#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3d n PHE 13 N 0.00 0.82 0.26 0.00 -1.74 -1.26 -2.31 117.46 113.24 2k3d n PHE 13 Ca 0.00 0.34 0.09 0.00 -0.56 0.00 0.00 57.45 57.32 2k3d n PHE 13 Cb 0.00 -1.05 0.68 0.00 1.52 0.00 0.00 39.48 40.63 2k3d n PHE 13 CO 0.00 0.00 0.00 0.74 -0.56 0.00 0.00 176.76 176.94 2k3d h PHE 14 N 0.00 0.00 -0.70 2.97 0.04 -2.06 -1.65 116.94 115.54 2k3d h PHE 14 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2k3d h PHE 14 Cb 0.29 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 2k3d h PHE 14 CO 0.00 0.00 0.35 -0.97 -0.60 0.00 0.00 178.31 177.09 2k3d h ASN 15 N 0.00 0.89 -0.41 2.17 -0.73 -1.89 -1.93 115.58 113.67 2k3d h ASN 15 Ca 0.00 -0.09 0.02 0.00 1.87 0.00 0.00 56.30 58.11 2k3d h ASN 15 Cb 0.02 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 2k3d h ASN 15 CO -0.00 0.74 0.22 -0.33 -0.37 0.00 0.00 177.43 177.69 2k3d h GLU 16 N 0.99 0.44 -0.39 6.67 4.39 -1.50 -0.34 114.58 124.83 2k3d h GLU 16 Ca 0.24 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 2k3d h GLU 16 Cb 0.08 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2k3d h GLU 16 CO -0.03 0.29 -0.18 0.37 -1.16 0.00 0.00 179.01 178.29 2k3d h GLN 17 N 0.45 0.75 -0.68 2.33 -0.00 -1.55 -2.59 115.11 113.82 2k3d h GLN 17 Ca 0.17 -0.28 -0.03 0.00 -0.00 0.00 0.00 58.65 58.51 2k3d h GLN 17 Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.44 2k3d h GLN 17 CO -0.09 0.88 0.32 -0.22 0.00 0.00 0.00 178.83 179.71 2k3d h LYS 18 N 0.66 0.98 -0.65 1.69 1.63 -0.69 -1.55 116.57 118.63 2k3d h LYS 18 Ca 0.10 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 2k3d h LYS 18 Cb 0.67 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 2k3d h LYS 18 CO 0.05 0.79 0.12 1.49 -3.45 0.00 0.00 179.45 178.45 2k3d h GLU 19 N 0.95 1.07 -0.70 1.90 4.81 -0.90 -2.27 114.58 119.43 2k3d h GLU 19 Ca 0.23 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2k3d h GLU 19 Cb 0.13 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2k3d h GLU 19 CO -0.03 0.98 0.22 0.87 -0.73 0.00 0.00 179.01 180.32 2k3d h LYS 20 N 0.99 1.10 -0.60 1.92 1.57 -1.08 -2.65 116.57 117.82 2k3d h LYS 20 Ca 0.20 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2k3d h LYS 20 Cb 0.41 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2k3d h LYS 20 CO 0.01 0.94 0.14 0.28 -0.57 0.00 0.00 179.45 180.25 2k3d h VAL 21 N 1.04 1.25 -0.39 0.50 2.07 -1.06 -2.12 116.25 117.53 2k3d h VAL 21 Ca 0.23 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2k3d h VAL 21 Cb 0.30 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2k3d h VAL 21 CO -0.01 0.34 0.25 0.74 0.02 0.00 0.00 177.57 178.92 2k3d h THR 22 N 0.88 1.08 -0.77 2.57 2.02 -1.17 -2.04 112.91 115.48 2k3d h THR 22 Ca 0.19 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 2k3d h THR 22 Cb 0.36 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2k3d h THR 22 CO 0.00 0.09 0.27 0.25 0.37 0.00 0.00 175.52 176.51 2k3d h LEU 23 N 0.52 1.09 -0.23 2.58 5.85 -1.34 -2.21 115.31 121.56 2k3d h LEU 23 Ca 0.15 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2k3d h LEU 23 Cb -0.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2k3d h LEU 23 CO -0.04 0.99 0.11 0.22 -0.34 0.00 0.00 178.44 179.38 2k3d h TYR 24 N 1.13 0.20 -0.72 1.25 5.03 -0.90 -2.59 116.97 120.37 2k3d h TYR 24 Ca 0.25 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.51 2k3d h TYR 24 Cb 0.27 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.46 2k3d h TYR 24 CO 0.02 0.11 0.23 -0.07 -1.32 0.00 0.00 178.16 177.13 2k3d h LEU 25 N 0.23 1.04 -0.01 2.82 3.38 -1.21 -1.65 115.31 119.92 2k3d h LEU 25 Ca 0.10 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2k3d h LEU 25 Cb 0.03 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 2k3d h LEU 25 CO -0.07 0.97 -0.45 0.11 0.09 0.00 0.00 178.44 179.09 2k3d h LYS 26 N 1.05 -0.53 -0.17 1.13 1.57 -1.00 0.60 116.57 119.22 2k3d h LYS 26 Ca 0.23 0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.88 2k3d h LYS 26 Cb 0.30 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2k3d h LYS 26 CO -0.01 -0.36 -0.57 1.12 -0.57 0.00 0.00 179.45 179.07 2k3d h HIS 27 N -0.55 0.67 -0.64 -1.35 2.07 -1.55 -3.16 115.15 110.64 2k3d h HIS 27 Ca 0.01 -0.24 -0.06 0.00 -2.85 0.00 0.00 60.37 57.23 2k3d h HIS 27 Cb 0.60 -0.12 -0.03 0.00 2.57 0.00 0.00 27.41 30.43 2k3d h HIS 27 CO -0.50 0.98 0.16 -0.91 -3.07 0.00 0.00 177.93 174.59 2k3d h ASN 28 N 0.40 0.97 -3.40 3.10 2.35 -0.98 -3.41 115.58 114.61 2k3d h ASN 28 Ca 0.00 -0.23 -0.58 0.00 -0.55 0.00 0.00 56.30 54.94 2k3d h ASN 28 Cb 1.12 -0.26 -0.38 0.00 0.05 0.00 0.00 38.32 38.85 2k3d h ASN 28 CO 0.11 0.95 -0.80 -0.63 -1.65 0.00 0.00 177.43 175.41 2k3d s ILE 29 N -5.32 1.33 -0.45 2.81 1.01 0.21 -2.51 121.20 118.27 2k3d s ILE 29 Ca -0.12 -0.84 0.26 0.00 0.00 0.00 0.00 60.65 59.94 2k3d s ILE 29 Cb 0.14 -1.50 0.28 0.00 0.01 0.00 0.00 42.46 41.39 2k3d s ILE 29 CO 0.83 0.10 1.76 1.55 0.00 0.00 0.00 174.94 179.18 2k3d h PRO 30 N 8.05 0.00 -0.21 2.79 0.13 -1.79 -2.58 132.00 138.39 2k3d h PRO 30 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 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 0.43 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.95 2k3d n ASP 31 N -2.41 2.04 -4.68 1.44 8.00 -1.26 -4.93 116.55 114.75 2k3d n ASP 31 Ca 0.03 -1.78 -0.46 0.00 0.71 0.00 0.00 54.79 53.29 2k3d n ASP 31 Cb 0.30 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.57 2.34 0.04 1.24 7.35 -0.97 -4.88 117.46 123.15 2k3d n PHE 32 Ca 0.17 0.21 -0.01 0.00 -0.76 0.00 0.00 57.45 57.05 2k3d n PHE 32 Cb 0.39 -2.57 -0.00 0.00 0.35 0.00 0.00 39.48 37.64 2k3d n PHE 32 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2k3d n ASN 33 N 3.82 1.16 -4.03 -2.13 3.02 -1.26 -5.05 115.26 110.79 2k3d n ASN 33 Ca 0.17 0.15 -0.10 0.00 -0.03 0.00 0.00 54.58 54.78 2k3d n ASN 33 Cb 0.30 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.03 2k3d n ASN 33 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k3d s THR 34 N -2.08 0.04 -0.03 3.41 -1.32 -1.26 -4.98 115.64 109.42 2k3d s THR 34 Ca -0.03 -1.55 0.02 0.00 -1.21 0.00 0.00 61.69 58.92 2k3d s THR 34 Cb 0.00 -2.07 0.01 0.00 -1.51 0.00 0.00 72.50 68.93 2k3d s THR 34 CO 0.04 -0.18 -0.08 0.54 -2.21 0.00 0.00 174.62 172.72 2k3d s VAL 35 N -4.02 0.75 -0.33 5.08 0.11 -1.26 -2.08 120.40 118.64 2k3d s VAL 35 Ca 0.23 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2k3d s VAL 35 Cb 0.03 -0.68 0.07 0.00 -1.53 0.00 0.00 36.38 34.28 2k3d s VAL 35 CO 0.05 0.24 0.05 -0.89 -3.33 0.00 0.00 175.10 171.22 2k3d s THR 36 N 0.35 2.87 0.23 5.04 2.01 0.09 -5.01 115.64 121.23 2k3d s THR 36 Ca -0.05 -1.74 -0.29 0.00 0.31 0.00 0.00 61.69 59.92 2k3d s THR 36 Cb -0.10 -2.81 -0.09 0.00 0.01 0.00 0.00 72.50 69.51 2k3d s THR 36 CO 0.01 -0.33 0.91 -0.36 -0.69 0.00 0.00 174.62 174.16 2k3d s PHE 37 N 1.15 3.96 0.00 4.92 0.08 -1.26 -2.29 117.98 124.54 2k3d s PHE 37 Ca 0.00 1.86 0.00 0.00 0.12 0.00 0.00 56.93 58.91 2k3d s PHE 37 Cb -0.20 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 2k3d s PHE 37 CO -0.03 0.46 0.00 0.25 -0.10 0.00 0.00 175.22 175.80 2k3d n THR 38 N 1.46 0.00 -3.03 0.64 -2.24 0.87 -4.96 114.28 107.03 2k3d n THR 38 Ca -0.02 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2k3d n THR 38 Cb 0.47 -0.79 0.02 0.00 -2.10 0.00 0.00 70.33 67.93 2k3d n THR 38 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k3d n ASN 39 N -2.20 -7.25 -1.29 3.42 3.02 -1.00 -4.95 115.26 105.01 2k3d n ASN 39 Ca 0.00 0.47 0.01 0.00 -0.03 0.00 0.00 54.58 55.03 2k3d n ASN 39 Cb 0.50 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 2k3d n ASN 39 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2k3d n GLU 40 N -0.04 0.00 -3.63 3.52 0.28 -1.26 -4.96 120.64 114.55 2k3d n GLU 40 Ca 0.04 -1.66 -0.11 0.00 -0.16 0.00 0.00 57.16 55.27 2k3d n GLU 40 Cb 0.46 0.05 -0.07 0.00 1.43 0.00 0.00 31.44 33.31 2k3d n GLU 40 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2k3d s GLU 41 N 0.00 0.77 0.04 3.44 2.12 -1.26 -5.04 118.70 118.78 2k3d s GLU 41 Ca 0.23 1.08 0.08 0.00 0.36 0.00 0.00 54.97 56.72 2k3d s GLU 41 Cb 0.27 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.93 2k3d s GLU 41 CO -0.12 -0.12 -0.22 -0.59 -0.54 0.00 0.00 175.26 173.68 2k3d s PHE 42 N 0.89 1.90 0.08 5.30 -0.12 -1.26 -3.75 117.98 121.03 2k3d s PHE 42 Ca -0.04 -0.38 -0.02 0.00 -0.05 0.00 0.00 56.93 56.44 2k3d s PHE 42 Cb -0.05 -1.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.16 2k3d s PHE 42 CO -0.08 0.09 0.26 -0.80 -0.05 0.00 0.00 175.22 174.64 2k3d s ASN 43 N -1.15 6.40 0.55 1.98 0.01 -0.34 -4.87 114.94 117.52 2k3d s ASN 43 Ca 0.08 0.37 0.33 0.00 -0.71 0.00 0.00 52.86 52.94 2k3d s ASN 43 Cb -0.09 -2.00 1.47 0.00 0.41 0.00 0.00 41.25 41.04 2k3d s ASN 43 CO 0.02 0.13 2.03 1.55 -1.51 0.00 0.00 177.10 179.32 2k3d h PRO 44 N 3.01 0.00 -0.01 -0.60 0.13 -2.01 -2.40 132.00 130.13 2k3d h PRO 44 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k3d h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k3d h PRO 44 CO 0.75 0.04 -0.48 0.44 -0.23 0.00 0.00 178.00 178.52 2k3d n ILE 45 N -3.18 0.00 -3.65 -3.56 -5.35 -1.26 -5.04 119.36 97.32 2k3d n ILE 45 Ca -0.00 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2k3d n ILE 45 Cb 0.28 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 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 1.42 -1.25 3.86 3.28 0.00 -0.90 -5.05 105.19 106.55 2k3d n GLY 46 Ca 0.09 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.00 4.67 0.00 -0.61 -4.36 -1.26 -1.20 121.20 115.44 2k3d s ILE 47 Ca 0.00 0.90 0.01 0.00 -0.26 0.00 0.00 60.65 61.30 2k3d s ILE 47 Cb 0.00 -3.80 -0.01 0.00 1.25 0.00 0.00 42.46 39.91 2k3d s ILE 47 CO 0.00 -0.86 -0.02 -0.55 0.24 0.00 0.00 174.94 173.74 2k3d s SER 48 N -3.62 0.25 -0.15 4.36 0.15 -1.25 -1.30 113.70 112.14 2k3d s SER 48 Ca 0.55 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.06 2k3d s SER 48 Cb -0.10 -0.00 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2k3d s SER 48 CO 0.42 -0.04 -0.10 -0.63 1.20 0.00 0.00 173.24 174.09 2k3d s ILE 49 N -0.31 3.26 0.14 6.45 1.01 0.08 -4.54 121.20 127.29 2k3d s ILE 49 Ca -0.02 -0.57 0.10 0.00 0.00 0.00 0.00 60.65 60.15 2k3d s ILE 49 Cb -0.02 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2k3d s ILE 49 CO -0.00 0.50 -0.20 -1.81 0.00 0.00 0.00 174.94 173.43 2k3d s ASP 50 N 0.58 3.73 0.00 3.58 1.11 -1.26 -1.44 116.67 122.98 2k3d s ASP 50 Ca -0.06 -0.65 0.00 0.00 0.18 0.00 0.00 52.55 52.02 2k3d s ASP 50 Cb -0.15 -0.45 0.00 0.00 1.07 0.00 0.00 42.92 43.39 2k3d s ASP 50 CO 0.03 0.16 0.00 0.61 1.18 0.00 0.00 175.17 177.15 2k3d n GLY 51 N 0.66 -0.53 3.45 0.21 0.00 -0.65 -0.09 105.19 108.24 2k3d n GLY 51 Ca -0.15 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.32 0.31 0.36 1.61 -0.85 -0.97 0.21 117.35 114.70 2k3d s TYR 52 Ca 0.00 -0.66 0.07 0.00 -0.52 0.00 0.00 57.07 55.96 2k3d s TYR 52 Cb 0.00 0.09 -0.07 0.00 0.38 0.00 0.00 41.96 42.36 2k3d s TYR 52 CO 0.00 -0.84 -0.02 0.96 -1.52 0.00 0.00 175.55 174.12 2k3d s ILE 53 N -3.97 1.92 -1.54 -3.49 -4.36 -1.23 -0.73 121.20 107.80 2k3d s ILE 53 Ca 0.18 -2.08 -0.04 0.00 -0.26 0.00 0.00 60.65 58.45 2k3d s ILE 53 Cb 0.01 -2.80 0.01 0.00 1.25 0.00 0.00 42.46 40.94 2k3d s ILE 53 CO 0.03 -0.10 0.42 0.59 0.24 0.00 0.00 174.94 176.12 2k3d n ASN 54 N -0.83 -5.64 -3.37 4.36 3.02 -0.88 -2.15 115.26 109.76 2k3d n ASN 54 Ca -0.05 -0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.10 2k3d n ASN 54 Cb 0.65 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 35.18 2k3d n ASN 54 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2k3d n ASN 55 N -2.34 -1.90 -4.15 6.41 2.85 -1.26 -4.88 115.26 110.00 2k3d n ASN 55 Ca -0.13 -0.29 -0.35 0.00 -0.11 0.00 0.00 54.58 53.70 2k3d n ASN 55 Cb 0.63 -1.68 -0.14 0.00 1.24 0.00 0.00 39.78 39.83 2k3d n ASN 55 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2k3d s ASP 56 N -2.57 4.91 0.35 1.20 1.01 -0.91 -4.97 116.67 115.68 2k3d s ASP 56 Ca 0.37 -1.46 0.03 0.00 0.71 0.00 0.00 52.55 52.20 2k3d s ASP 56 Cb -0.21 -1.71 0.66 0.00 1.01 0.00 0.00 42.92 42.67 2k3d s ASP 56 CO 0.45 -0.31 1.97 0.11 0.21 0.00 0.00 175.17 177.61 2k3d h LYS 57 N 7.96 0.82 -0.60 8.23 1.57 -1.89 -1.78 116.57 130.88 2k3d h LYS 57 Ca -0.18 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2k3d h LYS 57 Cb 1.05 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 2k3d h LYS 57 CO 0.55 0.54 0.24 -0.91 -0.57 0.00 0.00 179.45 179.31 2k3d h ASN 58 N 0.85 0.79 -1.26 0.86 2.35 -1.96 -3.34 115.58 113.87 2k3d h ASN 58 Ca 0.29 -0.10 -0.67 0.00 -0.55 0.00 0.00 56.30 55.27 2k3d h ASN 58 Cb 0.09 -0.20 -0.11 0.00 0.05 0.00 0.00 38.32 38.15 2k3d h ASN 58 CO -0.09 0.70 1.77 -0.76 -1.65 0.00 0.00 177.43 177.41 2k3d s LEU 59 N -9.50 4.04 0.34 1.61 1.43 -0.67 -4.93 118.68 111.00 2k3d s LEU 59 Ca -0.10 -2.23 -0.25 0.00 -1.03 0.00 0.00 54.13 50.51 2k3d s LEU 59 Cb 0.16 -2.53 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 2k3d s LEU 59 CO 0.79 -1.18 0.95 -0.55 0.23 0.00 0.00 176.35 176.59 2k3d s SER 60 N 4.16 7.26 -0.02 2.29 0.15 -1.25 -3.52 113.70 122.77 2k3d s SER 60 Ca 0.48 1.82 -0.00 0.00 0.70 0.00 0.00 55.95 58.95 2k3d s SER 60 Cb 0.01 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2k3d s SER 60 CO 0.00 -0.12 0.04 0.12 1.20 0.00 0.00 173.24 174.48 2k3d s PHE 61 N -1.71 0.01 -0.02 3.44 5.36 0.13 -2.37 117.98 122.82 2k3d s PHE 61 Ca 0.52 0.15 0.02 0.00 -0.96 0.00 0.00 56.93 56.66 2k3d s PHE 61 Cb -0.17 -0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.30 2k3d s PHE 61 CO 0.22 -0.09 -0.06 0.99 -1.46 0.00 0.00 175.22 174.82 2k3d s THR 62 N 1.05 0.53 0.02 0.12 2.01 0.09 -1.63 115.64 117.83 2k3d s THR 62 Ca -0.09 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2k3d s THR 62 Cb -0.12 -0.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 2k3d s THR 62 CO -0.03 0.18 -0.08 0.00 -0.69 0.00 0.00 174.62 173.99 2k3d s ALA 63 N 0.20 0.68 0.68 7.40 0.00 -0.52 0.32 121.76 130.53 2k3d s ALA 63 Ca -0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 2k3d s ALA 63 Cb -0.07 -0.10 0.10 0.00 0.00 0.00 0.00 23.12 23.06 2k3d s ALA 63 CO -0.00 0.11 0.94 0.20 0.00 0.00 0.00 175.76 177.01 2k3d s GLY 64 N -0.77 1.77 0.21 0.00 0.00 -0.86 -0.74 107.32 106.93 2k3d s GLY 64 Ca -0.01 -1.62 -0.32 0.00 0.00 0.00 0.00 44.72 42.76 2k3d s GLY 64 CO 0.00 -1.12 1.40 1.17 0.00 0.00 0.00 173.10 174.55 2k3d n LYS 65 N -2.72 1.90 -2.95 2.90 4.81 -0.42 -1.34 118.16 120.33 2k3d n LYS 65 Ca 0.13 0.68 -0.22 0.00 -0.87 0.00 0.00 58.31 58.03 2k3d n LYS 65 Cb 0.60 -2.33 0.02 0.00 0.02 0.00 0.00 35.03 33.34 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k3d n ASP 66 N 2.36 -5.56 0.00 3.14 8.00 -1.26 -4.14 116.55 119.09 2k3d n ASP 66 Ca 0.13 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2k3d n ASP 66 Cb 0.30 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 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 -4.28 0.00 0.00 2.53 0.31 -0.45 -4.77 118.33 111.68 2k3d n VAL 67 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2k3d n VAL 67 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 2k3d n VAL 67 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2k3d n LYS 68 N 0.00 0.00 -4.48 5.55 5.02 -1.26 -3.90 118.16 119.09 2k3d n LYS 68 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 2k3d n LYS 68 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 2k3d n LYS 68 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k3d s ILE 69 N 0.00 3.93 0.16 -0.18 1.01 -1.26 -5.00 121.20 119.86 2k3d s ILE 69 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2k3d s ILE 69 Cb 0.00 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2k3d s ILE 69 CO 0.00 0.56 0.08 0.72 0.00 0.00 0.00 174.94 176.31 2k3d s PHE 70 N -0.41 1.00 0.06 3.97 -0.71 -1.26 -2.03 117.98 118.60 2k3d s PHE 70 Ca 0.07 -1.29 0.03 0.00 -1.04 0.00 0.00 56.93 54.71 2k3d s PHE 70 Cb -0.12 -0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 41.13 2k3d s PHE 70 CO 0.02 -0.56 -0.10 0.45 -1.34 0.00 0.00 175.22 173.69 2k3d s SER 71 N -3.10 1.24 0.12 1.98 0.15 0.15 -4.98 113.70 109.26 2k3d s SER 71 Ca 0.30 -0.62 -0.13 0.00 0.70 0.00 0.00 55.95 56.20 2k3d s SER 71 Cb 0.07 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 2k3d s SER 71 CO 0.06 -0.17 0.34 -0.94 1.20 0.00 0.00 173.24 173.73 2k3d s SER 72 N -1.78 -0.11 0.79 5.45 1.04 -1.26 -0.73 113.70 117.10 2k3d s SER 72 Ca -0.05 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 55.80 2k3d s SER 72 Cb -0.09 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.53 2k3d s SER 72 CO 0.01 -0.83 1.10 -0.94 0.98 0.00 0.00 173.24 173.56 2k3d s SER 73 N -2.84 4.59 0.19 7.02 1.04 -1.00 -4.76 113.70 117.93 2k3d s SER 73 Ca 0.05 1.26 -0.12 0.00 0.48 0.00 0.00 55.95 57.63 2k3d s SER 73 Cb 0.03 -2.00 0.11 0.00 0.10 0.00 0.00 66.02 64.25 2k3d s SER 73 CO -0.10 -1.91 1.82 -0.33 0.98 0.00 0.00 173.24 173.70 2k3d h GLU 74 N -1.04 0.88 -0.25 4.02 3.07 -1.94 0.58 114.58 119.89 2k3d h GLU 74 Ca -0.47 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.23 2k3d h GLU 74 Cb 1.27 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 2k3d h GLU 74 CO 0.60 0.64 -0.17 0.93 -1.40 0.00 0.00 179.01 179.61 2k3d h GLU 75 N 0.87 0.44 0.00 2.33 5.08 -1.92 -2.46 114.58 118.92 2k3d h GLU 75 Ca 0.23 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2k3d h GLU 75 Cb -0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2k3d h GLU 75 CO -0.04 0.60 -0.78 1.25 -1.00 0.00 0.00 179.01 179.04 2k3d h LEU 76 N 0.40 0.00 -0.37 1.33 5.85 -1.72 -3.32 115.31 117.48 2k3d h LEU 76 Ca 0.07 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2k3d h LEU 76 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2k3d h LEU 76 CO 0.03 0.62 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.95 2k3d h ASP 77 N 0.00 0.66 0.58 1.25 1.82 0.61 -2.73 116.42 118.60 2k3d h ASP 77 Ca -0.04 -0.32 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 2k3d h ASP 77 Cb 1.50 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.34 2k3d h ASP 77 CO 0.07 0.82 0.00 2.29 -1.61 0.00 0.00 179.24 180.81 2k3d n LYS 78 N -4.46 0.01 0.00 0.28 2.85 -1.04 -2.33 118.16 113.47 2k3d n LYS 78 Ca -0.01 0.20 0.14 0.00 -1.05 0.00 0.00 58.31 57.59 2k3d n LYS 78 Cb 0.29 -1.50 0.57 0.00 -0.65 0.00 0.00 35.03 33.75 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 -1.49 0.13 -2.15 -1.58 2.81 -1.03 -4.84 117.12 108.96 2k3d n MET 79 Ca 0.04 -0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.50 2k3d n MET 79 Cb 0.20 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 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 -2.89 3.16 0.00 2.03 0.40 -0.98 -4.75 117.98 114.95 2k3d s PHE 80 Ca 0.17 1.22 0.00 0.00 -0.60 0.00 0.00 56.93 57.72 2k3d s PHE 80 Cb 0.19 -3.67 0.00 0.00 0.51 0.00 0.00 43.02 40.05 2k3d s PHE 80 CO 0.55 -2.04 0.00 0.94 0.70 0.00 0.00 175.22 175.36 2k3d n GLN 81 N 2.12 0.00 -3.04 0.44 7.27 -1.05 -4.98 117.38 118.14 2k3d n GLN 81 Ca 0.05 0.11 -0.29 0.00 0.07 0.00 0.00 57.00 56.94 2k3d n GLN 81 Cb 0.42 -0.49 -0.03 0.00 2.41 0.00 0.00 30.24 32.56 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2k3d s GLU 82 N -0.58 3.68 1.02 3.69 -1.05 -1.26 -5.05 118.70 119.16 2k3d s GLU 82 Ca 0.00 0.22 -0.20 0.00 -0.15 0.00 0.00 54.97 54.84 2k3d s GLU 82 Cb 0.00 -2.50 -0.07 0.00 -0.44 0.00 0.00 34.13 31.12 2k3d s GLU 82 CO 0.00 0.05 -0.65 -2.30 0.95 0.00 0.00 175.26 173.31 2k3d n PRO 83 N -1.29 -0.43 -2.16 -4.83 -0.02 -1.26 -4.85 135.00 120.17 2k3d n PRO 83 Ca 0.00 -0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 60.96 2k3d n PRO 83 Cb 0.54 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 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 -2.63 4.37 -0.00 -0.52 0.52 -1.26 -5.02 118.95 114.40 2k3d s ARG 84 Ca 0.45 2.14 0.02 0.00 -0.52 0.00 0.00 55.73 57.82 2k3d s ARG 84 Cb -0.08 -3.14 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 2k3d s ARG 84 CO 0.71 -0.25 -0.07 0.15 0.02 0.00 0.00 175.30 175.87 2k3d s LYS 85 N -0.67 0.54 0.89 3.54 1.02 -1.26 -5.15 119.74 118.65 2k3d s LYS 85 Ca 0.55 -0.26 -0.12 0.00 0.02 0.00 0.00 55.97 56.16 2k3d s LYS 85 Cb -0.38 -0.51 0.12 0.00 -0.52 0.00 0.00 37.83 36.54 2k3d s LYS 85 CO 0.43 0.14 1.10 0.20 -0.92 0.00 0.00 175.35 176.30 2k3d s GLY 86 N -0.21 1.61 0.18 -3.33 0.00 -1.26 -4.87 107.32 99.45 2k3d s GLY 86 Ca 0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.45 2k3d s GLY 86 CO -0.00 0.32 1.77 -1.82 0.00 0.00 0.00 173.10 173.37 2k3d h TYR 87 N -1.47 0.88 -0.59 1.90 3.20 -1.94 -2.63 116.97 116.32 2k3d h TYR 87 Ca -0.50 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.28 2k3d h TYR 87 Cb 1.29 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2k3d h TYR 87 CO 0.41 0.66 0.15 -0.44 -1.64 0.00 0.00 178.16 177.30 2k3d h ASP 88 N 0.85 0.85 -0.38 -2.11 5.19 -1.96 -1.63 116.42 117.23 2k3d h ASP 88 Ca 0.21 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.42 2k3d h ASP 88 Cb 0.11 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2k3d h ASP 88 CO -0.03 0.82 0.06 -0.08 -3.12 0.00 0.00 179.24 176.90 2k3d h GLU 89 N 0.87 0.63 -0.05 3.56 4.22 -1.84 -2.59 114.58 119.39 2k3d h GLU 89 Ca 0.19 -0.17 -0.15 0.00 0.08 0.00 0.00 59.36 59.31 2k3d h GLU 89 Cb 0.31 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k3d h GLU 89 CO -0.00 0.69 -0.65 -0.84 -2.18 0.00 0.00 179.01 176.03 2k3d h ILE 90 N 0.48 1.41 -0.74 2.32 3.07 -1.35 -3.15 117.51 119.55 2k3d h ILE 90 Ca 0.12 -2.10 -0.05 0.00 1.55 0.00 0.00 64.86 64.37 2k3d h ILE 90 Cb 0.37 2.09 -0.03 0.00 -0.27 0.00 0.00 36.82 38.98 2k3d h ILE 90 CO 0.01 0.62 0.25 0.25 -1.05 0.00 0.00 178.15 178.22 2k3d h LEU 91 N 0.14 1.06 -1.89 0.16 5.85 -1.17 -2.05 115.31 117.42 2k3d h LEU 91 Ca -0.01 -0.20 0.21 0.00 0.84 0.00 0.00 57.88 58.72 2k3d h LEU 91 Cb 1.17 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 2k3d h LEU 91 CO 0.10 0.98 0.64 -0.08 -0.34 0.00 0.00 178.44 179.74 2k3d h GLU 92 N 1.08 0.00 -5.10 1.25 4.81 -1.42 -3.36 114.58 111.84 2k3d h GLU 92 Ca 0.24 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.84 2k3d h GLU 92 Cb 0.28 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.47 2k3d h GLU 92 CO -0.01 0.00 -0.59 -1.01 -0.73 0.00 0.00 179.01 176.67 2k3d s HIS 93 N -4.74 3.16 0.09 0.92 3.76 -0.77 -4.87 115.29 112.84 2k3d s HIS 93 Ca -0.04 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 2k3d s HIS 93 Cb 0.18 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.70 2k3d s HIS 93 CO 0.64 -0.11 0.00 1.58 -0.85 0.00 0.00 174.74 175.99 2k3d n HIS 94 N 4.28 -1.84 0.04 1.40 -0.00 -1.26 -4.90 115.22 112.95 2k3d n HIS 94 Ca -0.16 0.26 -0.03 0.00 -0.00 0.00 0.00 57.72 57.79 2k3d n HIS 94 Cb 0.52 0.95 0.22 0.00 -0.00 0.00 0.00 29.99 31.68 2k3d n HIS 94 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2k3d h HIS 95 N 0.00 0.47 -3.35 1.57 2.07 -1.94 -3.49 115.15 110.48 2k3d h HIS 95 Ca 0.00 -0.10 0.23 0.00 -2.85 0.00 0.00 60.37 57.65 2k3d h HIS 95 Cb 0.00 -0.12 -0.13 0.00 2.57 0.00 0.00 27.41 29.74 2k3d h HIS 95 CO 0.00 0.65 -1.08 1.58 -3.07 0.00 0.00 177.93 176.02 2k3d n HIS 96 N -4.12 -3.56 -3.72 6.12 -0.00 -1.26 -5.04 115.22 103.65 2k3d n HIS 96 Ca -0.01 1.96 -0.10 0.00 0.46 0.00 0.00 57.72 60.03 2k3d n HIS 96 Cb 0.41 -3.16 -0.05 0.00 -0.12 0.00 0.00 29.99 27.07 2k3d n HIS 96 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k3d s HIS 97 N -4.66 -0.09 -2.00 1.57 -3.43 -1.26 -5.24 115.29 100.18 2k3d s HIS 97 Ca 0.00 -0.25 0.02 0.00 -0.80 0.00 0.00 55.06 54.04 2k3d s HIS 97 Cb 0.00 0.27 0.13 0.00 -1.43 0.00 0.00 32.58 31.56 2k3d s HIS 97 CO 0.00 -0.80 0.62 0.72 -2.00 0.00 0.00 174.74 173.28