.57 -1.97 0.36 116.57 118.38 3m4o h LYS 84 Ca 0.50 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.13 3m4o h LYS 84 Cb 0.82 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3m4o h LYS 84 CO -0.43 0.33 -0.54 -0.44 -0.57 0.00 0.00 179.45 177.81 3m4o h ASP 85 N 0.52 0.15 -0.59 0.86 3.32 -1.49 0.34 116.42 119.53 3m4o h ASP 85 Ca 0.57 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.45 3m4o h ASP 85 Cb 1.04 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3m4o h ASP 85 CO -0.48 0.66 -0.00 0.00 -1.72 0.00 0.00 179.24 177.70 3m4o h ALA 86 N 1.34 0.86 0.77 3.45 0.00 -0.06 -0.79 119.26 124.84 3m4o h ALA 86 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3m4o h ALA 86 Cb 0.98 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3m4o h ALA 86 CO 0.08 0.67 -0.37 1.25 0.00 0.00 0.00 179.25 180.87 3m4o h LEU 87 N 0.96 -0.88 -0.87 0.00 5.85 -0.59 -2.40 115.31 117.38 3m4o h LEU 87 Ca 0.17 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.00 3m4o h LEU 87 Cb 0.55 0.23 -0.11 0.00 0.37 0.00 0.00 40.66 41.70 3m4o h LEU 87 CO 0.03 -0.52 -0.49 0.29 -0.34 0.00 0.00 178.44 177.41 3m4o n LYS 88 N -5.47 -0.36 -0.08 1.25 5.02 0.12 0.20 118.16 118.84 3m4o n LYS 88 Ca -0.13 1.32 -0.07 0.00 -2.02 0.00 0.00 58.31 57.41 3m4o n LYS 88 Cb 0.41 -1.94 0.11 0.00 -0.02 0.00 0.00 35.03 33.60 3m4o n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3m4o h ASN 89 N 0.00 0.75 -0.86 4.39 -0.26 -1.27 -2.30 115.58 116.03 3m4o h ASN 89 Ca 0.16 -0.26 0.10 0.00 -0.56 0.00 0.00 56.30 55.74 3m4o h ASN 89 Cb 0.38 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.37 3m4o h ASN 89 CO -0.82 0.94 0.56 0.00 -1.06 0.00 0.00 177.43 177.04 3m4o h ALA 90 N 1.12 1.68 0.00 -0.83 0.00 0.29 -1.12 119.26 120.40 3m4o h ALA 90 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3m4o h ALA 90 Cb 0.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3m4o h ALA 90 CO 0.05 0.15 -0.22 0.00 0.00 0.00 0.00 179.25 179.23 3m4o h ASN 92 N -0.55 0.45 -0.07 0.00 2.35 -1.04 -0.22 115.58 116.50 3m4o h ASN 92 Ca -0.03 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3m4o h ASN 92 Cb 0.98 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 3m4o h ASN 92 CO 0.04 0.23 -0.10 -1.28 -1.65 0.00 0.00 177.43 174.67 3m4o h SER 93 N 0.59 -0.32 -0.36 5.81 0.87 -1.34 -0.07 113.55 118.72 3m4o h SER 93 Ca 0.39 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 61.08 3m4o h SER 93 Cb 0.47 0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.52 3m4o h SER 93 CO -0.31 -0.14 -0.06 0.40 -0.53 0.00 0.00 176.83 176.19 3m4o h ILE 94 N -0.14 0.67 -0.85 2.23 2.04 -1.12 -0.86 117.51 119.47 3m4o h ILE 94 Ca 0.06 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3m4o h ILE 94 Cb 0.23 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3m4o h ILE 94 CO -0.16 0.01 0.47 0.40 0.00 0.00 0.00 178.15 178.87 3m4o h ILE 95 N 0.04 1.25 -0.58 -0.67 2.04 -0.63 -1.17 117.51 117.78 3m4o h ILE 95 Ca 0.18 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 3m4o h ILE 95 Cb 0.26 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3m4o h ILE 95 CO -0.35 0.28 -0.00 0.78 0.00 0.00 0.00 178.15 178.86 3m4o h ASN 96 N 1.19 0.98 -0.32 1.72 2.35 -0.29 0.17 115.58 121.38 3m4o h ASN 96 Ca 0.30 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3m4o h ASN 96 Cb 0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3m4o h ASN 96 CO -0.05 1.04 0.19 0.11 -1.65 0.00 0.00 177.43 177.07 3m4o h LYS 97 N 0.92 0.43 -0.54 0.81 1.57 -0.69 -2.31 116.57 116.77 3m4o h LYS 97 Ca 0.17 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 3m4o h LYS 97 Cb 0.54 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3m4o h LYS 97 CO 0.03 0.32 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.04 3m4o h LEU 98 N 0.41 1.03 -2.09 2.94 3.38 -1.05 0.46 115.31 120.40 3m4o h LEU 98 Ca 0.11 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3m4o h LEU 98 Cb 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3m4o h LEU 98 CO -0.02 1.15 0.06 1.23 0.09 0.00 0.00 178.44 180.95 3m4o h GLY 99 N 0.90 0.00 0.49 0.83 0.00 -0.51 -0.58 103.07 104.20 3m4o h GLY 99 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.13 3m4o h GLY 99 CO 0.05 0.00 -2.06 0.00 0.00 0.00 0.00 176.54 174.53 3m4o n ALA 100 N -2.51 1.45 -0.16 3.60 0.00 -0.88 -3.55 120.51 118.46 3m4o n ALA 100 Ca -0.01 -1.01 -0.03 0.00 0.00 0.00 0.00 53.44 52.38 3m4o n ALA 100 Cb 0.16 -0.51 0.06 0.00 0.00 0.00 0.00 19.45 19.16 3m4o n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m4o h LEU 101 N 0.01 0.24 0.31 0.00 6.46 0.43 -2.26 115.31 120.50 3m4o h LEU 101 Ca -0.42 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.38 3m4o h LEU 101 Cb 2.11 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 42.04 3m4o h LEU 101 CO 0.05 0.17 -0.26 0.50 -0.62 0.00 0.00 178.44 178.27 3m4o h LYS 102 N 0.40 -0.57 -0.76 1.25 3.64 -1.25 -1.09 116.57 118.19 3m4o h LYS 102 Ca 0.24 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3m4o h LYS 102 Cb 0.22 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3m4o h LYS 102 CO -0.22 -0.38 0.34 1.15 -2.27 0.00 0.00 179.45 178.07 3m4o h THR 103 N -0.59 1.25 -0.15 1.00 2.02 -1.59 -0.90 112.91 113.95 3m4o h THR 103 Ca -0.02 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 3m4o h THR 103 Cb 0.52 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3m4o h THR 103 CO -0.03 0.30 0.06 0.78 0.37 0.00 0.00 175.52 177.00 3m4o h ASN 104 N 1.09 0.21 0.42 4.18 2.35 -1.23 -0.49 115.58 122.11 3m4o h ASN 104 Ca 0.26 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3m4o h ASN 104 Cb 0.15 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3m4o h ASN 104 CO -0.03 0.32 -0.32 0.15 -1.65 0.00 0.00 177.43 175.91 3m4o h PHE 105 N 0.08 -0.84 -0.80 1.19 3.57 -0.98 -2.01 116.94 117.14 3m4o h PHE 105 Ca 0.05 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.73 3m4o h PHE 105 Cb 0.18 0.31 -0.14 0.00 2.79 0.00 0.00 35.95 39.09 3m4o h PHE 105 CO -0.01 -0.47 -0.03 0.93 -2.23 0.00 0.00 178.31 176.50 3m4o h GLU 106 N -0.73 0.07 -0.93 1.11 5.08 -1.01 0.45 114.58 118.62 3m4o h GLU 106 Ca -0.04 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3m4o h GLU 106 Cb 0.62 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3m4o h GLU 106 CO 0.00 0.05 0.61 1.15 -1.00 0.00 0.00 179.01 179.82 3m4o h THR 107 N 0.07 1.22 0.14 1.13 2.02 -0.87 -2.56 112.91 114.06 3m4o h THR 107 Ca 0.44 -0.42 -0.29 0.00 0.77 0.00 0.00 66.41 66.91 3m4o h THR 107 Cb 0.77 -0.12 0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3m4o h THR 107 CO -0.73 0.22 -1.26 -0.33 0.37 0.00 0.00 175.52 173.79 3m4o h GLU 108 N 1.23 0.40 -0.41 6.66 4.39 0.28 -3.23 114.58 123.91 3m4o h GLU 108 Ca 0.35 -0.63 0.05 0.00 0.34 0.00 0.00 59.36 59.47 3m4o h GLU 108 Cb -0.11 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3m4o h GLU 108 CO -0.08 1.28 0.28 2.35 -1.16 0.00 0.00 179.01 181.68 3m4o h TRP 109 N 0.14 0.34 0.00 4.33 2.91 -0.14 -2.77 115.95 120.76 3m4o h TRP 109 Ca -0.17 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.81 3m4o h TRP 109 Cb 1.96 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 30.50 3m4o h TRP 109 CO 0.09 0.19 -0.23 -0.91 -1.03 0.00 0.00 178.44 176.54 3m4o h ASN 110 N 0.34 0.00 1.53 2.65 2.35 -1.48 -3.14 115.58 117.83 3m4o h ASN 110 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3m4o h ASN 110 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3m4o h ASN 110 CO -0.04 0.23 -0.48 -0.07 -1.65 0.00 0.00 177.43 175.43 3m4o h LEU 111 N 0.00 0.00 -9.94 1.61 3.38 -1.59 -3.46 115.31 105.31 3m4o h LEU 111 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3m4o h LEU 111 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3m4o h LEU 111 CO 0.03 0.06 0.31 -1.10 0.09 0.00 0.00 178.44 177.83 3m4o s GLN 112 N -3.24 4.41 0.29 1.13 -1.52 -1.19 -5.09 119.66 114.45 3m4o s GLN 112 Ca 0.03 1.18 0.08 0.00 -1.95 0.00 0.00 55.36 54.71 3m4o s GLN 112 Cb 0.07 -2.60 -0.03 0.00 -0.22 0.00 0.00 33.01 30.22 3m4o s GLN 112 CO 0.73 0.19 0.19 0.99 -0.25 0.00 0.00 175.29 177.14 3m4o s THR 113 N -1.80 3.92 0.00 -0.19 2.01 -1.26 -5.05 115.64 113.28 3m4o s THR 113 Ca 0.53 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 61.04 3m4o s THR 113 Cb -0.15 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3m4o s THR 113 CO 0.20 -0.29 0.00 -0.11 -0.69 0.00 0.00 174.62 173.73