#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 0.51 -0.56 0.00 3.57 -2.05 -1.11 116.94 117.30 2k3d h PHE 13 Ca 0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2k3d h PHE 13 Cb 0.00 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2k3d h PHE 13 CO 0.00 0.38 0.00 0.74 -2.23 0.00 0.00 178.31 177.20 2k3d h PHE 14 N 0.49 1.04 -0.77 0.41 0.04 -2.01 -2.36 116.94 113.77 2k3d h PHE 14 Ca 0.14 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2k3d h PHE 14 Cb 0.03 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 2k3d h PHE 14 CO -0.03 0.93 0.42 -0.97 -0.60 0.00 0.00 178.31 178.06 2k3d h ASN 15 N 0.89 0.97 -0.43 2.17 -0.73 -1.87 0.25 115.58 116.82 2k3d h ASN 15 Ca 0.16 -0.10 -0.04 0.00 1.87 0.00 0.00 56.30 58.19 2k3d h ASN 15 Cb 0.52 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 2k3d h ASN 15 CO 0.03 0.79 0.11 -0.33 -0.37 0.00 0.00 177.43 177.66 2k3d h GLU 16 N 1.07 0.68 -0.62 6.67 4.39 -0.98 -1.03 114.58 124.77 2k3d h GLU 16 Ca 0.27 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 2k3d h GLU 16 Cb 0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2k3d h GLU 16 CO -0.04 0.69 0.08 1.96 -1.16 0.00 0.00 179.01 180.54 2k3d h GLN 17 N 0.56 1.02 -0.74 2.33 1.08 -0.98 -2.38 115.11 116.00 2k3d h GLN 17 Ca 0.13 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 57.01 2k3d h GLN 17 Cb 0.31 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 2k3d h GLN 17 CO 0.00 0.95 0.25 -0.22 -0.95 0.00 0.00 178.83 178.87 2k3d h LYS 18 N 0.96 1.14 -0.55 1.46 3.64 -0.18 -2.38 116.57 120.66 2k3d h LYS 18 Ca 0.19 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2k3d h LYS 18 Cb 0.45 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2k3d h LYS 18 CO 0.01 0.96 0.01 1.49 -2.27 0.00 0.00 179.45 179.65 2k3d h GLU 19 N 1.09 0.93 -0.69 1.90 4.81 -0.92 -2.24 114.58 119.46 2k3d h GLU 19 Ca 0.24 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2k3d h GLU 19 Cb 0.28 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2k3d h GLU 19 CO -0.01 0.91 0.27 0.87 -0.73 0.00 0.00 179.01 180.32 2k3d h LYS 20 N 0.86 1.04 -0.47 1.92 1.57 -1.08 -0.95 116.57 119.45 2k3d h LYS 20 Ca 0.16 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2k3d h LYS 20 Cb 0.50 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2k3d h LYS 20 CO 0.02 0.86 0.14 0.28 -0.57 0.00 0.00 179.45 180.18 2k3d h VAL 21 N 0.98 1.23 -0.52 0.50 2.07 -1.18 -0.65 116.25 118.67 2k3d h VAL 21 Ca 0.23 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2k3d h VAL 21 Cb 0.22 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2k3d h VAL 21 CO -0.02 0.28 0.29 0.74 0.02 0.00 0.00 177.57 178.89 2k3d h THR 22 N 0.63 1.17 -0.63 2.57 2.02 -1.12 -0.56 112.91 117.00 2k3d h THR 22 Ca 0.15 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2k3d h THR 22 Cb 0.29 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2k3d h THR 22 CO -0.00 0.18 0.30 0.25 0.37 0.00 0.00 175.52 176.62 2k3d h LEU 23 N 0.70 0.84 -0.26 2.58 5.85 -0.91 0.59 115.31 124.70 2k3d h LEU 23 Ca 0.18 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2k3d h LEU 23 Cb 0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2k3d h LEU 23 CO -0.03 0.74 0.15 0.22 -0.34 0.00 0.00 178.44 179.18 2k3d h TYR 24 N 0.87 0.34 -0.63 1.25 3.20 -0.65 -0.66 116.97 120.69 2k3d h TYR 24 Ca 0.22 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2k3d h TYR 24 Cb 0.13 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2k3d h TYR 24 CO 0.00 0.26 0.23 -0.07 -1.64 0.00 0.00 178.16 176.95 2k3d h LEU 25 N 0.32 0.89 -0.69 2.82 3.38 -0.80 -1.01 115.31 120.21 2k3d h LEU 25 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2k3d h LEU 25 Cb 0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2k3d h LEU 25 CO -0.02 0.83 0.36 0.50 0.09 0.00 0.00 178.44 180.21 2k3d h LYS 26 N 0.89 0.98 -0.39 1.13 3.64 -0.54 1.32 116.57 123.59 2k3d h LYS 26 Ca 0.21 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 2k3d h LYS 26 Cb 0.24 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2k3d h LYS 26 CO -0.01 0.74 -0.34 0.45 -2.27 0.00 0.00 179.45 178.03 2k3d h HIS 27 N 0.95 1.05 0.00 1.91 3.86 -0.86 -2.70 115.15 119.37 2k3d h HIS 27 Ca 0.24 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2k3d h HIS 27 Cb 0.07 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2k3d h HIS 27 CO -0.00 1.10 -0.41 0.09 0.86 0.00 0.00 177.93 179.57 2k3d n ASN 28 N -4.07 0.58 -3.47 2.45 3.02 -0.41 -4.43 115.26 108.93 2k3d n ASN 28 Ca -0.01 0.16 -0.27 0.00 -0.03 0.00 0.00 54.58 54.42 2k3d n ASN 28 Cb 0.51 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.51 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 -3.09 0.65 0.55 2.41 1.01 0.45 -2.33 121.20 120.85 2k3d s ILE 29 Ca 0.09 -2.75 0.25 0.00 0.00 0.00 0.00 60.65 58.25 2k3d s ILE 29 Cb 0.15 -1.46 0.36 0.00 0.01 0.00 0.00 42.46 41.52 2k3d s ILE 29 CO 0.67 -1.17 2.06 -0.65 0.00 0.00 0.00 174.94 175.84 2k3d h PRO 30 N 5.78 0.00 -0.35 2.79 0.11 -1.70 0.34 132.00 138.97 2k3d h PRO 30 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2k3d h PRO 30 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2k3d h PRO 30 CO 0.40 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.94 2k3d n ASP 31 N -4.17 1.05 -4.66 -2.05 8.00 -1.26 -4.91 116.55 108.55 2k3d n ASP 31 Ca 0.05 -2.05 -0.45 0.00 0.71 0.00 0.00 54.79 53.05 2k3d n ASP 31 Cb 0.42 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.04 2.08 -0.01 1.24 7.35 0.12 -4.92 117.46 123.28 2k3d n PHE 32 Ca 0.05 0.45 -0.03 0.00 -0.76 0.00 0.00 57.45 57.16 2k3d n PHE 32 Cb 0.20 -2.45 -0.01 0.00 0.35 0.00 0.00 39.48 37.57 2k3d n PHE 32 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k3d n ASN 33 N 2.23 1.04 -3.74 -2.13 2.85 -1.26 -5.08 115.26 109.16 2k3d n ASN 33 Ca 0.12 0.16 -0.10 0.00 -0.11 0.00 0.00 54.58 54.65 2k3d n ASN 33 Cb 0.30 -0.44 -0.06 0.00 1.24 0.00 0.00 39.78 40.82 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 -1.98 0.09 -0.06 -0.44 -1.32 -1.26 -4.98 115.64 105.70 2k3d s THR 34 Ca -0.10 -0.78 0.04 0.00 -1.21 0.00 0.00 61.69 59.64 2k3d s THR 34 Cb 0.01 -1.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2k3d s THR 34 CO 0.14 -0.43 -0.16 0.54 -2.21 0.00 0.00 174.62 172.50 2k3d s VAL 35 N -3.32 1.41 -0.17 5.08 0.11 -1.26 -2.11 120.40 120.14 2k3d s VAL 35 Ca 0.00 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2k3d s VAL 35 Cb 0.02 -1.23 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 2k3d s VAL 35 CO -0.08 0.41 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.02 2k3d s THR 36 N 0.25 1.95 -0.01 5.04 2.01 -0.14 -4.99 115.64 119.75 2k3d s THR 36 Ca -0.09 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 2k3d s THR 36 Cb -0.13 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 2k3d s THR 36 CO 0.03 0.52 0.37 -0.36 -0.69 0.00 0.00 174.62 174.50 2k3d s PHE 37 N 1.31 3.70 -0.04 4.92 0.08 -1.26 -1.56 117.98 125.13 2k3d s PHE 37 Ca 0.04 0.91 0.03 0.00 0.12 0.00 0.00 56.93 58.03 2k3d s PHE 37 Cb -0.13 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 2k3d s PHE 37 CO -0.12 0.64 0.00 0.25 -0.10 0.00 0.00 175.22 175.89 2k3d n THR 38 N 1.73 0.25 -3.96 0.64 -2.24 -0.16 -4.97 114.28 105.58 2k3d n THR 38 Ca -0.14 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2k3d n THR 38 Cb 0.53 -0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 67.76 2k3d n THR 38 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2k3d s ASN 39 N -3.66 0.21 -0.38 3.42 3.84 -1.06 -5.00 114.94 112.30 2k3d s ASN 39 Ca -0.03 -0.03 0.12 0.00 0.21 0.00 0.00 52.86 53.13 2k3d s ASN 39 Cb 0.01 -0.03 0.36 0.00 -0.55 0.00 0.00 41.25 41.04 2k3d s ASN 39 CO 0.14 0.01 0.78 -0.62 -2.79 0.00 0.00 177.10 174.62 2k3d n GLU 40 N 3.11 1.20 -1.80 0.43 1.02 -1.23 -1.05 120.64 122.33 2k3d n GLU 40 Ca -0.13 -3.50 0.00 0.00 -0.02 0.00 0.00 57.16 53.51 2k3d n GLU 40 Cb 0.59 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2k3d n GLU 40 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2k3d n GLU 41 N 0.19 0.00 -2.49 3.49 0.28 -0.04 -4.65 120.64 117.42 2k3d n GLU 41 Ca 0.24 -0.02 -0.02 0.00 -0.16 0.00 0.00 57.16 57.21 2k3d n GLU 41 Cb 0.66 0.02 -0.01 0.00 1.43 0.00 0.00 31.44 33.54 2k3d n GLU 41 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2k3d n PHE 42 N -0.01 -3.52 -3.37 -1.84 7.35 -1.26 -2.31 117.46 112.50 2k3d n PHE 42 Ca 0.00 1.72 0.02 0.00 -0.76 0.00 0.00 57.45 58.43 2k3d n PHE 42 Cb 0.01 -3.61 -0.04 0.00 0.35 0.00 0.00 39.48 36.19 2k3d n PHE 42 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2k3d s ASN 43 N -1.13 -0.50 0.29 -2.13 3.84 -1.23 -3.53 114.94 110.55 2k3d s ASN 43 Ca -0.08 0.68 0.04 0.00 0.21 0.00 0.00 52.86 53.72 2k3d s ASN 43 Cb 0.01 1.57 0.76 0.00 -0.55 0.00 0.00 41.25 43.03 2k3d s ASN 43 CO 0.67 -0.09 1.68 -0.65 -2.79 0.00 0.00 177.10 175.91 2k3d h PRO 44 N 7.43 0.32 -0.26 0.43 0.11 -1.98 0.84 132.00 138.90 2k3d h PRO 44 Ca -0.15 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.78 2k3d h PRO 44 Cb 1.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2k3d h PRO 44 CO 0.08 0.21 -0.48 0.97 -0.21 0.00 0.00 178.00 178.57 2k3d h ILE 45 N 0.33 1.30 0.00 4.15 6.09 -1.98 -3.48 117.51 123.92 2k3d h ILE 45 Ca 0.57 -1.68 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 2k3d h ILE 45 Cb 1.13 1.61 0.00 0.00 0.47 0.00 0.00 36.82 40.03 2k3d h ILE 45 CO -0.57 0.54 0.00 0.61 -3.07 0.00 0.00 178.15 175.65 2k3d n GLY 46 N 0.18 -2.35 3.10 8.18 0.00 0.29 -5.08 105.19 109.51 2k3d n GLY 46 Ca -0.03 0.82 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 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 0.65 -0.10 -0.61 -4.36 -1.26 -3.58 121.20 111.94 2k3d s ILE 47 Ca 0.00 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.14 2k3d s ILE 47 Cb 0.00 -0.87 -0.01 0.00 1.25 0.00 0.00 42.46 42.83 2k3d s ILE 47 CO 0.00 -0.45 -0.18 -0.55 0.24 0.00 0.00 174.94 174.00 2k3d s SER 48 N -1.87 3.65 -0.29 4.36 0.15 -0.98 0.10 113.70 118.83 2k3d s SER 48 Ca -0.05 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.13 2k3d s SER 48 Cb -0.07 -1.37 -0.01 0.00 -1.71 0.00 0.00 66.02 62.86 2k3d s SER 48 CO -0.00 0.19 0.09 -0.63 1.20 0.00 0.00 173.24 174.10 2k3d s ILE 49 N 0.16 4.20 -0.03 6.45 1.01 0.72 -0.86 121.20 132.86 2k3d s ILE 49 Ca -0.10 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.14 2k3d s ILE 49 Cb -0.16 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 2k3d s ILE 49 CO 0.06 0.15 -0.25 -1.81 0.00 0.00 0.00 174.94 173.09 2k3d s ASP 50 N 1.56 3.10 0.00 3.58 1.01 -0.21 -1.31 116.67 124.39 2k3d s ASP 50 Ca 0.04 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.84 2k3d s ASP 50 Cb -0.17 -0.43 0.00 0.00 1.01 0.00 0.00 42.92 43.33 2k3d s ASP 50 CO 0.04 0.31 0.00 0.61 0.21 0.00 0.00 175.17 176.34 2k3d n GLY 51 N 2.51 0.75 3.30 0.21 0.00 -0.97 -0.99 105.19 110.00 2k3d n GLY 51 Ca -0.16 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.11 0.58 0.31 1.61 -0.85 -0.60 -0.66 117.35 114.62 2k3d s TYR 52 Ca 0.00 -0.93 0.10 0.00 -0.52 0.00 0.00 57.07 55.72 2k3d s TYR 52 Cb 0.00 -0.18 -0.06 0.00 0.38 0.00 0.00 41.96 42.10 2k3d s TYR 52 CO 0.00 -0.69 -0.13 0.96 -1.52 0.00 0.00 175.55 174.17 2k3d s ILE 53 N -4.01 2.25 -1.48 -3.49 -4.36 -0.95 -0.97 121.20 108.19 2k3d s ILE 53 Ca 0.21 -2.28 -0.03 0.00 -0.26 0.00 0.00 60.65 58.30 2k3d s ILE 53 Cb 0.04 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.30 2k3d s ILE 53 CO 0.02 -0.30 0.30 0.59 0.24 0.00 0.00 174.94 175.79 2k3d n ASN 54 N -0.69 -5.26 -2.65 4.36 3.02 -0.90 -1.52 115.26 111.62 2k3d n ASN 54 Ca -0.05 -0.13 -0.08 0.00 -0.03 0.00 0.00 54.58 54.29 2k3d n ASN 54 Cb 0.62 -4.33 -0.01 0.00 -0.61 0.00 0.00 39.78 35.45 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 -2.20 -2.23 -4.30 6.41 5.03 -1.26 -4.88 115.26 111.82 2k3d n ASN 55 Ca -0.14 0.24 -0.37 0.00 0.87 0.00 0.00 54.58 55.17 2k3d n ASN 55 Cb 0.63 -1.98 -0.13 0.00 -1.02 0.00 0.00 39.78 37.29 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 -2.13 5.20 0.43 6.41 1.01 -0.58 -4.96 116.67 122.06 2k3d s ASP 56 Ca 0.07 -0.93 0.11 0.00 0.71 0.00 0.00 52.55 52.51 2k3d s ASP 56 Cb -0.04 -1.87 0.98 0.00 1.01 0.00 0.00 42.92 43.00 2k3d s ASP 56 CO 0.09 -0.26 2.04 0.11 0.21 0.00 0.00 175.17 177.36 2k3d h LYS 57 N 8.22 0.41 -0.69 8.23 1.57 -1.89 -1.36 116.57 131.06 2k3d h LYS 57 Ca -0.27 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2k3d h LYS 57 Cb 1.10 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 2k3d h LYS 57 CO 0.60 0.27 0.28 -0.91 -0.57 0.00 0.00 179.45 179.12 2k3d h ASN 58 N 0.43 0.93 -1.36 0.86 2.35 -1.94 -3.31 115.58 113.53 2k3d h ASN 58 Ca 0.18 -0.13 -0.70 0.00 -0.55 0.00 0.00 56.30 55.10 2k3d h ASN 58 Cb 0.18 -0.24 -0.12 0.00 0.05 0.00 0.00 38.32 38.19 2k3d h ASN 58 CO -0.04 0.83 1.89 0.18 -1.65 0.00 0.00 177.43 178.63 2k3d n LEU 59 N -4.30 5.07 -4.85 1.61 4.77 -0.51 -4.75 117.00 114.03 2k3d n LEU 59 Ca 0.06 -4.13 -0.23 0.00 -0.03 0.00 0.00 56.01 51.68 2k3d n LEU 59 Cb 0.17 -1.70 -0.04 0.00 -2.33 0.00 0.00 43.42 39.52 2k3d n LEU 59 CO 0.40 0.38 -0.16 -0.55 -1.33 0.00 0.00 177.39 176.13 2k3d s SER 60 N 3.67 5.71 -0.02 -1.43 0.15 -1.25 -2.24 113.70 118.28 2k3d s SER 60 Ca 0.50 -0.13 -0.06 0.00 0.70 0.00 0.00 55.95 56.95 2k3d s SER 60 Cb 0.01 -1.52 0.01 0.00 -1.71 0.00 0.00 66.02 62.81 2k3d s SER 60 CO 0.05 -0.00 0.15 0.72 1.20 0.00 0.00 173.24 175.35 2k3d s PHE 61 N -1.97 -0.04 -0.05 3.44 -0.71 0.17 -4.28 117.98 114.53 2k3d s PHE 61 Ca 0.33 0.09 0.02 0.00 -1.04 0.00 0.00 56.93 56.33 2k3d s PHE 61 Cb -0.09 -0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.73 2k3d s PHE 61 CO 0.25 -0.20 -0.10 0.99 -1.34 0.00 0.00 175.22 174.82 2k3d s THR 62 N -0.78 0.98 -0.02 -4.49 2.01 -0.86 -2.30 115.64 110.18 2k3d s THR 62 Ca -0.09 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2k3d s THR 62 Cb -0.05 -0.90 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 2k3d s THR 62 CO 0.01 0.31 -0.10 0.00 -0.69 0.00 0.00 174.62 174.16 2k3d s ALA 63 N 0.59 0.87 -0.59 7.40 0.00 -0.43 -0.47 121.76 129.13 2k3d s ALA 63 Ca -0.11 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 2k3d s ALA 63 Cb -0.14 -0.27 0.12 0.00 0.00 0.00 0.00 23.12 22.83 2k3d s ALA 63 CO 0.02 0.18 0.65 0.20 0.00 0.00 0.00 175.76 176.81 2k3d s GLY 64 N -0.05 1.91 0.00 0.00 0.00 -1.03 -0.20 107.32 107.95 2k3d s GLY 64 Ca 0.01 -2.38 0.00 0.00 0.00 0.00 0.00 44.72 42.35 2k3d s GLY 64 CO -0.00 1.45 0.00 1.17 0.00 0.00 0.00 173.10 175.72 2k3d n LYS 65 N 5.91 0.00 -2.38 2.90 4.81 0.29 -4.43 118.16 125.25 2k3d n LYS 65 Ca -0.10 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.92 2k3d n LYS 65 Cb 0.42 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.44 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k3d s ASP 66 N -4.00 6.99 0.00 3.14 1.01 -1.26 -4.85 116.67 117.70 2k3d s ASP 66 Ca 0.00 1.92 0.01 0.00 0.71 0.00 0.00 52.55 55.19 2k3d s ASP 66 Cb 0.00 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.45 2k3d s ASP 66 CO 0.00 -0.62 0.62 0.52 0.21 0.00 0.00 175.17 175.90 2k3d n VAL 67 N 4.61 0.19 -0.26 -1.27 0.31 -1.26 -2.28 118.33 118.36 2k3d n VAL 67 Ca 0.12 0.05 -0.06 0.00 -0.01 0.00 0.00 64.34 64.43 2k3d n VAL 67 Cb 0.45 -1.03 0.05 0.00 -0.91 0.00 0.00 33.84 32.41 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 1.07 -4.94 5.55 1.57 -1.88 -3.40 116.57 114.54 2k3d h LYS 68 Ca 0.00 -0.18 -0.67 0.00 -1.87 0.00 0.00 60.65 57.93 2k3d h LYS 68 Cb 0.00 -0.18 -0.32 0.00 0.08 0.00 0.00 32.23 31.81 2k3d h LYS 68 CO 0.00 0.86 -0.77 0.42 -0.57 0.00 0.00 179.45 179.39 2k3d s ILE 69 N -5.61 2.71 0.05 1.86 1.01 -0.97 -5.03 121.20 115.21 2k3d s ILE 69 Ca -0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.50 2k3d s ILE 69 Cb 0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2k3d s ILE 69 CO 0.82 0.27 0.01 0.72 0.00 0.00 0.00 174.94 176.75 2k3d s PHE 70 N 1.32 0.39 -0.04 3.97 -0.12 -1.26 -2.46 117.98 119.77 2k3d s PHE 70 Ca 0.01 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 56.11 2k3d s PHE 70 Cb -0.16 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 2k3d s PHE 70 CO -0.06 -0.35 -0.25 0.45 -0.05 0.00 0.00 175.22 174.96 2k3d s SER 71 N -2.51 3.00 0.02 1.98 0.15 0.38 -5.00 113.70 111.72 2k3d s SER 71 Ca 0.01 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.18 2k3d s SER 71 Cb 0.03 -0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 2k3d s SER 71 CO -0.07 0.27 -0.05 -0.55 1.20 0.00 0.00 173.24 174.04 2k3d s SER 72 N -0.34 0.53 0.85 5.45 0.15 -1.26 -2.02 113.70 117.06 2k3d s SER 72 Ca 0.02 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.18 2k3d s SER 72 Cb -0.12 0.02 0.12 0.00 -1.71 0.00 0.00 66.02 64.33 2k3d s SER 72 CO 0.02 -0.14 1.21 -0.44 1.20 0.00 0.00 173.24 175.09 2k3d s SER 73 N -1.02 4.06 0.28 5.45 0.01 -1.26 -4.80 113.70 116.43 2k3d s SER 73 Ca -0.08 0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.75 2k3d s SER 73 Cb -0.07 -0.91 0.41 0.00 0.21 0.00 0.00 66.02 65.66 2k3d s SER 73 CO -0.00 -2.16 1.76 1.05 0.41 0.00 0.00 173.24 174.30 2k3d h GLU 74 N -1.21 0.61 -0.23 12.44 4.11 -1.97 0.27 114.58 128.61 2k3d h GLU 74 Ca -0.45 -0.19 -0.06 0.00 0.07 0.00 0.00 59.36 58.73 2k3d h GLU 74 Cb 1.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2k3d h GLU 74 CO 0.56 0.72 -0.13 0.93 0.07 0.00 0.00 179.01 181.15 2k3d h GLU 75 N 0.56 0.37 0.00 1.06 5.08 -1.93 -2.49 114.58 117.24 2k3d h GLU 75 Ca 0.10 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2k3d h GLU 75 Cb 0.54 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2k3d h GLU 75 CO 0.03 0.51 -1.42 -0.11 -1.00 0.00 0.00 179.01 177.02 2k3d n LEU 76 N -4.23 0.76 -0.16 1.33 7.94 -1.02 -4.06 117.00 117.56 2k3d n LEU 76 Ca 0.00 0.32 -0.06 0.00 -1.11 0.00 0.00 56.01 55.17 2k3d n LEU 76 Cb 0.30 0.06 0.12 0.00 0.53 0.00 0.00 43.42 44.44 2k3d n LEU 76 CO 0.39 0.09 0.89 -0.78 -1.11 0.00 0.00 177.39 176.87 2k3d h ASP 77 N 0.00 0.87 0.64 1.96 1.82 -0.11 -2.09 116.42 119.51 2k3d h ASP 77 Ca -0.14 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2k3d h ASP 77 Cb 1.46 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2k3d h ASP 77 CO 0.03 0.91 0.00 2.29 -1.61 0.00 0.00 179.24 180.86 2k3d n LYS 78 N -4.22 0.12 0.00 0.28 2.85 -0.97 -2.09 118.16 114.13 2k3d n LYS 78 Ca 0.03 0.35 0.14 0.00 -1.05 0.00 0.00 58.31 57.78 2k3d n LYS 78 Cb 0.29 -1.72 0.62 0.00 -0.65 0.00 0.00 35.03 33.57 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 -1.95 0.05 -2.23 -1.58 2.81 -0.78 -4.80 117.12 108.65 2k3d n MET 79 Ca 0.03 0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.51 2k3d n MET 79 Cb 0.21 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 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 -2.95 3.19 -0.14 2.03 0.40 -0.89 -4.57 117.98 115.05 2k3d s PHE 80 Ca 0.15 0.99 -0.02 0.00 -0.60 0.00 0.00 56.93 57.45 2k3d s PHE 80 Cb 0.19 -3.63 -0.08 0.00 0.51 0.00 0.00 43.02 40.01 2k3d s PHE 80 CO 0.51 -2.19 -0.15 0.94 0.70 0.00 0.00 175.22 175.02 2k3d n GLN 81 N 4.25 0.33 -3.17 0.44 -0.06 -0.98 -5.03 117.38 113.15 2k3d n GLN 81 Ca 0.11 0.10 -0.21 0.00 -2.00 0.00 0.00 57.00 55.01 2k3d n GLN 81 Cb 0.43 -1.18 0.01 0.00 -4.06 0.00 0.00 30.24 25.44 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2k3d s GLU 82 N -2.27 3.04 0.56 3.69 0.41 -1.26 -5.06 118.70 117.80 2k3d s GLU 82 Ca -0.19 -0.77 -0.21 0.00 -0.41 0.00 0.00 54.97 53.38 2k3d s GLU 82 Cb 0.06 -2.68 -0.05 0.00 -1.78 0.00 0.00 34.13 29.68 2k3d s GLU 82 CO 0.29 -0.16 1.27 -2.30 -0.49 0.00 0.00 175.26 173.88 2k3d n PRO 83 N -1.90 1.49 -1.90 0.39 -0.02 -1.26 -4.89 135.00 126.91 2k3d n PRO 83 Ca 0.01 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 2k3d n PRO 83 Cb 0.58 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2k3d n PRO 83 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2k3d s ARG 84 N -2.85 4.19 0.00 -0.52 3.52 -1.26 -4.99 118.95 117.04 2k3d s ARG 84 Ca 0.73 2.35 0.01 0.00 -0.13 0.00 0.00 55.73 58.68 2k3d s ARG 84 Cb -0.42 -3.69 -0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2k3d s ARG 84 CO 0.49 -0.77 -0.02 0.15 -0.81 0.00 0.00 175.30 174.33 2k3d s LYS 85 N 2.94 0.19 1.03 5.12 1.02 -1.26 -5.13 119.74 123.65 2k3d s LYS 85 Ca 0.75 -0.13 -0.15 0.00 0.02 0.00 0.00 55.97 56.46 2k3d s LYS 85 Cb -0.40 -0.15 0.20 0.00 -0.52 0.00 0.00 37.83 36.97 2k3d s LYS 85 CO 0.33 0.04 1.16 0.20 -0.92 0.00 0.00 175.35 176.16 2k3d s GLY 86 N -0.18 1.62 0.18 -3.33 0.00 -1.26 -4.77 107.32 99.57 2k3d s GLY 86 Ca -0.01 -0.79 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 2k3d s GLY 86 CO -0.00 -0.07 1.81 -1.82 0.00 0.00 0.00 173.10 173.02 2k3d h TYR 87 N -1.92 0.76 -0.12 1.90 3.20 -1.97 -1.94 116.97 116.88 2k3d h TYR 87 Ca -0.48 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.27 2k3d h TYR 87 Cb 1.30 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2k3d h TYR 87 CO -0.78 0.52 -0.46 0.38 -1.64 0.00 0.00 178.16 176.18 2k3d h ASP 88 N 0.77 0.30 -0.35 -2.11 2.03 -1.99 -2.78 116.42 112.29 2k3d h ASP 88 Ca 0.21 -0.14 -0.06 0.00 -0.73 0.00 0.00 57.03 56.31 2k3d h ASP 88 Cb -0.02 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.39 2k3d h ASP 88 CO -0.04 0.72 -0.00 -0.33 -1.03 0.00 0.00 179.24 178.56 2k3d h GLU 89 N 0.23 0.63 -0.56 4.15 4.39 -1.78 -2.45 114.58 119.20 2k3d h GLU 89 Ca 0.02 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 2k3d h GLU 89 Cb 0.90 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 2k3d h GLU 89 CO 0.07 0.74 0.02 -0.84 -1.16 0.00 0.00 179.01 177.84 2k3d h ILE 90 N 0.44 1.26 -0.67 3.13 3.07 -1.32 -1.28 117.51 122.14 2k3d h ILE 90 Ca 0.10 -1.07 -0.03 0.00 1.55 0.00 0.00 64.86 65.41 2k3d h ILE 90 Cb 0.46 0.81 -0.03 0.00 -0.27 0.00 0.00 36.82 37.79 2k3d h ILE 90 CO 0.02 0.39 0.31 -0.07 -1.05 0.00 0.00 178.15 177.75 2k3d h LEU 91 N 0.87 0.88 -0.70 0.16 3.38 -1.37 -2.42 115.31 116.11 2k3d h LEU 91 Ca 0.16 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2k3d h LEU 91 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2k3d h LEU 91 CO 0.02 0.77 -0.16 -0.33 0.09 0.00 0.00 178.44 178.83 2k3d h GLU 92 N 0.92 0.83 -5.97 1.13 5.08 -1.20 -3.38 114.58 112.00 2k3d h GLU 92 Ca 0.23 -0.31 -0.59 0.00 -1.00 0.00 0.00 59.36 57.69 2k3d h GLU 92 Cb 0.13 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.22 2k3d h GLU 92 CO -0.03 0.94 0.78 -1.01 -1.00 0.00 0.00 179.01 178.69 2k3d s HIS 93 N -4.72 2.54 0.60 4.33 3.76 -0.50 -5.01 115.29 116.29 2k3d s HIS 93 Ca -0.10 -0.17 -0.10 0.00 -0.15 0.00 0.00 55.06 54.54 2k3d s HIS 93 Cb 0.13 -4.40 -0.03 0.00 1.11 0.00 0.00 32.58 29.39 2k3d s HIS 93 CO 0.84 -1.75 0.98 -1.58 -0.85 0.00 0.00 174.74 172.38 2k3d s HIS 94 N 4.75 3.57 -0.08 1.40 2.46 -1.26 -4.82 115.29 121.30 2k3d s HIS 94 Ca 0.30 1.15 -0.30 0.00 0.47 0.00 0.00 55.06 56.69 2k3d s HIS 94 Cb -0.12 -2.67 -0.02 0.00 -0.13 0.00 0.00 32.58 29.65 2k3d s HIS 94 CO 0.15 -0.66 1.00 -1.58 -2.47 0.00 0.00 174.74 171.18 2k3d s HIS 95 N -3.10 3.54 0.13 3.88 2.46 -1.26 -4.93 115.29 116.00 2k3d s HIS 95 Ca 0.54 1.61 -0.14 0.00 0.47 0.00 0.00 55.06 57.53 2k3d s HIS 95 Cb -0.11 -3.17 -0.02 0.00 -0.13 0.00 0.00 32.58 29.15 2k3d s HIS 95 CO 0.52 -0.18 1.57 1.25 -2.47 0.00 0.00 174.74 175.43 2k3d h HIS 96 N 7.03 0.79 -0.63 3.88 2.76 -2.04 -2.98 115.15 123.96 2k3d h HIS 96 Ca -0.33 -0.14 -0.02 0.00 -2.20 0.00 0.00 60.37 57.68 2k3d h HIS 96 Cb 1.16 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 2k3d h HIS 96 CO 0.70 0.80 0.32 1.25 -1.30 0.00 0.00 177.93 179.70 2k3d h HIS 97 N 0.55 0.90 0.00 5.26 -0.00 -2.05 -3.58 115.15 116.23 2k3d h HIS 97 Ca 0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2k3d h HIS 97 Cb 0.48 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2k3d h HIS 97 CO 0.04 0.67 0.00 0.72 -0.00 0.00 0.00 177.93 179.35