#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 0.65 -0.73 0.00 3.57 -2.06 -1.82 116.94 116.55 2k3d h PHE 13 Ca 0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2k3d h PHE 13 Cb 0.00 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 2k3d h PHE 13 CO 0.00 0.46 0.21 0.74 -2.23 0.00 0.00 178.31 177.49 2k3d h PHE 14 N 0.65 1.20 -0.78 0.41 0.04 -2.06 -2.48 116.94 113.92 2k3d h PHE 14 Ca 0.18 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2k3d h PHE 14 Cb 0.00 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 37.77 2k3d h PHE 14 CO -0.03 0.96 0.36 -0.97 -0.60 0.00 0.00 178.31 178.03 2k3d h ASN 15 N 1.10 1.04 -0.48 2.17 -0.73 -1.91 -2.37 115.58 114.40 2k3d h ASN 15 Ca 0.23 -0.14 -0.10 0.00 1.87 0.00 0.00 56.30 58.16 2k3d h ASN 15 Cb 0.34 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2k3d h ASN 15 CO -0.00 0.89 -0.08 -0.33 -0.37 0.00 0.00 177.43 177.54 2k3d h GLU 16 N 1.12 0.94 -0.71 6.67 4.39 -1.10 -2.54 114.58 123.34 2k3d h GLU 16 Ca 0.27 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2k3d h GLU 16 Cb 0.14 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2k3d h GLU 16 CO -0.03 0.98 0.22 1.96 -1.16 0.00 0.00 179.01 180.97 2k3d h GLN 17 N 0.85 1.11 -0.70 2.33 7.50 -1.13 -2.22 115.11 122.85 2k3d h GLN 17 Ca 0.14 -0.24 -0.07 0.00 0.50 0.00 0.00 58.65 58.98 2k3d h GLN 17 Cb 0.61 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.95 2k3d h GLN 17 CO 0.04 0.96 0.16 0.87 -1.50 0.00 0.00 178.83 179.36 2k3d h LYS 18 N 1.06 1.12 -0.59 1.46 1.57 -1.26 -2.59 116.57 117.34 2k3d h LYS 18 Ca 0.23 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2k3d h LYS 18 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2k3d h LYS 18 CO -0.01 1.00 0.06 1.49 -0.57 0.00 0.00 179.45 181.42 2k3d h GLU 19 N 1.06 1.00 -0.47 3.15 4.57 -1.18 -1.30 114.58 121.41 2k3d h GLU 19 Ca 0.22 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2k3d h GLU 19 Cb 0.38 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 2k3d h GLU 19 CO 0.00 0.96 0.19 0.87 -1.18 0.00 0.00 179.01 179.86 2k3d h LYS 20 N 0.89 0.69 -0.31 1.92 1.57 -1.24 -0.08 116.57 120.02 2k3d h LYS 20 Ca 0.17 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2k3d h LYS 20 Cb 0.48 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2k3d h LYS 20 CO 0.02 0.62 -0.08 0.28 -0.57 0.00 0.00 179.45 179.72 2k3d h VAL 21 N 0.61 1.28 -0.49 0.50 2.07 -1.35 -2.09 116.25 116.78 2k3d h VAL 21 Ca 0.16 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2k3d h VAL 21 Cb 0.18 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2k3d h VAL 21 CO -0.01 0.36 0.18 0.74 0.02 0.00 0.00 177.57 178.86 2k3d h THR 22 N 0.38 1.22 -0.57 2.57 2.02 -1.10 -2.06 112.91 115.37 2k3d h THR 22 Ca 0.08 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 2k3d h THR 22 Cb 0.57 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2k3d h THR 22 CO 0.03 0.26 0.26 0.25 0.37 0.00 0.00 175.52 176.69 2k3d h LEU 23 N 0.65 0.77 -0.19 2.58 5.85 -0.96 -0.33 115.31 123.68 2k3d h LEU 23 Ca 0.16 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2k3d h LEU 23 Cb 0.23 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2k3d h LEU 23 CO -0.01 0.70 0.09 0.22 -0.34 0.00 0.00 178.44 179.10 2k3d h TYR 24 N 0.78 0.27 -0.62 1.25 3.20 -1.21 -2.17 116.97 118.47 2k3d h TYR 24 Ca 0.20 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2k3d h TYR 24 Cb 0.15 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2k3d h TYR 24 CO 0.00 0.29 0.16 -0.07 -1.64 0.00 0.00 178.16 176.90 2k3d h LEU 25 N 0.17 0.93 -0.62 2.82 3.38 -1.22 -1.99 115.31 118.79 2k3d h LEU 25 Ca 0.06 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2k3d h LEU 25 Cb 0.12 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2k3d h LEU 25 CO -0.01 0.92 0.40 0.50 0.09 0.00 0.00 178.44 180.34 2k3d h LYS 26 N 0.91 0.77 -0.36 1.13 3.64 -0.87 0.94 116.57 122.72 2k3d h LYS 26 Ca 0.20 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 2k3d h LYS 26 Cb 0.34 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2k3d h LYS 26 CO 0.00 0.51 -0.30 0.45 -2.27 0.00 0.00 179.45 177.84 2k3d h HIS 27 N 0.79 0.91 -0.02 1.91 3.86 -1.22 -2.76 115.15 118.63 2k3d h HIS 27 Ca 0.24 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2k3d h HIS 27 Cb -0.02 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.24 2k3d h HIS 27 CO -0.04 0.98 -0.04 0.09 0.86 0.00 0.00 177.93 179.78 2k3d n ASN 28 N -4.08 1.54 -3.32 2.45 5.03 -0.76 -4.51 115.26 111.60 2k3d n ASN 28 Ca -0.01 -1.45 -0.23 0.00 0.87 0.00 0.00 54.58 53.76 2k3d n ASN 28 Cb 0.48 0.02 -0.09 0.00 -1.02 0.00 0.00 39.78 39.18 2k3d n ASN 28 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2k3d s ILE 29 N -2.07 0.02 0.58 2.41 1.01 0.32 -3.93 121.20 119.53 2k3d s ILE 29 Ca 0.35 -1.99 0.28 0.00 0.00 0.00 0.00 60.65 59.29 2k3d s ILE 29 Cb 0.21 -0.97 0.37 0.00 0.01 0.00 0.00 42.46 42.08 2k3d s ILE 29 CO 0.36 -0.93 2.01 -0.65 0.00 0.00 0.00 174.94 175.73 2k3d h PRO 30 N 6.05 0.00 0.00 2.79 0.11 -1.78 0.35 132.00 139.53 2k3d h PRO 30 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2k3d h PRO 30 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2k3d h PRO 30 CO 0.28 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.82 2k3d n ASP 31 N -3.90 0.00 -4.71 -2.05 8.00 -1.26 -4.84 116.55 107.79 2k3d n ASP 31 Ca 0.05 -0.95 -0.43 0.00 0.71 0.00 0.00 54.79 54.17 2k3d n ASP 31 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 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 -0.98 2.65 0.05 1.24 -0.00 0.12 -4.86 117.46 115.68 2k3d n PHE 32 Ca 0.21 0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 2k3d n PHE 32 Cb 0.10 -2.66 0.00 0.00 -0.00 0.00 0.00 39.48 36.92 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 4.17 0.68 -3.83 -2.13 2.85 -1.26 -5.04 115.26 110.70 2k3d n ASN 33 Ca 0.17 0.17 -0.10 0.00 -0.11 0.00 0.00 54.58 54.70 2k3d n ASN 33 Cb 0.34 -0.15 -0.08 0.00 1.24 0.00 0.00 39.78 41.13 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 -2.00 0.11 -0.00 -0.44 -1.32 -1.26 -5.01 115.64 105.71 2k3d s THR 34 Ca 0.00 -0.88 -0.00 0.00 -1.21 0.00 0.00 61.69 59.59 2k3d s THR 34 Cb 0.00 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 2k3d s THR 34 CO 0.00 -0.49 0.01 0.54 -2.21 0.00 0.00 174.62 172.48 2k3d s VAL 35 N -2.75 0.00 -0.09 5.08 0.11 -1.26 -2.09 120.40 119.40 2k3d s VAL 35 Ca -0.04 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 2k3d s VAL 35 Cb -0.00 -0.04 0.02 0.00 -1.53 0.00 0.00 36.38 34.83 2k3d s VAL 35 CO -0.05 -0.02 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.70 2k3d s THR 36 N -0.06 1.13 -0.08 5.04 2.01 -0.82 -4.97 115.64 117.90 2k3d s THR 36 Ca -0.01 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 2k3d s THR 36 Cb -0.01 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 2k3d s THR 36 CO -0.00 0.37 0.39 -0.36 -0.69 0.00 0.00 174.62 174.33 2k3d s PHE 37 N 1.07 3.59 -0.35 4.92 0.08 -1.26 -2.28 117.98 123.76 2k3d s PHE 37 Ca -0.07 0.85 0.04 0.00 0.12 0.00 0.00 56.93 57.88 2k3d s PHE 37 Cb -0.14 -2.37 0.24 0.00 -0.57 0.00 0.00 43.02 40.17 2k3d s PHE 37 CO -0.01 0.41 1.24 -2.37 -0.10 0.00 0.00 175.22 174.38 2k3d n THR 38 N 2.81 0.00 -3.65 0.64 5.66 -0.99 -4.99 114.28 113.76 2k3d n THR 38 Ca -0.12 -0.85 -0.02 0.00 -3.05 0.00 0.00 64.05 60.01 2k3d n THR 38 Cb 0.52 0.94 -0.07 0.00 -1.55 0.00 0.00 70.33 70.17 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 -0.44 -0.29 0.53 1.09 3.84 -1.23 -4.98 114.94 113.46 2k3d s ASN 39 Ca 0.15 0.50 0.00 0.00 0.21 0.00 0.00 52.86 53.71 2k3d s ASN 39 Cb 0.22 0.90 0.00 0.00 -0.55 0.00 0.00 41.25 41.82 2k3d s ASN 39 CO -0.10 -0.08 0.00 -0.62 -2.79 0.00 0.00 177.10 173.51 2k3d n GLU 40 N 2.87 -4.53 0.00 0.43 1.02 -1.26 -3.40 120.64 115.78 2k3d n GLU 40 Ca -0.16 3.38 0.00 0.00 -0.02 0.00 0.00 57.16 60.37 2k3d n GLU 40 Cb 0.57 -3.88 0.00 0.00 -0.02 0.00 0.00 31.44 28.11 2k3d n GLU 40 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k3d n GLU 41 N -1.02 0.00 -2.55 3.49 1.02 -1.23 -4.50 120.64 115.86 2k3d n GLU 41 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 2k3d n GLU 41 Cb 0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.03 3.18 -0.02 -0.32 0.08 -1.26 0.14 117.98 119.81 2k3d s PHE 42 Ca 0.00 1.62 -0.30 0.00 0.12 0.00 0.00 56.93 58.37 2k3d s PHE 42 Cb 0.00 -3.10 0.11 0.00 -0.57 0.00 0.00 43.02 39.46 2k3d s PHE 42 CO 0.00 -0.69 1.22 -0.80 -0.10 0.00 0.00 175.22 174.85 2k3d s ASN 43 N -1.71 -0.10 0.32 1.36 -0.87 -0.87 -4.80 114.94 108.27 2k3d s ASN 43 Ca 0.61 -0.15 0.08 0.00 -1.57 0.00 0.00 52.86 51.83 2k3d s ASN 43 Cb -0.20 0.21 0.80 0.00 -0.02 0.00 0.00 41.25 42.04 2k3d s ASN 43 CO 0.25 -0.39 1.78 -0.65 -2.57 0.00 0.00 177.10 175.52 2k3d h PRO 44 N 2.00 0.68 -1.12 -0.60 0.11 -1.98 0.11 132.00 131.20 2k3d h PRO 44 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2k3d h PRO 44 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k3d h PRO 44 CO 0.27 0.45 0.00 0.44 -0.21 0.00 0.00 178.00 178.95 2k3d n ILE 45 N -4.75 0.70 0.00 4.15 -5.35 -1.26 -4.90 119.36 107.96 2k3d n ILE 45 Ca 0.24 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.72 2k3d n ILE 45 Cb 0.61 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 0.51 2.01 3.35 3.28 0.00 0.38 -4.44 105.19 110.27 2k3d n GLY 46 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 2.16 -0.16 -0.61 -4.36 -1.26 -2.06 121.20 114.91 2k3d s ILE 47 Ca 0.00 -1.37 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 2k3d s ILE 47 Cb 0.00 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.89 2k3d s ILE 47 CO 0.00 0.38 -0.20 -0.44 0.24 0.00 0.00 174.94 174.91 2k3d s SER 48 N -1.21 3.17 -0.18 4.36 0.01 0.36 -2.02 113.70 118.19 2k3d s SER 48 Ca 0.12 -0.62 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 2k3d s SER 48 Cb -0.10 -1.47 -0.02 0.00 0.21 0.00 0.00 66.02 64.63 2k3d s SER 48 CO 0.02 0.04 -0.03 -0.63 0.41 0.00 0.00 173.24 173.04 2k3d s ILE 49 N 1.06 3.71 -0.04 1.44 1.01 0.86 -3.52 121.20 125.73 2k3d s ILE 49 Ca -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 2k3d s ILE 49 Cb -0.14 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.69 2k3d s ILE 49 CO -0.07 0.46 0.10 -0.62 0.00 0.00 0.00 174.94 174.81 2k3d s ASP 50 N 0.83 -0.11 0.00 3.58 -1.08 -1.22 0.08 116.67 118.75 2k3d s ASP 50 Ca -0.01 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.23 2k3d s ASP 50 Cb -0.15 0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 2k3d s ASP 50 CO 0.02 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.28 2k3d n GLY 51 N 3.04 1.98 3.12 2.66 0.00 -1.00 -2.36 105.19 112.63 2k3d n GLY 51 Ca -0.13 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.64 0.60 0.23 1.61 -0.85 -0.97 -1.88 117.35 112.45 2k3d s TYR 52 Ca 0.00 -1.09 0.11 0.00 -0.52 0.00 0.00 57.07 55.57 2k3d s TYR 52 Cb 0.00 -0.40 -0.05 0.00 0.38 0.00 0.00 41.96 41.90 2k3d s TYR 52 CO 0.00 -0.44 -0.19 0.96 -1.52 0.00 0.00 175.55 174.36 2k3d s ILE 53 N -3.96 2.59 -1.46 -3.49 -4.36 -0.98 -1.94 121.20 107.60 2k3d s ILE 53 Ca 0.12 -2.10 -0.05 0.00 -0.26 0.00 0.00 60.65 58.37 2k3d s ILE 53 Cb 0.08 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.51 2k3d s ILE 53 CO -0.06 -0.23 0.42 0.59 0.24 0.00 0.00 174.94 175.90 2k3d n ASN 54 N -0.15 -5.25 -2.92 4.36 3.02 -0.89 -1.55 115.26 111.89 2k3d n ASN 54 Ca -0.09 -0.21 -0.16 0.00 -0.03 0.00 0.00 54.58 54.09 2k3d n ASN 54 Cb 0.57 -4.30 -0.01 0.00 -0.61 0.00 0.00 39.78 35.44 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 -2.31 -3.15 -4.23 6.41 3.02 -1.26 -4.90 115.26 108.84 2k3d n ASN 55 Ca -0.11 -0.04 -0.37 0.00 -0.03 0.00 0.00 54.58 54.03 2k3d n ASN 55 Cb 0.61 -2.68 -0.13 0.00 -0.61 0.00 0.00 39.78 36.97 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 -2.36 5.14 0.41 6.41 -1.08 -0.59 -4.97 116.67 119.63 2k3d s ASP 56 Ca 0.20 -1.22 0.10 0.00 -0.52 0.00 0.00 52.55 51.11 2k3d s ASP 56 Cb -0.11 -1.80 0.92 0.00 -1.46 0.00 0.00 42.92 40.47 2k3d s ASP 56 CO 0.24 -0.31 1.99 0.11 0.52 0.00 0.00 175.17 177.72 2k3d h LYS 57 N 8.12 0.52 -0.78 4.34 1.79 -1.90 -1.24 116.57 127.41 2k3d h LYS 57 Ca -0.22 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 2k3d h LYS 57 Cb 1.07 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.57 2k3d h LYS 57 CO 0.58 0.34 0.35 -0.91 -1.08 0.00 0.00 179.45 178.73 2k3d h ASN 58 N 0.53 1.04 -0.98 0.86 2.35 -1.95 -3.30 115.58 114.13 2k3d h ASN 58 Ca 0.27 -0.13 -0.71 0.00 -0.55 0.00 0.00 56.30 55.18 2k3d h ASN 58 Cb 0.36 -0.27 -0.10 0.00 0.05 0.00 0.00 38.32 38.37 2k3d h ASN 58 CO -0.08 0.89 2.22 0.18 -1.65 0.00 0.00 177.43 179.00 2k3d n LEU 59 N -4.30 5.57 -4.63 1.61 4.77 -0.47 -4.81 117.00 114.74 2k3d n LEU 59 Ca 0.07 -4.14 -0.25 0.00 -0.03 0.00 0.00 56.01 51.66 2k3d n LEU 59 Cb 0.15 -1.68 -0.08 0.00 -2.33 0.00 0.00 43.42 39.49 2k3d n LEU 59 CO 0.40 0.58 -0.35 -0.94 -1.33 0.00 0.00 177.39 175.75 2k3d s SER 60 N 3.42 4.56 0.09 -1.43 1.04 -1.25 -2.32 113.70 117.81 2k3d s SER 60 Ca 0.49 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 56.26 2k3d s SER 60 Cb 0.05 -0.88 0.02 0.00 0.10 0.00 0.00 66.02 65.31 2k3d s SER 60 CO 0.02 0.06 0.31 0.72 0.98 0.00 0.00 173.24 175.33 2k3d s PHE 61 N -1.94 -0.07 -0.03 5.02 -0.12 -0.79 -3.62 117.98 116.44 2k3d s PHE 61 Ca 0.28 -0.23 0.01 0.00 -0.05 0.00 0.00 56.93 56.94 2k3d s PHE 61 Cb -0.08 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.44 2k3d s PHE 61 CO 0.18 -0.59 -0.03 0.99 -0.05 0.00 0.00 175.22 175.72 2k3d s THR 62 N -3.44 0.37 0.00 -4.49 2.01 -1.05 -2.36 115.64 106.67 2k3d s THR 62 Ca 0.01 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2k3d s THR 62 Cb 0.02 -0.40 -0.00 0.00 0.01 0.00 0.00 72.50 72.13 2k3d s THR 62 CO -0.09 0.17 -0.04 0.00 -0.69 0.00 0.00 174.62 173.97 2k3d s ALA 63 N 0.71 0.33 -0.07 7.40 0.00 0.11 -1.32 121.76 128.92 2k3d s ALA 63 Ca -0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 2k3d s ALA 63 Cb -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2k3d s ALA 63 CO -0.01 0.06 -0.04 0.20 0.00 0.00 0.00 175.76 175.98 2k3d s GLY 64 N -0.23 1.76 -0.00 0.00 0.00 -0.65 -0.10 107.32 108.09 2k3d s GLY 64 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 2k3d s GLY 64 CO -0.00 -0.64 0.01 0.28 0.00 0.00 0.00 173.10 172.74 2k3d n LYS 65 N 2.16 -1.25 0.00 2.90 5.02 -0.86 -0.36 118.16 125.76 2k3d n LYS 65 Ca -0.18 1.17 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 2k3d n LYS 65 Cb 0.53 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k3d n ASP 66 N 2.47 0.00 -0.16 4.39 8.00 -1.26 -0.39 116.55 129.59 2k3d n ASP 66 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2k3d n ASP 66 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.00 0.00 -2.25 2.53 0.31 -1.23 -4.55 118.33 113.14 2k3d n VAL 67 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2k3d n VAL 67 Cb 0.00 0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 33.58 2k3d n VAL 67 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k3d s LYS 68 N 0.00 4.37 -0.07 5.55 1.02 0.51 -4.37 119.74 126.75 2k3d s LYS 68 Ca 0.00 1.99 -0.05 0.00 0.02 0.00 0.00 55.97 57.93 2k3d s LYS 68 Cb 0.00 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.08 2k3d s LYS 68 CO 0.00 -0.33 0.10 -0.89 -0.92 0.00 0.00 175.35 173.31 2k3d n ILE 69 N 3.51 -8.62 -4.06 2.17 5.41 -1.26 -1.64 119.36 114.88 2k3d n ILE 69 Ca 0.09 1.89 -0.10 0.00 1.00 0.00 0.00 62.75 65.63 2k3d n ILE 69 Cb 0.43 -4.84 -0.11 0.00 -0.71 0.00 0.00 39.64 34.42 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 -0.41 0.53 0.04 1.39 -0.71 -1.26 -1.89 117.98 115.68 2k3d s PHE 70 Ca -0.12 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.08 2k3d s PHE 70 Cb 0.01 -0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.45 2k3d s PHE 70 CO 0.32 -0.20 -0.07 0.45 -1.34 0.00 0.00 175.22 174.38 2k3d s SER 71 N -2.08 0.75 0.05 1.98 0.15 -0.43 -5.01 113.70 109.11 2k3d s SER 71 Ca -0.05 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.05 2k3d s SER 71 Cb -0.03 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 2k3d s SER 71 CO -0.03 -0.25 -0.09 -0.55 1.20 0.00 0.00 173.24 173.51 2k3d s SER 72 N -1.70 1.07 0.82 5.45 0.15 -1.26 -2.52 113.70 115.70 2k3d s SER 72 Ca -0.09 -0.57 -0.12 0.00 0.70 0.00 0.00 55.95 55.87 2k3d s SER 72 Cb -0.08 0.02 0.09 0.00 -1.71 0.00 0.00 66.02 64.33 2k3d s SER 72 CO -0.01 -0.18 1.12 -0.94 1.20 0.00 0.00 173.24 174.43 2k3d s SER 73 N -1.65 4.28 0.17 5.45 1.04 -1.24 -4.74 113.70 117.01 2k3d s SER 73 Ca -0.08 1.14 -0.15 0.00 0.48 0.00 0.00 55.95 57.34 2k3d s SER 73 Cb -0.10 -1.81 0.05 0.00 0.10 0.00 0.00 66.02 64.27 2k3d s SER 73 CO 0.01 -2.09 1.82 -0.33 0.98 0.00 0.00 173.24 173.64 2k3d h GLU 74 N -1.17 0.60 -0.29 4.02 5.08 -1.95 0.69 114.58 121.57 2k3d h GLU 74 Ca -0.48 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 2k3d h GLU 74 Cb 1.29 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2k3d h GLU 74 CO 0.61 0.40 0.04 0.93 -1.00 0.00 0.00 179.01 179.99 2k3d h GLU 75 N 0.62 0.48 0.00 2.33 3.07 -1.92 -2.22 114.58 116.94 2k3d h GLU 75 Ca 0.18 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 2k3d h GLU 75 Cb -0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2k3d h GLU 75 CO -0.05 0.59 -0.40 1.25 -1.40 0.00 0.00 179.01 179.00 2k3d h LEU 76 N 0.30 0.00 -0.92 1.33 5.85 -1.80 -2.74 115.31 117.33 2k3d h LEU 76 Ca 0.09 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2k3d h LEU 76 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2k3d h LEU 76 CO 0.01 0.40 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.65 2k3d h ASP 77 N 0.00 0.69 0.59 1.25 3.58 0.82 -2.04 116.42 121.31 2k3d h ASP 77 Ca -0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2k3d h ASP 77 Cb 0.76 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2k3d h ASP 77 CO 0.05 0.81 0.00 0.29 -2.88 0.00 0.00 179.24 177.51 2k3d n LYS 78 N -4.19 0.19 0.00 0.28 5.02 -0.87 -2.39 118.16 116.20 2k3d n LYS 78 Ca 0.02 0.08 0.14 0.00 -2.02 0.00 0.00 58.31 56.52 2k3d n LYS 78 Cb 0.33 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.38 0.14 -2.21 1.97 2.81 -0.77 -4.83 117.12 112.85 2k3d n MET 79 Ca 0.09 -0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 2k3d n MET 79 Cb 0.22 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.88 3.21 0.00 2.03 0.08 -1.00 -4.72 117.98 114.69 2k3d s PHE 80 Ca 0.17 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2k3d s PHE 80 Cb 0.19 -3.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 2k3d s PHE 80 CO 0.55 -1.61 0.00 1.04 -0.10 0.00 0.00 175.22 175.10 2k3d n GLN 81 N 1.37 0.00 -4.10 0.44 6.02 -1.25 -5.08 117.38 114.77 2k3d n GLN 81 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.74 2k3d n GLN 81 Cb 0.43 -0.53 -0.06 0.00 1.02 0.00 0.00 30.24 31.10 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 -1.82 2.82 0.48 -1.09 8.01 -1.26 -5.08 118.70 120.76 2k3d s GLU 82 Ca 0.00 -0.91 -0.22 0.00 0.01 0.00 0.00 54.97 53.85 2k3d s GLU 82 Cb 0.00 -2.60 -0.09 0.00 -4.31 0.00 0.00 34.13 27.13 2k3d s GLU 82 CO 0.00 0.48 0.98 -2.30 0.01 0.00 0.00 175.26 174.43 2k3d n PRO 83 N -0.32 1.22 -2.61 0.39 -0.02 -1.26 -4.94 135.00 127.45 2k3d n PRO 83 Ca -0.08 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 2k3d n PRO 83 Cb 0.55 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 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 -2.21 4.71 0.03 -0.52 0.52 -1.26 -5.01 118.95 115.21 2k3d s ARG 84 Ca 0.66 1.62 0.01 0.00 -0.52 0.00 0.00 55.73 57.51 2k3d s ARG 84 Cb -0.51 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 2k3d s ARG 84 CO 0.54 0.27 -0.06 0.15 0.02 0.00 0.00 175.30 176.23 2k3d s LYS 85 N -0.84 0.44 0.98 3.54 1.02 -1.26 -5.14 119.74 118.48 2k3d s LYS 85 Ca 0.45 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 2k3d s LYS 85 Cb -0.28 -0.10 0.18 0.00 -0.52 0.00 0.00 37.83 37.11 2k3d s LYS 85 CO 0.35 0.00 1.10 0.20 -0.92 0.00 0.00 175.35 176.08 2k3d s GLY 86 N -1.59 1.64 0.17 -3.33 0.00 -1.26 -4.74 107.32 98.20 2k3d s GLY 86 Ca -0.12 0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.75 2k3d s GLY 86 CO -0.01 0.80 1.81 -1.82 0.00 0.00 0.00 173.10 173.89 2k3d h TYR 87 N -2.04 0.67 -0.14 1.90 3.20 -1.98 -1.87 116.97 116.71 2k3d h TYR 87 Ca -0.50 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.28 2k3d h TYR 87 Cb 1.29 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2k3d h TYR 87 CO 0.43 0.45 -0.37 0.38 -1.64 0.00 0.00 178.16 177.40 2k3d h ASP 88 N 0.69 0.30 -0.27 -2.11 2.03 -2.00 -2.75 116.42 112.31 2k3d h ASP 88 Ca 0.19 -0.12 -0.05 0.00 -0.73 0.00 0.00 57.03 56.32 2k3d h ASP 88 Cb -0.04 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 2k3d h ASP 88 CO -0.04 0.65 -0.03 -0.33 -1.03 0.00 0.00 179.24 178.46 2k3d h GLU 89 N 0.25 0.50 -0.35 4.15 4.39 -1.76 -2.55 114.58 119.21 2k3d h GLU 89 Ca 0.03 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 2k3d h GLU 89 Cb 0.77 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2k3d h GLU 89 CO 0.06 0.68 -0.12 -0.84 -1.16 0.00 0.00 179.01 177.64 2k3d h ILE 90 N 0.26 1.24 -0.64 3.13 3.07 -1.31 -1.67 117.51 121.59 2k3d h ILE 90 Ca 0.07 -1.08 -0.03 0.00 1.55 0.00 0.00 64.86 65.37 2k3d h ILE 90 Cb 0.48 1.10 -0.03 0.00 -0.27 0.00 0.00 36.82 38.10 2k3d h ILE 90 CO 0.02 0.36 0.27 -0.07 -1.05 0.00 0.00 178.15 177.68 2k3d h LEU 91 N 0.56 0.88 -0.37 0.16 3.38 -1.35 -2.78 115.31 115.79 2k3d h LEU 91 Ca 0.10 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 2k3d h LEU 91 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k3d h LEU 91 CO 0.03 0.80 -0.37 -0.33 0.09 0.00 0.00 178.44 178.66 2k3d h GLU 92 N 0.90 0.90 0.00 1.13 4.39 -1.21 -3.48 114.58 117.21 2k3d h GLU 92 Ca 0.22 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2k3d h GLU 92 Cb 0.18 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2k3d h GLU 92 CO -0.02 1.13 0.00 -2.39 -1.16 0.00 0.00 179.01 176.57 2k3d n HIS 93 N -4.09 -0.36 -4.08 4.33 1.44 -0.65 -4.59 115.22 107.22 2k3d n HIS 93 Ca -0.03 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.35 2k3d n HIS 93 Cb 0.54 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.49 2k3d n HIS 93 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k3d s HIS 94 N 0.00 2.84 -0.12 -1.40 -3.43 -1.26 -5.06 115.29 106.86 2k3d s HIS 94 Ca 0.00 -1.56 0.00 0.00 -0.80 0.00 0.00 55.06 52.70 2k3d s HIS 94 Cb 0.00 -1.95 0.02 0.00 -1.43 0.00 0.00 32.58 29.22 2k3d s HIS 94 CO 0.00 -0.77 -0.10 -1.58 -2.00 0.00 0.00 174.74 170.29 2k3d s HIS 95 N 1.31 1.69 -0.32 0.38 5.04 -1.26 -5.10 115.29 117.03 2k3d s HIS 95 Ca 0.04 -0.86 -0.03 0.00 -1.54 0.00 0.00 55.06 52.68 2k3d s HIS 95 Cb -0.14 -1.32 0.05 0.00 0.04 0.00 0.00 32.58 31.22 2k3d s HIS 95 CO -0.11 -0.53 0.05 -1.01 -2.34 0.00 0.00 174.74 170.80 2k3d s HIS 96 N 1.50 3.30 0.10 3.88 3.76 -1.26 -4.97 115.29 121.61 2k3d s HIS 96 Ca 0.02 -1.84 -0.16 0.00 -0.15 0.00 0.00 55.06 52.94 2k3d s HIS 96 Cb -0.13 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.22 2k3d s HIS 96 CO -0.07 -0.81 1.49 1.25 -0.85 0.00 0.00 174.74 175.75 2k3d h HIS 97 N 8.05 0.72 -0.00 1.40 2.76 -2.08 -3.58 115.15 122.43 2k3d h HIS 97 Ca -0.21 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 2k3d h HIS 97 Cb 1.06 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2k3d h HIS 97 CO 0.60 0.83 0.00 1.58 -1.30 0.00 0.00 177.93 179.64