#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 0.87 -0.23 0.00 3.57 -2.06 -2.58 116.94 116.52 2k3d h PHE 13 Ca 0.00 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 2k3d h PHE 13 Cb 0.00 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 2k3d h PHE 13 CO 0.00 0.63 -0.37 0.74 -2.23 0.00 0.00 178.31 177.09 2k3d h PHE 14 N 0.86 0.60 -0.43 0.41 0.04 -2.06 -2.49 116.94 113.87 2k3d h PHE 14 Ca 0.22 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2k3d h PHE 14 Cb 0.06 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2k3d h PHE 14 CO -0.01 0.81 0.20 -0.91 -0.60 0.00 0.00 178.31 177.80 2k3d h ASN 15 N 0.43 0.57 -0.08 2.17 -0.26 -1.92 -1.53 115.58 114.96 2k3d h ASN 15 Ca 0.04 -0.14 -0.13 0.00 -0.56 0.00 0.00 56.30 55.52 2k3d h ASN 15 Cb 0.84 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.94 2k3d h ASN 15 CO 0.07 0.54 -0.38 1.05 -1.06 0.00 0.00 177.43 177.66 2k3d h GLU 16 N 0.55 0.59 -0.63 0.81 4.11 -1.44 -2.48 114.58 116.09 2k3d h GLU 16 Ca 0.15 -0.29 -0.03 0.00 0.07 0.00 0.00 59.36 59.25 2k3d h GLU 16 Cb 0.13 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2k3d h GLU 16 CO -0.02 0.87 0.25 1.96 0.07 0.00 0.00 179.01 182.15 2k3d h GLN 17 N 0.49 0.93 -0.64 1.06 1.08 -1.14 -1.41 115.11 115.49 2k3d h GLN 17 Ca 0.05 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 2k3d h GLN 17 Cb 0.87 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 2k3d h GLN 17 CO 0.08 0.79 0.14 0.87 -0.95 0.00 0.00 178.83 179.75 2k3d h LYS 18 N 0.87 1.04 -0.57 1.46 1.57 -1.17 -2.04 116.57 117.73 2k3d h LYS 18 Ca 0.21 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2k3d h LYS 18 Cb 0.20 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2k3d h LYS 18 CO -0.02 0.95 0.34 1.49 -0.57 0.00 0.00 179.45 181.64 2k3d h GLU 19 N 0.96 0.78 -0.52 3.15 4.81 -1.04 0.08 114.58 122.80 2k3d h GLU 19 Ca 0.20 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2k3d h GLU 19 Cb 0.39 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2k3d h GLU 19 CO 0.01 0.57 0.18 0.87 -0.73 0.00 0.00 179.01 179.91 2k3d h LYS 20 N 0.77 0.79 -0.49 1.92 1.57 -1.04 -1.54 116.57 118.56 2k3d h LYS 20 Ca 0.20 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2k3d h LYS 20 Cb -0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2k3d h LYS 20 CO -0.04 0.72 0.07 0.28 -0.57 0.00 0.00 179.45 179.91 2k3d h VAL 21 N 0.70 1.25 -0.37 0.50 2.07 -1.06 -0.75 116.25 118.60 2k3d h VAL 21 Ca 0.17 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2k3d h VAL 21 Cb 0.24 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2k3d h VAL 21 CO -0.01 0.33 0.22 0.74 0.02 0.00 0.00 177.57 178.87 2k3d h THR 22 N 0.68 1.13 -0.60 2.57 2.02 -0.78 0.31 112.91 118.23 2k3d h THR 22 Ca 0.15 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 2k3d h THR 22 Cb 0.41 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2k3d h THR 22 CO 0.01 0.13 0.19 0.25 0.37 0.00 0.00 175.52 176.47 2k3d h LEU 23 N 0.48 0.88 -0.29 2.58 5.85 -1.14 -0.54 115.31 123.12 2k3d h LEU 23 Ca 0.13 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2k3d h LEU 23 Cb 0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2k3d h LEU 23 CO -0.02 0.85 0.16 0.22 -0.34 0.00 0.00 178.44 179.31 2k3d h TYR 24 N 0.86 0.39 -0.57 1.25 3.20 -0.71 -2.27 116.97 119.12 2k3d h TYR 24 Ca 0.20 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 2k3d h TYR 24 Cb 0.28 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2k3d h TYR 24 CO 0.02 0.32 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.77 2k3d h LEU 25 N 0.35 0.99 -0.43 2.82 3.38 -0.76 -2.08 115.31 119.58 2k3d h LEU 25 Ca 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2k3d h LEU 25 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2k3d h LEU 25 CO -0.02 1.05 0.28 0.50 0.09 0.00 0.00 178.44 180.34 2k3d h LYS 26 N 0.92 0.57 -0.35 1.13 3.64 -0.84 -0.76 116.57 120.88 2k3d h LYS 26 Ca 0.16 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 2k3d h LYS 26 Cb 0.56 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2k3d h LYS 26 CO 0.03 0.39 -0.37 0.45 -2.27 0.00 0.00 179.45 177.68 2k3d h HIS 27 N 0.58 0.99 -0.71 1.91 3.86 -1.34 -3.11 115.15 117.34 2k3d h HIS 27 Ca 0.16 -0.29 -0.06 0.00 -1.16 0.00 0.00 60.37 59.02 2k3d h HIS 27 Cb -0.04 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 2k3d h HIS 27 CO -0.04 1.07 0.21 -0.91 0.86 0.00 0.00 177.93 179.12 2k3d h ASN 28 N 0.68 1.04 -3.30 2.45 -0.26 -1.09 -3.41 115.58 111.70 2k3d h ASN 28 Ca 0.06 -0.22 -0.66 0.00 -0.56 0.00 0.00 56.30 54.92 2k3d h ASN 28 Cb 0.94 -0.27 -0.31 0.00 -1.06 0.00 0.00 38.32 37.61 2k3d h ASN 28 CO 0.09 0.98 -0.78 -0.63 -1.06 0.00 0.00 177.43 176.03 2k3d s ILE 29 N -5.38 2.79 -0.03 2.81 1.01 -0.32 -2.02 121.20 120.06 2k3d s ILE 29 Ca -0.12 -0.76 0.31 0.00 0.00 0.00 0.00 60.65 60.08 2k3d s ILE 29 Cb 0.15 -2.27 0.37 0.00 0.01 0.00 0.00 42.46 40.72 2k3d s ILE 29 CO 0.84 0.42 1.91 1.55 0.00 0.00 0.00 174.94 179.66 2k3d h PRO 30 N 8.03 0.00 -0.50 2.79 0.13 -1.79 -2.53 132.00 138.13 2k3d h PRO 30 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2k3d h PRO 30 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2k3d h PRO 30 CO 0.61 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 2k3d n ASP 31 N -3.00 3.02 -4.70 1.44 8.00 -1.26 -4.95 116.55 115.10 2k3d n ASP 31 Ca 0.01 -1.97 -0.55 0.00 0.71 0.00 0.00 54.79 52.99 2k3d n ASP 31 Cb 0.33 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 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 1.16 2.07 -0.01 1.24 7.35 -0.95 -4.86 117.46 123.45 2k3d n PHE 32 Ca 0.19 0.45 -0.01 0.00 -0.76 0.00 0.00 57.45 57.32 2k3d n PHE 32 Cb 0.50 -2.49 -0.00 0.00 0.35 0.00 0.00 39.48 37.84 2k3d n PHE 32 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2k3d n ASN 33 N 5.38 0.24 -3.92 -2.13 4.13 -1.26 -5.04 115.26 112.66 2k3d n ASN 33 Ca 0.25 0.04 -0.09 0.00 1.68 0.00 0.00 54.58 56.46 2k3d n ASN 33 Cb 0.16 -0.48 -0.07 0.00 -1.54 0.00 0.00 39.78 37.86 2k3d n ASN 33 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2k3d s THR 34 N -1.23 0.08 -0.02 3.41 -1.32 -1.26 -4.97 115.64 110.32 2k3d s THR 34 Ca -0.03 -1.28 0.02 0.00 -1.21 0.00 0.00 61.69 59.19 2k3d s THR 34 Cb 0.00 -1.70 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2k3d s THR 34 CO 0.05 -0.36 -0.08 0.54 -2.21 0.00 0.00 174.62 172.56 2k3d s VAL 35 N -3.93 0.68 -0.12 5.08 0.11 -1.26 -2.15 120.40 118.80 2k3d s VAL 35 Ca 0.14 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2k3d s VAL 35 Cb 0.03 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 2k3d s VAL 35 CO -0.03 0.21 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.92 2k3d s THR 36 N 0.10 1.50 -0.04 5.04 2.01 -0.80 -4.99 115.64 118.46 2k3d s THR 36 Ca -0.01 -0.62 -0.21 0.00 0.31 0.00 0.00 61.69 61.15 2k3d s THR 36 Cb -0.07 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2k3d s THR 36 CO 0.00 0.44 0.62 -0.36 -0.69 0.00 0.00 174.62 174.63 2k3d s PHE 37 N 1.17 3.62 -0.14 4.92 0.08 -1.26 -1.96 117.98 124.41 2k3d s PHE 37 Ca -0.03 1.17 -0.10 0.00 0.12 0.00 0.00 56.93 58.10 2k3d s PHE 37 Cb -0.14 -2.68 -0.06 0.00 -0.57 0.00 0.00 43.02 39.57 2k3d s PHE 37 CO -0.05 0.22 -0.23 0.25 -0.10 0.00 0.00 175.22 175.32 2k3d n THR 38 N 3.26 1.15 -3.93 0.64 -2.24 0.15 -4.94 114.28 108.36 2k3d n THR 38 Ca -0.05 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 2k3d n THR 38 Cb 0.51 -1.88 -0.06 0.00 -2.10 0.00 0.00 70.33 66.81 2k3d n THR 38 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2k3d s ASN 39 N -6.35 6.28 -0.30 3.42 0.01 -0.95 -4.95 114.94 112.09 2k3d s ASN 39 Ca -0.23 0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 52.30 2k3d s ASN 39 Cb 0.07 -1.99 0.19 0.00 0.41 0.00 0.00 41.25 39.93 2k3d s ASN 39 CO 0.30 0.35 0.68 -0.70 -1.51 0.00 0.00 177.10 176.22 2k3d s GLU 40 N -1.38 0.50 0.14 -0.60 2.12 -1.25 -2.00 118.70 116.23 2k3d s GLU 40 Ca 0.20 0.76 -0.24 0.00 0.36 0.00 0.00 54.97 56.04 2k3d s GLU 40 Cb -0.12 0.40 0.08 0.00 0.26 0.00 0.00 34.13 34.75 2k3d s GLU 40 CO 0.10 -0.66 1.09 -1.83 -0.54 0.00 0.00 175.26 173.41 2k3d s GLU 41 N 2.87 1.09 1.22 4.30 -1.05 -1.09 -5.01 118.70 121.03 2k3d s GLU 41 Ca 0.16 -0.69 -0.20 0.00 -0.15 0.00 0.00 54.97 54.08 2k3d s GLU 41 Cb -0.12 0.31 0.32 0.00 -0.44 0.00 0.00 34.13 34.19 2k3d s GLU 41 CO -0.21 -0.51 0.77 1.19 0.95 0.00 0.00 175.26 177.45 2k3d n PHE 42 N -0.71 -3.58 -3.62 4.83 3.72 -1.26 -0.89 117.46 115.96 2k3d n PHE 42 Ca -0.02 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 2k3d n PHE 42 Cb 0.60 -1.05 -0.01 0.00 -0.94 0.00 0.00 39.48 38.08 2k3d n PHE 42 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2k3d s ASN 43 N -3.12 -0.08 0.28 4.37 0.02 0.80 -4.14 114.94 113.08 2k3d s ASN 43 Ca 0.58 -0.11 0.02 0.00 -1.02 0.00 0.00 52.86 52.33 2k3d s ASN 43 Cb -0.09 0.16 0.60 0.00 0.02 0.00 0.00 41.25 41.94 2k3d s ASN 43 CO 0.47 -0.29 1.80 -0.65 0.02 0.00 0.00 177.10 178.46 2k3d h PRO 44 N 2.00 0.83 -0.01 -0.60 0.11 -1.97 0.19 132.00 132.55 2k3d h PRO 44 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2k3d h PRO 44 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2k3d h PRO 44 CO 0.27 0.55 -0.16 1.51 -0.21 0.00 0.00 178.00 179.96 2k3d n ILE 45 N -4.71 0.00 0.00 4.15 3.06 -1.26 -4.99 119.36 115.60 2k3d n ILE 45 Ca 0.20 -0.12 0.00 0.00 -2.50 0.00 0.00 62.75 60.33 2k3d n ILE 45 Cb 0.44 0.21 0.00 0.00 0.54 0.00 0.00 39.64 40.82 2k3d n ILE 45 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k3d n GLY 46 N 1.29 1.22 3.24 4.50 0.00 0.66 -4.77 105.19 111.32 2k3d n GLY 46 Ca 0.14 -0.44 -0.22 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 1.50 -0.07 -0.61 -4.36 -1.26 0.28 121.20 116.68 2k3d s ILE 47 Ca 0.00 -1.40 0.03 0.00 -0.26 0.00 0.00 60.65 59.01 2k3d s ILE 47 Cb 0.00 -1.38 0.01 0.00 1.25 0.00 0.00 42.46 42.34 2k3d s ILE 47 CO 0.00 -0.07 -0.14 -0.55 0.24 0.00 0.00 174.94 174.42 2k3d s SER 48 N -1.73 1.99 -0.06 4.36 0.15 -0.06 -1.66 113.70 116.69 2k3d s SER 48 Ca 0.04 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.38 2k3d s SER 48 Cb -0.10 -0.86 0.01 0.00 -1.71 0.00 0.00 66.02 63.36 2k3d s SER 48 CO 0.03 0.07 -0.14 -0.63 1.20 0.00 0.00 173.24 173.77 2k3d s ILE 49 N 0.52 1.21 0.03 6.45 1.01 -0.97 -2.67 121.20 126.77 2k3d s ILE 49 Ca -0.13 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2k3d s ILE 49 Cb -0.15 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2k3d s ILE 49 CO 0.04 0.37 -0.07 -0.62 0.00 0.00 0.00 174.94 174.65 2k3d s ASP 50 N 0.44 0.85 0.00 3.58 -1.08 -0.85 -1.08 116.67 118.53 2k3d s ASP 50 Ca -0.11 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 2k3d s ASP 50 Cb -0.14 -0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.31 2k3d s ASP 50 CO 0.03 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.25 2k3d n GLY 51 N 2.03 1.74 3.19 2.66 0.00 -1.01 0.30 105.19 114.09 2k3d n GLY 51 Ca -0.19 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.39 0.38 0.26 1.61 -0.85 -0.83 -1.68 117.35 111.86 2k3d s TYR 52 Ca 0.00 -0.83 0.11 0.00 -0.52 0.00 0.00 57.07 55.84 2k3d s TYR 52 Cb 0.00 -0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.09 2k3d s TYR 52 CO 0.00 -0.52 -0.19 0.96 -1.52 0.00 0.00 175.55 174.27 2k3d s ILE 53 N -3.92 2.35 -1.53 -3.49 -4.36 -1.01 -1.90 121.20 107.35 2k3d s ILE 53 Ca 0.10 -2.35 -0.03 0.00 -0.26 0.00 0.00 60.65 58.10 2k3d s ILE 53 Cb 0.06 -2.25 0.01 0.00 1.25 0.00 0.00 42.46 41.53 2k3d s ILE 53 CO -0.07 -0.41 0.33 0.59 0.24 0.00 0.00 174.94 175.61 2k3d n ASN 54 N -0.53 -5.46 -2.60 4.36 4.13 -0.92 -1.40 115.26 112.85 2k3d n ASN 54 Ca -0.06 -0.15 -0.12 0.00 1.68 0.00 0.00 54.58 55.93 2k3d n ASN 54 Cb 0.60 -4.49 -0.00 0.00 -1.54 0.00 0.00 39.78 34.35 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 -2.24 -3.39 -4.20 6.41 3.02 -1.26 -4.90 115.26 108.70 2k3d n ASN 55 Ca -0.15 0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.20 2k3d n ASN 55 Cb 0.63 -2.89 -0.13 0.00 -0.61 0.00 0.00 39.78 36.78 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 -2.13 5.11 0.48 6.41 -1.08 -0.50 -4.96 116.67 120.00 2k3d s ASP 56 Ca 0.06 -1.36 0.13 0.00 -0.52 0.00 0.00 52.55 50.86 2k3d s ASP 56 Cb -0.03 -1.79 1.13 0.00 -1.46 0.00 0.00 42.92 40.77 2k3d s ASP 56 CO 0.08 -0.34 2.11 0.11 0.52 0.00 0.00 175.17 177.65 2k3d h LYS 57 N 8.09 0.19 -0.76 4.34 1.79 -1.90 -1.26 116.57 127.05 2k3d h LYS 57 Ca -0.20 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 2k3d h LYS 57 Cb 1.07 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 2k3d h LYS 57 CO 0.59 0.12 0.32 -0.91 -1.08 0.00 0.00 179.45 178.50 2k3d h ASN 58 N 0.19 1.01 -1.07 0.86 2.35 -1.94 -3.30 115.58 113.68 2k3d h ASN 58 Ca 0.07 -0.14 -0.71 0.00 -0.55 0.00 0.00 56.30 54.97 2k3d h ASN 58 Cb 0.03 -0.26 -0.10 0.00 0.05 0.00 0.00 38.32 38.04 2k3d h ASN 58 CO -0.01 0.88 2.15 0.18 -1.65 0.00 0.00 177.43 178.98 2k3d n LEU 59 N -4.30 5.47 -4.88 1.61 4.77 -0.48 -4.83 117.00 114.37 2k3d n LEU 59 Ca 0.07 -4.15 -0.21 0.00 -0.03 0.00 0.00 56.01 51.69 2k3d n LEU 59 Cb 0.17 -1.68 -0.03 0.00 -2.33 0.00 0.00 43.42 39.54 2k3d n LEU 59 CO 0.40 0.55 -0.10 -0.94 -1.33 0.00 0.00 177.39 175.97 2k3d s SER 60 N 3.44 5.68 0.06 -1.43 1.04 -1.25 -2.41 113.70 118.84 2k3d s SER 60 Ca 0.49 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.55 2k3d s SER 60 Cb 0.05 -1.38 0.02 0.00 0.10 0.00 0.00 66.02 64.80 2k3d s SER 60 CO 0.03 -0.16 0.29 0.72 0.98 0.00 0.00 173.24 175.10 2k3d s PHE 61 N -2.15 -0.07 -0.00 5.02 -0.12 -0.68 -3.99 117.98 115.99 2k3d s PHE 61 Ca 0.36 -0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.13 2k3d s PHE 61 Cb -0.08 0.08 -0.00 0.00 -0.63 0.00 0.00 43.02 42.39 2k3d s PHE 61 CO 0.27 -0.53 -0.04 0.99 -0.05 0.00 0.00 175.22 175.87 2k3d s THR 62 N -2.86 0.28 0.11 -4.49 2.01 -0.99 -2.41 115.64 107.29 2k3d s THR 62 Ca -0.03 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.90 2k3d s THR 62 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 2k3d s THR 62 CO -0.05 0.08 -0.21 0.00 -0.69 0.00 0.00 174.62 173.74 2k3d s ALA 63 N -0.09 1.85 -0.40 7.40 0.00 -0.24 -0.30 121.76 129.99 2k3d s ALA 63 Ca 0.01 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.72 2k3d s ALA 63 Cb -0.01 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 22.98 2k3d s ALA 63 CO -0.00 0.36 0.17 0.20 0.00 0.00 0.00 175.76 176.48 2k3d s GLY 64 N -1.98 1.69 0.08 0.00 0.00 -1.03 -2.30 107.32 103.78 2k3d s GLY 64 Ca 0.07 -2.44 0.00 0.00 0.00 0.00 0.00 44.72 42.35 2k3d s GLY 64 CO 0.04 1.36 0.00 1.17 0.00 0.00 0.00 173.10 175.67 2k3d n LYS 65 N 3.97 -3.60 -1.75 2.90 4.81 -0.66 -4.41 118.16 119.42 2k3d n LYS 65 Ca 0.04 2.56 0.00 0.00 -0.87 0.00 0.00 58.31 60.05 2k3d n LYS 65 Cb 0.38 -3.15 0.00 0.00 0.02 0.00 0.00 35.03 32.28 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 1.86 -9.37 0.00 3.14 -0.08 -1.26 -4.24 116.55 106.60 2k3d n ASP 66 Ca 0.00 1.37 0.00 0.00 -1.51 0.00 0.00 54.79 54.65 2k3d n ASP 66 Cb 0.00 -5.37 0.00 0.00 2.34 0.00 0.00 41.12 38.09 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 -0.84 0.00 -0.37 5.18 0.31 -1.26 -2.38 118.33 118.98 2k3d n VAL 67 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2k3d n VAL 67 Cb 0.00 -0.97 0.21 0.00 -0.91 0.00 0.00 33.84 32.17 2k3d n VAL 67 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2k3d h LYS 68 N 0.00 1.05 -4.98 5.55 3.64 -1.89 -3.37 116.57 116.56 2k3d h LYS 68 Ca 0.00 -0.06 -0.66 0.00 -1.27 0.00 0.00 60.65 58.65 2k3d h LYS 68 Cb 0.00 -0.24 -0.29 0.00 -0.41 0.00 0.00 32.23 31.29 2k3d h LYS 68 CO 0.00 0.69 -0.74 0.42 -2.27 0.00 0.00 179.45 177.55 2k3d s ILE 69 N -5.99 3.13 -0.04 2.00 1.01 -1.00 -5.03 121.20 115.28 2k3d s ILE 69 Ca -0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2k3d s ILE 69 Cb 0.21 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 40.26 2k3d s ILE 69 CO 0.81 0.39 0.02 0.12 0.00 0.00 0.00 174.94 176.28 2k3d s PHE 70 N 1.43 0.22 0.10 3.97 5.36 -1.26 -2.45 117.98 125.34 2k3d s PHE 70 Ca 0.05 0.08 0.04 0.00 -0.96 0.00 0.00 56.93 56.14 2k3d s PHE 70 Cb -0.15 -0.44 -0.04 0.00 -0.34 0.00 0.00 43.02 42.06 2k3d s PHE 70 CO -0.05 -0.16 0.03 -1.12 -1.46 0.00 0.00 175.22 172.46 2k3d s SER 71 N 1.47 5.19 0.01 6.13 0.01 0.59 -5.00 113.70 122.12 2k3d s SER 71 Ca -0.04 -0.14 -0.17 0.00 1.31 0.00 0.00 55.95 56.92 2k3d s SER 71 Cb -0.13 -1.29 0.03 0.00 0.21 0.00 0.00 66.02 64.84 2k3d s SER 71 CO -0.03 0.16 0.37 -0.44 0.41 0.00 0.00 173.24 173.71 2k3d s SER 72 N -2.42 -0.24 0.84 2.44 0.01 -1.26 -2.35 113.70 110.72 2k3d s SER 72 Ca 0.27 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.45 2k3d s SER 72 Cb -0.12 0.37 0.12 0.00 0.21 0.00 0.00 66.02 66.60 2k3d s SER 72 CO 0.20 -0.56 1.20 -0.94 0.41 0.00 0.00 173.24 173.54 2k3d s SER 73 N -1.69 4.12 0.17 2.44 1.04 -1.26 -4.78 113.70 113.74 2k3d s SER 73 Ca -0.09 0.56 -0.14 0.00 0.48 0.00 0.00 55.95 56.75 2k3d s SER 73 Cb -0.02 -0.93 0.08 0.00 0.10 0.00 0.00 66.02 65.25 2k3d s SER 73 CO 0.01 -2.12 1.81 -0.08 0.98 0.00 0.00 173.24 173.84 2k3d h GLU 74 N -1.17 0.54 -0.09 4.02 4.81 -1.96 0.22 114.58 120.95 2k3d h GLU 74 Ca -0.45 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2k3d h GLU 74 Cb 1.30 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2k3d h GLU 74 CO 0.56 0.36 0.05 0.93 -0.73 0.00 0.00 179.01 180.18 2k3d h GLU 75 N 0.56 0.13 -0.45 1.92 5.08 -1.93 -1.20 114.58 118.70 2k3d h GLU 75 Ca 0.19 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2k3d h GLU 75 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2k3d h GLU 75 CO -0.09 0.17 0.02 1.25 -1.00 0.00 0.00 179.01 179.36 2k3d h LEU 76 N 0.06 0.68 -0.77 1.33 5.85 -1.82 -2.29 115.31 118.35 2k3d h LEU 76 Ca 0.03 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2k3d h LEU 76 Cb 0.07 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2k3d h LEU 76 CO -0.01 0.73 0.41 0.44 -0.34 0.00 0.00 178.44 179.68 2k3d h ASP 77 N 0.68 0.97 -0.16 1.25 3.32 -0.14 -2.07 116.42 120.26 2k3d h ASP 77 Ca 0.14 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 2k3d h ASP 77 Cb 0.39 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2k3d h ASP 77 CO 0.01 0.80 -0.15 0.11 -1.72 0.00 0.00 179.24 178.30 2k3d h LYS 78 N 1.07 0.55 -0.74 3.56 1.57 -0.80 -2.68 116.57 119.10 2k3d h LYS 78 Ca 0.27 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2k3d h LYS 78 Cb 0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2k3d h LYS 78 CO -0.04 0.68 0.35 0.52 -0.57 0.00 0.00 179.45 180.39 2k3d h MET 79 N 0.50 1.06 -6.77 3.15 2.86 -0.84 -3.43 114.93 111.47 2k3d h MET 79 Ca 0.09 -0.15 -0.57 0.00 -2.06 0.00 0.00 59.70 57.01 2k3d h MET 79 Cb 0.55 -0.19 0.11 0.00 0.06 0.00 0.00 31.60 32.13 2k3d h MET 79 CO 0.03 0.82 0.50 1.19 1.06 0.00 0.00 176.91 180.52 2k3d n PHE 80 N -4.32 2.23 0.21 -0.22 3.01 -0.95 -4.78 117.46 112.65 2k3d n PHE 80 Ca 0.07 0.54 0.07 0.00 1.01 0.00 0.00 57.45 59.14 2k3d n PHE 80 Cb 0.14 -2.40 -0.10 0.00 -0.01 0.00 0.00 39.48 37.10 2k3d n PHE 80 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2k3d n GLN 81 N 0.42 1.03 -4.17 -1.08 0.00 -0.85 -4.99 117.38 107.73 2k3d n GLN 81 Ca 0.05 -0.09 -0.14 0.00 -0.00 0.00 0.00 57.00 56.82 2k3d n GLN 81 Cb 0.37 -1.30 -0.11 0.00 0.00 0.00 0.00 30.24 29.21 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2k3d s GLU 82 N -2.81 0.83 0.93 3.69 -1.05 -1.26 -5.13 118.70 113.89 2k3d s GLU 82 Ca -0.02 -1.13 -0.11 0.00 -0.15 0.00 0.00 54.97 53.56 2k3d s GLU 82 Cb 0.10 -0.52 0.15 0.00 -0.44 0.00 0.00 34.13 33.42 2k3d s GLU 82 CO 0.61 0.08 1.10 -1.25 0.95 0.00 0.00 175.26 176.75 2k3d s PRO 83 N -2.72 0.98 0.28 -4.83 0.04 -1.26 -4.94 135.00 122.55 2k3d s PRO 83 Ca 0.04 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2k3d s PRO 83 Cb -0.03 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.65 2k3d s PRO 83 CO -0.00 -2.53 1.48 1.03 0.04 0.00 0.00 177.00 177.02 2k3d s ARG 84 N -4.74 4.22 0.03 4.56 0.52 -1.26 -5.01 118.95 117.27 2k3d s ARG 84 Ca 0.65 2.39 0.01 0.00 -0.52 0.00 0.00 55.73 58.26 2k3d s ARG 84 Cb -0.21 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 2k3d s ARG 84 CO 0.58 -0.47 -0.04 0.15 0.02 0.00 0.00 175.30 175.54 2k3d s LYS 85 N -0.63 0.41 0.69 3.54 1.02 -1.26 -5.14 119.74 118.37 2k3d s LYS 85 Ca 0.59 -0.72 -0.16 0.00 0.02 0.00 0.00 55.97 55.70 2k3d s LYS 85 Cb -0.44 0.01 0.02 0.00 -0.52 0.00 0.00 37.83 36.90 2k3d s LYS 85 CO 0.47 -0.03 1.22 0.20 -0.92 0.00 0.00 175.35 176.28 2k3d s GLY 86 N -1.67 2.49 0.20 -3.33 0.00 -1.26 -4.87 107.32 98.89 2k3d s GLY 86 Ca -0.12 0.94 -0.11 0.00 0.00 0.00 0.00 44.72 45.43 2k3d s GLY 86 CO -0.02 1.34 1.87 -1.82 0.00 0.00 0.00 173.10 174.48 2k3d h TYR 87 N 0.06 0.90 -0.66 1.90 3.20 -1.98 -2.09 116.97 118.30 2k3d h TYR 87 Ca -0.49 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.37 2k3d h TYR 87 Cb 1.30 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 2k3d h TYR 87 CO 0.46 0.57 0.26 -0.44 -1.64 0.00 0.00 178.16 177.38 2k3d h ASP 88 N 0.97 0.89 -0.18 -2.11 3.32 -1.99 -1.20 116.42 116.12 2k3d h ASP 88 Ca 0.26 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2k3d h ASP 88 Cb -0.11 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 2k3d h ASP 88 CO -0.06 0.80 0.11 -0.33 -1.72 0.00 0.00 179.24 178.05 2k3d h GLU 89 N 0.95 0.25 -0.05 3.56 4.39 -1.74 -1.45 114.58 120.49 2k3d h GLU 89 Ca 0.22 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.78 2k3d h GLU 89 Cb 0.19 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2k3d h GLU 89 CO -0.02 0.20 -0.55 -0.84 -1.16 0.00 0.00 179.01 176.64 2k3d h ILE 90 N 0.22 1.38 -0.51 3.13 3.07 -1.30 -2.40 117.51 121.11 2k3d h ILE 90 Ca 0.07 -1.86 -0.04 0.00 1.55 0.00 0.00 64.86 64.58 2k3d h ILE 90 Cb 0.01 1.95 -0.02 0.00 -0.27 0.00 0.00 36.82 38.49 2k3d h ILE 90 CO -0.01 0.54 0.16 0.25 -1.05 0.00 0.00 178.15 178.04 2k3d h LEU 91 N 0.11 0.74 -0.41 0.16 5.85 -0.86 -2.90 115.31 118.00 2k3d h LEU 91 Ca -0.00 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 2k3d h LEU 91 Cb 1.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2k3d h LEU 91 CO 0.08 0.75 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.46 2k3d h GLU 92 N 0.69 0.83 0.00 1.25 5.08 -1.18 -3.46 114.58 117.78 2k3d h GLU 92 Ca 0.16 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2k3d h GLU 92 Cb 0.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k3d h GLU 92 CO -0.00 0.96 0.00 1.58 -1.00 0.00 0.00 179.01 180.55 2k3d n HIS 93 N -4.27 0.00 1.55 4.33 -0.00 -0.91 0.10 115.22 116.01 2k3d n HIS 93 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.85 2k3d n HIS 93 Cb 0.39 0.00 0.66 0.00 -0.00 0.00 0.00 29.99 31.04 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 0.00 0.00 -2.53 1.57 -0.00 -1.26 -5.01 115.22 107.99 2k3d n HIS 94 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 2k3d n HIS 94 Cb 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.99 29.86 2k3d n HIS 94 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2k3d n HIS 95 N -0.73 -3.31 -2.52 1.57 -0.00 0.29 -4.94 115.22 105.58 2k3d n HIS 95 Ca 0.17 1.95 -0.41 0.00 -0.00 0.00 0.00 57.72 59.43 2k3d n HIS 95 Cb 0.26 -3.05 -0.04 0.00 -0.00 0.00 0.00 29.99 27.16 2k3d n HIS 95 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k3d s HIS 96 N -0.45 3.59 0.72 -1.40 5.65 -1.26 -5.04 115.29 117.09 2k3d s HIS 96 Ca -0.12 1.59 -0.11 0.00 0.25 0.00 0.00 55.06 56.67 2k3d s HIS 96 Cb 0.01 -3.28 0.16 0.00 -1.18 0.00 0.00 32.58 28.29 2k3d s HIS 96 CO 0.32 -0.62 0.98 1.58 -0.65 0.00 0.00 174.74 176.34 2k3d n HIS 97 N 2.50 -3.87 -0.40 3.88 -0.00 -1.26 -5.21 115.22 110.86 2k3d n HIS 97 Ca 0.03 -0.95 0.00 0.00 0.46 0.00 0.00 57.72 57.26 2k3d n HIS 97 Cb 0.46 -0.75 0.00 0.00 -0.12 0.00 0.00 29.99 29.58 2k3d n HIS 97 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52