#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3d h PHE 13 N 0.00 0.82 -0.72 0.00 0.04 -2.06 -1.12 116.94 113.90 2k3d h PHE 13 Ca 0.00 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 2k3d h PHE 13 Cb 0.00 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 2k3d h PHE 13 CO 0.00 0.53 0.26 0.74 -0.60 0.00 0.00 178.31 179.24 2k3d h PHE 14 N 0.86 1.12 -0.78 -0.55 0.04 -2.05 -2.18 116.94 113.39 2k3d h PHE 14 Ca 0.23 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2k3d h PHE 14 Cb -0.07 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 37.72 2k3d h PHE 14 CO -0.02 0.87 0.35 -0.91 -0.60 0.00 0.00 178.31 178.00 2k3d h ASN 15 N 1.04 1.05 -0.67 2.17 2.35 -1.87 -2.28 115.58 117.36 2k3d h ASN 15 Ca 0.24 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2k3d h ASN 15 Cb 0.25 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2k3d h ASN 15 CO -0.01 0.90 0.20 -0.33 -1.65 0.00 0.00 177.43 176.55 2k3d h GLU 16 N 1.12 1.04 -0.78 0.81 5.08 -0.85 -1.88 114.58 119.11 2k3d h GLU 16 Ca 0.27 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2k3d h GLU 16 Cb 0.16 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2k3d h GLU 16 CO -0.03 0.91 0.40 1.96 -1.00 0.00 0.00 179.01 181.25 2k3d h GLN 17 N 0.97 1.10 -0.60 2.33 1.08 -1.06 -0.49 115.11 118.45 2k3d h GLN 17 Ca 0.21 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2k3d h GLN 17 Cb 0.30 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 2k3d h GLN 17 CO -0.01 0.84 0.18 0.87 -0.95 0.00 0.00 178.83 179.76 2k3d h LYS 18 N 1.09 0.93 -0.47 1.46 1.57 -1.10 -1.04 116.57 119.01 2k3d h LYS 18 Ca 0.27 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2k3d h LYS 18 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2k3d h LYS 18 CO -0.04 0.83 0.09 0.93 -0.57 0.00 0.00 179.45 180.69 2k3d h GLU 19 N 0.85 0.76 -0.42 3.15 5.08 -0.88 -0.94 114.58 122.19 2k3d h GLU 19 Ca 0.19 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2k3d h GLU 19 Cb 0.30 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k3d h GLU 19 CO -0.00 0.77 0.12 0.87 -1.00 0.00 0.00 179.01 179.76 2k3d h LYS 20 N 0.63 0.66 -0.34 2.33 1.57 -0.89 -1.04 116.57 119.49 2k3d h LYS 20 Ca 0.14 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2k3d h LYS 20 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2k3d h LYS 20 CO 0.01 0.66 0.09 0.28 -0.57 0.00 0.00 179.45 179.92 2k3d h VAL 21 N 0.54 1.22 -0.17 0.50 2.07 -1.06 0.13 116.25 119.48 2k3d h VAL 21 Ca 0.13 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2k3d h VAL 21 Cb 0.29 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2k3d h VAL 21 CO -0.00 0.25 0.08 0.74 0.02 0.00 0.00 177.57 178.66 2k3d h THR 22 N 0.40 1.13 -0.61 2.57 2.02 -1.06 0.40 112.91 117.76 2k3d h THR 22 Ca 0.11 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2k3d h THR 22 Cb 0.29 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2k3d h THR 22 CO 0.00 0.12 0.19 0.25 0.37 0.00 0.00 175.52 176.45 2k3d h LEU 23 N 0.14 0.89 -0.72 2.58 5.85 -1.10 -2.65 115.31 120.31 2k3d h LEU 23 Ca 0.06 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 2k3d h LEU 23 Cb 0.12 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2k3d h LEU 23 CO -0.01 0.86 0.23 0.22 -0.34 0.00 0.00 178.44 179.40 2k3d h TYR 24 N 0.87 1.15 -0.34 1.25 3.20 -0.51 -2.09 116.97 120.50 2k3d h TYR 24 Ca 0.20 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2k3d h TYR 24 Cb 0.30 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2k3d h TYR 24 CO 0.02 0.91 0.17 -0.07 -1.64 0.00 0.00 178.16 177.55 2k3d h LEU 25 N 1.05 0.44 -1.16 2.82 3.38 -0.67 -2.29 115.31 118.89 2k3d h LEU 25 Ca 0.23 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2k3d h LEU 25 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2k3d h LEU 25 CO -0.01 0.42 -0.41 0.07 0.09 0.00 0.00 178.44 178.61 2k3d h LYS 26 N 0.42 0.00 -0.46 1.13 2.10 -1.37 0.17 116.57 118.55 2k3d h LYS 26 Ca 0.12 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.63 2k3d h LYS 26 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 2k3d h LYS 26 CO -0.02 0.41 -0.25 0.45 -2.00 0.00 0.00 179.45 178.04 2k3d h HIS 27 N 0.00 1.13 -0.01 0.07 3.86 -0.98 -2.85 115.15 116.36 2k3d h HIS 27 Ca -0.00 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2k3d h HIS 27 Cb 0.76 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2k3d h HIS 27 CO 0.00 1.11 -0.27 0.09 0.86 0.00 0.00 177.93 179.72 2k3d n ASN 28 N -4.10 1.65 -3.53 2.45 3.02 -0.90 -4.65 115.26 109.21 2k3d n ASN 28 Ca -0.00 -1.31 -0.29 0.00 -0.03 0.00 0.00 54.58 52.94 2k3d n ASN 28 Cb 0.48 0.22 -0.13 0.00 -0.61 0.00 0.00 39.78 39.73 2k3d n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k3d s ILE 29 N -2.37 0.25 -0.27 2.41 1.01 0.57 -3.87 121.20 118.93 2k3d s ILE 29 Ca 0.25 -1.46 0.27 0.00 0.00 0.00 0.00 60.65 59.71 2k3d s ILE 29 Cb 0.19 -1.20 0.30 0.00 0.01 0.00 0.00 42.46 41.77 2k3d s ILE 29 CO 0.49 -0.87 1.81 1.55 0.00 0.00 0.00 174.94 177.92 2k3d h PRO 30 N 7.52 0.00 -0.22 2.79 0.13 -1.82 -1.98 132.00 138.42 2k3d h PRO 30 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2k3d h PRO 30 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2k3d h PRO 30 CO 0.36 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.88 2k3d n ASP 31 N -2.54 1.80 -4.72 1.44 8.00 -1.26 -4.92 116.55 114.35 2k3d n ASP 31 Ca 0.02 -1.78 -0.43 0.00 0.71 0.00 0.00 54.79 53.31 2k3d n ASP 31 Cb 0.25 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 2k3d n ASP 31 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2k3d n PHE 32 N 0.42 2.62 -0.03 1.24 7.35 -0.75 -4.91 117.46 123.40 2k3d n PHE 32 Ca 0.15 0.27 -0.06 0.00 -0.76 0.00 0.00 57.45 57.05 2k3d n PHE 32 Cb 0.34 -2.57 -0.02 0.00 0.35 0.00 0.00 39.48 37.57 2k3d n PHE 32 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k3d n ASN 33 N 2.54 1.41 -3.66 -2.13 2.85 -1.26 -5.04 115.26 109.98 2k3d n ASN 33 Ca 0.11 0.22 -0.10 0.00 -0.11 0.00 0.00 54.58 54.70 2k3d n ASN 33 Cb 0.34 -0.51 -0.05 0.00 1.24 0.00 0.00 39.78 40.81 2k3d n ASN 33 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2k3d s THR 34 N -2.41 0.07 -0.05 -0.44 -1.32 -1.26 -4.97 115.64 105.26 2k3d s THR 34 Ca -0.15 -0.63 0.04 0.00 -1.21 0.00 0.00 61.69 59.74 2k3d s THR 34 Cb 0.03 -1.22 -0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2k3d s THR 34 CO 0.22 -0.31 -0.18 0.54 -2.21 0.00 0.00 174.62 172.68 2k3d s VAL 35 N -3.82 1.50 -0.12 5.08 0.11 -1.26 -2.28 120.40 119.62 2k3d s VAL 35 Ca 0.04 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2k3d s VAL 35 Cb 0.02 -1.29 0.01 0.00 -1.53 0.00 0.00 36.38 33.59 2k3d s VAL 35 CO -0.11 0.43 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.02 2k3d s THR 36 N 0.07 1.69 0.02 5.04 2.01 -0.55 -5.00 115.64 118.92 2k3d s THR 36 Ca -0.05 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 2k3d s THR 36 Cb -0.12 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 2k3d s THR 36 CO 0.03 0.48 0.29 -0.36 -0.69 0.00 0.00 174.62 174.36 2k3d s PHE 37 N 0.88 3.58 -0.45 4.92 0.08 -1.26 -2.10 117.98 123.63 2k3d s PHE 37 Ca -0.08 0.61 0.06 0.00 0.12 0.00 0.00 56.93 57.63 2k3d s PHE 37 Cb -0.15 -2.02 0.31 0.00 -0.57 0.00 0.00 43.02 40.59 2k3d s PHE 37 CO -0.01 0.60 1.13 -2.37 -0.10 0.00 0.00 175.22 174.47 2k3d n THR 38 N 1.10 0.00 0.00 0.64 5.66 -1.05 -5.00 114.28 115.63 2k3d n THR 38 Ca -0.11 -1.40 0.00 0.00 -3.05 0.00 0.00 64.05 59.49 2k3d n THR 38 Cb 0.53 1.45 0.00 0.00 -1.55 0.00 0.00 70.33 70.76 2k3d n THR 38 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2k3d n ASN 39 N 0.51 0.00 -3.09 1.09 2.85 -1.25 -4.90 115.26 110.46 2k3d n ASN 39 Ca 0.05 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.42 2k3d n ASN 39 Cb 0.70 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.73 2k3d n ASN 39 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2k3d n GLU 40 N -0.67 -1.85 -4.39 1.20 0.00 -1.25 -4.98 120.64 108.70 2k3d n GLU 40 Ca 0.00 1.68 -0.28 0.00 0.00 0.00 0.00 57.16 58.56 2k3d n GLU 40 Cb 0.00 -5.03 -0.13 0.00 0.00 0.00 0.00 31.44 26.29 2k3d n GLU 40 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2k3d s GLU 41 N -2.97 1.40 -0.26 5.31 2.56 -0.57 -4.99 118.70 119.18 2k3d s GLU 41 Ca 0.14 -1.36 -0.18 0.00 0.00 0.00 0.00 54.97 53.57 2k3d s GLU 41 Cb -0.03 -1.86 -0.03 0.00 2.00 0.00 0.00 34.13 34.21 2k3d s GLU 41 CO 0.79 0.44 0.52 -0.06 -0.56 0.00 0.00 175.26 176.38 2k3d s PHE 42 N -1.15 3.27 0.18 5.30 0.08 -1.26 -0.54 117.98 123.86 2k3d s PHE 42 Ca 0.14 0.65 0.05 0.00 0.12 0.00 0.00 56.93 57.89 2k3d s PHE 42 Cb -0.10 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2k3d s PHE 42 CO 0.06 -0.27 0.21 -0.80 -0.10 0.00 0.00 175.22 174.32 2k3d s ASN 43 N 1.51 5.84 0.37 1.36 -0.87 -0.58 -4.91 114.94 117.67 2k3d s ASN 43 Ca 0.21 -0.04 0.17 0.00 -1.57 0.00 0.00 52.86 51.64 2k3d s ASN 43 Cb -0.16 -1.62 1.08 0.00 -0.02 0.00 0.00 41.25 40.54 2k3d s ASN 43 CO 0.09 0.04 1.72 -0.65 -2.57 0.00 0.00 177.10 175.73 2k3d h PRO 44 N 2.10 0.39 -0.35 -0.60 0.11 -1.97 0.29 132.00 131.97 2k3d h PRO 44 Ca -0.48 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 2k3d h PRO 44 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2k3d h PRO 44 CO 0.64 0.26 -0.31 0.97 -0.21 0.00 0.00 178.00 179.35 2k3d h ILE 45 N 0.40 1.28 0.00 4.15 2.10 -2.02 -3.48 117.51 119.93 2k3d h ILE 45 Ca 0.66 -1.45 0.00 0.00 1.08 0.00 0.00 64.86 65.15 2k3d h ILE 45 Cb 1.59 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.65 2k3d h ILE 45 CO -0.41 0.48 0.00 0.61 -1.08 0.00 0.00 178.15 177.74 2k3d n GLY 46 N -0.09 -1.54 3.39 8.18 0.00 0.10 -5.04 105.19 110.19 2k3d n GLY 46 Ca -0.01 0.65 -0.22 0.00 0.00 0.00 0.00 46.02 46.44 2k3d n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k3d s ILE 47 N 0.00 2.06 -0.03 -0.61 -4.36 -1.26 -1.53 121.20 115.47 2k3d s ILE 47 Ca 0.00 -2.16 -0.01 0.00 -0.26 0.00 0.00 60.65 58.22 2k3d s ILE 47 Cb 0.00 -2.07 0.03 0.00 1.25 0.00 0.00 42.46 41.67 2k3d s ILE 47 CO 0.00 -0.39 0.05 -0.94 0.24 0.00 0.00 174.94 173.90 2k3d s SER 48 N -3.09 0.74 -0.08 4.36 1.04 0.30 -3.82 113.70 113.14 2k3d s SER 48 Ca 0.22 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.76 2k3d s SER 48 Cb -0.04 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 2k3d s SER 48 CO 0.09 -0.20 -0.22 -0.63 0.98 0.00 0.00 173.24 173.26 2k3d s ILE 49 N 1.76 2.30 0.05 -1.02 1.01 0.12 -1.51 121.20 123.90 2k3d s ILE 49 Ca -0.00 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.73 2k3d s ILE 49 Cb -0.12 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2k3d s ILE 49 CO -0.03 0.56 -0.13 -0.62 0.00 0.00 0.00 174.94 174.72 2k3d s ASP 50 N 0.04 1.52 0.01 3.58 -1.08 -1.26 -1.11 116.67 118.37 2k3d s ASP 50 Ca -0.09 -0.49 -0.02 0.00 -0.52 0.00 0.00 52.55 51.43 2k3d s ASP 50 Cb -0.15 -0.07 0.01 0.00 -1.46 0.00 0.00 42.92 41.24 2k3d s ASP 50 CO 0.06 -0.02 0.07 0.61 0.52 0.00 0.00 175.17 176.40 2k3d n GLY 51 N 1.73 0.96 3.19 2.66 0.00 -0.79 -2.52 105.19 110.43 2k3d n GLY 51 Ca -0.19 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 2k3d n GLY 51 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k3d s TYR 52 N -4.49 0.79 0.30 1.61 -0.85 -0.89 -0.20 117.35 113.62 2k3d s TYR 52 Ca 0.02 -1.16 0.10 0.00 -0.52 0.00 0.00 57.07 55.51 2k3d s TYR 52 Cb -0.00 -0.40 -0.06 0.00 0.38 0.00 0.00 41.96 41.88 2k3d s TYR 52 CO 0.00 -0.56 -0.13 0.96 -1.52 0.00 0.00 175.55 174.30 2k3d s ILE 53 N -4.04 2.15 -1.54 -3.49 -4.36 -1.00 -1.48 121.20 107.45 2k3d s ILE 53 Ca 0.24 -2.26 -0.03 0.00 -0.26 0.00 0.00 60.65 58.34 2k3d s ILE 53 Cb 0.07 -2.44 0.01 0.00 1.25 0.00 0.00 42.46 41.35 2k3d s ILE 53 CO 0.02 -0.32 0.36 0.59 0.24 0.00 0.00 174.94 175.82 2k3d n ASN 54 N -0.66 -5.56 -2.06 4.36 3.02 -0.97 -1.69 115.26 111.70 2k3d n ASN 54 Ca -0.05 -0.17 -0.09 0.00 -0.03 0.00 0.00 54.58 54.24 2k3d n ASN 54 Cb 0.62 -4.56 -0.02 0.00 -0.61 0.00 0.00 39.78 35.21 2k3d n ASN 54 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2k3d n ASN 55 N -2.28 -2.81 -4.28 6.41 3.02 -1.26 -4.89 115.26 109.17 2k3d n ASN 55 Ca -0.14 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.28 2k3d n ASN 55 Cb 0.63 -2.54 -0.12 0.00 -0.61 0.00 0.00 39.78 37.14 2k3d n ASN 55 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k3d s ASP 56 N -1.93 5.42 0.46 6.41 -1.08 -0.68 -4.95 116.67 120.32 2k3d s ASP 56 Ca 0.00 -1.23 0.14 0.00 -0.52 0.00 0.00 52.55 50.93 2k3d s ASP 56 Cb 0.00 -1.91 1.08 0.00 -1.46 0.00 0.00 42.92 40.63 2k3d s ASP 56 CO 0.00 -0.38 2.05 0.11 0.52 0.00 0.00 175.17 177.46 2k3d h LYS 57 N 8.27 0.30 -0.82 4.34 1.57 -1.90 -1.23 116.57 127.09 2k3d h LYS 57 Ca -0.23 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 2k3d h LYS 57 Cb 1.08 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 2k3d h LYS 57 CO 0.64 0.20 0.38 -0.91 -0.57 0.00 0.00 179.45 179.19 2k3d h ASN 58 N 0.31 1.09 -1.12 0.86 -0.26 -1.94 -3.31 115.58 111.21 2k3d h ASN 58 Ca 0.17 -0.14 -0.69 0.00 -0.56 0.00 0.00 56.30 55.08 2k3d h ASN 58 Cb 0.28 -0.28 -0.10 0.00 -1.06 0.00 0.00 38.32 37.16 2k3d h ASN 58 CO -0.04 0.93 2.02 -0.76 -1.06 0.00 0.00 177.43 178.53 2k3d s LEU 59 N -9.77 4.07 0.14 1.61 1.43 -0.47 -4.79 118.68 110.90 2k3d s LEU 59 Ca -0.12 -2.53 0.04 0.00 -1.03 0.00 0.00 54.13 50.49 2k3d s LEU 59 Cb 0.16 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2k3d s LEU 59 CO 0.83 -1.10 0.14 -0.44 0.23 0.00 0.00 176.35 176.01 2k3d s SER 60 N 3.98 5.63 0.03 2.29 0.01 -1.25 -2.37 113.70 122.02 2k3d s SER 60 Ca 0.52 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2k3d s SER 60 Cb 0.03 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 2k3d s SER 60 CO 0.06 0.10 -0.03 0.72 0.41 0.00 0.00 173.24 174.49 2k3d s PHE 61 N -1.64 0.33 -0.02 2.43 -0.71 0.72 -2.84 117.98 116.25 2k3d s PHE 61 Ca 0.31 -0.58 0.02 0.00 -1.04 0.00 0.00 56.93 55.64 2k3d s PHE 61 Cb -0.11 -0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.48 2k3d s PHE 61 CO 0.24 -0.20 -0.07 0.99 -1.34 0.00 0.00 175.22 174.84 2k3d s THR 62 N -1.69 0.63 0.05 -4.49 2.01 0.10 -1.88 115.64 110.38 2k3d s THR 62 Ca -0.13 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 2k3d s THR 62 Cb -0.08 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.87 2k3d s THR 62 CO -0.02 0.20 0.28 0.00 -0.69 0.00 0.00 174.62 174.40 2k3d s ALA 63 N 0.20 -0.60 0.00 7.40 0.00 -0.27 -0.94 121.76 127.55 2k3d s ALA 63 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2k3d s ALA 63 Cb -0.07 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.37 2k3d s ALA 63 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2k3d n GLY 64 N 0.55 2.22 3.70 0.00 0.00 -1.25 0.10 105.19 110.52 2k3d n GLY 64 Ca -0.18 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2k3d n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3d n LYS 65 N 0.00 2.70 -0.12 1.61 5.02 -1.25 -4.73 118.16 121.39 2k3d n LYS 65 Ca 0.00 0.98 0.02 0.00 -2.02 0.00 0.00 58.31 57.28 2k3d n LYS 65 Cb 0.00 -2.83 -0.00 0.00 -0.02 0.00 0.00 35.03 32.18 2k3d n LYS 65 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k3d n ASP 66 N 4.40 -1.71 -1.58 4.39 2.03 -1.26 -3.67 116.55 119.15 2k3d n ASP 66 Ca 0.17 0.13 0.02 0.00 0.52 0.00 0.00 54.79 55.63 2k3d n ASP 66 Cb 0.35 -0.50 0.28 0.00 -0.72 0.00 0.00 41.12 40.52 2k3d n ASP 66 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2k3d n VAL 67 N -0.82 2.12 -0.23 5.18 0.31 -1.26 -4.35 118.33 119.28 2k3d n VAL 67 Ca 0.00 -1.08 -0.07 0.00 -0.01 0.00 0.00 64.34 63.18 2k3d n VAL 67 Cb 0.06 -0.37 0.04 0.00 -0.91 0.00 0.00 33.84 32.65 2k3d n VAL 67 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2k3d h LYS 68 N 2.68 0.98 -5.22 5.55 1.57 -1.93 -3.41 116.57 116.78 2k3d h LYS 68 Ca 0.06 -0.18 -0.67 0.00 -1.87 0.00 0.00 60.65 57.98 2k3d h LYS 68 Cb 1.70 -0.15 -0.32 0.00 0.08 0.00 0.00 32.23 33.54 2k3d h LYS 68 CO 0.42 0.83 -0.84 0.42 -0.57 0.00 0.00 179.45 179.71 2k3d s ILE 69 N -5.52 2.33 -0.02 1.86 1.01 -1.26 -5.07 121.20 114.53 2k3d s ILE 69 Ca -0.13 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2k3d s ILE 69 Cb 0.14 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.67 2k3d s ILE 69 CO 0.81 0.54 -0.04 0.12 0.00 0.00 0.00 174.94 176.37 2k3d s PHE 70 N 0.73 0.48 0.02 3.97 5.36 -1.26 -3.90 117.98 123.38 2k3d s PHE 70 Ca -0.08 -0.09 0.03 0.00 -0.96 0.00 0.00 56.93 55.82 2k3d s PHE 70 Cb -0.16 -0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 42.11 2k3d s PHE 70 CO 0.01 -0.07 -0.08 0.45 -1.46 0.00 0.00 175.22 174.06 2k3d s SER 71 N 0.36 0.95 0.17 6.13 0.15 -0.11 -5.02 113.70 116.34 2k3d s SER 71 Ca -0.04 -0.33 -0.14 0.00 0.70 0.00 0.00 55.95 56.14 2k3d s SER 71 Cb -0.07 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2k3d s SER 71 CO -0.00 -0.03 0.43 -0.94 1.20 0.00 0.00 173.24 173.89 2k3d s SER 72 N -0.83 -0.15 0.98 5.45 1.04 -1.26 0.03 113.70 118.96 2k3d s SER 72 Ca -0.02 -0.58 -0.12 0.00 0.48 0.00 0.00 55.95 55.71 2k3d s SER 72 Cb -0.06 0.51 0.18 0.00 0.10 0.00 0.00 66.02 66.75 2k3d s SER 72 CO 0.00 -0.97 1.08 -0.94 0.98 0.00 0.00 173.24 173.40 2k3d s SER 73 N -2.89 2.67 0.25 7.02 1.04 -1.13 -4.72 113.70 115.95 2k3d s SER 73 Ca 0.11 1.39 -0.02 0.00 0.48 0.00 0.00 55.95 57.91 2k3d s SER 73 Cb 0.01 -2.07 0.31 0.00 0.10 0.00 0.00 66.02 64.37 2k3d s SER 73 CO -0.03 -3.13 1.71 1.05 0.98 0.00 0.00 173.24 173.82 2k3d h GLU 74 N -1.89 0.71 -0.13 4.02 4.11 -1.94 0.32 114.58 119.79 2k3d h GLU 74 Ca -0.53 -0.24 -0.08 0.00 0.07 0.00 0.00 59.36 58.58 2k3d h GLU 74 Cb 1.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2k3d h GLU 74 CO 0.55 0.81 -0.28 0.93 0.07 0.00 0.00 179.01 181.09 2k3d h GLU 75 N 0.65 0.24 0.00 1.06 5.08 -1.91 -2.46 114.58 117.23 2k3d h GLU 75 Ca 0.11 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k3d h GLU 75 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2k3d h GLU 75 CO 0.04 0.50 -0.94 -0.11 -1.00 0.00 0.00 179.01 177.50 2k3d n LEU 76 N -4.14 0.75 -0.03 1.33 7.94 -0.97 -4.06 117.00 117.82 2k3d n LEU 76 Ca -0.01 0.24 -0.16 0.00 -1.11 0.00 0.00 56.01 54.97 2k3d n LEU 76 Cb 0.38 -0.09 -0.08 0.00 0.53 0.00 0.00 43.42 44.16 2k3d n LEU 76 CO 0.40 -0.12 0.34 -0.78 -1.11 0.00 0.00 177.39 176.13 2k3d h ASP 77 N 0.00 0.74 0.35 1.96 1.82 0.06 -3.06 116.42 118.29 2k3d h ASP 77 Ca 0.00 -0.63 -0.01 0.00 -0.39 0.00 0.00 57.03 56.01 2k3d h ASP 77 Cb 0.90 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 2k3d h ASP 77 CO 0.00 1.25 -0.02 0.07 -1.61 0.00 0.00 179.24 178.92 2k3d h LYS 78 N 0.29 0.00 -0.39 0.28 2.10 -1.60 -1.96 116.57 115.29 2k3d h LYS 78 Ca -0.04 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 2k3d h LYS 78 Cb 1.22 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 2k3d h LYS 78 CO 0.12 0.02 -0.01 0.52 -2.00 0.00 0.00 179.45 178.11 2k3d h MET 79 N 0.00 0.62 -6.69 0.07 2.86 -1.68 -3.42 114.93 106.68 2k3d h MET 79 Ca -0.00 -0.15 -0.53 0.00 -2.06 0.00 0.00 59.70 56.97 2k3d h MET 79 Cb 0.21 -0.08 0.05 0.00 0.06 0.00 0.00 31.60 31.84 2k3d h MET 79 CO 0.00 0.65 0.83 -0.06 1.06 0.00 0.00 176.91 179.39 2k3d s PHE 80 N -4.96 3.01 -0.11 -0.22 0.40 -0.74 -4.87 117.98 110.49 2k3d s PHE 80 Ca -0.08 0.82 0.07 0.00 -0.60 0.00 0.00 56.93 57.14 2k3d s PHE 80 Cb 0.15 -3.90 -0.10 0.00 0.51 0.00 0.00 43.02 39.68 2k3d s PHE 80 CO 0.78 -3.11 0.21 1.04 0.70 0.00 0.00 175.22 174.83 2k3d n GLN 81 N 3.05 1.55 -4.40 0.44 6.02 -1.25 -5.01 117.38 117.78 2k3d n GLN 81 Ca 0.10 -0.05 -0.27 0.00 -0.01 0.00 0.00 57.00 56.77 2k3d n GLN 81 Cb 0.39 -1.07 -0.12 0.00 1.02 0.00 0.00 30.24 30.46 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2k3d s GLU 82 N -2.26 1.59 0.77 -1.09 2.02 -1.26 -5.13 118.70 113.34 2k3d s GLU 82 Ca -0.01 -1.46 -0.13 0.00 0.02 0.00 0.00 54.97 53.40 2k3d s GLU 82 Cb 0.05 -1.91 0.06 0.00 0.10 0.00 0.00 34.13 32.44 2k3d s GLU 82 CO 0.30 0.41 1.14 -1.25 0.02 0.00 0.00 175.26 175.89 2k3d s PRO 83 N -2.61 2.01 0.37 0.39 0.04 -1.26 -4.97 135.00 128.97 2k3d s PRO 83 Ca 0.20 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 2k3d s PRO 83 Cb -0.08 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 2k3d s PRO 83 CO 0.10 -1.87 1.27 1.03 0.04 0.00 0.00 177.00 177.57 2k3d s ARG 84 N -4.40 4.17 0.02 4.56 0.52 -1.26 -5.03 118.95 117.53 2k3d s ARG 84 Ca 0.67 2.11 -0.02 0.00 -0.52 0.00 0.00 55.73 57.98 2k3d s ARG 84 Cb -0.23 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 2k3d s ARG 84 CO 0.51 -0.30 0.01 0.15 0.02 0.00 0.00 175.30 175.69 2k3d s LYS 85 N -2.02 0.37 0.77 3.54 1.02 -1.26 -5.15 119.74 117.01 2k3d s LYS 85 Ca 0.53 -0.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.82 2k3d s LYS 85 Cb -0.37 0.14 0.06 0.00 -0.52 0.00 0.00 37.83 37.14 2k3d s LYS 85 CO 0.49 -0.07 1.11 0.20 -0.92 0.00 0.00 175.35 176.16 2k3d s GLY 86 N -1.52 1.81 0.18 -3.33 0.00 -1.26 -4.85 107.32 98.34 2k3d s GLY 86 Ca -0.14 0.42 -0.13 0.00 0.00 0.00 0.00 44.72 44.86 2k3d s GLY 86 CO -0.01 0.78 1.83 -1.82 0.00 0.00 0.00 173.10 173.88 2k3d h TYR 87 N -1.00 0.75 -0.28 1.90 3.20 -1.96 -2.09 116.97 117.49 2k3d h TYR 87 Ca -0.44 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.35 2k3d h TYR 87 Cb 1.24 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2k3d h TYR 87 CO 0.55 0.49 -0.17 0.22 -1.64 0.00 0.00 178.16 177.61 2k3d h ASP 88 N 0.79 0.49 -0.04 -2.11 1.82 -1.99 -1.60 116.42 113.78 2k3d h ASP 88 Ca 0.21 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2k3d h ASP 88 Cb -0.06 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 39.82 2k3d h ASP 88 CO -0.04 0.68 0.02 -0.08 -1.61 0.00 0.00 179.24 178.21 2k3d h GLU 89 N 0.45 0.06 -0.42 0.28 4.57 -1.75 -0.57 114.58 117.20 2k3d h GLU 89 Ca 0.08 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 2k3d h GLU 89 Cb 0.56 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2k3d h GLU 89 CO 0.04 0.17 -0.15 -0.84 -1.18 0.00 0.00 179.01 177.05 2k3d h ILE 90 N -0.07 1.26 -0.49 2.32 3.07 -1.33 -0.78 117.51 121.49 2k3d h ILE 90 Ca 0.01 -1.23 -0.02 0.00 1.55 0.00 0.00 64.86 65.17 2k3d h ILE 90 Cb 0.13 1.10 -0.02 0.00 -0.27 0.00 0.00 36.82 37.76 2k3d h ILE 90 CO -0.00 0.42 0.23 0.25 -1.05 0.00 0.00 178.15 178.00 2k3d h LEU 91 N 0.71 0.65 -0.44 0.16 5.85 -1.05 -2.82 115.31 118.35 2k3d h LEU 91 Ca 0.11 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.53 2k3d h LEU 91 Cb 0.64 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2k3d h LEU 91 CO 0.05 0.60 -0.49 -0.33 -0.34 0.00 0.00 178.44 177.93 2k3d h GLU 92 N 0.65 0.75 -2.37 1.25 5.08 -0.93 -3.46 114.58 115.54 2k3d h GLU 92 Ca 0.17 -0.44 -0.25 0.00 -1.00 0.00 0.00 59.36 57.84 2k3d h GLU 92 Cb 0.13 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2k3d h GLU 92 CO -0.02 1.06 -0.27 1.58 -1.00 0.00 0.00 179.01 180.37 2k3d n HIS 93 N -4.01 -0.81 -1.22 4.33 -0.00 -0.32 -0.21 115.22 112.99 2k3d n HIS 93 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.59 2k3d n HIS 93 Cb 0.59 -2.60 -0.04 0.00 -0.00 0.00 0.00 29.99 27.93 2k3d n HIS 93 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k3d n HIS 94 N -2.45 -0.13 -3.38 1.57 -0.00 -1.26 -4.90 115.22 104.66 2k3d n HIS 94 Ca -0.13 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.66 2k3d n HIS 94 Cb 0.49 -2.49 -0.08 0.00 -0.12 0.00 0.00 29.99 27.79 2k3d n HIS 94 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k3d s HIS 95 N -1.80 3.31 0.24 1.57 5.65 0.71 -5.04 115.29 119.92 2k3d s HIS 95 Ca 0.00 0.52 -0.17 0.00 0.25 0.00 0.00 55.06 55.67 2k3d s HIS 95 Cb 0.00 -2.55 0.01 0.00 -1.18 0.00 0.00 32.58 28.86 2k3d s HIS 95 CO 0.00 -0.12 0.56 -1.58 -0.65 0.00 0.00 174.74 172.96 2k3d s HIS 96 N 1.69 0.05 0.39 3.88 5.04 -1.26 -4.98 115.29 120.11 2k3d s HIS 96 Ca 0.17 -0.44 -0.23 0.00 -1.54 0.00 0.00 55.06 53.02 2k3d s HIS 96 Cb -0.15 0.41 -0.10 0.00 0.04 0.00 0.00 32.58 32.77 2k3d s HIS 96 CO 0.09 -1.04 0.97 -1.01 -2.34 0.00 0.00 174.74 171.40 2k3d s HIS 97 N -3.95 3.42 0.00 3.88 3.76 -1.26 -5.27 115.29 115.87 2k3d s HIS 97 Ca 0.15 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.73 2k3d s HIS 97 Cb -0.02 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.73 2k3d s HIS 97 CO 0.05 -0.12 0.00 0.72 -0.85 0.00 0.00 174.74 174.54