#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 0.85 0.00 0.00 3.57 -2.06 -2.22 116.94 117.07 2k3d h PHE 13 Ca 0.00 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.28 2k3d h PHE 13 Cb 0.00 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 2k3d h PHE 13 CO 0.00 0.63 -1.16 0.74 -2.23 0.00 0.00 178.31 176.29 2k3d h PHE 14 N 0.82 0.00 -0.43 0.41 0.04 -2.06 -3.30 116.94 112.41 2k3d h PHE 14 Ca 0.21 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 2k3d h PHE 14 Cb 0.08 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 2k3d h PHE 14 CO -0.01 0.72 0.20 -0.97 -0.60 0.00 0.00 178.31 177.66 2k3d h ASN 15 N 0.00 0.58 -0.37 2.17 -0.73 -1.96 -2.10 115.58 113.16 2k3d h ASN 15 Ca -0.12 -0.14 -0.08 0.00 1.87 0.00 0.00 56.30 57.83 2k3d h ASN 15 Cb 1.66 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 40.08 2k3d h ASN 15 CO 0.07 0.56 -0.05 1.05 -0.37 0.00 0.00 177.43 178.69 2k3d h GLU 16 N 0.56 0.79 -0.57 6.67 4.11 -1.54 -2.61 114.58 121.98 2k3d h GLU 16 Ca 0.15 -0.23 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 2k3d h GLU 16 Cb 0.14 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2k3d h GLU 16 CO -0.02 0.83 0.24 1.96 0.07 0.00 0.00 179.01 182.09 2k3d h GLN 17 N 0.72 0.84 -0.70 1.06 1.08 -1.57 -2.43 115.11 114.11 2k3d h GLN 17 Ca 0.13 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2k3d h GLN 17 Cb 0.52 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 2k3d h GLN 17 CO 0.03 0.71 0.15 0.87 -0.95 0.00 0.00 178.83 179.64 2k3d h LYS 18 N 0.78 1.14 -0.77 1.46 1.57 -1.19 -2.58 116.57 116.98 2k3d h LYS 18 Ca 0.19 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2k3d h LYS 18 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2k3d h LYS 18 CO -0.02 1.01 0.30 0.93 -0.57 0.00 0.00 179.45 181.11 2k3d h GLU 19 N 1.07 1.14 -0.62 3.15 4.39 -1.24 -1.75 114.58 120.73 2k3d h GLU 19 Ca 0.22 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2k3d h GLU 19 Cb 0.40 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2k3d h GLU 19 CO 0.01 0.93 0.24 0.87 -1.16 0.00 0.00 179.01 179.90 2k3d h LYS 20 N 1.11 0.93 -0.50 2.33 1.57 -1.19 -1.70 116.57 119.12 2k3d h LYS 20 Ca 0.26 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2k3d h LYS 20 Cb 0.22 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2k3d h LYS 20 CO -0.02 0.79 0.15 0.28 -0.57 0.00 0.00 179.45 180.08 2k3d h VAL 21 N 0.87 1.23 -0.58 0.50 2.07 -1.11 -2.12 116.25 117.10 2k3d h VAL 21 Ca 0.21 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2k3d h VAL 21 Cb 0.22 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2k3d h VAL 21 CO -0.02 0.29 0.30 0.74 0.02 0.00 0.00 177.57 178.91 2k3d h THR 22 N 0.68 1.20 -0.76 2.57 2.02 -1.08 -2.26 112.91 115.27 2k3d h THR 22 Ca 0.16 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2k3d h THR 22 Cb 0.29 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 2k3d h THR 22 CO -0.00 0.22 0.37 0.25 0.37 0.00 0.00 175.52 176.73 2k3d h LEU 23 N 0.79 0.98 -0.37 2.58 5.85 -1.12 -1.64 115.31 122.37 2k3d h LEU 23 Ca 0.20 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k3d h LEU 23 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2k3d h LEU 23 CO -0.03 0.84 0.24 0.22 -0.34 0.00 0.00 178.44 179.37 2k3d h TYR 24 N 1.06 0.47 -0.67 1.25 3.20 -1.02 -2.10 116.97 119.16 2k3d h TYR 24 Ca 0.26 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 2k3d h TYR 24 Cb 0.11 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2k3d h TYR 24 CO 0.01 0.30 0.23 -0.07 -1.64 0.00 0.00 178.16 176.99 2k3d h LEU 25 N 0.50 0.96 -0.85 2.82 3.38 -1.12 0.35 115.31 121.35 2k3d h LEU 25 Ca 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2k3d h LEU 25 Cb -0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2k3d h LEU 25 CO -0.03 0.90 0.46 0.50 0.09 0.00 0.00 178.44 180.36 2k3d h LYS 26 N 0.97 1.20 0.00 1.13 3.64 -0.99 1.60 116.57 124.12 2k3d h LYS 26 Ca 0.22 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 2k3d h LYS 26 Cb 0.27 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2k3d h LYS 26 CO -0.01 0.89 -1.08 0.45 -2.27 0.00 0.00 179.45 177.43 2k3d h HIS 27 N 1.20 0.00 0.00 1.91 3.86 -1.18 -3.28 115.15 117.66 2k3d h HIS 27 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2k3d h HIS 27 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2k3d h HIS 27 CO 0.01 0.51 -0.99 0.09 0.86 0.00 0.00 177.93 178.41 2k3d n ASN 28 N -2.99 0.78 -3.33 2.45 4.13 0.12 -4.70 115.26 111.73 2k3d n ASN 28 Ca -0.05 -0.67 -0.17 0.00 1.68 0.00 0.00 54.58 55.37 2k3d n ASN 28 Cb 0.78 0.91 -0.07 0.00 -1.54 0.00 0.00 39.78 39.86 2k3d n ASN 28 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k3d s ILE 29 N -3.07 -0.32 0.51 2.41 1.01 0.54 -4.41 121.20 117.88 2k3d s ILE 29 Ca 0.07 -1.13 0.24 0.00 0.00 0.00 0.00 60.65 59.82 2k3d s ILE 29 Cb 0.16 -0.67 0.40 0.00 0.01 0.00 0.00 42.46 42.36 2k3d s ILE 29 CO 0.83 -0.61 1.97 -0.65 0.00 0.00 0.00 174.94 176.49 2k3d h PRO 30 N 6.79 0.08 0.00 2.79 0.11 -1.72 0.24 132.00 140.29 2k3d h PRO 30 Ca 0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2k3d h PRO 30 Cb 1.05 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2k3d h PRO 30 CO 0.20 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 177.79 2k3d n ASP 31 N -4.39 0.00 -4.72 -2.05 8.00 -1.26 -4.85 116.55 107.28 2k3d n ASP 31 Ca 0.11 -1.53 -0.42 0.00 0.71 0.00 0.00 54.79 53.66 2k3d n ASP 31 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 2k3d n ASP 31 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2k3d s PHE 32 N -2.00 2.94 -0.11 1.24 5.36 0.85 -4.91 117.98 121.35 2k3d s PHE 32 Ca 0.17 0.49 -0.10 0.00 -0.96 0.00 0.00 56.93 56.53 2k3d s PHE 32 Cb 0.08 -4.06 -0.05 0.00 -0.34 0.00 0.00 43.02 38.64 2k3d s PHE 32 CO 0.13 -3.94 -0.22 -1.71 -1.46 0.00 0.00 175.22 168.02 2k3d n ASN 33 N 3.75 1.45 -3.67 6.13 5.15 -1.26 -4.98 115.26 121.83 2k3d n ASN 33 Ca 0.14 0.24 -0.08 0.00 -0.60 0.00 0.00 54.58 54.28 2k3d n ASN 33 Cb 0.36 -0.55 -0.02 0.00 -0.53 0.00 0.00 39.78 39.04 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 -2.46 0.00 -0.03 -0.44 -1.32 -1.26 -4.97 115.64 105.16 2k3d s THR 34 Ca -0.20 -0.55 0.04 0.00 -1.21 0.00 0.00 61.69 59.77 2k3d s THR 34 Cb 0.05 -1.59 -0.01 0.00 -1.51 0.00 0.00 72.50 69.44 2k3d s THR 34 CO 0.28 0.00 -0.15 0.54 -2.21 0.00 0.00 174.62 173.07 2k3d s VAL 35 N -3.72 1.27 -0.16 5.08 0.11 -1.26 -1.37 120.40 120.35 2k3d s VAL 35 Ca 0.07 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 2k3d s VAL 35 Cb -0.03 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2k3d s VAL 35 CO -0.01 0.37 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.04 2k3d s THR 36 N -0.10 2.21 -0.25 5.04 2.01 -0.54 -5.02 115.64 118.99 2k3d s THR 36 Ca 0.00 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 2k3d s THR 36 Cb -0.09 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 2k3d s THR 36 CO 0.01 0.53 0.07 -0.36 -0.69 0.00 0.00 174.62 174.18 2k3d s PHE 37 N 1.04 3.08 0.00 4.92 0.08 -1.26 -2.57 117.98 123.27 2k3d s PHE 37 Ca -0.01 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.57 2k3d s PHE 37 Cb -0.14 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 2k3d s PHE 37 CO -0.06 -0.38 0.00 -2.37 -0.10 0.00 0.00 175.22 172.31 2k3d n THR 38 N 4.92 0.00 0.00 0.64 5.66 -1.25 -4.98 114.28 119.28 2k3d n THR 38 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 2k3d n THR 38 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2k3d n THR 38 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2k3d n ASN 39 N -0.89 0.00 -1.46 1.09 5.03 -1.16 -5.04 115.26 112.84 2k3d n ASN 39 Ca 0.00 0.57 0.02 0.00 0.87 0.00 0.00 54.58 56.03 2k3d n ASN 39 Cb 0.00 -0.30 -0.01 0.00 -1.02 0.00 0.00 39.78 38.45 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 -1.41 -3.23 -3.58 3.52 2.13 -0.76 -4.88 120.64 112.43 2k3d n GLU 40 Ca 0.00 2.52 -0.15 0.00 0.66 0.00 0.00 57.16 60.19 2k3d n GLU 40 Cb 0.00 -3.31 -0.06 0.00 0.27 0.00 0.00 31.44 28.34 2k3d n GLU 40 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2k3d s GLU 41 N -5.07 0.90 0.02 5.31 2.56 -0.60 -4.79 118.70 117.03 2k3d s GLU 41 Ca 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 54.97 55.43 2k3d s GLU 41 Cb 0.00 0.43 -0.06 0.00 2.00 0.00 0.00 34.13 36.50 2k3d s GLU 41 CO 0.00 -0.20 0.43 -0.06 -0.56 0.00 0.00 175.26 174.87 2k3d s PHE 42 N -0.40 3.72 0.07 5.30 0.08 -1.26 -1.26 117.98 124.23 2k3d s PHE 42 Ca -0.05 1.01 0.05 0.00 0.12 0.00 0.00 56.93 58.06 2k3d s PHE 42 Cb -0.03 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2k3d s PHE 42 CO 0.05 0.62 -0.14 -0.80 -0.10 0.00 0.00 175.22 174.85 2k3d s ASN 43 N -1.15 1.60 0.42 1.36 0.01 -0.80 -4.89 114.94 111.50 2k3d s ASN 43 Ca 0.25 -0.60 0.20 0.00 -0.71 0.00 0.00 52.86 52.01 2k3d s ASN 43 Cb -0.17 -0.05 1.16 0.00 0.41 0.00 0.00 41.25 42.60 2k3d s ASN 43 CO 0.15 -0.08 1.80 -0.65 -1.51 0.00 0.00 177.10 176.81 2k3d h PRO 44 N 4.35 0.33 0.00 -0.60 0.11 -1.99 0.69 132.00 134.90 2k3d h PRO 44 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2k3d h PRO 44 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k3d h PRO 44 CO 0.40 0.22 0.00 0.44 -0.21 0.00 0.00 178.00 178.86 2k3d n ILE 45 N -4.54 0.36 0.00 4.15 -5.35 -1.26 -4.95 119.36 107.77 2k3d n ILE 45 Ca 0.23 0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.80 2k3d n ILE 45 Cb 0.87 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 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 0.34 0.68 3.30 3.28 0.00 0.24 -5.00 105.19 108.03 2k3d n GLY 46 Ca 0.10 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 1.64 -0.03 -0.61 -4.36 -1.26 -1.89 121.20 114.69 2k3d s ILE 47 Ca 0.00 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 2k3d s ILE 47 Cb 0.00 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 42.01 2k3d s ILE 47 CO 0.00 -0.34 -0.03 -0.94 0.24 0.00 0.00 174.94 173.87 2k3d s SER 48 N -2.55 0.68 -0.17 4.36 1.04 -0.39 -0.79 113.70 115.87 2k3d s SER 48 Ca 0.13 -0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 2k3d s SER 48 Cb -0.06 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 2k3d s SER 48 CO 0.05 -0.05 0.38 -0.63 0.98 0.00 0.00 173.24 173.97 2k3d s ILE 49 N 0.77 5.23 -0.03 -1.02 1.01 0.41 -1.55 121.20 126.02 2k3d s ILE 49 Ca -0.09 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.30 2k3d s ILE 49 Cb -0.12 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2k3d s ILE 49 CO -0.00 0.31 -0.15 -0.62 0.00 0.00 0.00 174.94 174.47 2k3d s ASP 50 N 0.79 1.91 0.00 3.58 -1.08 -1.26 -0.93 116.67 119.68 2k3d s ASP 50 Ca 0.19 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 2k3d s ASP 50 Cb -0.14 -0.41 0.00 0.00 -1.46 0.00 0.00 42.92 40.91 2k3d s ASP 50 CO 0.07 0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.53 2k3d n GLY 51 N 3.00 1.27 3.20 2.66 0.00 0.63 -1.84 105.19 114.11 2k3d n GLY 51 Ca -0.17 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.19 0.24 0.32 1.61 -0.85 -1.06 0.13 117.35 116.55 2k3d s TYR 52 Ca 0.00 -0.67 0.10 0.00 -0.52 0.00 0.00 57.07 55.98 2k3d s TYR 52 Cb 0.00 -0.11 -0.06 0.00 0.38 0.00 0.00 41.96 42.17 2k3d s TYR 52 CO 0.00 -0.54 -0.12 0.96 -1.52 0.00 0.00 175.55 174.33 2k3d s ILE 53 N -3.88 2.27 -1.55 -3.49 -4.36 -1.06 -1.46 121.20 107.66 2k3d s ILE 53 Ca 0.07 -2.25 -0.04 0.00 -0.26 0.00 0.00 60.65 58.17 2k3d s ILE 53 Cb 0.05 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.22 2k3d s ILE 53 CO -0.09 -0.26 0.40 0.59 0.24 0.00 0.00 174.94 175.82 2k3d n ASN 54 N -0.74 -5.66 -2.37 4.36 3.02 -0.47 -1.92 115.26 111.48 2k3d n ASN 54 Ca -0.05 -0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.24 2k3d n ASN 54 Cb 0.63 -4.63 -0.00 0.00 -0.61 0.00 0.00 39.78 35.16 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 -2.32 -2.41 -4.23 6.41 3.02 -1.26 -4.89 115.26 109.59 2k3d n ASN 55 Ca -0.14 0.33 -0.37 0.00 -0.03 0.00 0.00 54.58 54.38 2k3d n ASN 55 Cb 0.63 -2.14 -0.13 0.00 -0.61 0.00 0.00 39.78 37.53 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 -1.98 5.15 0.41 6.41 -1.08 -0.81 -4.96 116.67 119.81 2k3d s ASP 56 Ca 0.00 -1.23 0.10 0.00 -0.52 0.00 0.00 52.55 50.90 2k3d s ASP 56 Cb 0.00 -1.80 0.91 0.00 -1.46 0.00 0.00 42.92 40.57 2k3d s ASP 56 CO 0.00 -0.31 2.01 0.11 0.52 0.00 0.00 175.17 177.50 2k3d h LYS 57 N 8.13 0.51 -0.81 4.34 1.79 -1.90 -1.14 116.57 127.48 2k3d h LYS 57 Ca -0.22 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.19 2k3d h LYS 57 Cb 1.07 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.57 2k3d h LYS 57 CO 0.58 0.34 0.39 -0.91 -1.08 0.00 0.00 179.45 178.77 2k3d h ASN 58 N 0.52 1.06 -1.26 0.86 2.35 -1.95 -3.34 115.58 113.82 2k3d h ASN 58 Ca 0.23 -0.12 -0.64 0.00 -0.55 0.00 0.00 56.30 55.21 2k3d h ASN 58 Cb 0.23 -0.27 -0.11 0.00 0.05 0.00 0.00 38.32 38.22 2k3d h ASN 58 CO -0.06 0.89 1.60 -0.76 -1.65 0.00 0.00 177.43 177.45 2k3d s LEU 59 N -9.77 3.86 0.69 1.61 1.43 -0.43 -4.91 118.68 111.16 2k3d s LEU 59 Ca -0.12 -1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 50.99 2k3d s LEU 59 Cb 0.16 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.85 2k3d s LEU 59 CO 0.83 -1.32 1.08 -0.94 0.23 0.00 0.00 176.35 176.22 2k3d s SER 60 N 4.50 5.57 -0.14 2.29 1.04 -1.26 -2.56 113.70 123.14 2k3d s SER 60 Ca 0.46 1.15 -0.08 0.00 0.48 0.00 0.00 55.95 57.96 2k3d s SER 60 Cb 0.00 -2.00 0.05 0.00 0.10 0.00 0.00 66.02 64.18 2k3d s SER 60 CO -0.05 -1.26 0.35 0.12 0.98 0.00 0.00 173.24 173.38 2k3d s PHE 61 N -3.32 -0.49 -0.02 5.02 2.19 0.35 -4.14 117.98 117.57 2k3d s PHE 61 Ca 0.57 1.08 0.01 0.00 0.33 0.00 0.00 56.93 58.92 2k3d s PHE 61 Cb -0.11 0.18 0.02 0.00 -1.31 0.00 0.00 43.02 41.80 2k3d s PHE 61 CO 0.52 -0.29 -0.01 0.99 1.83 0.00 0.00 175.22 178.26 2k3d s THR 62 N 1.23 0.22 0.01 0.12 2.01 0.25 -0.27 115.64 119.22 2k3d s THR 62 Ca -0.09 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2k3d s THR 62 Cb -0.08 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 2k3d s THR 62 CO -0.10 0.13 -0.02 0.00 -0.69 0.00 0.00 174.62 173.95 2k3d s ALA 63 N 0.72 0.10 -0.20 7.40 0.00 -0.11 -1.94 121.76 127.73 2k3d s ALA 63 Ca -0.07 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 2k3d s ALA 63 Cb -0.11 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2k3d s ALA 63 CO -0.01 -0.02 0.17 0.20 0.00 0.00 0.00 175.76 176.09 2k3d s GLY 64 N -0.40 2.06 0.00 0.00 0.00 -0.97 -0.45 107.32 107.56 2k3d s GLY 64 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2k3d s GLY 64 CO -0.00 0.24 0.00 1.17 0.00 0.00 0.00 173.10 174.51 2k3d n LYS 65 N 3.67 0.00 -2.12 2.90 3.00 0.02 -0.82 118.16 124.82 2k3d n LYS 65 Ca -0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.74 2k3d n LYS 65 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 2k3d n LYS 65 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k3d n ASP 66 N 1.35 4.47 -2.33 3.14 -0.08 -1.26 -4.51 116.55 117.32 2k3d n ASP 66 Ca 0.00 -2.94 -0.01 0.00 -1.51 0.00 0.00 54.79 50.33 2k3d n ASP 66 Cb 0.00 -1.62 -0.00 0.00 2.34 0.00 0.00 41.12 41.84 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 4.76 -0.04 -0.24 5.18 0.31 -0.66 -4.56 118.33 123.09 2k3d n VAL 67 Ca 0.47 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.73 2k3d n VAL 67 Cb 0.40 -0.13 0.04 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.00 0.98 -5.17 5.55 1.57 -1.21 -3.42 116.57 114.87 2k3d h LYS 68 Ca -0.02 -0.17 -0.66 0.00 -1.87 0.00 0.00 60.65 57.92 2k3d h LYS 68 Cb 0.91 -0.16 -0.34 0.00 0.08 0.00 0.00 32.23 32.72 2k3d h LYS 68 CO 0.03 0.81 -0.87 0.42 -0.57 0.00 0.00 179.45 179.27 2k3d s ILE 69 N -5.58 1.99 -0.21 1.86 1.01 -1.25 -4.95 121.20 114.06 2k3d s ILE 69 Ca -0.13 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.40 2k3d s ILE 69 Cb 0.14 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2k3d s ILE 69 CO 0.81 0.54 0.48 0.12 0.00 0.00 0.00 174.94 176.88 2k3d s PHE 70 N 0.73 3.35 -0.06 3.97 5.36 -1.26 -2.29 117.98 127.78 2k3d s PHE 70 Ca -0.10 0.69 -0.03 0.00 -0.96 0.00 0.00 56.93 56.54 2k3d s PHE 70 Cb -0.16 -2.64 0.04 0.00 -0.34 0.00 0.00 43.02 39.92 2k3d s PHE 70 CO 0.00 -0.11 0.10 -1.12 -1.46 0.00 0.00 175.22 172.63 2k3d s SER 71 N 1.22 1.02 0.19 6.13 0.01 -0.82 -5.04 113.70 116.40 2k3d s SER 71 Ca 0.22 0.16 -0.15 0.00 1.31 0.00 0.00 55.95 57.49 2k3d s SER 71 Cb -0.15 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.11 2k3d s SER 71 CO 0.09 -0.25 0.46 -0.94 0.41 0.00 0.00 173.24 173.01 2k3d s SER 72 N 2.22 -0.17 0.79 2.44 1.04 -1.26 -0.58 113.70 118.17 2k3d s SER 72 Ca 0.04 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.75 2k3d s SER 72 Cb -0.12 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.60 2k3d s SER 72 CO -0.04 -1.02 1.09 -0.94 0.98 0.00 0.00 173.24 173.31 2k3d s SER 73 N -2.91 4.60 0.24 7.02 1.04 -1.26 -4.81 113.70 117.63 2k3d s SER 73 Ca 0.12 1.33 -0.03 0.00 0.48 0.00 0.00 55.95 57.85 2k3d s SER 73 Cb 0.00 -2.07 0.27 0.00 0.10 0.00 0.00 66.02 64.32 2k3d s SER 73 CO -0.01 -1.90 1.69 -0.33 0.98 0.00 0.00 173.24 173.67 2k3d h GLU 74 N -1.04 0.75 -0.43 4.02 5.08 -1.97 0.34 114.58 121.33 2k3d h GLU 74 Ca -0.47 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 57.62 2k3d h GLU 74 Cb 1.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2k3d h GLU 74 CO 0.59 0.85 0.19 0.93 -1.00 0.00 0.00 179.01 180.57 2k3d h GLU 75 N 0.67 0.60 0.00 2.33 5.08 -1.92 -1.95 114.58 119.38 2k3d h GLU 75 Ca 0.11 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2k3d h GLU 75 Cb 0.61 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2k3d h GLU 75 CO 0.04 0.48 -1.28 -0.11 -1.00 0.00 0.00 179.01 177.14 2k3d n LEU 76 N -4.39 0.69 -0.03 1.33 7.94 -1.01 -4.04 117.00 117.49 2k3d n LEU 76 Ca 0.03 0.27 -0.03 0.00 -1.11 0.00 0.00 56.01 55.18 2k3d n LEU 76 Cb 0.13 -0.01 0.21 0.00 0.53 0.00 0.00 43.42 44.28 2k3d n LEU 76 CO 0.37 -0.08 0.83 -0.78 -1.11 0.00 0.00 177.39 176.62 2k3d h ASP 77 N 0.00 0.58 0.92 1.96 3.58 0.42 -2.15 116.42 121.74 2k3d h ASP 77 Ca -0.04 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.25 2k3d h ASP 77 Cb 1.14 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2k3d h ASP 77 CO 0.01 0.73 0.00 2.29 -2.88 0.00 0.00 179.24 179.38 2k3d n LYS 78 N -4.19 0.11 0.00 0.28 2.85 -0.96 -2.35 118.16 113.90 2k3d n LYS 78 Ca 0.01 0.22 0.13 0.00 -1.05 0.00 0.00 58.31 57.61 2k3d n LYS 78 Cb 0.33 -1.66 0.67 0.00 -0.65 0.00 0.00 35.03 33.71 2k3d n LYS 78 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2k3d n MET 79 N -1.86 0.41 -3.12 -1.58 2.81 -0.81 -4.67 117.12 108.31 2k3d n MET 79 Ca 0.05 0.04 -0.40 0.00 -1.81 0.00 0.00 57.70 55.57 2k3d n MET 79 Cb 0.29 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.24 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 -2.52 3.30 -0.82 2.03 0.40 -0.99 -4.76 117.98 114.62 2k3d s PHE 80 Ca 0.26 0.83 0.22 0.00 -0.60 0.00 0.00 56.93 57.64 2k3d s PHE 80 Cb 0.17 -2.83 -0.09 0.00 0.51 0.00 0.00 43.02 40.79 2k3d s PHE 80 CO 0.39 -0.30 0.95 1.04 0.70 0.00 0.00 175.22 178.00 2k3d n GLN 81 N 5.58 0.13 -4.12 0.44 3.00 -1.26 -4.93 117.38 116.22 2k3d n GLN 81 Ca -0.01 -0.02 -0.16 0.00 -0.01 0.00 0.00 57.00 56.80 2k3d n GLN 81 Cb 0.49 -1.52 -0.12 0.00 0.00 0.00 0.00 30.24 29.09 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2k3d s GLU 82 N -3.10 0.69 0.56 -1.09 0.41 -1.26 -5.13 118.70 109.78 2k3d s GLU 82 Ca 0.06 -0.87 -0.18 0.00 -0.41 0.00 0.00 54.97 53.57 2k3d s GLU 82 Cb 0.16 -0.59 -0.09 0.00 -1.78 0.00 0.00 34.13 31.83 2k3d s GLU 82 CO 0.84 0.12 0.58 -2.30 -0.49 0.00 0.00 175.26 174.01 2k3d n PRO 83 N 1.37 0.57 -1.98 0.39 -0.02 -1.26 -4.87 135.00 129.19 2k3d n PRO 83 Ca -0.22 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 2k3d n PRO 83 Cb 0.54 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 2k3d n PRO 83 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2k3d s ARG 84 N -2.12 4.25 0.03 -0.52 1.70 -1.26 -5.02 118.95 116.01 2k3d s ARG 84 Ca 0.69 2.35 0.05 0.00 -0.47 0.00 0.00 55.73 58.35 2k3d s ARG 84 Cb -0.45 -3.07 -0.02 0.00 -0.57 0.00 0.00 34.95 30.83 2k3d s ARG 84 CO 0.54 -0.41 -0.15 0.15 -1.08 0.00 0.00 175.30 174.35 2k3d s LYS 85 N -0.93 1.09 0.79 3.89 -0.14 -1.26 -5.14 119.74 118.04 2k3d s LYS 85 Ca 0.57 -0.72 -0.11 0.00 -1.36 0.00 0.00 55.97 54.35 2k3d s LYS 85 Cb -0.43 -1.11 0.07 0.00 -1.68 0.00 0.00 37.83 34.68 2k3d s LYS 85 CO 0.49 0.28 1.09 0.20 -0.76 0.00 0.00 175.35 176.65 2k3d s GLY 86 N -0.91 1.67 0.16 -3.33 0.00 -1.26 -4.85 107.32 98.80 2k3d s GLY 86 Ca 0.04 0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.88 2k3d s GLY 86 CO 0.01 0.63 1.82 -1.82 0.00 0.00 0.00 173.10 173.73 2k3d h TYR 87 N -1.20 0.59 -0.50 1.90 3.20 -1.82 -2.24 116.97 116.91 2k3d h TYR 87 Ca -0.44 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.38 2k3d h TYR 87 Cb 1.24 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2k3d h TYR 87 CO 0.57 0.38 0.04 -0.44 -1.64 0.00 0.00 178.16 177.08 2k3d h ASP 88 N 0.63 0.76 -0.14 -2.11 3.32 -1.92 -1.11 116.42 115.84 2k3d h ASP 88 Ca 0.17 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k3d h ASP 88 Cb -0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2k3d h ASP 88 CO -0.04 0.80 0.07 -0.08 -1.72 0.00 0.00 179.24 178.27 2k3d h GLU 89 N 0.76 0.20 -0.10 3.56 4.57 -1.80 -1.24 114.58 120.53 2k3d h GLU 89 Ca 0.15 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.19 2k3d h GLU 89 Cb 0.40 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2k3d h GLU 89 CO 0.01 0.24 -0.45 -0.84 -1.18 0.00 0.00 179.01 176.80 2k3d h ILE 90 N 0.11 1.33 -0.43 2.32 3.07 -1.29 -2.06 117.51 120.55 2k3d h ILE 90 Ca 0.05 -1.62 -0.04 0.00 1.55 0.00 0.00 64.86 64.80 2k3d h ILE 90 Cb 0.11 1.75 -0.02 0.00 -0.27 0.00 0.00 36.82 38.39 2k3d h ILE 90 CO -0.01 0.48 0.12 0.25 -1.05 0.00 0.00 178.15 177.95 2k3d h LEU 91 N 0.20 0.63 -0.58 0.16 5.85 -0.88 -2.88 115.31 117.80 2k3d h LEU 91 Ca 0.01 -0.22 -0.15 0.00 0.84 0.00 0.00 57.88 58.37 2k3d h LEU 91 Cb 0.88 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2k3d h LEU 91 CO 0.07 0.68 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.04 2k3d h GLU 92 N 0.55 0.57 0.00 1.25 4.39 -1.12 -3.46 114.58 116.76 2k3d h GLU 92 Ca 0.14 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2k3d h GLU 92 Cb 0.28 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2k3d h GLU 92 CO -0.00 0.93 0.00 1.58 -1.16 0.00 0.00 179.01 180.35 2k3d n HIS 93 N -3.99 0.00 -4.07 4.33 -0.00 -0.78 -4.48 115.22 106.23 2k3d n HIS 93 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.58 2k3d n HIS 93 Cb 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.45 2k3d n HIS 93 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k3d s HIS 94 N 0.00 0.63 0.16 1.57 3.76 -1.26 -5.00 115.29 115.15 2k3d s HIS 94 Ca 0.00 -0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 54.20 2k3d s HIS 94 Cb 0.00 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2k3d s HIS 94 CO 0.00 -0.13 0.33 -3.38 -0.85 0.00 0.00 174.74 170.72 2k3d s HIS 95 N -1.88 0.22 -0.66 1.40 -0.00 -1.26 -4.99 115.29 108.12 2k3d s HIS 95 Ca -0.07 -0.59 -0.12 0.00 -0.00 0.00 0.00 55.06 54.29 2k3d s HIS 95 Cb -0.07 0.06 0.02 0.00 -0.00 0.00 0.00 32.58 32.59 2k3d s HIS 95 CO -0.01 -0.74 0.64 1.58 -0.00 0.00 0.00 174.74 176.21 2k3d n HIS 96 N -0.23 -2.61 0.48 0.38 -0.00 -1.26 -4.85 115.22 107.14 2k3d n HIS 96 Ca -0.09 1.05 0.13 0.00 -0.00 0.00 0.00 57.72 58.81 2k3d n HIS 96 Cb 0.63 -3.02 0.32 0.00 -0.00 0.00 0.00 29.99 27.92 2k3d n HIS 96 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2k3d h HIS 97 N 0.76 0.00 0.00 1.57 2.07 -2.06 -3.57 115.15 113.92 2k3d h HIS 97 Ca -0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.13 2k3d h HIS 97 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 2k3d h HIS 97 CO 0.15 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.73