#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3d n PHE 13 N 0.00 0.35 -0.14 0.00 1.16 -1.26 -2.08 117.46 115.49 2k3d n PHE 13 Ca 0.00 0.16 -0.05 0.00 -1.87 0.00 0.00 57.45 55.69 2k3d n PHE 13 Cb 0.00 -0.75 0.15 0.00 -1.61 0.00 0.00 39.48 37.27 2k3d n PHE 13 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 2k3d h PHE 14 N 0.00 0.91 -0.74 2.97 0.04 -2.06 -2.27 116.94 115.79 2k3d h PHE 14 Ca 0.00 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.62 2k3d h PHE 14 Cb 0.16 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 2k3d h PHE 14 CO 0.00 0.80 0.32 -0.91 -0.60 0.00 0.00 178.31 177.93 2k3d h ASN 15 N 0.81 1.00 -0.64 2.17 2.35 -1.86 -1.51 115.58 117.91 2k3d h ASN 15 Ca 0.16 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 2k3d h ASN 15 Cb 0.41 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2k3d h ASN 15 CO 0.01 0.88 0.06 -0.33 -1.65 0.00 0.00 177.43 176.40 2k3d h GLU 16 N 1.06 1.09 -0.58 0.81 4.39 -1.62 -1.95 114.58 117.79 2k3d h GLU 16 Ca 0.25 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 2k3d h GLU 16 Cb 0.17 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2k3d h GLU 16 CO -0.03 1.03 0.09 0.37 -1.16 0.00 0.00 179.01 179.32 2k3d h GLN 17 N 1.00 0.96 -0.71 2.33 -0.00 -1.06 -2.36 115.11 115.27 2k3d h GLN 17 Ca 0.19 -0.26 -0.05 0.00 -0.00 0.00 0.00 58.65 58.53 2k3d h GLN 17 Cb 0.50 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.84 2k3d h GLN 17 CO 0.02 0.91 0.24 0.87 0.00 0.00 0.00 178.83 180.88 2k3d h LYS 18 N 0.86 1.10 -0.63 1.69 1.57 -1.09 -2.09 116.57 117.98 2k3d h LYS 18 Ca 0.18 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2k3d h LYS 18 Cb 0.42 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2k3d h LYS 18 CO 0.01 0.93 0.37 1.49 -0.57 0.00 0.00 179.45 181.68 2k3d h GLU 19 N 1.04 0.86 -0.58 3.15 4.81 -1.09 -0.17 114.58 122.60 2k3d h GLU 19 Ca 0.23 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2k3d h GLU 19 Cb 0.27 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2k3d h GLU 19 CO -0.01 0.63 0.21 0.87 -0.73 0.00 0.00 179.01 179.98 2k3d h LYS 20 N 0.85 0.88 -0.47 1.92 1.57 -1.13 -1.48 116.57 118.71 2k3d h LYS 20 Ca 0.22 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2k3d h LYS 20 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2k3d h LYS 20 CO -0.04 0.77 0.06 0.28 -0.57 0.00 0.00 179.45 179.94 2k3d h VAL 21 N 0.80 1.25 -0.55 0.50 2.07 -1.03 -1.71 116.25 117.59 2k3d h VAL 21 Ca 0.19 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2k3d h VAL 21 Cb 0.23 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2k3d h VAL 21 CO -0.01 0.33 0.34 0.74 0.02 0.00 0.00 177.57 178.99 2k3d h THR 22 N 0.65 1.16 -0.61 2.57 2.02 -0.80 -1.51 112.91 116.39 2k3d h THR 22 Ca 0.14 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2k3d h THR 22 Cb 0.42 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2k3d h THR 22 CO 0.01 0.16 0.21 0.25 0.37 0.00 0.00 175.52 176.53 2k3d h LEU 23 N 0.74 0.87 -0.52 2.58 5.85 -1.11 -2.47 115.31 121.25 2k3d h LEU 23 Ca 0.20 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k3d h LEU 23 Cb -0.03 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2k3d h LEU 23 CO -0.04 0.83 0.32 0.22 -0.34 0.00 0.00 178.44 179.43 2k3d h TYR 24 N 0.86 0.68 -0.64 1.25 3.20 -0.89 -2.54 116.97 118.90 2k3d h TYR 24 Ca 0.20 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2k3d h TYR 24 Cb 0.25 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2k3d h TYR 24 CO 0.02 0.47 0.23 -0.07 -1.64 0.00 0.00 178.16 177.16 2k3d h LEU 25 N 0.70 0.91 -0.87 2.82 3.38 -1.09 -2.37 115.31 118.79 2k3d h LEU 25 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k3d h LEU 25 Cb -0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2k3d h LEU 25 CO -0.04 0.85 0.51 0.11 0.09 0.00 0.00 178.44 179.96 2k3d h LYS 26 N 0.91 1.19 -0.51 1.13 1.57 -1.20 1.53 116.57 121.20 2k3d h LYS 26 Ca 0.21 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2k3d h LYS 26 Cb 0.25 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2k3d h LYS 26 CO -0.01 0.85 -0.10 0.45 -0.57 0.00 0.00 179.45 180.07 2k3d h HIS 27 N 1.20 1.04 -0.01 -1.35 3.86 -1.22 -2.71 115.15 115.96 2k3d h HIS 27 Ca 0.31 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2k3d h HIS 27 Cb -0.02 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.19 2k3d h HIS 27 CO 0.00 0.98 -0.46 0.09 0.86 0.00 0.00 177.93 179.41 2k3d n ASN 28 N -4.15 0.96 -3.34 2.45 3.02 -0.91 -4.56 115.26 108.72 2k3d n ASN 28 Ca 0.02 -0.76 -0.25 0.00 -0.03 0.00 0.00 54.58 53.56 2k3d n ASN 28 Cb 0.39 0.32 -0.09 0.00 -0.61 0.00 0.00 39.78 39.78 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 -2.73 0.15 0.56 2.41 1.01 0.52 -2.35 121.20 120.77 2k3d s ILE 29 Ca 0.17 -2.30 0.24 0.00 0.00 0.00 0.00 60.65 58.77 2k3d s ILE 29 Cb 0.18 -1.09 0.34 0.00 0.01 0.00 0.00 42.46 41.90 2k3d s ILE 29 CO 0.63 -1.07 2.12 -0.65 0.00 0.00 0.00 174.94 175.97 2k3d h PRO 30 N 5.83 0.00 -0.11 2.79 0.11 -1.71 0.20 132.00 139.11 2k3d h PRO 30 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2k3d h PRO 30 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2k3d h PRO 30 CO 0.32 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.86 2k3d n ASP 31 N -4.14 0.57 -4.68 -2.05 8.00 -1.26 -4.89 116.55 108.10 2k3d n ASP 31 Ca 0.01 -2.00 -0.45 0.00 0.71 0.00 0.00 54.79 53.06 2k3d n ASP 31 Cb 0.28 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.19 2.35 -0.01 1.24 -0.00 0.71 -4.92 117.46 116.64 2k3d n PHE 32 Ca 0.04 0.24 -0.01 0.00 -0.00 0.00 0.00 57.45 57.72 2k3d n PHE 32 Cb 0.09 -2.56 -0.00 0.00 -0.00 0.00 0.00 39.48 37.01 2k3d n PHE 32 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2k3d n ASN 33 N 3.39 0.24 -3.93 -2.13 3.02 -1.26 -5.05 115.26 109.53 2k3d n ASN 33 Ca 0.16 0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.66 2k3d n ASN 33 Cb 0.30 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 2k3d n ASN 33 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k3d s THR 34 N -1.23 0.02 -0.02 3.41 -1.32 -1.26 -4.96 115.64 110.27 2k3d s THR 34 Ca -0.04 -1.26 0.04 0.00 -1.21 0.00 0.00 61.69 59.22 2k3d s THR 34 Cb 0.00 -2.01 -0.01 0.00 -1.51 0.00 0.00 72.50 68.97 2k3d s THR 34 CO 0.05 -0.07 -0.14 0.54 -2.21 0.00 0.00 174.62 172.80 2k3d s VAL 35 N -3.98 1.12 -0.11 5.08 0.11 -1.26 -1.91 120.40 119.44 2k3d s VAL 35 Ca 0.18 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.67 2k3d s VAL 35 Cb -0.00 -0.95 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2k3d s VAL 35 CO 0.05 0.32 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.10 2k3d s THR 36 N -0.15 1.51 -0.28 5.04 2.01 -0.42 -5.01 115.64 118.34 2k3d s THR 36 Ca 0.02 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.29 2k3d s THR 36 Cb -0.07 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 2k3d s THR 36 CO 0.00 0.44 0.12 -0.36 -0.69 0.00 0.00 174.62 174.14 2k3d s PHE 37 N 1.05 3.14 0.00 4.92 0.08 -1.26 -2.51 117.98 123.41 2k3d s PHE 37 Ca -0.05 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.62 2k3d s PHE 37 Cb -0.15 -2.30 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 2k3d s PHE 37 CO -0.03 -0.36 0.90 -2.37 -0.10 0.00 0.00 175.22 173.27 2k3d n THR 38 N 4.97 0.00 -3.34 0.64 5.66 -1.26 -5.02 114.28 115.93 2k3d n THR 38 Ca -0.15 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.75 2k3d n THR 38 Cb 0.51 0.53 -0.08 0.00 -1.55 0.00 0.00 70.33 69.74 2k3d n THR 38 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2k3d s ASN 39 N -0.81 0.40 -0.00 1.09 3.84 -1.17 -5.06 114.94 113.22 2k3d s ASN 39 Ca 0.00 -0.01 0.04 0.00 0.21 0.00 0.00 52.86 53.10 2k3d s ASN 39 Cb 0.00 1.06 -0.01 0.00 -0.55 0.00 0.00 41.25 41.75 2k3d s ASN 39 CO 0.00 -0.32 -0.12 -1.83 -2.79 0.00 0.00 177.10 172.04 2k3d s GLU 40 N 2.53 0.96 0.08 0.43 -1.05 -1.26 -0.79 118.70 119.59 2k3d s GLU 40 Ca 0.12 -0.46 0.02 0.00 -0.15 0.00 0.00 54.97 54.50 2k3d s GLU 40 Cb -0.15 -0.93 -0.04 0.00 -0.44 0.00 0.00 34.13 32.58 2k3d s GLU 40 CO -0.21 0.25 -0.07 -1.21 0.95 0.00 0.00 175.26 174.97 2k3d s GLU 41 N -0.37 0.73 -0.24 -4.83 2.02 -0.55 -5.02 118.70 110.44 2k3d s GLU 41 Ca 0.04 -1.13 -0.13 0.00 0.02 0.00 0.00 54.97 53.78 2k3d s GLU 41 Cb -0.05 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 2k3d s GLU 41 CO -0.00 0.01 0.27 -0.59 0.02 0.00 0.00 175.26 174.96 2k3d s PHE 42 N -2.80 3.30 0.21 1.61 -0.71 -1.26 -0.82 117.98 117.50 2k3d s PHE 42 Ca 0.04 0.35 -0.02 0.00 -1.04 0.00 0.00 56.93 56.26 2k3d s PHE 42 Cb -0.00 -2.41 -0.05 0.00 -1.21 0.00 0.00 43.02 39.35 2k3d s PHE 42 CO -0.03 -0.05 0.41 -0.80 -1.34 0.00 0.00 175.22 173.42 2k3d s ASN 43 N 1.27 6.41 0.54 1.98 0.02 0.12 -4.87 114.94 120.40 2k3d s ASN 43 Ca 0.12 0.47 0.31 0.00 -1.02 0.00 0.00 52.86 52.74 2k3d s ASN 43 Cb -0.15 -2.04 1.50 0.00 0.02 0.00 0.00 41.25 40.58 2k3d s ASN 43 CO 0.07 -0.05 2.06 1.55 0.02 0.00 0.00 177.10 180.75 2k3d h PRO 44 N 2.06 0.00 -0.02 -0.60 0.13 -1.98 -2.09 132.00 129.51 2k3d h PRO 44 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k3d h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k3d h PRO 44 CO 0.68 0.09 -0.34 0.44 -0.23 0.00 0.00 178.00 178.64 2k3d n ILE 45 N -3.36 0.00 0.00 -3.56 -5.35 -1.26 -5.05 119.36 100.78 2k3d n ILE 45 Ca -0.01 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2k3d n ILE 45 Cb 0.26 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 2k3d n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k3d n GLY 46 N 1.30 -0.56 3.32 3.28 0.00 -0.78 -5.02 105.19 106.72 2k3d n GLY 46 Ca 0.09 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.55 1.59 -0.03 -0.61 -4.36 -1.26 0.13 121.20 115.10 2k3d s ILE 47 Ca 0.00 -2.15 0.05 0.00 -0.26 0.00 0.00 60.65 58.29 2k3d s ILE 47 Cb 0.00 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 2k3d s ILE 47 CO 0.00 -0.61 -0.17 -0.94 0.24 0.00 0.00 174.94 173.45 2k3d s SER 48 N -3.22 2.13 -0.08 4.36 1.04 -0.00 -1.26 113.70 116.67 2k3d s SER 48 Ca 0.20 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.33 2k3d s SER 48 Cb -0.00 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.67 2k3d s SER 48 CO 0.05 0.18 -0.18 -0.63 0.98 0.00 0.00 173.24 173.64 2k3d s ILE 49 N -0.14 1.54 -0.02 -1.02 1.01 0.10 -1.48 121.20 121.20 2k3d s ILE 49 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2k3d s ILE 49 Cb -0.10 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 2k3d s ILE 49 CO 0.01 0.44 -0.12 -0.62 0.00 0.00 0.00 174.94 174.66 2k3d s ASP 50 N 0.46 1.45 0.00 3.58 2.15 0.03 -0.82 116.67 123.51 2k3d s ASP 50 Ca -0.15 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.60 2k3d s ASP 50 Cb -0.16 -0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.16 2k3d s ASP 50 CO 0.06 0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.78 2k3d n GLY 51 N 3.05 2.18 3.39 2.66 0.00 -0.83 -3.06 105.19 112.58 2k3d n GLY 51 Ca -0.16 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.97 0.50 0.27 1.61 -0.85 -1.04 -0.91 117.35 113.96 2k3d s TYR 52 Ca 0.00 -0.84 0.11 0.00 -0.52 0.00 0.00 57.07 55.82 2k3d s TYR 52 Cb 0.00 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.23 2k3d s TYR 52 CO 0.00 -0.79 -0.18 0.96 -1.52 0.00 0.00 175.55 174.02 2k3d s ILE 53 N -4.01 2.32 -1.58 -3.49 -4.36 -0.95 -1.30 121.20 107.84 2k3d s ILE 53 Ca 0.22 -2.36 -0.03 0.00 -0.26 0.00 0.00 60.65 58.22 2k3d s ILE 53 Cb 0.03 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.46 2k3d s ILE 53 CO 0.05 -0.42 0.39 0.59 0.24 0.00 0.00 174.94 175.79 2k3d n ASN 54 N -0.59 -5.77 -2.40 4.36 4.13 -0.80 -1.81 115.26 112.37 2k3d n ASN 54 Ca -0.05 -0.19 -0.07 0.00 1.68 0.00 0.00 54.58 55.95 2k3d n ASN 54 Cb 0.60 -4.72 -0.00 0.00 -1.54 0.00 0.00 39.78 34.12 2k3d n ASN 54 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2k3d n ASN 55 N -2.32 -2.55 -4.30 6.41 5.03 -1.26 -4.88 115.26 111.39 2k3d n ASN 55 Ca -0.15 0.32 -0.38 0.00 0.87 0.00 0.00 54.58 55.25 2k3d n ASN 55 Cb 0.63 -2.25 -0.12 0.00 -1.02 0.00 0.00 39.78 37.02 2k3d n ASN 55 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2k3d s ASP 56 N -1.99 5.23 0.41 6.41 -1.08 -0.75 -4.96 116.67 119.93 2k3d s ASP 56 Ca 0.00 -0.99 0.09 0.00 -0.52 0.00 0.00 52.55 51.13 2k3d s ASP 56 Cb 0.00 -1.87 0.88 0.00 -1.46 0.00 0.00 42.92 40.48 2k3d s ASP 56 CO 0.00 -0.28 2.02 0.11 0.52 0.00 0.00 175.17 177.55 2k3d h LYS 57 N 8.22 0.53 -0.82 4.34 1.57 -1.90 -1.20 116.57 127.32 2k3d h LYS 57 Ca -0.26 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 2k3d h LYS 57 Cb 1.10 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 2k3d h LYS 57 CO 0.60 0.35 0.43 -0.91 -0.57 0.00 0.00 179.45 179.36 2k3d h ASN 58 N 0.55 1.03 -0.59 0.86 2.35 -1.95 -3.26 115.58 114.58 2k3d h ASN 58 Ca 0.21 -0.10 -0.71 0.00 -0.55 0.00 0.00 56.30 55.15 2k3d h ASN 58 Cb 0.14 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.17 2k3d h ASN 58 CO -0.05 0.84 2.59 0.18 -1.65 0.00 0.00 177.43 179.34 2k3d n LEU 59 N -4.33 6.12 -4.94 1.61 4.77 -0.45 -4.75 117.00 115.02 2k3d n LEU 59 Ca 0.08 -4.15 -0.25 0.00 -0.03 0.00 0.00 56.01 51.67 2k3d n LEU 59 Cb 0.11 -1.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.51 2k3d n LEU 59 CO 0.39 0.81 -0.09 -0.44 -1.33 0.00 0.00 177.39 176.73 2k3d s SER 60 N 3.22 6.25 0.04 -1.43 0.01 -1.23 -2.23 113.70 118.33 2k3d s SER 60 Ca 0.48 0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.70 2k3d s SER 60 Cb 0.09 -1.85 0.03 0.00 0.21 0.00 0.00 66.02 64.50 2k3d s SER 60 CO -0.02 0.02 0.34 0.72 0.41 0.00 0.00 173.24 174.71 2k3d s PHE 61 N -1.82 -0.16 -0.04 2.43 -0.12 -0.09 -2.43 117.98 115.75 2k3d s PHE 61 Ca 0.34 0.07 0.02 0.00 -0.05 0.00 0.00 56.93 57.32 2k3d s PHE 61 Cb -0.10 0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.43 2k3d s PHE 61 CO 0.28 -0.52 -0.09 0.99 -0.05 0.00 0.00 175.22 175.83 2k3d s THR 62 N -2.45 0.84 0.02 -4.49 2.01 -0.01 -1.96 115.64 109.60 2k3d s THR 62 Ca -0.06 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2k3d s THR 62 Cb -0.01 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2k3d s THR 62 CO -0.02 0.28 -0.06 0.00 -0.69 0.00 0.00 174.62 174.12 2k3d s ALA 63 N 0.50 0.50 0.69 7.40 0.00 -0.00 -0.93 121.76 129.91 2k3d s ALA 63 Ca -0.09 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2k3d s ALA 63 Cb -0.12 -0.04 0.13 0.00 0.00 0.00 0.00 23.12 23.08 2k3d s ALA 63 CO 0.01 0.05 0.95 0.20 0.00 0.00 0.00 175.76 176.97 2k3d s GLY 64 N -0.79 1.73 0.17 0.00 0.00 -0.98 -0.72 107.32 106.73 2k3d s GLY 64 Ca -0.03 -1.97 -0.34 0.00 0.00 0.00 0.00 44.72 42.38 2k3d s GLY 64 CO 0.00 -1.39 1.37 1.17 0.00 0.00 0.00 173.10 174.24 2k3d n LYS 65 N -2.68 1.62 -3.53 2.90 4.81 -0.39 -0.98 118.16 119.92 2k3d n LYS 65 Ca 0.16 0.58 -0.26 0.00 -0.87 0.00 0.00 58.31 57.93 2k3d n LYS 65 Cb 0.61 -2.22 0.04 0.00 0.02 0.00 0.00 35.03 33.48 2k3d n LYS 65 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2k3d n ASP 66 N 2.49 -5.39 0.00 3.14 -0.08 -1.26 -4.41 116.55 111.04 2k3d n ASP 66 Ca 0.15 -0.54 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 2k3d n ASP 66 Cb 0.26 -4.32 0.00 0.00 2.34 0.00 0.00 41.12 39.40 2k3d n ASP 66 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2k3d n VAL 67 N -4.62 0.00 0.00 5.18 0.31 -0.15 -4.76 118.33 114.29 2k3d n VAL 67 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2k3d n VAL 67 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2k3d n VAL 67 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2k3d n LYS 68 N 0.00 0.00 -3.82 5.55 0.00 -1.26 -3.48 118.16 115.15 2k3d n LYS 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.95 2k3d n LYS 68 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 2k3d n LYS 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2k3d s ILE 69 N 0.00 4.39 -0.04 3.15 1.01 -1.26 -4.93 121.20 123.52 2k3d s ILE 69 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2k3d s ILE 69 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2k3d s ILE 69 CO 0.00 0.36 -0.14 0.12 0.00 0.00 0.00 174.94 175.28 2k3d s PHE 70 N 1.39 1.44 0.00 3.97 5.36 -1.26 -2.31 117.98 126.58 2k3d s PHE 70 Ca 0.05 -0.44 0.03 0.00 -0.96 0.00 0.00 56.93 55.62 2k3d s PHE 70 Cb -0.15 -1.00 -0.01 0.00 -0.34 0.00 0.00 43.02 41.52 2k3d s PHE 70 CO 0.04 -0.18 -0.11 0.45 -1.46 0.00 0.00 175.22 173.96 2k3d s SER 71 N 0.25 1.26 0.04 6.13 0.15 -0.11 -4.99 113.70 116.44 2k3d s SER 71 Ca -0.07 -0.26 -0.00 0.00 0.70 0.00 0.00 55.95 56.32 2k3d s SER 71 Cb -0.12 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 2k3d s SER 71 CO 0.02 0.09 -0.04 -0.94 1.20 0.00 0.00 173.24 173.57 2k3d s SER 72 N -0.50 0.48 1.03 5.45 1.04 -1.26 -0.83 113.70 119.11 2k3d s SER 72 Ca 0.03 -0.81 -0.13 0.00 0.48 0.00 0.00 55.95 55.52 2k3d s SER 72 Cb -0.05 0.15 0.21 0.00 0.10 0.00 0.00 66.02 66.43 2k3d s SER 72 CO -0.00 -0.47 1.09 -0.94 0.98 0.00 0.00 173.24 173.90 2k3d s SER 73 N -2.37 2.31 0.15 7.02 1.04 -1.02 -4.63 113.70 116.19 2k3d s SER 73 Ca -0.01 1.18 -0.17 0.00 0.48 0.00 0.00 55.95 57.43 2k3d s SER 73 Cb 0.01 -1.86 0.01 0.00 0.10 0.00 0.00 66.02 64.28 2k3d s SER 73 CO -0.06 -3.33 1.80 -0.33 0.98 0.00 0.00 173.24 172.30 2k3d h GLU 74 N -2.03 0.45 -0.29 4.02 5.08 -1.94 0.41 114.58 120.29 2k3d h GLU 74 Ca -0.56 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 2k3d h GLU 74 Cb 1.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2k3d h GLU 74 CO 0.57 0.30 0.04 0.93 -1.00 0.00 0.00 179.01 179.85 2k3d h GLU 75 N 0.47 0.48 -0.57 2.33 3.07 -1.92 -2.36 114.58 116.08 2k3d h GLU 75 Ca 0.14 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2k3d h GLU 75 Cb -0.03 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 2k3d h GLU 75 CO -0.05 0.60 0.02 1.25 -1.40 0.00 0.00 179.01 179.44 2k3d h LEU 76 N 0.30 0.94 -1.29 1.33 5.85 -1.80 -2.68 115.31 117.96 2k3d h LEU 76 Ca 0.09 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2k3d h LEU 76 Cb 0.35 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2k3d h LEU 76 CO 0.01 0.98 0.28 -0.78 -0.34 0.00 0.00 178.44 178.59 2k3d h ASP 77 N 0.90 0.68 0.62 1.25 3.58 -0.00 -0.72 116.42 122.73 2k3d h ASP 77 Ca 0.17 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2k3d h ASP 77 Cb 0.49 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2k3d h ASP 77 CO 0.02 0.57 0.00 0.29 -2.88 0.00 0.00 179.24 177.25 2k3d n LYS 78 N -4.38 0.16 0.00 0.28 5.02 -0.90 -1.75 118.16 116.59 2k3d n LYS 78 Ca 0.05 0.42 0.14 0.00 -2.02 0.00 0.00 58.31 56.90 2k3d n LYS 78 Cb 0.12 -1.82 0.56 0.00 -0.02 0.00 0.00 35.03 33.86 2k3d n LYS 78 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2k3d n MET 79 N -2.12 0.08 -2.39 1.97 2.81 -0.28 -4.82 117.12 112.36 2k3d n MET 79 Ca 0.02 -0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.49 2k3d n MET 79 Cb 0.20 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 2k3d n MET 79 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2k3d s PHE 80 N -2.93 3.45 -0.23 2.03 0.40 -0.72 -4.67 117.98 115.32 2k3d s PHE 80 Ca 0.15 1.52 0.06 0.00 -0.60 0.00 0.00 56.93 58.06 2k3d s PHE 80 Cb 0.19 -3.40 -0.07 0.00 0.51 0.00 0.00 43.02 40.26 2k3d s PHE 80 CO 0.55 -1.02 0.22 1.04 0.70 0.00 0.00 175.22 176.72 2k3d n GLN 81 N 1.94 4.45 -4.28 0.44 6.02 -0.99 -5.01 117.38 119.94 2k3d n GLN 81 Ca 0.02 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.80 2k3d n GLN 81 Cb 0.44 -0.82 -0.12 0.00 1.02 0.00 0.00 30.24 30.77 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 -1.65 1.11 0.70 -1.09 0.41 -1.26 -5.12 118.70 111.80 2k3d s GLU 82 Ca 0.02 -1.25 -0.16 0.00 -0.41 0.00 0.00 54.97 53.16 2k3d s GLU 82 Cb 0.04 -1.15 0.01 0.00 -1.78 0.00 0.00 34.13 31.26 2k3d s GLU 82 CO 0.23 0.24 1.18 -2.30 -0.49 0.00 0.00 175.26 174.12 2k3d n PRO 83 N 0.64 0.74 -2.08 0.39 -0.02 -1.26 -4.93 135.00 128.47 2k3d n PRO 83 Ca -0.16 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 2k3d n PRO 83 Cb 0.56 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 2k3d n PRO 83 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2k3d s ARG 84 N -3.51 4.32 0.17 -0.52 1.81 -1.26 -5.02 118.95 114.95 2k3d s ARG 84 Ca 0.78 2.25 -0.07 0.00 -1.72 0.00 0.00 55.73 56.97 2k3d s ARG 84 Cb -0.35 -3.08 -0.02 0.00 -0.45 0.00 0.00 34.95 31.05 2k3d s ARG 84 CO 0.45 -0.26 0.25 0.15 -0.68 0.00 0.00 175.30 175.21 2k3d s LYS 85 N -1.45 1.16 0.72 3.54 1.02 -1.26 -5.14 119.74 118.33 2k3d s LYS 85 Ca 0.52 -1.28 -0.10 0.00 0.02 0.00 0.00 55.97 55.13 2k3d s LYS 85 Cb -0.40 0.35 0.05 0.00 -0.52 0.00 0.00 37.83 37.31 2k3d s LYS 85 CO 0.51 -0.41 1.07 0.20 -0.92 0.00 0.00 175.35 175.80 2k3d s GLY 86 N -3.01 1.63 0.14 -3.33 0.00 -1.26 -4.88 107.32 96.61 2k3d s GLY 86 Ca 0.21 -0.65 -0.16 0.00 0.00 0.00 0.00 44.72 44.12 2k3d s GLY 86 CO 0.03 -0.24 1.73 -1.82 0.00 0.00 0.00 173.10 172.79 2k3d h TYR 87 N -0.71 0.56 0.00 1.90 3.20 -1.95 -1.77 116.97 118.20 2k3d h TYR 87 Ca -0.45 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.29 2k3d h TYR 87 Cb 1.30 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 2k3d h TYR 87 CO 0.39 0.45 -0.49 -0.44 -1.64 0.00 0.00 178.16 176.43 2k3d h ASP 88 N 0.50 0.00 -0.31 -2.11 3.32 -1.94 -2.68 116.42 113.21 2k3d h ASP 88 Ca 0.14 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2k3d h ASP 88 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2k3d h ASP 88 CO -0.02 0.49 0.04 -0.33 -1.72 0.00 0.00 179.24 177.70 2k3d h GLU 89 N 0.00 0.52 -0.17 3.56 5.08 -1.78 -2.32 114.58 119.48 2k3d h GLU 89 Ca -0.00 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 2k3d h GLU 89 Cb 0.91 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2k3d h GLU 89 CO 0.06 0.63 -0.34 -0.84 -1.00 0.00 0.00 179.01 177.53 2k3d h ILE 90 N 0.34 1.28 -0.61 3.13 3.07 -1.26 -0.32 117.51 123.14 2k3d h ILE 90 Ca 0.09 -1.38 -0.07 0.00 1.55 0.00 0.00 64.86 65.05 2k3d h ILE 90 Cb 0.37 1.52 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 2k3d h ILE 90 CO 0.01 0.42 0.11 -0.07 -1.05 0.00 0.00 178.15 177.57 2k3d h LEU 91 N 0.30 0.95 0.00 0.16 3.38 -1.25 -2.76 115.31 116.09 2k3d h LEU 91 Ca 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2k3d h LEU 91 Cb 0.74 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2k3d h LEU 91 CO 0.06 0.96 -0.46 -1.84 0.09 0.00 0.00 178.44 177.25 2k3d n GLU 92 N -4.31 0.18 -1.51 1.13 0.28 -0.89 -4.32 120.64 111.20 2k3d n GLU 92 Ca 0.03 0.07 -0.23 0.00 -0.16 0.00 0.00 57.16 56.87 2k3d n GLU 92 Cb 0.27 -1.63 -0.19 0.00 1.43 0.00 0.00 31.44 31.32 2k3d n GLU 92 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2k3d n HIS 93 N -1.91 0.32 -0.97 -1.84 -0.00 -0.14 -1.84 115.22 108.83 2k3d n HIS 93 Ca 0.04 0.04 -0.02 0.00 0.46 0.00 0.00 57.72 58.25 2k3d n HIS 93 Cb 0.40 -1.16 -0.01 0.00 -0.12 0.00 0.00 29.99 29.10 2k3d n HIS 93 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k3d n HIS 94 N 8.77 -0.85 -0.19 1.57 8.25 -1.26 -4.69 115.22 126.82 2k3d n HIS 94 Ca 0.63 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 58.00 2k3d n HIS 94 Cb 0.19 -1.16 0.01 0.00 1.12 0.00 0.00 29.99 30.16 2k3d n HIS 94 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k3d h HIS 95 N 0.00 1.06 -0.46 4.41 6.17 -1.56 -0.32 115.15 124.45 2k3d h HIS 95 Ca -0.03 -0.18 -0.01 0.00 0.71 0.00 0.00 60.37 60.86 2k3d h HIS 95 Cb 0.11 -0.27 -0.02 0.00 2.52 0.00 0.00 27.41 29.74 2k3d h HIS 95 CO 0.05 0.96 0.26 1.25 0.71 0.00 0.00 177.93 181.16 2k3d h HIS 96 N 0.85 0.61 -0.54 5.26 6.17 -1.84 -2.51 115.15 123.15 2k3d h HIS 96 Ca 0.15 -0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.12 2k3d h HIS 96 Cb 0.54 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.25 2k3d h HIS 96 CO 0.04 0.45 -0.08 0.45 0.71 0.00 0.00 177.93 179.50 2k3d h HIS 97 N 0.60 1.10 0.00 5.26 3.86 -1.88 -3.55 115.15 120.55 2k3d h HIS 97 Ca 0.16 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2k3d h HIS 97 Cb 0.02 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.21 2k3d h HIS 97 CO -0.03 1.01 0.00 1.58 0.86 0.00 0.00 177.93 181.36