#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 0.91 -0.65 0.00 0.04 -2.06 -2.08 116.94 113.11 2k3d h PHE 13 Ca 0.00 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2k3d h PHE 13 Cb 0.00 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 2k3d h PHE 13 CO 0.00 0.71 0.28 0.74 -0.60 0.00 0.00 178.31 179.44 2k3d h PHE 14 N 0.85 0.96 -0.77 -0.55 0.04 -2.02 -1.46 116.94 113.99 2k3d h PHE 14 Ca 0.21 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 2k3d h PHE 14 Cb 0.16 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 2k3d h PHE 14 CO 0.01 0.74 0.31 -0.91 -0.60 0.00 0.00 178.31 177.86 2k3d h ASN 15 N 0.90 1.06 -0.47 2.17 2.35 -1.94 -1.78 115.58 117.87 2k3d h ASN 15 Ca 0.22 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 2k3d h ASN 15 Cb 0.17 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2k3d h ASN 15 CO -0.02 0.94 -0.15 -0.33 -1.65 0.00 0.00 177.43 176.22 2k3d h GLU 16 N 1.11 0.96 -0.77 0.81 5.08 -1.07 -2.35 114.58 118.36 2k3d h GLU 16 Ca 0.26 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2k3d h GLU 16 Cb 0.21 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2k3d h GLU 16 CO -0.02 1.04 0.29 1.96 -1.00 0.00 0.00 179.01 181.28 2k3d h GLN 17 N 0.85 1.16 -0.66 2.33 4.20 -0.92 -1.59 115.11 120.48 2k3d h GLN 17 Ca 0.13 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2k3d h GLN 17 Cb 0.70 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2k3d h GLN 17 CO 0.05 0.95 0.30 0.87 -0.67 0.00 0.00 178.83 180.34 2k3d h LYS 18 N 1.13 0.97 -0.56 1.46 1.57 -1.09 -1.48 116.57 118.57 2k3d h LYS 18 Ca 0.26 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2k3d h LYS 18 Cb 0.24 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2k3d h LYS 18 CO -0.02 0.78 -0.08 1.49 -0.57 0.00 0.00 179.45 181.05 2k3d h GLU 19 N 0.92 1.03 -0.50 3.15 4.57 -1.05 -1.18 114.58 121.53 2k3d h GLU 19 Ca 0.23 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 2k3d h GLU 19 Cb 0.15 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2k3d h GLU 19 CO -0.03 1.06 0.17 0.87 -1.18 0.00 0.00 179.01 179.90 2k3d h LYS 20 N 0.93 0.76 -0.48 1.92 1.57 -0.99 -1.72 116.57 118.56 2k3d h LYS 20 Ca 0.15 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2k3d h LYS 20 Cb 0.64 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2k3d h LYS 20 CO 0.04 0.71 0.06 0.28 -0.57 0.00 0.00 179.45 179.97 2k3d h VAL 21 N 0.67 1.25 -0.49 0.50 2.07 -1.12 -1.02 116.25 118.12 2k3d h VAL 21 Ca 0.16 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2k3d h VAL 21 Cb 0.25 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2k3d h VAL 21 CO -0.01 0.33 0.32 0.74 0.02 0.00 0.00 177.57 178.97 2k3d h THR 22 N 0.67 1.11 -0.58 2.57 2.02 -1.00 0.26 112.91 117.95 2k3d h THR 22 Ca 0.14 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2k3d h THR 22 Cb 0.41 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2k3d h THR 22 CO 0.01 0.12 0.19 0.25 0.37 0.00 0.00 175.52 176.46 2k3d h LEU 23 N 0.64 0.85 -0.27 2.58 5.85 -1.15 0.11 115.31 123.91 2k3d h LEU 23 Ca 0.18 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2k3d h LEU 23 Cb -0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2k3d h LEU 23 CO -0.05 0.83 0.14 0.22 -0.34 0.00 0.00 178.44 179.24 2k3d h TYR 24 N 0.82 0.38 -0.66 1.25 3.20 -0.53 -1.51 116.97 119.93 2k3d h TYR 24 Ca 0.19 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2k3d h TYR 24 Cb 0.28 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 2k3d h TYR 24 CO 0.02 0.33 0.13 -0.07 -1.64 0.00 0.00 178.16 176.93 2k3d h LEU 25 N 0.32 1.01 -0.54 2.82 3.38 -0.22 -1.16 115.31 120.92 2k3d h LEU 25 Ca 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2k3d h LEU 25 Cb 0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2k3d h LEU 25 CO -0.01 0.99 0.33 0.50 0.09 0.00 0.00 178.44 180.34 2k3d h LYS 26 N 1.01 0.73 -0.35 1.13 3.64 -0.44 0.16 116.57 122.44 2k3d h LYS 26 Ca 0.21 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 2k3d h LYS 26 Cb 0.39 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2k3d h LYS 26 CO 0.01 0.52 -0.25 0.45 -2.27 0.00 0.00 179.45 177.91 2k3d h HIS 27 N 0.73 0.92 -0.60 1.91 3.86 -1.05 -3.13 115.15 117.79 2k3d h HIS 27 Ca 0.19 -0.25 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 2k3d h HIS 27 Cb -0.03 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2k3d h HIS 27 CO -0.03 1.01 0.11 -0.91 0.86 0.00 0.00 177.93 178.97 2k3d h ASN 28 N 0.57 0.94 -3.52 2.45 2.35 -0.94 -3.40 115.58 114.03 2k3d h ASN 28 Ca 0.07 -0.25 -0.67 0.00 -0.55 0.00 0.00 56.30 54.89 2k3d h ASN 28 Cb 0.81 -0.25 -0.31 0.00 0.05 0.00 0.00 38.32 38.62 2k3d h ASN 28 CO 0.07 0.95 -0.73 -0.63 -1.65 0.00 0.00 177.43 175.44 2k3d s ILE 29 N -5.23 3.01 -0.30 2.81 1.01 0.53 -4.42 121.20 118.61 2k3d s ILE 29 Ca -0.12 -0.97 0.28 0.00 0.00 0.00 0.00 60.65 59.83 2k3d s ILE 29 Cb 0.13 -2.53 0.32 0.00 0.01 0.00 0.00 42.46 40.40 2k3d s ILE 29 CO 0.83 0.19 1.80 1.55 0.00 0.00 0.00 174.94 179.31 2k3d h PRO 30 N 8.04 0.00 -0.53 2.79 0.13 -1.78 -2.53 132.00 138.12 2k3d h PRO 30 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2k3d h PRO 30 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2k3d h PRO 30 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 2k3d n ASP 31 N -2.71 3.08 -4.65 1.44 8.00 -1.26 -4.96 116.55 115.50 2k3d n ASP 31 Ca 0.02 -1.98 -0.50 0.00 0.71 0.00 0.00 54.79 53.04 2k3d n ASP 31 Cb 0.34 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.20 1.98 0.00 1.24 -0.00 -0.95 -4.87 117.46 116.05 2k3d n PHE 32 Ca 0.19 0.39 -0.01 0.00 -0.00 0.00 0.00 57.45 58.03 2k3d n PHE 32 Cb 0.50 -2.48 -0.00 0.00 -0.00 0.00 0.00 39.48 37.50 2k3d n PHE 32 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k3d n ASN 33 N 3.93 0.57 -3.86 -2.13 2.85 -1.26 -5.04 115.26 110.33 2k3d n ASN 33 Ca 0.20 0.08 -0.09 0.00 -0.11 0.00 0.00 54.58 54.66 2k3d n ASN 33 Cb 0.23 -0.29 -0.07 0.00 1.24 0.00 0.00 39.78 40.89 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 -1.54 0.13 -0.00 -0.44 -1.32 -1.26 -4.98 115.64 106.23 2k3d s THR 34 Ca -0.04 -1.19 -0.00 0.00 -1.21 0.00 0.00 61.69 59.25 2k3d s THR 34 Cb 0.01 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2k3d s THR 34 CO 0.06 -0.61 0.01 0.54 -2.21 0.00 0.00 174.62 172.41 2k3d s VAL 35 N -3.87 -0.00 -0.09 5.08 0.11 -1.26 -1.95 120.40 118.42 2k3d s VAL 35 Ca 0.06 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 2k3d s VAL 35 Cb 0.05 -0.02 0.02 0.00 -1.53 0.00 0.00 36.38 34.90 2k3d s VAL 35 CO -0.10 0.00 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.68 2k3d s THR 36 N 0.03 1.07 0.09 5.04 2.01 -0.86 -4.99 115.64 118.04 2k3d s THR 36 Ca -0.00 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.46 2k3d s THR 36 Cb -0.00 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 2k3d s THR 36 CO -0.00 0.36 0.50 -0.36 -0.69 0.00 0.00 174.62 174.42 2k3d s PHE 37 N 1.12 3.67 -0.30 4.92 0.08 -1.26 -2.25 117.98 123.96 2k3d s PHE 37 Ca -0.06 1.04 -0.16 0.00 0.12 0.00 0.00 56.93 57.87 2k3d s PHE 37 Cb -0.14 -2.34 0.18 0.00 -0.57 0.00 0.00 43.02 40.14 2k3d s PHE 37 CO -0.02 0.52 1.10 -0.08 -0.10 0.00 0.00 175.22 176.65 2k3d s THR 38 N -1.30 -0.23 0.00 0.64 -1.32 0.38 -4.95 115.64 108.86 2k3d s THR 38 Ca 0.32 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 2k3d s THR 38 Cb -0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 2k3d s THR 38 CO 0.18 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 173.18 2k3d n ASN 39 N 4.39 0.00 -2.03 8.08 5.03 -1.26 -4.48 115.26 124.99 2k3d n ASN 39 Ca -0.11 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.31 2k3d n ASN 39 Cb 0.55 0.25 -0.02 0.00 -1.02 0.00 0.00 39.78 39.53 2k3d n ASN 39 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2k3d n GLU 40 N -1.43 -2.50 0.00 3.52 4.07 -1.26 -3.31 120.64 119.72 2k3d n GLU 40 Ca 0.00 2.10 0.00 0.00 -0.06 0.00 0.00 57.16 59.20 2k3d n GLU 40 Cb 0.00 -3.11 0.00 0.00 -0.06 0.00 0.00 31.44 28.27 2k3d n GLU 40 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2k3d n GLU 41 N 0.92 3.77 -4.95 5.31 1.02 -1.23 -3.98 120.64 121.51 2k3d n GLU 41 Ca -0.20 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.62 2k3d n GLU 41 Cb 0.31 -0.40 -0.15 0.00 -0.02 0.00 0.00 31.44 31.18 2k3d n GLU 41 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2k3d s PHE 42 N -0.21 2.68 -0.13 -0.32 0.08 -1.26 -2.86 117.98 115.97 2k3d s PHE 42 Ca 0.00 -0.57 -0.31 0.00 0.12 0.00 0.00 56.93 56.17 2k3d s PHE 42 Cb 0.00 -1.73 0.13 0.00 -0.57 0.00 0.00 43.02 40.85 2k3d s PHE 42 CO 0.00 -0.13 1.04 -0.80 -0.10 0.00 0.00 175.22 175.23 2k3d s ASN 43 N -0.04 -0.29 0.41 1.36 0.01 -0.93 -4.81 114.94 110.66 2k3d s ASN 43 Ca -0.04 0.17 0.24 0.00 -0.71 0.00 0.00 52.86 52.52 2k3d s ASN 43 Cb -0.14 0.27 1.27 0.00 0.41 0.00 0.00 41.25 43.06 2k3d s ASN 43 CO 0.04 -0.37 1.68 -0.65 -1.51 0.00 0.00 177.10 176.29 2k3d h PRO 44 N 2.24 0.21 -1.52 -0.60 0.11 -1.99 0.20 132.00 130.65 2k3d h PRO 44 Ca -0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2k3d h PRO 44 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2k3d h PRO 44 CO 0.28 0.14 0.00 -0.89 -0.21 0.00 0.00 178.00 177.32 2k3d n ILE 45 N -4.71 1.41 0.00 4.15 5.41 -1.26 -4.90 119.36 119.46 2k3d n ILE 45 Ca 0.32 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2k3d n ILE 45 Cb 1.18 -1.22 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 2k3d n ILE 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2k3d n GLY 46 N 1.02 1.82 3.43 7.39 0.00 0.71 -4.71 105.19 114.85 2k3d n GLY 46 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 2.52 0.14 -0.61 -4.36 -1.26 -2.18 121.20 115.45 2k3d s ILE 47 Ca 0.00 -1.62 0.07 0.00 -0.26 0.00 0.00 60.65 58.84 2k3d s ILE 47 Cb 0.00 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 2k3d s ILE 47 CO 0.00 0.11 -0.15 -0.44 0.24 0.00 0.00 174.94 174.70 2k3d s SER 48 N -2.05 2.23 -0.12 4.36 0.01 -1.13 -1.75 113.70 115.25 2k3d s SER 48 Ca 0.16 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 56.59 2k3d s SER 48 Cb -0.10 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.04 2k3d s SER 48 CO 0.08 -0.12 -0.18 -0.63 0.41 0.00 0.00 173.24 172.79 2k3d s ILE 49 N -2.19 1.75 -0.06 1.44 1.01 -0.31 -3.48 121.20 119.35 2k3d s ILE 49 Ca 0.12 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2k3d s ILE 49 Cb -0.05 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.87 2k3d s ILE 49 CO 0.04 0.49 -0.12 -0.62 0.00 0.00 0.00 174.94 174.73 2k3d s ASP 50 N 0.88 1.77 0.00 3.58 2.15 -1.21 -1.68 116.67 122.17 2k3d s ASP 50 Ca -0.07 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.61 2k3d s ASP 50 Cb -0.15 -0.79 0.00 0.00 -0.30 0.00 0.00 42.92 41.67 2k3d s ASP 50 CO -0.01 0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 2k3d n GLY 51 N 3.75 2.59 3.18 2.66 0.00 -0.60 -0.47 105.19 116.31 2k3d n GLY 51 Ca -0.22 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.74 0.50 0.28 1.61 -0.85 -0.96 0.55 117.35 113.75 2k3d s TYR 52 Ca 0.00 -0.94 0.09 0.00 -0.52 0.00 0.00 57.07 55.70 2k3d s TYR 52 Cb 0.00 -0.27 -0.06 0.00 0.38 0.00 0.00 41.96 42.01 2k3d s TYR 52 CO 0.00 -0.52 -0.13 0.96 -1.52 0.00 0.00 175.55 174.34 2k3d s ILE 53 N -3.95 2.08 -1.59 -3.49 -4.36 -0.97 -2.03 121.20 106.89 2k3d s ILE 53 Ca 0.13 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 2k3d s ILE 53 Cb 0.06 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.39 2k3d s ILE 53 CO -0.05 -0.36 0.07 0.59 0.24 0.00 0.00 174.94 175.43 2k3d n ASN 54 N -0.61 -5.45 -2.96 4.36 4.13 -0.82 -1.68 115.26 112.22 2k3d n ASN 54 Ca -0.06 -0.01 -0.17 0.00 1.68 0.00 0.00 54.58 56.03 2k3d n ASN 54 Cb 0.62 -4.54 -0.01 0.00 -1.54 0.00 0.00 39.78 34.31 2k3d n ASN 54 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2k3d n ASN 55 N -2.03 -3.40 -4.22 6.41 2.85 -1.26 -4.91 115.26 108.70 2k3d n ASN 55 Ca -0.21 -0.09 -0.36 0.00 -0.11 0.00 0.00 54.58 53.81 2k3d n ASN 55 Cb 0.66 -2.87 -0.13 0.00 1.24 0.00 0.00 39.78 38.68 2k3d n ASN 55 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k3d s ASP 56 N -2.40 4.94 0.44 1.20 -1.08 -0.68 -4.96 116.67 114.13 2k3d s ASP 56 Ca 0.22 -1.13 0.11 0.00 -0.52 0.00 0.00 52.55 51.23 2k3d s ASP 56 Cb -0.12 -1.76 1.00 0.00 -1.46 0.00 0.00 42.92 40.58 2k3d s ASP 56 CO 0.27 -0.25 2.06 0.11 0.52 0.00 0.00 175.17 177.88 2k3d h LYS 57 N 8.08 0.38 -0.79 4.34 1.79 -1.91 -1.30 116.57 127.16 2k3d h LYS 57 Ca -0.24 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.17 2k3d h LYS 57 Cb 1.08 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.61 2k3d h LYS 57 CO 0.56 0.25 0.37 -0.91 -1.08 0.00 0.00 179.45 178.64 2k3d h ASN 58 N 0.39 1.04 -1.55 0.86 -0.26 -1.94 -3.33 115.58 110.80 2k3d h ASN 58 Ca 0.15 -0.13 -0.69 0.00 -0.56 0.00 0.00 56.30 55.07 2k3d h ASN 58 Cb 0.11 -0.27 -0.13 0.00 -1.06 0.00 0.00 38.32 36.97 2k3d h ASN 58 CO -0.03 0.89 1.62 -0.76 -1.06 0.00 0.00 177.43 178.09 2k3d s LEU 59 N -9.74 4.35 0.11 1.61 1.43 -0.49 -4.85 118.68 111.11 2k3d s LEU 59 Ca -0.12 -2.42 -0.06 0.00 -1.03 0.00 0.00 54.13 50.51 2k3d s LEU 59 Cb 0.16 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2k3d s LEU 59 CO 0.83 -1.07 0.35 -0.94 0.23 0.00 0.00 176.35 175.75 2k3d s SER 60 N 3.80 6.51 -0.02 2.29 1.04 -1.25 -2.30 113.70 123.77 2k3d s SER 60 Ca 0.46 0.60 0.03 0.00 0.48 0.00 0.00 55.95 57.52 2k3d s SER 60 Cb -0.00 -2.10 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 2k3d s SER 60 CO 0.00 0.11 -0.10 0.12 0.98 0.00 0.00 173.24 174.35 2k3d s PHE 61 N -1.55 1.00 -0.07 5.02 2.19 0.19 -3.60 117.98 121.16 2k3d s PHE 61 Ca 0.37 -0.24 0.02 0.00 0.33 0.00 0.00 56.93 57.42 2k3d s PHE 61 Cb -0.13 -0.69 0.01 0.00 -1.31 0.00 0.00 43.02 40.91 2k3d s PHE 61 CO 0.22 -0.08 -0.13 0.99 1.83 0.00 0.00 175.22 178.06 2k3d s THR 62 N 0.07 1.17 0.01 0.12 2.01 -0.57 -1.55 115.64 116.89 2k3d s THR 62 Ca -0.01 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 2k3d s THR 62 Cb -0.08 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 2k3d s THR 62 CO 0.00 0.36 0.02 0.00 -0.69 0.00 0.00 174.62 174.31 2k3d s ALA 63 N 0.68 -0.01 -0.02 7.40 0.00 -0.68 -0.77 121.76 128.36 2k3d s ALA 63 Ca -0.14 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 2k3d s ALA 63 Cb -0.16 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2k3d s ALA 63 CO 0.04 -0.16 0.51 0.20 0.00 0.00 0.00 175.76 176.35 2k3d s GLY 64 N -1.33 2.53 0.00 0.00 0.00 0.10 -1.16 107.32 107.46 2k3d s GLY 64 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2k3d s GLY 64 CO -0.00 0.57 0.00 0.28 0.00 0.00 0.00 173.10 173.94 2k3d n LYS 65 N 2.61 0.00 -0.02 2.90 5.02 -0.72 -1.30 118.16 126.65 2k3d n LYS 65 Ca -0.09 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2k3d n LYS 65 Cb 0.51 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2k3d n LYS 65 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k3d h ASP 66 N 0.00 0.00 0.00 4.39 2.03 -1.90 -3.46 116.42 117.48 2k3d h ASP 66 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k3d h ASP 66 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k3d h ASP 66 CO 0.00 0.16 -0.06 0.52 -1.03 0.00 0.00 179.24 178.82 2k3d n VAL 67 N -2.82 0.00 -1.94 4.15 0.31 -0.95 -4.39 118.33 112.69 2k3d n VAL 67 Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 2k3d n VAL 67 Cb 0.02 0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 33.55 2k3d n VAL 67 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2k3d s LYS 68 N 0.00 3.99 0.27 5.55 2.20 -0.42 -4.50 119.74 126.83 2k3d s LYS 68 Ca 0.00 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 2k3d s LYS 68 Cb 0.00 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 2k3d s LYS 68 CO 0.00 -1.08 0.00 -0.89 -0.36 0.00 0.00 175.35 173.02 2k3d n ILE 69 N 5.91 -8.25 -3.83 5.43 5.41 -1.26 -0.72 119.36 122.04 2k3d n ILE 69 Ca 0.19 2.68 -0.16 0.00 1.00 0.00 0.00 62.75 66.46 2k3d n ILE 69 Cb 0.43 -3.90 -0.16 0.00 -0.71 0.00 0.00 39.64 35.30 2k3d n ILE 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2k3d s PHE 70 N -1.24 0.15 0.14 1.39 -0.71 -1.26 -1.70 117.98 114.76 2k3d s PHE 70 Ca 0.00 0.08 0.07 0.00 -1.04 0.00 0.00 56.93 56.04 2k3d s PHE 70 Cb 0.00 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 2k3d s PHE 70 CO 0.00 -0.11 -0.17 -1.12 -1.34 0.00 0.00 175.22 172.49 2k3d s SER 71 N 1.06 2.39 0.17 1.98 0.01 0.05 -5.01 113.70 114.37 2k3d s SER 71 Ca -0.09 -0.83 -0.15 0.00 1.31 0.00 0.00 55.95 56.19 2k3d s SER 71 Cb -0.13 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.00 2k3d s SER 71 CO -0.02 -0.07 0.44 -0.94 0.41 0.00 0.00 173.24 173.05 2k3d s SER 72 N -2.52 -0.17 0.90 2.44 1.04 -1.26 -1.52 113.70 112.61 2k3d s SER 72 Ca 0.12 -0.56 -0.11 0.00 0.48 0.00 0.00 55.95 55.88 2k3d s SER 72 Cb -0.06 0.52 0.13 0.00 0.10 0.00 0.00 66.02 66.71 2k3d s SER 72 CO 0.05 -0.97 1.09 -0.94 0.98 0.00 0.00 173.24 173.45 2k3d s SER 73 N -2.89 3.40 0.13 7.02 1.04 -1.24 -4.66 113.70 116.51 2k3d s SER 73 Ca 0.10 1.63 -0.19 0.00 0.48 0.00 0.00 55.95 57.97 2k3d s SER 73 Cb 0.01 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 2k3d s SER 73 CO -0.04 -2.71 1.74 -0.33 0.98 0.00 0.00 173.24 172.88 2k3d h GLU 74 N -1.60 0.14 -0.75 4.02 5.08 -1.96 0.76 114.58 120.27 2k3d h GLU 74 Ca -0.49 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2k3d h GLU 74 Cb 1.28 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2k3d h GLU 74 CO 0.52 0.09 0.30 0.93 -1.00 0.00 0.00 179.01 179.85 2k3d h GLU 75 N 0.14 1.12 0.00 2.33 5.08 -1.93 -2.21 114.58 119.10 2k3d h GLU 75 Ca 0.10 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2k3d h GLU 75 Cb 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2k3d h GLU 75 CO -0.12 0.91 -0.21 1.25 -1.00 0.00 0.00 179.01 179.84 2k3d h LEU 76 N 1.07 0.00 -0.43 1.33 5.85 -1.75 -3.16 115.31 118.22 2k3d h LEU 76 Ca 0.25 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.79 2k3d h LEU 76 Cb 0.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2k3d h LEU 76 CO -0.02 0.21 -0.62 -0.78 -0.34 0.00 0.00 178.44 176.89 2k3d h ASP 77 N 0.00 0.65 0.76 1.25 1.82 0.11 -2.94 116.42 118.08 2k3d h ASP 77 Ca -0.00 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 2k3d h ASP 77 Cb 0.98 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.81 2k3d h ASP 77 CO 0.03 1.11 0.00 2.29 -1.61 0.00 0.00 179.24 181.06 2k3d n LYS 78 N -3.93 0.19 -0.21 0.28 2.85 -0.94 -3.61 118.16 112.79 2k3d n LYS 78 Ca -0.04 0.02 -0.08 0.00 -1.05 0.00 0.00 58.31 57.16 2k3d n LYS 78 Cb 0.65 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.55 2k3d n LYS 78 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 2k3d h MET 79 N 0.00 0.91 -5.12 -1.58 2.86 -1.50 -3.40 114.93 107.09 2k3d h MET 79 Ca 0.00 -0.19 -0.62 0.00 -2.06 0.00 0.00 59.70 56.83 2k3d h MET 79 Cb 0.38 -0.13 -0.16 0.00 0.06 0.00 0.00 31.60 31.74 2k3d h MET 79 CO 0.00 0.81 -0.55 -0.59 1.06 0.00 0.00 176.91 177.64 2k3d s PHE 80 N -5.43 3.25 -1.62 -0.22 -0.12 -1.24 -4.84 117.98 107.76 2k3d s PHE 80 Ca -0.13 0.06 0.23 0.00 -0.05 0.00 0.00 56.93 57.04 2k3d s PHE 80 Cb 0.13 -2.20 0.09 0.00 -0.63 0.00 0.00 43.02 40.40 2k3d s PHE 80 CO 0.80 0.01 1.14 0.94 -0.05 0.00 0.00 175.22 178.06 2k3d n GLN 81 N 4.17 0.71 -3.58 1.99 -0.06 -1.26 -4.65 117.38 114.70 2k3d n GLN 81 Ca -0.16 -0.56 -0.28 0.00 -2.00 0.00 0.00 57.00 54.00 2k3d n GLN 81 Cb 0.52 -1.49 -0.11 0.00 -4.06 0.00 0.00 30.24 25.10 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2k3d s GLU 82 N -2.67 1.24 0.30 3.69 2.02 -1.26 -5.12 118.70 116.90 2k3d s GLU 82 Ca 0.16 -2.20 -0.29 0.00 0.02 0.00 0.00 54.97 52.65 2k3d s GLU 82 Cb 0.18 -2.00 -0.13 0.00 0.10 0.00 0.00 34.13 32.27 2k3d s GLU 82 CO 0.66 -1.29 1.30 -2.30 0.02 0.00 0.00 175.26 173.66 2k3d n PRO 83 N 3.03 2.02 -3.60 0.39 -0.02 -1.26 -4.69 135.00 130.87 2k3d n PRO 83 Ca 0.20 0.71 -0.20 0.00 -2.02 0.00 0.00 63.50 62.19 2k3d n PRO 83 Cb 0.41 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.32 3.25 0.00 -0.52 1.81 -1.26 -5.05 118.95 115.86 2k3d s ARG 84 Ca 0.60 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.78 2k3d s ARG 84 Cb -0.61 -2.81 0.00 0.00 -0.45 0.00 0.00 34.95 31.08 2k3d s ARG 84 CO 0.58 0.17 0.00 1.63 -0.68 0.00 0.00 175.30 176.99 2k3d n LYS 85 N -1.61 0.57 -2.04 3.54 4.76 -1.26 -5.08 118.16 117.04 2k3d n LYS 85 Ca -0.03 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.13 2k3d n LYS 85 Cb 0.58 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.85 2k3d n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k3d s GLY 86 N 0.00 1.64 0.18 0.72 0.00 -1.26 -4.92 107.32 103.68 2k3d s GLY 86 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 2k3d s GLY 86 CO 0.00 -0.33 1.79 -1.82 0.00 0.00 0.00 173.10 172.74 2k3d h TYR 87 N -0.87 0.86 -0.69 1.90 3.20 -1.95 -2.62 116.97 116.80 2k3d h TYR 87 Ca -0.45 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.34 2k3d h TYR 87 Cb 1.32 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2k3d h TYR 87 CO 0.28 0.62 0.23 0.22 -1.64 0.00 0.00 178.16 177.87 2k3d h ASP 88 N 0.84 0.97 0.00 -2.11 1.82 -1.98 -0.19 116.42 115.77 2k3d h ASP 88 Ca 0.22 -0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2k3d h ASP 88 Cb 0.06 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.82 2k3d h ASP 88 CO -0.03 0.89 -0.00 -0.08 -1.61 0.00 0.00 179.24 178.41 2k3d h GLU 89 N 1.01 -0.01 -0.00 0.28 4.57 -1.85 -0.57 114.58 118.01 2k3d h GLU 89 Ca 0.23 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.31 2k3d h GLU 89 Cb 0.26 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2k3d h GLU 89 CO -0.01 0.04 -0.46 -0.84 -1.18 0.00 0.00 179.01 176.56 2k3d h ILE 90 N -0.05 1.33 -0.55 2.32 3.07 -1.32 -2.41 117.51 119.90 2k3d h ILE 90 Ca -0.00 -1.58 -0.05 0.00 1.55 0.00 0.00 64.86 64.78 2k3d h ILE 90 Cb 0.05 1.85 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 2k3d h ILE 90 CO 0.00 0.45 0.16 0.25 -1.05 0.00 0.00 178.15 177.96 2k3d h LEU 91 N 0.00 0.82 -0.72 0.16 5.85 -0.55 -2.69 115.31 118.18 2k3d h LEU 91 Ca -0.00 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 2k3d h LEU 91 Cb 0.82 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2k3d h LEU 91 CO 0.06 0.82 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.49 2k3d h GLU 92 N 0.78 0.81 -4.99 1.25 5.08 -0.86 -3.39 114.58 113.26 2k3d h GLU 92 Ca 0.18 -0.30 -0.68 0.00 -1.00 0.00 0.00 59.36 57.56 2k3d h GLU 92 Cb 0.30 -0.05 -0.18 0.00 0.50 0.00 0.00 28.75 29.33 2k3d h GLU 92 CO -0.00 0.92 -0.17 -1.01 -1.00 0.00 0.00 179.01 177.75 2k3d s HIS 93 N -4.72 3.17 -0.08 4.33 3.76 -0.93 -5.03 115.29 115.78 2k3d s HIS 93 Ca -0.10 -0.19 -0.12 0.00 -0.15 0.00 0.00 55.06 54.50 2k3d s HIS 93 Cb 0.13 -2.90 0.03 0.00 1.11 0.00 0.00 32.58 30.95 2k3d s HIS 93 CO 0.83 -0.64 0.30 -1.58 -0.85 0.00 0.00 174.74 172.81 2k3d s HIS 94 N 2.21 -0.28 -0.71 1.40 5.04 -1.26 -4.76 115.29 116.93 2k3d s HIS 94 Ca 0.14 0.64 -0.02 0.00 -1.54 0.00 0.00 55.06 54.28 2k3d s HIS 94 Cb -0.16 0.10 0.36 0.00 0.04 0.00 0.00 32.58 32.92 2k3d s HIS 94 CO 0.14 -0.23 2.09 0.72 -2.34 0.00 0.00 174.74 175.12 2k3d n HIS 95 N 2.42 2.89 0.00 3.88 8.25 -1.26 -4.79 115.22 126.62 2k3d n HIS 95 Ca -0.16 -2.58 0.00 0.00 -0.26 0.00 0.00 57.72 54.73 2k3d n HIS 95 Cb 0.57 -1.30 0.00 0.00 1.12 0.00 0.00 29.99 30.38 2k3d n HIS 95 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k3d n HIS 96 N -0.54 0.00 -0.37 4.41 -0.00 -1.26 -4.92 115.22 112.54 2k3d n HIS 96 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 2k3d n HIS 96 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2k3d n HIS 96 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2k3d n HIS 97 N -0.28 -0.70 1.38 1.57 1.44 -1.26 -5.35 115.22 112.01 2k3d n HIS 97 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 2k3d n HIS 97 Cb 0.00 0.02 0.66 0.00 0.12 0.00 0.00 29.99 30.78 2k3d n HIS 97 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11