#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 0.44 -0.30 0.00 0.04 -2.06 -1.78 116.94 113.28 2k3d h PHE 13 Ca 0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2k3d h PHE 13 Cb 0.00 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 2k3d h PHE 13 CO 0.00 0.42 0.10 0.74 -0.60 0.00 0.00 178.31 178.97 2k3d h PHE 14 N 0.43 0.41 -0.78 -0.55 0.04 -2.02 -2.09 116.94 112.39 2k3d h PHE 14 Ca 0.10 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 2k3d h PHE 14 Cb 0.22 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2k3d h PHE 14 CO 0.01 0.35 0.35 -0.97 -0.60 0.00 0.00 178.31 177.44 2k3d h ASN 15 N 0.42 1.04 -0.55 2.17 -0.73 -1.77 -1.64 115.58 114.52 2k3d h ASN 15 Ca 0.10 -0.15 -0.11 0.00 1.87 0.00 0.00 56.30 58.02 2k3d h ASN 15 Cb 0.12 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 2k3d h ASN 15 CO -0.01 0.90 -0.07 -0.33 -0.37 0.00 0.00 177.43 177.55 2k3d h GLU 16 N 1.10 1.03 -0.71 6.67 5.08 -1.40 -2.49 114.58 123.86 2k3d h GLU 16 Ca 0.26 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2k3d h GLU 16 Cb 0.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2k3d h GLU 16 CO -0.03 1.04 0.25 1.96 -1.00 0.00 0.00 179.01 181.24 2k3d h GLN 17 N 0.92 1.08 -0.68 2.33 1.08 -1.05 -1.35 115.11 117.45 2k3d h GLN 17 Ca 0.15 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 2k3d h GLN 17 Cb 0.62 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 2k3d h GLN 17 CO 0.04 0.90 0.26 0.87 -0.95 0.00 0.00 178.83 179.95 2k3d h LYS 18 N 1.05 1.02 -0.49 1.46 1.57 -1.08 -1.40 116.57 118.70 2k3d h LYS 18 Ca 0.24 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2k3d h LYS 18 Cb 0.25 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2k3d h LYS 18 CO -0.01 0.86 0.03 1.49 -0.57 0.00 0.00 179.45 181.25 2k3d h GLU 19 N 0.97 0.84 -0.42 3.15 4.81 -1.01 -0.37 114.58 122.54 2k3d h GLU 19 Ca 0.22 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2k3d h GLU 19 Cb 0.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2k3d h GLU 19 CO -0.02 0.86 0.15 0.87 -0.73 0.00 0.00 179.01 180.15 2k3d h LYS 20 N 0.70 0.64 -0.48 1.92 1.79 -1.01 -2.56 116.57 117.57 2k3d h LYS 20 Ca 0.14 -0.13 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 2k3d h LYS 20 Cb 0.46 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2k3d h LYS 20 CO 0.02 0.62 -0.09 0.28 -1.08 0.00 0.00 179.45 179.19 2k3d h VAL 21 N 0.54 1.27 -0.51 0.50 2.07 -1.16 -2.58 116.25 116.37 2k3d h VAL 21 Ca 0.14 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.50 2k3d h VAL 21 Cb 0.23 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2k3d h VAL 21 CO -0.01 0.42 0.21 0.74 0.02 0.00 0.00 177.57 178.95 2k3d h THR 22 N 0.76 0.87 -0.56 2.57 2.02 -0.87 0.93 112.91 118.62 2k3d h THR 22 Ca 0.12 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2k3d h THR 22 Cb 0.64 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2k3d h THR 22 CO 0.04 0.07 0.16 0.25 0.37 0.00 0.00 175.52 176.41 2k3d h LEU 23 N 0.41 0.83 -0.59 2.58 5.85 -1.38 -1.81 115.31 121.20 2k3d h LEU 23 Ca 0.24 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2k3d h LEU 23 Cb 0.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2k3d h LEU 23 CO -0.22 0.83 0.39 0.22 -0.34 0.00 0.00 178.44 179.32 2k3d h TYR 24 N 0.79 0.74 -0.58 1.25 3.20 -0.92 -1.48 116.97 119.97 2k3d h TYR 24 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2k3d h TYR 24 Cb 0.31 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2k3d h TYR 24 CO 0.02 0.46 0.25 -0.07 -1.64 0.00 0.00 178.16 177.19 2k3d h LEU 25 N 0.80 0.78 -0.52 2.82 3.38 -0.58 0.17 115.31 122.15 2k3d h LEU 25 Ca 0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2k3d h LEU 25 Cb -0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2k3d h LEU 25 CO -0.05 0.71 0.20 0.11 0.09 0.00 0.00 178.44 179.50 2k3d h LYS 26 N 0.79 0.78 -0.01 1.13 1.57 -0.92 0.34 116.57 120.26 2k3d h LYS 26 Ca 0.19 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 2k3d h LYS 26 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2k3d h LYS 26 CO -0.02 0.70 -0.81 0.45 -0.57 0.00 0.00 179.45 179.20 2k3d h HIS 27 N 0.70 0.22 -0.00 -1.35 3.86 -1.09 -3.11 115.15 114.38 2k3d h HIS 27 Ca 0.17 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2k3d h HIS 27 Cb 0.22 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2k3d h HIS 27 CO 0.01 0.90 -0.32 0.09 0.86 0.00 0.00 177.93 179.47 2k3d n ASN 28 N -3.68 0.75 -3.64 2.45 3.02 0.58 -4.68 115.26 110.06 2k3d n ASN 28 Ca -0.03 -0.58 -0.28 0.00 -0.03 0.00 0.00 54.58 53.66 2k3d n ASN 28 Cb 0.77 0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 39.91 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 -2.69 0.22 -0.31 2.41 1.01 0.12 -4.22 121.20 117.73 2k3d s ILE 29 Ca 0.20 -0.63 0.27 0.00 0.00 0.00 0.00 60.65 60.49 2k3d s ILE 29 Cb 0.19 -0.98 0.30 0.00 0.01 0.00 0.00 42.46 41.98 2k3d s ILE 29 CO 0.58 -0.46 1.80 1.55 0.00 0.00 0.00 174.94 178.41 2k3d h PRO 30 N 8.32 0.00 -0.61 2.79 0.13 -1.83 -2.55 132.00 138.25 2k3d h PRO 30 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2k3d h PRO 30 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2k3d h PRO 30 CO 0.37 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.67 2k3d n ASP 31 N -2.53 3.42 -4.69 1.44 2.03 -1.26 -4.96 116.55 110.00 2k3d n ASP 31 Ca 0.02 -2.11 -0.44 0.00 0.52 0.00 0.00 54.79 52.78 2k3d n ASP 31 Cb 0.28 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 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 1.14 2.43 0.00 -0.67 -0.00 -0.96 -4.84 117.46 114.55 2k3d n PHE 32 Ca 0.20 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.94 2k3d n PHE 32 Cb 0.58 -2.54 0.00 0.00 -0.00 0.00 0.00 39.48 37.51 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 2.80 0.17 -3.80 -2.13 5.15 -1.26 -5.07 115.26 111.12 2k3d n ASN 33 Ca 0.13 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.00 2k3d n ASN 33 Cb 0.32 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.49 2k3d n ASN 33 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2k3d s THR 34 N -1.91 0.09 -0.02 -0.44 -1.32 -1.26 -4.96 115.64 105.83 2k3d s THR 34 Ca 0.00 -0.78 0.02 0.00 -1.21 0.00 0.00 61.69 59.72 2k3d s THR 34 Cb 0.00 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 2k3d s THR 34 CO 0.00 -0.43 -0.06 0.54 -2.21 0.00 0.00 174.62 172.46 2k3d s VAL 35 N -2.53 0.51 -0.11 5.08 0.11 -1.26 -1.47 120.40 120.73 2k3d s VAL 35 Ca -0.05 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2k3d s VAL 35 Cb -0.01 -0.46 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2k3d s VAL 35 CO -0.03 0.17 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.91 2k3d s THR 36 N 0.14 1.15 -0.25 5.04 2.01 -0.34 -5.01 115.64 118.39 2k3d s THR 36 Ca -0.01 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 2k3d s THR 36 Cb -0.06 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2k3d s THR 36 CO -0.00 0.38 0.28 -0.36 -0.69 0.00 0.00 174.62 174.24 2k3d s PHE 37 N 1.47 3.29 -0.05 4.92 0.08 -1.26 -2.00 117.98 124.44 2k3d s PHE 37 Ca 0.01 0.36 0.14 0.00 0.12 0.00 0.00 56.93 57.56 2k3d s PHE 37 Cb -0.13 -2.44 -0.22 0.00 -0.57 0.00 0.00 43.02 39.66 2k3d s PHE 37 CO -0.06 -0.07 0.26 0.25 -0.10 0.00 0.00 175.22 175.49 2k3d n THR 38 N 4.66 0.23 -4.36 0.64 -2.24 -0.95 -4.98 114.28 107.27 2k3d n THR 38 Ca -0.11 -0.40 -0.32 0.00 -2.27 0.00 0.00 64.05 60.95 2k3d n THR 38 Cb 0.51 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.95 4.71 -0.45 3.42 0.01 -1.04 -5.02 114.94 112.62 2k3d s ASN 39 Ca -0.06 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 51.95 2k3d s ASN 39 Cb 0.08 -1.10 0.20 0.00 0.41 0.00 0.00 41.25 40.84 2k3d s ASN 39 CO 0.61 0.25 0.86 -0.70 -1.51 0.00 0.00 177.10 176.62 2k3d s GLU 40 N -1.65 0.75 0.00 -0.60 2.12 -1.26 -4.08 118.70 113.97 2k3d s GLU 40 Ca 0.19 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2k3d s GLU 40 Cb -0.11 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.25 2k3d s GLU 40 CO 0.10 -0.92 0.00 -0.85 -0.54 0.00 0.00 175.26 173.05 2k3d n GLU 41 N 2.87 0.00 -3.84 4.30 0.28 -1.26 -5.12 120.64 117.86 2k3d n GLU 41 Ca 0.15 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.80 2k3d n GLU 41 Cb 0.59 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.37 2k3d n GLU 41 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2k3d s PHE 42 N -3.19 3.27 0.38 -1.84 -0.12 -1.26 -3.83 117.98 111.39 2k3d s PHE 42 Ca 0.00 0.09 0.04 0.00 -0.05 0.00 0.00 56.93 57.01 2k3d s PHE 42 Cb 0.00 -2.16 -0.01 0.00 -0.63 0.00 0.00 43.02 40.22 2k3d s PHE 42 CO 0.00 0.08 0.55 -0.80 -0.05 0.00 0.00 175.22 175.01 2k3d s ASN 43 N 0.72 5.93 0.30 1.98 0.01 0.74 -4.91 114.94 119.70 2k3d s ASN 43 Ca 0.05 0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 2k3d s ASN 43 Cb -0.13 -1.40 0.74 0.00 0.41 0.00 0.00 41.25 40.87 2k3d s ASN 43 CO 0.02 -0.54 1.78 -0.65 -1.51 0.00 0.00 177.10 176.20 2k3d h PRO 44 N 0.68 0.75 -0.00 -0.60 0.11 -1.98 0.63 132.00 131.59 2k3d h PRO 44 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2k3d h PRO 44 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2k3d h PRO 44 CO 0.55 0.49 -0.04 -0.89 -0.21 0.00 0.00 178.00 177.91 2k3d n ILE 45 N -4.76 0.00 0.00 4.15 5.41 -1.26 -4.98 119.36 117.92 2k3d n ILE 45 Ca 0.23 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.96 2k3d n ILE 45 Cb 0.57 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 39.15 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 1.22 0.89 3.09 7.39 0.00 0.22 -5.06 105.19 112.94 2k3d n GLY 46 Ca 0.16 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 1.28 0.02 -0.61 -4.36 -1.26 0.26 121.20 116.54 2k3d s ILE 47 Ca 0.00 -0.62 0.01 0.00 -0.26 0.00 0.00 60.65 59.78 2k3d s ILE 47 Cb 0.00 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.57 2k3d s ILE 47 CO 0.00 0.38 -0.04 -0.44 0.24 0.00 0.00 174.94 175.08 2k3d s SER 48 N 0.24 0.41 -0.05 4.36 0.01 -1.25 -2.49 113.70 114.92 2k3d s SER 48 Ca -0.07 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.76 2k3d s SER 48 Cb -0.12 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 2k3d s SER 48 CO 0.03 -0.24 -0.17 -0.63 0.41 0.00 0.00 173.24 172.63 2k3d s ILE 49 N -1.31 1.47 0.06 1.44 1.01 -0.08 -4.25 121.20 119.54 2k3d s ILE 49 Ca -0.13 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2k3d s ILE 49 Cb -0.09 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2k3d s ILE 49 CO -0.01 0.42 -0.17 -0.62 0.00 0.00 0.00 174.94 174.57 2k3d s ASP 50 N 0.18 2.06 0.00 3.58 -1.08 -1.26 -0.80 116.67 119.35 2k3d s ASP 50 Ca -0.07 -0.55 0.00 0.00 -0.52 0.00 0.00 52.55 51.40 2k3d s ASP 50 Cb -0.13 -0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.20 2k3d s ASP 50 CO 0.03 0.05 0.00 0.61 0.52 0.00 0.00 175.17 176.38 2k3d n GLY 51 N 1.59 0.93 3.24 2.66 0.00 -0.88 -2.25 105.19 110.48 2k3d n GLY 51 Ca -0.19 -0.75 -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 -2.92 0.57 0.29 1.61 -0.85 -0.84 -0.88 117.35 114.32 2k3d s TYR 52 Ca 0.00 -0.95 0.07 0.00 -0.52 0.00 0.00 57.07 55.67 2k3d s TYR 52 Cb 0.00 -0.24 -0.06 0.00 0.38 0.00 0.00 41.96 42.04 2k3d s TYR 52 CO 0.00 -0.61 -0.07 0.96 -1.52 0.00 0.00 175.55 174.32 2k3d s ILE 53 N -3.99 1.76 -1.60 -3.49 -4.36 -0.95 -1.20 121.20 107.38 2k3d s ILE 53 Ca 0.18 -2.15 -0.02 0.00 -0.26 0.00 0.00 60.65 58.40 2k3d s ILE 53 Cb 0.05 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.29 2k3d s ILE 53 CO -0.01 -0.29 0.27 0.59 0.24 0.00 0.00 174.94 175.75 2k3d n ASN 54 N -0.62 -5.69 -2.44 4.36 3.02 -0.54 -1.71 115.26 111.65 2k3d n ASN 54 Ca -0.05 -0.13 -0.09 0.00 -0.03 0.00 0.00 54.58 54.28 2k3d n ASN 54 Cb 0.63 -4.68 -0.01 0.00 -0.61 0.00 0.00 39.78 35.12 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 -2.22 -3.19 -4.21 6.41 5.03 -1.26 -4.90 115.26 110.92 2k3d n ASN 55 Ca -0.17 0.27 -0.35 0.00 0.87 0.00 0.00 54.58 55.19 2k3d n ASN 55 Cb 0.65 -2.76 -0.14 0.00 -1.02 0.00 0.00 39.78 36.51 2k3d n ASN 55 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2k3d s ASP 56 N -2.02 4.83 0.46 6.41 1.01 -0.69 -4.96 116.67 121.71 2k3d s ASP 56 Ca 0.00 -1.10 0.13 0.00 0.71 0.00 0.00 52.55 52.29 2k3d s ASP 56 Cb 0.00 -1.74 1.08 0.00 1.01 0.00 0.00 42.92 43.27 2k3d s ASP 56 CO 0.00 -0.23 2.07 0.11 0.21 0.00 0.00 175.17 177.33 2k3d h LYS 57 N 8.06 0.28 -0.79 8.23 1.57 -1.90 -1.32 116.57 130.69 2k3d h LYS 57 Ca -0.25 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 2k3d h LYS 57 Cb 1.08 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 2k3d h LYS 57 CO 0.56 0.19 0.36 -0.91 -0.57 0.00 0.00 179.45 179.08 2k3d h ASN 58 N 0.29 1.05 -1.05 0.86 -0.26 -1.94 -3.31 115.58 111.23 2k3d h ASN 58 Ca 0.13 -0.14 -0.70 0.00 -0.56 0.00 0.00 56.30 55.04 2k3d h ASN 58 Cb 0.16 -0.27 -0.10 0.00 -1.06 0.00 0.00 38.32 37.05 2k3d h ASN 58 CO -0.03 0.90 2.12 0.18 -1.06 0.00 0.00 177.43 179.55 2k3d n LEU 59 N -4.30 5.19 -4.83 1.61 4.77 -0.50 -4.66 117.00 114.28 2k3d n LEU 59 Ca 0.08 -4.06 -0.26 0.00 -0.03 0.00 0.00 56.01 51.74 2k3d n LEU 59 Cb 0.15 -1.71 -0.05 0.00 -2.33 0.00 0.00 43.42 39.48 2k3d n LEU 59 CO 0.40 0.37 -0.19 -0.55 -1.33 0.00 0.00 177.39 176.09 2k3d s SER 60 N 3.80 5.71 0.09 -1.43 0.15 -1.25 -2.24 113.70 118.53 2k3d s SER 60 Ca 0.51 -0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.97 2k3d s SER 60 Cb 0.04 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.82 2k3d s SER 60 CO 0.05 0.06 0.30 0.72 1.20 0.00 0.00 173.24 175.57 2k3d s PHE 61 N -1.76 -0.05 -0.01 3.44 -0.71 -0.06 -2.29 117.98 116.53 2k3d s PHE 61 Ca 0.32 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 55.98 2k3d s PHE 61 Cb -0.10 0.10 -0.00 0.00 -1.21 0.00 0.00 43.02 41.80 2k3d s PHE 61 CO 0.25 -0.58 -0.07 0.99 -1.34 0.00 0.00 175.22 174.46 2k3d s THR 62 N -3.42 0.59 -0.03 -4.49 2.01 -0.65 -2.08 115.64 107.56 2k3d s THR 62 Ca 0.01 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.74 2k3d s THR 62 Cb 0.02 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.02 2k3d s THR 62 CO -0.09 0.18 -0.12 0.00 -0.69 0.00 0.00 174.62 173.90 2k3d s ALA 63 N -0.04 1.12 -0.07 7.40 0.00 0.02 -1.17 121.76 129.01 2k3d s ALA 63 Ca 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2k3d s ALA 63 Cb -0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2k3d s ALA 63 CO -0.00 0.19 -0.11 0.20 0.00 0.00 0.00 175.76 176.04 2k3d s GLY 64 N 0.17 1.60 0.00 0.00 0.00 0.11 -0.90 107.32 108.30 2k3d s GLY 64 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2k3d s GLY 64 CO 0.01 -0.61 0.00 0.28 0.00 0.00 0.00 173.10 172.79 2k3d n LYS 65 N 2.52 0.00 -1.34 2.90 4.76 -1.04 -1.27 118.16 124.69 2k3d n LYS 65 Ca -0.18 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.07 2k3d n LYS 65 Cb 0.53 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.60 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k3d n ASP 66 N -3.98 1.13 -1.76 4.39 8.00 -1.26 -3.67 116.55 119.40 2k3d n ASP 66 Ca 0.00 -2.44 -0.02 0.00 0.71 0.00 0.00 54.79 53.04 2k3d n ASP 66 Cb 0.00 -1.45 -0.00 0.00 -0.02 0.00 0.00 41.12 39.65 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 8.53 -0.04 -0.15 2.53 0.31 -1.17 -4.58 118.33 123.75 2k3d n VAL 67 Ca 0.41 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.64 2k3d n VAL 67 Cb 0.46 -0.21 -0.00 0.00 -0.91 0.00 0.00 33.84 33.18 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 0.68 -5.19 5.55 1.63 -1.26 -3.42 116.57 114.56 2k3d h LYS 68 Ca -0.04 -0.15 -0.66 0.00 -0.85 0.00 0.00 60.65 58.96 2k3d h LYS 68 Cb 0.57 -0.10 -0.33 0.00 -0.60 0.00 0.00 32.23 31.77 2k3d h LYS 68 CO 0.05 0.66 -0.87 0.42 -3.45 0.00 0.00 179.45 176.26 2k3d s ILE 69 N -5.40 1.94 -0.05 2.00 1.01 -1.07 -4.96 121.20 114.67 2k3d s ILE 69 Ca -0.13 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.60 2k3d s ILE 69 Cb 0.11 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.90 2k3d s ILE 69 CO 0.77 0.53 -0.07 0.12 0.00 0.00 0.00 174.94 176.29 2k3d s PHE 70 N 0.53 0.95 0.09 3.97 5.36 -1.26 0.08 117.98 127.70 2k3d s PHE 70 Ca -0.15 -0.30 0.05 0.00 -0.96 0.00 0.00 56.93 55.57 2k3d s PHE 70 Cb -0.17 -0.78 -0.03 0.00 -0.34 0.00 0.00 43.02 41.70 2k3d s PHE 70 CO 0.05 -0.21 -0.14 -1.12 -1.46 0.00 0.00 175.22 172.34 2k3d s SER 71 N 0.83 1.76 0.04 6.13 0.01 -0.32 -5.00 113.70 117.16 2k3d s SER 71 Ca -0.12 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.38 2k3d s SER 71 Cb -0.15 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 2k3d s SER 71 CO 0.01 -0.12 0.07 -0.94 0.41 0.00 0.00 173.24 172.67 2k3d s SER 72 N -2.08 0.23 0.89 2.44 1.04 -1.26 -1.64 113.70 113.31 2k3d s SER 72 Ca 0.03 -0.61 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 2k3d s SER 72 Cb -0.07 0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.39 2k3d s SER 72 CO 0.02 -0.52 1.13 -0.94 0.98 0.00 0.00 173.24 173.91 2k3d s SER 73 N -2.22 3.69 0.20 7.02 1.04 -0.97 -4.66 113.70 117.79 2k3d s SER 73 Ca -0.04 1.05 -0.11 0.00 0.48 0.00 0.00 55.95 57.33 2k3d s SER 73 Cb -0.00 -1.67 0.14 0.00 0.10 0.00 0.00 66.02 64.59 2k3d s SER 73 CO -0.05 -2.45 1.87 -0.08 0.98 0.00 0.00 173.24 173.51 2k3d h GLU 74 N -1.42 0.92 -0.39 4.02 4.81 -1.92 1.64 114.58 122.23 2k3d h GLU 74 Ca -0.50 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.59 2k3d h GLU 74 Cb 1.32 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2k3d h GLU 74 CO 0.61 0.61 -0.10 0.93 -0.73 0.00 0.00 179.01 180.33 2k3d h GLU 75 N 0.95 0.68 0.00 1.92 4.39 -1.93 -2.35 114.58 118.23 2k3d h GLU 75 Ca 0.26 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2k3d h GLU 75 Cb -0.10 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2k3d h GLU 75 CO -0.06 0.76 -0.59 1.25 -1.16 0.00 0.00 179.01 179.22 2k3d h LEU 76 N 0.62 0.00 -0.31 1.33 5.85 -1.66 -3.30 115.31 117.84 2k3d h LEU 76 Ca 0.11 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2k3d h LEU 76 Cb 0.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2k3d h LEU 76 CO 0.03 0.10 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.41 2k3d h ASP 77 N 0.00 0.58 1.07 1.25 3.58 0.29 -2.64 116.42 120.55 2k3d h ASP 77 Ca -0.01 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2k3d h ASP 77 Cb 1.09 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2k3d h ASP 77 CO 0.01 0.78 0.00 0.07 -2.88 0.00 0.00 179.24 177.22 2k3d h LYS 78 N 0.36 0.00 0.20 0.28 2.10 -1.58 -3.28 116.57 114.66 2k3d h LYS 78 Ca 0.08 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 2k3d h LYS 78 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2k3d h LYS 78 CO 0.02 0.00 -0.10 0.52 -2.00 0.00 0.00 179.45 177.90 2k3d h MET 79 N 0.00 -0.26 -6.79 0.07 2.86 -1.55 -3.44 114.93 105.81 2k3d h MET 79 Ca 0.00 0.02 -0.51 0.00 -2.06 0.00 0.00 59.70 57.14 2k3d h MET 79 Cb 0.54 0.06 0.03 0.00 0.06 0.00 0.00 31.60 32.29 2k3d h MET 79 CO 0.00 -0.18 0.55 -0.59 1.06 0.00 0.00 176.91 177.75 2k3d s PHE 80 N -2.43 3.39 -0.27 -0.22 -0.71 -1.04 -4.94 117.98 111.75 2k3d s PHE 80 Ca -0.04 1.54 0.21 0.00 -1.04 0.00 0.00 56.93 57.60 2k3d s PHE 80 Cb 0.00 -3.44 0.50 0.00 -1.21 0.00 0.00 43.02 38.88 2k3d s PHE 80 CO 0.12 -1.12 1.12 0.94 -1.34 0.00 0.00 175.22 174.94 2k3d n GLN 81 N 1.45 1.95 -4.29 1.99 7.27 -1.26 -4.90 117.38 119.59 2k3d n GLN 81 Ca 0.01 -3.59 -0.29 0.00 0.07 0.00 0.00 57.00 53.20 2k3d n GLN 81 Cb 0.44 -1.68 -0.11 0.00 2.41 0.00 0.00 30.24 31.30 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k3d s GLU 82 N -3.77 1.89 0.73 3.69 8.01 -1.26 -5.12 118.70 122.87 2k3d s GLU 82 Ca 0.30 -1.17 -0.14 0.00 0.01 0.00 0.00 54.97 53.97 2k3d s GLU 82 Cb 0.33 -2.15 0.04 0.00 -4.31 0.00 0.00 34.13 28.04 2k3d s GLU 82 CO -0.03 0.48 1.14 -1.25 0.01 0.00 0.00 175.26 175.61 2k3d s PRO 83 N -2.28 2.29 0.16 0.39 0.04 -1.26 -4.96 135.00 129.38 2k3d s PRO 83 Ca 0.20 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 2k3d s PRO 83 Cb -0.10 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 2k3d s PRO 83 CO 0.12 -1.66 1.32 1.03 0.04 0.00 0.00 177.00 177.85 2k3d s ARG 84 N -4.25 4.38 -0.11 4.56 0.52 -1.26 -5.01 118.95 117.78 2k3d s ARG 84 Ca 0.68 2.03 -0.22 0.00 -0.52 0.00 0.00 55.73 57.71 2k3d s ARG 84 Cb -0.23 -3.22 0.05 0.00 0.52 0.00 0.00 34.95 32.07 2k3d s ARG 84 CO 0.47 -0.30 0.53 -1.59 0.02 0.00 0.00 175.30 174.42 2k3d s LYS 85 N 0.34 0.78 0.77 3.54 -2.85 -1.26 -5.15 119.74 115.90 2k3d s LYS 85 Ca 0.59 0.36 -0.11 0.00 -1.00 0.00 0.00 55.97 55.80 2k3d s LYS 85 Cb -0.36 0.37 0.06 0.00 -2.06 0.00 0.00 37.83 35.83 2k3d s LYS 85 CO 0.35 -0.18 1.14 0.20 0.10 0.00 0.00 175.35 176.96 2k3d s GLY 86 N -0.59 1.61 0.14 0.59 0.00 -1.26 -4.90 107.32 102.91 2k3d s GLY 86 Ca -0.07 -0.57 -0.16 0.00 0.00 0.00 0.00 44.72 43.93 2k3d s GLY 86 CO 0.05 -0.12 1.71 -1.82 0.00 0.00 0.00 173.10 172.92 2k3d h TYR 87 N -0.89 0.59 -0.24 1.90 5.03 -1.87 -2.34 116.97 119.16 2k3d h TYR 87 Ca -0.46 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 60.76 2k3d h TYR 87 Cb 1.30 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.39 2k3d h TYR 87 CO 0.38 0.49 -0.12 0.38 -1.32 0.00 0.00 178.16 177.97 2k3d h ASP 88 N 0.52 0.37 0.16 -2.11 2.03 -1.93 -1.10 116.42 114.35 2k3d h ASP 88 Ca 0.14 -0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 2k3d h ASP 88 Cb 0.12 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2k3d h ASP 88 CO -0.02 0.52 -0.08 -0.08 -1.03 0.00 0.00 179.24 178.56 2k3d h GLU 89 N 0.36 -0.21 0.00 4.15 4.22 -1.81 -2.06 114.58 119.23 2k3d h GLU 89 Ca 0.07 0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.45 2k3d h GLU 89 Cb 0.43 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2k3d h GLU 89 CO 0.02 -0.02 -0.38 0.97 -2.18 0.00 0.00 179.01 177.43 2k3d h ILE 90 N -0.37 1.23 -0.53 2.32 2.10 -1.31 0.79 117.51 121.74 2k3d h ILE 90 Ca -0.02 -1.30 -0.01 0.00 1.08 0.00 0.00 64.86 64.60 2k3d h ILE 90 Cb 0.29 1.71 -0.02 0.00 -1.09 0.00 0.00 36.82 37.70 2k3d h ILE 90 CO 0.04 0.37 0.28 0.25 -1.08 0.00 0.00 178.15 178.00 2k3d h LEU 91 N 0.00 0.67 0.04 2.19 5.85 -0.87 -3.09 115.31 120.10 2k3d h LEU 91 Ca -0.00 -0.11 -0.31 0.00 0.84 0.00 0.00 57.88 58.29 2k3d h LEU 91 Cb 0.68 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2k3d h LEU 91 CO 0.05 0.59 -1.79 -1.84 -0.34 0.00 0.00 178.44 175.11 2k3d n GLU 92 N -4.61 0.67 -3.07 1.25 0.28 -0.81 -5.04 120.64 109.32 2k3d n GLU 92 Ca 0.03 0.29 -0.00 0.00 -0.16 0.00 0.00 57.16 57.31 2k3d n GLU 92 Cb 0.10 -1.77 -0.00 0.00 1.43 0.00 0.00 31.44 31.19 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 -3.19 -0.55 0.25 -1.84 -0.00 0.27 -4.79 115.22 105.37 2k3d n HIS 93 Ca -0.21 0.29 0.11 0.00 0.46 0.00 0.00 57.72 58.37 2k3d n HIS 93 Cb 1.05 -1.38 0.64 0.00 -0.12 0.00 0.00 29.99 30.18 2k3d n HIS 93 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k3d h HIS 94 N 4.35 0.00 -5.29 1.57 3.86 -1.93 -3.48 115.15 114.23 2k3d h HIS 94 Ca -0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2k3d h HIS 94 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2k3d h HIS 94 CO 0.00 0.16 -0.91 0.72 0.86 0.00 0.00 177.93 178.76 2k3d n HIS 95 N -3.65 -3.60 -0.19 2.45 8.25 -1.26 -4.90 115.22 112.33 2k3d n HIS 95 Ca -0.01 1.57 -0.10 0.00 -0.26 0.00 0.00 57.72 58.91 2k3d n HIS 95 Cb 0.29 -3.77 0.01 0.00 1.12 0.00 0.00 29.99 27.64 2k3d n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2k3d h HIS 96 N 2.89 1.11 0.00 4.41 3.86 -2.03 -3.42 115.15 121.97 2k3d h HIS 96 Ca -0.01 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2k3d h HIS 96 Cb 0.30 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2k3d h HIS 96 CO 0.03 1.03 0.00 1.58 0.86 0.00 0.00 177.93 181.42 2k3d n HIS 97 N -4.19 0.00 -0.34 2.45 -0.00 -1.26 -5.34 115.22 106.53 2k3d n HIS 97 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2k3d n HIS 97 Cb 0.38 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.25 2k3d n HIS 97 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38