#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 0.00 -0.48 0.00 3.57 -2.06 -2.13 116.94 115.84 2k3d h PHE 13 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2k3d h PHE 13 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2k3d h PHE 13 CO 0.00 0.00 0.05 0.74 -2.23 0.00 0.00 178.31 176.87 2k3d h PHE 14 N 0.00 0.79 -0.70 0.41 0.04 -2.05 -2.30 116.94 113.13 2k3d h PHE 14 Ca 0.00 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 2k3d h PHE 14 Cb 0.15 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 2k3d h PHE 14 CO 0.00 0.71 0.28 -0.91 -0.60 0.00 0.00 178.31 177.79 2k3d h ASN 15 N 0.72 0.96 -0.50 2.17 -0.26 -1.82 -0.51 115.58 116.34 2k3d h ASN 15 Ca 0.15 -0.17 -0.12 0.00 -0.56 0.00 0.00 56.30 55.60 2k3d h ASN 15 Cb 0.37 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 2k3d h ASN 15 CO 0.01 0.87 -0.15 -0.33 -1.06 0.00 0.00 177.43 176.77 2k3d h GLU 16 N 0.99 0.99 -0.35 0.81 3.07 -1.60 -2.46 114.58 116.03 2k3d h GLU 16 Ca 0.23 -0.39 -0.11 0.00 -0.50 0.00 0.00 59.36 58.59 2k3d h GLU 16 Cb 0.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2k3d h GLU 16 CO -0.02 1.07 -0.24 0.37 -1.40 0.00 0.00 179.01 178.79 2k3d h GLN 17 N 0.85 0.69 -0.66 2.33 5.75 -1.17 -2.39 115.11 120.52 2k3d h GLN 17 Ca 0.12 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 2k3d h GLN 17 Cb 0.72 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.20 2k3d h GLN 17 CO 0.05 0.87 0.35 -0.22 -2.65 0.00 0.00 178.83 177.23 2k3d h LYS 18 N 0.60 0.92 -0.65 1.69 3.64 -0.89 -1.74 116.57 120.15 2k3d h LYS 18 Ca 0.08 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2k3d h LYS 18 Cb 0.73 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2k3d h LYS 18 CO 0.06 0.70 0.06 0.93 -2.27 0.00 0.00 179.45 178.93 2k3d h GLU 19 N 0.90 1.10 -0.59 1.90 4.39 -1.24 -1.72 114.58 119.31 2k3d h GLU 19 Ca 0.23 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2k3d h GLU 19 Cb 0.05 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2k3d h GLU 19 CO -0.04 1.03 0.20 0.87 -1.16 0.00 0.00 179.01 179.92 2k3d h LYS 20 N 1.02 0.90 -0.52 2.33 1.57 -1.03 -0.90 116.57 119.93 2k3d h LYS 20 Ca 0.19 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2k3d h LYS 20 Cb 0.50 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2k3d h LYS 20 CO 0.02 0.80 0.07 0.28 -0.57 0.00 0.00 179.45 180.05 2k3d h VAL 21 N 0.83 1.25 -0.46 0.50 2.07 -1.16 0.16 116.25 119.44 2k3d h VAL 21 Ca 0.19 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2k3d h VAL 21 Cb 0.26 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2k3d h VAL 21 CO -0.01 0.35 0.29 0.74 0.02 0.00 0.00 177.57 178.96 2k3d h THR 22 N 0.74 1.13 -0.62 2.57 2.02 -1.03 0.21 112.91 117.93 2k3d h THR 22 Ca 0.15 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 2k3d h THR 22 Cb 0.42 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2k3d h THR 22 CO 0.01 0.13 0.21 0.25 0.37 0.00 0.00 175.52 176.49 2k3d h LEU 23 N 0.62 0.89 -0.24 2.58 5.85 -0.93 0.20 115.31 124.28 2k3d h LEU 23 Ca 0.17 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2k3d h LEU 23 Cb -0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2k3d h LEU 23 CO -0.03 0.85 0.14 0.22 -0.34 0.00 0.00 178.44 179.28 2k3d h TYR 24 N 0.88 0.33 -0.70 1.25 3.20 -0.32 -1.77 116.97 119.84 2k3d h TYR 24 Ca 0.20 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 2k3d h TYR 24 Cb 0.27 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 2k3d h TYR 24 CO 0.02 0.27 0.16 -0.07 -1.64 0.00 0.00 178.16 176.91 2k3d h LEU 25 N 0.29 1.07 -0.28 2.82 3.38 -0.32 0.70 115.31 122.97 2k3d h LEU 25 Ca 0.09 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2k3d h LEU 25 Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2k3d h LEU 25 CO -0.01 1.03 0.13 0.50 0.09 0.00 0.00 178.44 180.17 2k3d h LYS 26 N 1.07 0.27 -0.07 1.13 3.64 -0.19 0.90 116.57 123.31 2k3d h LYS 26 Ca 0.22 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.41 2k3d h LYS 26 Cb 0.38 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2k3d h LYS 26 CO 0.00 0.18 -0.63 0.45 -2.27 0.00 0.00 179.45 177.18 2k3d h HIS 27 N 0.28 0.78 -0.66 1.91 3.86 -1.18 -3.25 115.15 116.89 2k3d h HIS 27 Ca 0.12 -0.37 -0.08 0.00 -1.16 0.00 0.00 60.37 58.87 2k3d h HIS 27 Cb 0.05 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 2k3d h HIS 27 CO -0.10 1.18 0.09 -0.91 0.86 0.00 0.00 177.93 179.05 2k3d h ASN 28 N 0.17 1.06 -3.57 2.45 4.21 -0.69 -3.39 115.58 115.82 2k3d h ASN 28 Ca -0.06 -0.26 -0.71 0.00 1.21 0.00 0.00 56.30 56.48 2k3d h ASN 28 Cb 1.29 -0.28 -0.25 0.00 -1.12 0.00 0.00 38.32 37.96 2k3d h ASN 28 CO 0.13 1.06 -0.51 -0.63 -1.29 0.00 0.00 177.43 176.18 2k3d s ILE 29 N -5.18 4.46 -0.33 2.81 1.01 0.31 -4.30 121.20 119.98 2k3d s ILE 29 Ca -0.12 -0.97 0.27 0.00 0.00 0.00 0.00 60.65 59.83 2k3d s ILE 29 Cb 0.14 -3.53 0.30 0.00 0.01 0.00 0.00 42.46 39.39 2k3d s ILE 29 CO 0.85 -0.28 1.80 1.55 0.00 0.00 0.00 174.94 178.86 2k3d h PRO 30 N 8.42 0.00 -0.64 2.79 0.13 -1.76 -2.50 132.00 138.43 2k3d h PRO 30 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2k3d h PRO 30 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2k3d h PRO 30 CO 0.68 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.98 2k3d n ASP 31 N -2.56 4.08 -4.70 1.44 2.03 -1.26 -4.96 116.55 110.62 2k3d n ASP 31 Ca 0.02 -2.30 -0.44 0.00 0.52 0.00 0.00 54.79 52.60 2k3d n ASP 31 Cb 0.30 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 40.15 2k3d n ASP 31 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2k3d n PHE 32 N 1.09 2.57 0.03 -0.67 -0.00 -0.94 -4.86 117.46 114.67 2k3d n PHE 32 Ca 0.23 0.11 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 2k3d n PHE 32 Cb 0.74 -2.63 0.00 0.00 -0.00 0.00 0.00 39.48 37.59 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 3.92 0.27 -3.87 -2.13 4.13 -1.26 -5.07 115.26 111.25 2k3d n ASN 33 Ca 0.17 0.09 -0.09 0.00 1.68 0.00 0.00 54.58 56.42 2k3d n ASN 33 Cb 0.33 -0.04 -0.08 0.00 -1.54 0.00 0.00 39.78 38.45 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 -2.00 0.14 -0.01 3.41 -1.32 -1.26 -4.98 115.64 109.62 2k3d s THR 34 Ca 0.00 -1.14 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 2k3d s THR 34 Cb 0.00 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 2k3d s THR 34 CO 0.00 -0.63 -0.02 0.54 -2.21 0.00 0.00 174.62 172.30 2k3d s VAL 35 N -3.41 0.18 -0.09 5.08 0.11 -1.26 -2.25 120.40 118.76 2k3d s VAL 35 Ca 0.02 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2k3d s VAL 35 Cb 0.03 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.73 2k3d s VAL 35 CO -0.08 0.07 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.78 2k3d s THR 36 N 0.12 0.93 -0.30 5.04 2.01 -0.52 -5.00 115.64 117.92 2k3d s THR 36 Ca -0.01 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 2k3d s THR 36 Cb -0.03 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2k3d s THR 36 CO -0.00 0.34 0.19 -0.36 -0.69 0.00 0.00 174.62 174.09 2k3d s PHE 37 N 1.34 3.20 -0.00 4.92 0.40 -1.26 -2.42 117.98 124.16 2k3d s PHE 37 Ca -0.03 -0.16 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 2k3d s PHE 37 Cb -0.14 -2.39 0.11 0.00 0.51 0.00 0.00 43.02 41.11 2k3d s PHE 37 CO -0.04 -0.30 1.05 -2.37 0.70 0.00 0.00 175.22 174.27 2k3d n THR 38 N 5.05 0.00 -1.76 0.64 5.66 -1.25 -4.89 114.28 117.73 2k3d n THR 38 Ca -0.14 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2k3d n THR 38 Cb 0.51 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.92 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 0.13 0.00 -4.71 1.09 5.15 -1.23 -5.04 115.26 110.65 2k3d n ASN 39 Ca -0.19 -1.38 -0.42 0.00 -0.60 0.00 0.00 54.58 51.99 2k3d n ASN 39 Cb 0.82 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.99 2k3d n ASN 39 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k3d n GLU 40 N 0.00 2.12 -3.86 1.20 1.02 -1.25 -4.42 120.64 115.45 2k3d n GLU 40 Ca 0.00 0.75 -0.10 0.00 -0.02 0.00 0.00 57.16 57.79 2k3d n GLU 40 Cb 0.58 -2.40 -0.08 0.00 -0.02 0.00 0.00 31.44 29.51 2k3d n GLU 40 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k3d s GLU 41 N -2.06 0.69 0.29 3.49 -1.05 -1.06 -4.96 118.70 114.04 2k3d s GLU 41 Ca 0.57 -0.69 -0.29 0.00 -0.15 0.00 0.00 54.97 54.42 2k3d s GLU 41 Cb -0.53 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 33.35 2k3d s GLU 41 CO 0.61 -0.20 1.06 -0.06 0.95 0.00 0.00 175.26 177.61 2k3d s PHE 42 N -2.72 3.63 -0.05 4.83 0.40 -1.26 -1.25 117.98 121.56 2k3d s PHE 42 Ca -0.04 1.74 0.02 0.00 -0.60 0.00 0.00 56.93 58.06 2k3d s PHE 42 Cb -0.00 -3.19 -0.03 0.00 0.51 0.00 0.00 43.02 40.31 2k3d s PHE 42 CO -0.05 -0.33 -0.10 1.21 0.70 0.00 0.00 175.22 176.66 2k3d s ASN 43 N -1.04 4.39 0.40 1.36 3.04 0.21 -4.74 114.94 118.55 2k3d s ASN 43 Ca 0.45 -0.10 0.19 0.00 0.04 0.00 0.00 52.86 53.44 2k3d s ASN 43 Cb -0.29 -1.03 1.12 0.00 -1.54 0.00 0.00 41.25 39.51 2k3d s ASN 43 CO 0.37 0.35 1.75 -0.65 -3.04 0.00 0.00 177.10 175.88 2k3d h PRO 44 N 5.23 0.36 -0.00 0.43 0.11 -1.96 1.20 132.00 137.37 2k3d h PRO 44 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k3d h PRO 44 Cb 1.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2k3d h PRO 44 CO 0.51 0.24 -0.21 1.51 -0.21 0.00 0.00 178.00 179.85 2k3d n ILE 45 N -4.66 0.00 0.00 4.15 3.06 -1.26 -5.00 119.36 115.66 2k3d n ILE 45 Ca 0.27 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.46 2k3d n ILE 45 Cb 0.92 0.05 0.00 0.00 0.54 0.00 0.00 39.64 41.15 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 1.36 -0.58 3.31 4.50 0.00 0.41 -5.09 105.19 109.11 2k3d n GLY 46 Ca 0.11 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 1.61 -0.06 -0.61 -4.36 -1.26 0.63 121.20 117.16 2k3d s ILE 47 Ca 0.00 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 2k3d s ILE 47 Cb 0.00 -1.83 0.01 0.00 1.25 0.00 0.00 42.46 41.89 2k3d s ILE 47 CO 0.00 -0.47 -0.13 -0.55 0.24 0.00 0.00 174.94 174.02 2k3d s SER 48 N -2.87 1.84 -0.29 4.36 0.15 -0.38 -1.34 113.70 115.16 2k3d s SER 48 Ca 0.16 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.38 2k3d s SER 48 Cb -0.03 -0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 63.48 2k3d s SER 48 CO 0.05 0.06 0.25 -0.63 1.20 0.00 0.00 173.24 174.17 2k3d s ILE 49 N 0.50 5.27 0.01 6.45 -1.09 -0.11 -2.58 121.20 129.64 2k3d s ILE 49 Ca -0.12 0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.59 2k3d s ILE 49 Cb -0.14 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2k3d s ILE 49 CO 0.03 0.18 -0.22 -1.81 -1.23 0.00 0.00 174.94 171.90 2k3d s ASP 50 N 1.73 2.56 0.00 3.58 1.01 -1.26 -1.11 116.67 123.17 2k3d s ASP 50 Ca 0.09 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 52.90 2k3d s ASP 50 Cb -0.16 -0.26 0.00 0.00 1.01 0.00 0.00 42.92 43.51 2k3d s ASP 50 CO 0.11 0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.33 2k3d n GLY 51 N 2.26 0.51 3.29 0.21 0.00 -0.99 -3.56 105.19 106.90 2k3d n GLY 51 Ca -0.16 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.21 0.48 0.31 1.61 -0.85 -1.02 -0.58 117.35 115.09 2k3d s TYR 52 Ca 0.00 -0.85 0.08 0.00 -0.52 0.00 0.00 57.07 55.78 2k3d s TYR 52 Cb 0.00 -0.15 -0.06 0.00 0.38 0.00 0.00 41.96 42.13 2k3d s TYR 52 CO 0.00 -0.67 -0.08 0.96 -1.52 0.00 0.00 175.55 174.25 2k3d s ILE 53 N -3.98 1.96 -1.57 -3.49 -4.36 -0.98 -1.43 121.20 107.35 2k3d s ILE 53 Ca 0.18 -2.17 -0.03 0.00 -0.26 0.00 0.00 60.65 58.37 2k3d s ILE 53 Cb 0.04 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.21 2k3d s ILE 53 CO -0.00 -0.25 0.27 0.59 0.24 0.00 0.00 174.94 175.79 2k3d n ASN 54 N -0.69 -5.58 -2.56 4.36 3.02 -0.95 -1.74 115.26 111.12 2k3d n ASN 54 Ca -0.05 -0.12 -0.08 0.00 -0.03 0.00 0.00 54.58 54.29 2k3d n ASN 54 Cb 0.63 -4.59 -0.00 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 -2.21 -2.66 -4.22 6.41 3.02 -1.26 -4.89 115.26 109.44 2k3d n ASN 55 Ca -0.16 0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 2k3d n ASN 55 Cb 0.64 -2.32 -0.13 0.00 -0.61 0.00 0.00 39.78 37.36 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 -2.08 4.90 0.45 6.41 -1.08 -0.71 -4.96 116.67 119.60 2k3d s ASP 56 Ca 0.04 -1.09 0.12 0.00 -0.52 0.00 0.00 52.55 51.10 2k3d s ASP 56 Cb -0.02 -1.76 1.05 0.00 -1.46 0.00 0.00 42.92 40.72 2k3d s ASP 56 CO 0.05 -0.24 2.07 0.11 0.52 0.00 0.00 175.17 177.68 2k3d h LYS 57 N 8.08 0.32 -0.75 4.34 1.57 -1.90 -1.18 116.57 127.06 2k3d h LYS 57 Ca -0.25 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 2k3d h LYS 57 Cb 1.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 2k3d h LYS 57 CO 0.57 0.21 0.32 -0.91 -0.57 0.00 0.00 179.45 179.06 2k3d h ASN 58 N 0.33 1.01 -0.85 0.86 -0.26 -1.94 -3.29 115.58 111.43 2k3d h ASN 58 Ca 0.13 -0.14 -0.70 0.00 -0.56 0.00 0.00 56.30 55.03 2k3d h ASN 58 Cb 0.13 -0.26 -0.09 0.00 -1.06 0.00 0.00 38.32 37.04 2k3d h ASN 58 CO -0.03 0.88 2.34 0.18 -1.06 0.00 0.00 177.43 179.74 2k3d n LEU 59 N -4.30 5.71 -4.96 1.61 4.77 -0.44 -4.62 117.00 114.77 2k3d n LEU 59 Ca 0.07 -4.13 -0.21 0.00 -0.03 0.00 0.00 56.01 51.70 2k3d n LEU 59 Cb 0.17 -1.68 -0.02 0.00 -2.33 0.00 0.00 43.42 39.56 2k3d n LEU 59 CO 0.40 0.63 -0.05 -0.44 -1.33 0.00 0.00 177.39 176.60 2k3d s SER 60 N 3.39 6.27 -0.00 -1.43 0.01 -1.24 -2.31 113.70 118.39 2k3d s SER 60 Ca 0.49 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.71 2k3d s SER 60 Cb 0.06 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.47 2k3d s SER 60 CO 0.01 -0.06 0.20 0.72 0.41 0.00 0.00 173.24 174.53 2k3d s PHE 61 N -1.97 -0.04 -0.03 2.43 -0.12 0.25 -3.55 117.98 114.95 2k3d s PHE 61 Ca 0.34 0.00 0.03 0.00 -0.05 0.00 0.00 56.93 57.25 2k3d s PHE 61 Cb -0.09 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.31 2k3d s PHE 61 CO 0.29 -0.33 -0.10 0.99 -0.05 0.00 0.00 175.22 176.01 2k3d s THR 62 N -1.43 0.88 0.03 -4.49 2.01 -1.05 -2.35 115.64 109.24 2k3d s THR 62 Ca -0.14 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.48 2k3d s THR 62 Cb -0.06 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2k3d s THR 62 CO 0.02 0.27 -0.10 0.00 -0.69 0.00 0.00 174.62 174.12 2k3d s ALA 63 N 0.19 0.82 -0.40 7.40 0.00 -0.27 -1.66 121.76 127.84 2k3d s ALA 63 Ca -0.03 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 2k3d s ALA 63 Cb -0.09 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2k3d s ALA 63 CO 0.01 0.12 0.54 0.20 0.00 0.00 0.00 175.76 176.62 2k3d s GLY 64 N -1.07 1.80 0.00 0.00 0.00 0.06 -0.93 107.32 107.18 2k3d s GLY 64 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2k3d s GLY 64 CO 0.01 1.33 0.00 0.58 0.00 0.00 0.00 173.10 175.02 2k3d n LYS 65 N 5.89 0.00 -0.28 2.90 2.85 -0.45 0.16 118.16 129.22 2k3d n LYS 65 Ca -0.04 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.20 2k3d n LYS 65 Cb 0.48 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.84 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k3d n ASP 66 N 1.29 2.49 -3.62 -5.58 8.00 -1.26 -4.55 116.55 113.33 2k3d n ASP 66 Ca 0.00 -1.72 -0.27 0.00 0.71 0.00 0.00 54.79 53.50 2k3d n ASP 66 Cb 0.00 -0.56 0.01 0.00 -0.02 0.00 0.00 41.12 40.55 2k3d n ASP 66 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2k3d n VAL 67 N 1.98 -1.39 -0.22 2.53 0.31 0.41 -4.83 118.33 117.11 2k3d n VAL 67 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.30 2k3d n VAL 67 Cb 0.28 -2.25 0.03 0.00 -0.91 0.00 0.00 33.84 30.99 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 -1.42 0.96 -4.03 5.55 1.79 -0.57 -3.43 116.57 115.41 2k3d h LYS 68 Ca -0.51 -0.19 -0.39 0.00 -2.18 0.00 0.00 60.65 57.39 2k3d h LYS 68 Cb 1.34 -0.15 -0.33 0.00 -1.58 0.00 0.00 32.23 31.51 2k3d h LYS 68 CO 0.61 0.83 -0.77 -1.50 -1.08 0.00 0.00 179.45 177.54 2k3d s ILE 69 N -5.48 0.47 -0.06 1.86 1.10 -1.26 -4.91 121.20 112.92 2k3d s ILE 69 Ca -0.13 -0.11 0.04 0.00 -0.51 0.00 0.00 60.65 59.95 2k3d s ILE 69 Cb 0.13 -0.49 -0.00 0.00 0.15 0.00 0.00 42.46 42.25 2k3d s ILE 69 CO 0.81 0.20 -0.19 0.72 -2.11 0.00 0.00 174.94 174.37 2k3d s PHE 70 N 0.76 1.96 0.10 3.50 -0.12 -1.26 -0.76 117.98 122.17 2k3d s PHE 70 Ca -0.10 -0.65 0.06 0.00 -0.05 0.00 0.00 56.93 56.20 2k3d s PHE 70 Cb -0.13 -1.33 -0.03 0.00 -0.63 0.00 0.00 43.02 40.90 2k3d s PHE 70 CO -0.00 -0.24 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.65 2k3d s SER 71 N 0.16 2.03 0.10 1.98 0.01 -0.67 -5.01 113.70 112.31 2k3d s SER 71 Ca -0.08 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.50 2k3d s SER 71 Cb -0.14 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2k3d s SER 71 CO 0.04 -0.08 -0.14 -0.44 0.41 0.00 0.00 173.24 173.03 2k3d s SER 72 N -2.13 1.81 0.88 2.44 0.01 -1.26 -2.54 113.70 112.91 2k3d s SER 72 Ca 0.05 -0.72 -0.13 0.00 1.31 0.00 0.00 55.95 56.46 2k3d s SER 72 Cb -0.08 -0.05 0.13 0.00 0.21 0.00 0.00 66.02 66.23 2k3d s SER 72 CO 0.03 -0.12 1.20 -0.94 0.41 0.00 0.00 173.24 173.83 2k3d s SER 73 N -2.11 3.81 0.19 2.44 1.04 -1.23 -4.68 113.70 113.17 2k3d s SER 73 Ca 0.03 0.68 -0.11 0.00 0.48 0.00 0.00 55.95 57.03 2k3d s SER 73 Cb -0.07 -1.07 0.15 0.00 0.10 0.00 0.00 66.02 65.13 2k3d s SER 73 CO 0.02 -2.33 1.83 -0.08 0.98 0.00 0.00 173.24 173.66 2k3d h GLU 74 N -1.35 0.73 -0.25 4.02 4.81 -1.95 1.30 114.58 121.88 2k3d h GLU 74 Ca -0.46 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 58.57 2k3d h GLU 74 Cb 1.31 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2k3d h GLU 74 CO 0.57 0.48 -0.44 0.93 -0.73 0.00 0.00 179.01 179.82 2k3d h GLU 75 N 0.75 0.64 0.00 1.92 4.39 -1.93 -2.79 114.58 117.56 2k3d h GLU 75 Ca 0.25 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2k3d h GLU 75 Cb 0.02 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k3d h GLU 75 CO -0.10 0.95 -0.11 1.25 -1.16 0.00 0.00 179.01 179.84 2k3d h LEU 76 N 0.52 0.00 -0.25 1.33 5.85 -1.65 -3.32 115.31 117.78 2k3d h LEU 76 Ca 0.03 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k3d h LEU 76 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2k3d h LEU 76 CO 0.09 0.01 0.15 -0.78 -0.34 0.00 0.00 178.44 177.57 2k3d h ASP 77 N 0.00 0.31 -0.61 1.25 1.82 0.20 -0.80 116.42 118.59 2k3d h ASP 77 Ca 0.00 -0.06 0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2k3d h ASP 77 Cb 0.80 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.70 2k3d h ASP 77 CO 0.00 0.28 0.40 0.07 -1.61 0.00 0.00 179.24 178.38 2k3d h LYS 78 N 0.31 0.80 -0.54 0.28 2.10 -1.66 -2.52 116.57 115.35 2k3d h LYS 78 Ca 0.09 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.59 2k3d h LYS 78 Cb 0.03 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 31.16 2k3d h LYS 78 CO -0.02 0.53 -0.06 0.52 -2.00 0.00 0.00 179.45 178.42 2k3d h MET 79 N 0.82 0.97 -6.48 0.07 2.86 -1.68 -3.40 114.93 108.09 2k3d h MET 79 Ca 0.22 -0.32 -0.56 0.00 -2.06 0.00 0.00 59.70 56.98 2k3d h MET 79 Cb -0.09 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 2k3d h MET 79 CO -0.05 0.99 1.09 0.12 1.06 0.00 0.00 176.91 180.12 2k3d s PHE 80 N -4.91 2.34 0.00 -0.22 5.36 -0.32 -4.65 117.98 115.57 2k3d s PHE 80 Ca -0.11 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 2k3d s PHE 80 Cb 0.14 -4.33 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 2k3d s PHE 80 CO 0.85 -2.00 0.28 1.04 -1.46 0.00 0.00 175.22 173.93 2k3d n GLN 81 N 8.29 0.00 -3.85 10.12 6.02 -1.26 -4.88 117.38 131.81 2k3d n GLN 81 Ca 0.15 -0.28 -0.29 0.00 -0.01 0.00 0.00 57.00 56.58 2k3d n GLN 81 Cb 0.48 -0.37 -0.12 0.00 1.02 0.00 0.00 30.24 31.25 2k3d n GLN 81 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k3d s GLU 82 N 0.00 2.13 -0.27 -1.09 2.12 -1.26 -5.08 118.70 115.24 2k3d s GLU 82 Ca 0.00 -2.97 -0.25 0.00 0.36 0.00 0.00 54.97 52.11 2k3d s GLU 82 Cb 0.00 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2k3d s GLU 82 CO 0.00 -1.24 0.86 -1.25 -0.54 0.00 0.00 175.26 173.09 2k3d s PRO 83 N -0.92 4.11 0.72 4.30 0.04 -1.26 -4.62 135.00 137.37 2k3d s PRO 83 Ca 0.23 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.05 2k3d s PRO 83 Cb -0.10 -3.68 0.03 0.00 0.04 0.00 0.00 34.50 30.79 2k3d s PRO 83 CO -0.12 -0.62 1.09 1.03 0.04 0.00 0.00 177.00 178.42 2k3d s ARG 84 N 3.00 2.64 0.00 4.56 1.81 -1.26 -4.97 118.95 124.73 2k3d s ARG 84 Ca 0.36 0.30 0.27 0.00 -1.72 0.00 0.00 55.73 54.94 2k3d s ARG 84 Cb -0.15 -2.04 0.91 0.00 -0.45 0.00 0.00 34.95 33.22 2k3d s ARG 84 CO 0.10 -1.13 1.66 1.63 -0.68 0.00 0.00 175.30 176.88 2k3d n LYS 85 N -3.02 0.62 0.00 3.54 5.02 -1.26 -4.99 118.16 118.06 2k3d n LYS 85 Ca 0.07 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 2k3d n LYS 85 Cb 0.58 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2k3d n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3d n GLY 86 N 1.35 2.85 0.30 0.72 0.00 -1.26 -4.85 105.19 104.31 2k3d n GLY 86 Ca 0.12 -1.17 0.18 0.00 0.00 0.00 0.00 46.02 45.14 2k3d n GLY 86 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k3d h TYR 87 N 0.00 0.00 0.00 1.61 5.03 -1.90 -1.10 116.97 120.61 2k3d h TYR 87 Ca 0.00 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 2k3d h TYR 87 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 2k3d h TYR 87 CO 0.00 0.03 -0.79 -0.44 -1.32 0.00 0.00 178.16 175.64 2k3d h ASP 88 N 0.00 0.00 -0.20 -2.11 3.32 -1.99 -3.32 116.42 112.13 2k3d h ASP 88 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2k3d h ASP 88 Cb 0.16 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.71 2k3d h ASP 88 CO 0.00 0.68 -0.62 -0.08 -1.72 0.00 0.00 179.24 177.51 2k3d h GLU 89 N 0.00 0.77 0.00 3.56 4.57 -1.53 -3.06 114.58 118.89 2k3d h GLU 89 Ca -0.03 -0.56 -0.00 0.00 -1.18 0.00 0.00 59.36 57.58 2k3d h GLU 89 Cb 1.55 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.23 2k3d h GLU 89 CO 0.08 1.18 -0.01 -0.84 -1.18 0.00 0.00 179.01 178.25 2k3d h ILE 90 N 0.50 0.40 -0.24 2.32 3.07 -1.61 -1.31 117.51 120.64 2k3d h ILE 90 Ca -0.02 -0.04 -0.07 0.00 1.55 0.00 0.00 64.86 66.28 2k3d h ILE 90 Cb 1.24 1.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 2k3d h ILE 90 CO 0.13 0.01 -0.15 -0.07 -1.05 0.00 0.00 178.15 177.02 2k3d h LEU 91 N 0.00 0.39 -1.65 0.16 3.38 -1.64 -2.34 115.31 113.60 2k3d h LEU 91 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k3d h LEU 91 Cb 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k3d h LEU 91 CO 0.00 0.57 0.26 -0.08 0.09 0.00 0.00 178.44 179.28 2k3d h GLU 92 N 0.37 0.00 -0.97 1.13 4.81 -1.35 -0.88 114.58 117.69 2k3d h GLU 92 Ca 0.07 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2k3d h GLU 92 Cb 0.49 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2k3d h GLU 92 CO 0.03 0.00 0.63 1.25 -0.73 0.00 0.00 179.01 180.19 2k3d h HIS 93 N 0.00 1.14 -2.72 0.92 2.76 -1.59 -3.06 115.15 112.60 2k3d h HIS 93 Ca 0.00 0.03 -0.80 0.00 -2.20 0.00 0.00 60.37 57.40 2k3d h HIS 93 Cb 0.52 -0.38 -0.26 0.00 1.55 0.00 0.00 27.41 28.85 2k3d h HIS 93 CO 0.00 0.59 0.96 0.72 -1.30 0.00 0.00 177.93 178.90 2k3d n HIS 94 N -4.49 2.65 1.48 5.26 8.25 -0.34 -4.72 115.22 123.31 2k3d n HIS 94 Ca 0.15 -2.73 0.15 0.00 -0.26 0.00 0.00 57.72 55.02 2k3d n HIS 94 Cb 0.19 -1.42 0.77 0.00 1.12 0.00 0.00 29.99 30.65 2k3d n HIS 94 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k3d n HIS 95 N 1.89 0.00 0.00 4.41 -0.00 -1.16 -3.86 115.22 116.50 2k3d n HIS 95 Ca 0.28 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.46 2k3d n HIS 95 Cb 0.34 -0.24 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 2k3d n HIS 95 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k3d n HIS 96 N -1.24 0.00 -0.20 1.57 8.25 -1.26 -3.28 115.22 119.06 2k3d n HIS 96 Ca 0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2k3d n HIS 96 Cb 0.22 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.17 2k3d n HIS 96 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k3d h HIS 97 N 0.00 0.77 0.00 4.41 -0.00 -2.01 -3.56 115.15 114.76 2k3d h HIS 97 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2k3d h HIS 97 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.16 2k3d h HIS 97 CO -0.05 0.56 0.00 1.58 -0.00 0.00 0.00 177.93 180.01