#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 0.00 -0.81 0.00 0.04 -2.06 -2.08 116.94 112.03 2k3d h PHE 13 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2k3d h PHE 13 Cb 0.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2k3d h PHE 13 CO 0.00 0.05 0.54 0.74 -0.60 0.00 0.00 178.31 179.03 2k3d h PHE 14 N 0.00 1.01 -0.78 -0.55 0.04 -2.04 -1.81 116.94 112.81 2k3d h PHE 14 Ca -0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2k3d h PHE 14 Cb 0.10 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 2k3d h PHE 14 CO 0.00 0.62 0.37 -0.91 -0.60 0.00 0.00 178.31 177.78 2k3d h ASN 15 N 1.07 1.03 -0.53 2.17 2.35 -1.82 -1.47 115.58 118.38 2k3d h ASN 15 Ca 0.31 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2k3d h ASN 15 Cb -0.08 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 2k3d h ASN 15 CO -0.07 0.88 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.19 2k3d h GLU 16 N 1.10 1.00 -0.69 0.81 5.08 -1.45 -2.60 114.58 117.83 2k3d h GLU 16 Ca 0.27 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2k3d h GLU 16 Cb 0.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2k3d h GLU 16 CO -0.03 1.02 0.18 1.96 -1.00 0.00 0.00 179.01 181.14 2k3d h GLN 17 N 0.91 1.11 -0.64 2.33 1.08 -0.92 -2.25 115.11 116.72 2k3d h GLN 17 Ca 0.15 -0.26 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 2k3d h GLN 17 Cb 0.61 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2k3d h GLN 17 CO 0.04 0.98 0.26 0.87 -0.95 0.00 0.00 178.83 180.03 2k3d h LYS 18 N 1.04 0.96 -0.24 1.46 1.57 -1.09 0.19 116.57 120.45 2k3d h LYS 18 Ca 0.22 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2k3d h LYS 18 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2k3d h LYS 18 CO 0.00 0.80 0.03 0.93 -0.57 0.00 0.00 179.45 180.64 2k3d h GLU 19 N 0.90 0.40 -0.44 3.15 5.08 -1.28 -0.17 114.58 122.22 2k3d h GLU 19 Ca 0.21 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2k3d h GLU 19 Cb 0.20 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2k3d h GLU 19 CO -0.02 0.54 0.04 0.87 -1.00 0.00 0.00 179.01 179.44 2k3d h LYS 20 N 0.20 0.75 -0.41 2.33 1.57 -1.28 -1.28 116.57 118.45 2k3d h LYS 20 Ca 0.07 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2k3d h LYS 20 Cb 0.34 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2k3d h LYS 20 CO 0.01 0.80 0.05 0.28 -0.57 0.00 0.00 179.45 180.02 2k3d h VAL 21 N 0.60 1.25 -0.38 0.50 2.07 -0.89 -0.62 116.25 118.77 2k3d h VAL 21 Ca 0.13 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2k3d h VAL 21 Cb 0.43 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2k3d h VAL 21 CO 0.01 0.31 0.18 0.74 0.02 0.00 0.00 177.57 178.84 2k3d h THR 22 N 0.54 1.17 -0.48 2.57 2.02 -0.92 0.16 112.91 117.96 2k3d h THR 22 Ca 0.12 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2k3d h THR 22 Cb 0.39 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2k3d h THR 22 CO 0.01 0.18 0.19 0.25 0.37 0.00 0.00 175.52 176.52 2k3d h LEU 23 N 0.48 0.67 -0.25 2.58 5.85 -1.10 0.72 115.31 124.25 2k3d h LEU 23 Ca 0.13 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2k3d h LEU 23 Cb 0.12 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2k3d h LEU 23 CO -0.02 0.67 0.13 0.22 -0.34 0.00 0.00 178.44 179.10 2k3d h TYR 24 N 0.64 0.36 -0.71 1.25 3.20 -0.85 -2.10 116.97 118.77 2k3d h TYR 24 Ca 0.16 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2k3d h TYR 24 Cb 0.21 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2k3d h TYR 24 CO 0.01 0.34 0.22 -0.07 -1.64 0.00 0.00 178.16 177.01 2k3d h LEU 25 N 0.28 1.04 -0.41 2.82 3.38 -0.78 -1.45 115.31 120.18 2k3d h LEU 25 Ca 0.09 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2k3d h LEU 25 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2k3d h LEU 25 CO -0.01 0.97 0.26 0.50 0.09 0.00 0.00 178.44 180.25 2k3d h LYS 26 N 1.05 0.51 -0.09 1.13 3.64 -0.58 0.32 116.57 122.55 2k3d h LYS 26 Ca 0.23 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 2k3d h LYS 26 Cb 0.31 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2k3d h LYS 26 CO -0.01 0.34 -0.63 0.45 -2.27 0.00 0.00 179.45 177.33 2k3d h HIS 27 N 0.53 0.44 -0.01 1.91 3.86 -1.24 -2.88 115.15 117.77 2k3d h HIS 27 Ca 0.15 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2k3d h HIS 27 Cb -0.04 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.35 2k3d h HIS 27 CO -0.06 0.88 -0.08 0.09 0.86 0.00 0.00 177.93 179.63 2k3d n ASN 28 N -3.88 0.83 -3.65 2.45 3.02 -0.56 -4.62 115.26 108.85 2k3d n ASN 28 Ca -0.03 -1.02 -0.28 0.00 -0.03 0.00 0.00 54.58 53.22 2k3d n ASN 28 Cb 0.64 -0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.65 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 -2.24 0.32 -0.34 2.41 1.01 0.11 -4.13 121.20 118.35 2k3d s ILE 29 Ca 0.35 -0.73 0.27 0.00 0.00 0.00 0.00 60.65 60.53 2k3d s ILE 29 Cb 0.21 -1.07 0.31 0.00 0.01 0.00 0.00 42.46 41.91 2k3d s ILE 29 CO 0.42 -0.48 1.80 1.55 0.00 0.00 0.00 174.94 178.22 2k3d h PRO 30 N 8.29 0.00 -0.43 2.79 0.13 -1.82 -2.54 132.00 138.42 2k3d h PRO 30 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2k3d h PRO 30 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2k3d h PRO 30 CO 0.39 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.91 2k3d n ASP 31 N -2.61 2.66 -4.69 1.44 8.00 -1.26 -4.95 116.55 115.14 2k3d n ASP 31 Ca 0.02 -1.94 -0.44 0.00 0.71 0.00 0.00 54.79 53.14 2k3d n ASP 31 Cb 0.33 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.96 2.41 0.01 1.24 -0.00 -0.96 -4.85 117.46 116.27 2k3d n PHE 32 Ca 0.17 0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.95 2k3d n PHE 32 Cb 0.44 -2.53 0.00 0.00 -0.00 0.00 0.00 39.48 37.40 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 2.54 0.01 -3.79 -2.13 5.15 -1.26 -5.10 115.26 110.68 2k3d n ASN 33 Ca 0.12 0.05 -0.11 0.00 -0.60 0.00 0.00 54.58 54.04 2k3d n ASN 33 Cb 0.33 0.03 -0.07 0.00 -0.53 0.00 0.00 39.78 39.53 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 -2.00 0.10 0.00 -0.44 -1.32 -1.26 -5.01 115.64 105.71 2k3d s THR 34 Ca 0.00 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 2k3d s THR 34 Cb 0.00 -1.02 -0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2k3d s THR 34 CO 0.00 -0.46 -0.00 0.54 -2.21 0.00 0.00 174.62 172.49 2k3d s VAL 35 N -2.87 0.03 -0.15 5.08 0.11 -1.26 -2.28 120.40 119.05 2k3d s VAL 35 Ca -0.03 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2k3d s VAL 35 Cb 0.00 -0.05 0.03 0.00 -1.53 0.00 0.00 36.38 34.84 2k3d s VAL 35 CO -0.05 -0.04 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.68 2k3d s THR 36 N -0.13 1.41 -0.20 5.04 2.01 0.12 -4.96 115.64 118.93 2k3d s THR 36 Ca -0.01 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 2k3d s THR 36 Cb -0.01 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2k3d s THR 36 CO -0.00 0.35 0.33 -0.36 -0.69 0.00 0.00 174.62 174.26 2k3d s PHE 37 N 1.54 3.39 -0.34 4.92 0.08 -1.26 -1.06 117.98 125.24 2k3d s PHE 37 Ca 0.03 0.55 0.22 0.00 0.12 0.00 0.00 56.93 57.86 2k3d s PHE 37 Cb -0.14 -2.44 -0.19 0.00 -0.57 0.00 0.00 43.02 39.69 2k3d s PHE 37 CO -0.09 0.07 0.74 0.25 -0.10 0.00 0.00 175.22 176.09 2k3d n THR 38 N 4.13 0.12 -2.83 0.64 -2.24 0.25 -4.94 114.28 109.41 2k3d n THR 38 Ca -0.10 -0.37 -0.22 0.00 -2.27 0.00 0.00 64.05 61.09 2k3d n THR 38 Cb 0.51 0.16 0.02 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.13 -6.08 -4.65 3.42 5.03 -1.06 -4.91 115.26 104.88 2k3d n ASN 39 Ca -0.01 -0.20 -0.24 0.00 0.87 0.00 0.00 54.58 55.00 2k3d n ASN 39 Cb 0.50 -4.95 0.12 0.00 -1.02 0.00 0.00 39.78 34.42 2k3d n ASN 39 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k3d s GLU 40 N -5.51 1.55 0.59 3.52 2.02 -1.26 -4.81 118.70 114.80 2k3d s GLU 40 Ca 0.21 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2k3d s GLU 40 Cb -0.09 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.80 2k3d s GLU 40 CO 0.26 -1.54 0.00 -1.91 0.02 0.00 0.00 175.26 172.09 2k3d n GLU 41 N -2.87 -4.00 -3.45 1.61 2.13 -1.26 -3.89 120.64 108.91 2k3d n GLU 41 Ca 0.17 3.12 -0.04 0.00 0.66 0.00 0.00 57.16 61.07 2k3d n GLU 41 Cb 0.61 -3.96 -0.06 0.00 0.27 0.00 0.00 31.44 28.30 2k3d n GLU 41 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2k3d s PHE 42 N -5.33 -1.11 0.15 4.31 2.19 -1.26 -4.19 117.98 112.73 2k3d s PHE 42 Ca 0.00 1.54 -0.11 0.00 0.33 0.00 0.00 56.93 58.69 2k3d s PHE 42 Cb 0.00 0.39 -0.07 0.00 -1.31 0.00 0.00 43.02 42.03 2k3d s PHE 42 CO 0.00 -0.68 0.49 -0.80 1.83 0.00 0.00 175.22 176.06 2k3d s ASN 43 N 2.71 6.69 0.54 6.13 0.02 -1.26 -4.91 114.94 124.87 2k3d s ASN 43 Ca 0.07 0.92 0.32 0.00 -1.02 0.00 0.00 52.86 53.15 2k3d s ASN 43 Cb -0.14 -2.23 1.44 0.00 0.02 0.00 0.00 41.25 40.35 2k3d s ASN 43 CO -0.17 0.07 2.02 1.55 0.02 0.00 0.00 177.10 180.60 2k3d h PRO 44 N 3.28 0.00 0.00 -0.60 0.13 -2.01 -2.55 132.00 130.25 2k3d h PRO 44 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k3d h PRO 44 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k3d h PRO 44 CO 0.67 0.06 0.00 1.51 -0.23 0.00 0.00 178.00 180.01 2k3d n ILE 45 N -3.23 0.15 0.00 -3.56 3.06 -1.26 -4.95 119.36 109.57 2k3d n ILE 45 Ca -0.00 0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 2k3d n ILE 45 Cb 0.29 -0.62 0.00 0.00 0.54 0.00 0.00 39.64 39.85 2k3d n ILE 45 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k3d n GLY 46 N 0.80 -0.51 3.11 4.50 0.00 -0.96 -5.01 105.19 107.12 2k3d n GLY 46 Ca 0.14 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 1.10 -0.12 -0.61 -4.36 -1.26 -4.31 121.20 111.64 2k3d s ILE 47 Ca 0.00 -0.65 0.01 0.00 -0.26 0.00 0.00 60.65 59.75 2k3d s ILE 47 Cb 0.00 -0.93 -0.01 0.00 1.25 0.00 0.00 42.46 42.77 2k3d s ILE 47 CO 0.00 0.27 -0.17 -0.55 0.24 0.00 0.00 174.94 174.74 2k3d s SER 48 N -0.43 3.72 -0.15 4.36 0.15 -1.26 -0.60 113.70 119.49 2k3d s SER 48 Ca 0.05 -0.40 -0.00 0.00 0.70 0.00 0.00 55.95 56.30 2k3d s SER 48 Cb -0.06 -1.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.70 2k3d s SER 48 CO -0.00 0.16 -0.13 -0.63 1.20 0.00 0.00 173.24 173.84 2k3d s ILE 49 N 0.34 2.91 0.10 6.45 1.01 -0.15 -4.46 121.20 127.40 2k3d s ILE 49 Ca -0.14 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 59.89 2k3d s ILE 49 Cb -0.17 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2k3d s ILE 49 CO 0.07 0.51 -0.13 -1.81 0.00 0.00 0.00 174.94 173.58 2k3d s ASP 50 N 0.64 4.21 0.05 3.58 1.01 -1.25 -1.73 116.67 123.17 2k3d s ASP 50 Ca -0.07 -0.43 -0.26 0.00 0.71 0.00 0.00 52.55 52.49 2k3d s ASP 50 Cb -0.16 -0.74 0.09 0.00 1.01 0.00 0.00 42.92 43.12 2k3d s ASP 50 CO 0.03 0.19 1.21 -0.83 0.21 0.00 0.00 175.17 175.97 2k3d s GLY 51 N -2.11 -0.03 0.16 0.21 0.00 -0.96 0.85 107.32 105.43 2k3d s GLY 51 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.75 2k3d s GLY 51 CO 0.12 4.86 0.16 -2.52 0.00 0.00 0.00 173.10 175.73 2k3d s TYR 52 N -2.03 0.71 0.30 1.90 1.13 -0.22 -0.39 117.35 118.74 2k3d s TYR 52 Ca 0.28 -1.06 0.11 0.00 -1.41 0.00 0.00 57.07 54.98 2k3d s TYR 52 Cb -0.01 -0.31 -0.06 0.00 -1.10 0.00 0.00 41.96 40.48 2k3d s TYR 52 CO 0.01 -0.63 -0.15 0.96 -2.51 0.00 0.00 175.55 173.24 2k3d s ILE 53 N -4.03 2.32 -1.52 -3.49 -4.36 -0.96 -0.71 121.20 108.45 2k3d s ILE 53 Ca 0.23 -2.30 -0.04 0.00 -0.26 0.00 0.00 60.65 58.28 2k3d s ILE 53 Cb 0.06 -2.44 0.01 0.00 1.25 0.00 0.00 42.46 41.34 2k3d s ILE 53 CO 0.03 -0.32 0.40 0.59 0.24 0.00 0.00 174.94 175.88 2k3d n ASN 54 N -0.68 -5.52 -2.37 4.36 3.02 -0.97 -1.65 115.26 111.45 2k3d n ASN 54 Ca -0.05 -0.20 -0.05 0.00 -0.03 0.00 0.00 54.58 54.25 2k3d n ASN 54 Cb 0.62 -4.52 -0.00 0.00 -0.61 0.00 0.00 39.78 35.26 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 -2.07 -4.30 6.41 3.02 -1.26 -4.88 115.26 109.86 2k3d n ASN 55 Ca -0.13 0.36 -0.37 0.00 -0.03 0.00 0.00 54.58 54.40 2k3d n ASN 55 Cb 0.62 -1.88 -0.13 0.00 -0.61 0.00 0.00 39.78 37.79 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 -1.97 5.20 0.42 6.41 2.15 -0.66 -4.97 116.67 123.26 2k3d s ASP 56 Ca 0.00 -0.93 0.10 0.00 0.43 0.00 0.00 52.55 52.15 2k3d s ASP 56 Cb 0.00 -1.87 0.93 0.00 -0.30 0.00 0.00 42.92 41.68 2k3d s ASP 56 CO 0.00 -0.26 2.01 0.11 -0.17 0.00 0.00 175.17 176.86 2k3d h LYS 57 N 8.22 0.49 -0.71 4.34 1.57 -1.89 -1.34 116.57 127.25 2k3d h LYS 57 Ca -0.27 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2k3d h LYS 57 Cb 1.10 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2k3d h LYS 57 CO 0.60 0.33 0.27 -0.91 -0.57 0.00 0.00 179.45 179.17 2k3d h ASN 58 N 0.51 0.97 -0.85 0.86 2.35 -1.94 -3.29 115.58 114.19 2k3d h ASN 58 Ca 0.23 -0.15 -0.71 0.00 -0.55 0.00 0.00 56.30 55.13 2k3d h ASN 58 Cb 0.26 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.29 2k3d h ASN 58 CO -0.06 0.87 2.35 0.18 -1.65 0.00 0.00 177.43 179.12 2k3d n LEU 59 N -4.29 5.76 -4.91 1.61 4.77 -0.50 -4.72 117.00 114.72 2k3d n LEU 59 Ca 0.06 -4.15 -0.21 0.00 -0.03 0.00 0.00 56.01 51.68 2k3d n LEU 59 Cb 0.18 -1.67 -0.03 0.00 -2.33 0.00 0.00 43.42 39.57 2k3d n LEU 59 CO 0.40 0.67 -0.09 -0.44 -1.33 0.00 0.00 177.39 176.60 2k3d s SER 60 N 3.33 5.96 0.04 -1.43 0.01 -1.24 -2.26 113.70 118.11 2k3d s SER 60 Ca 0.49 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.55 2k3d s SER 60 Cb 0.07 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.68 2k3d s SER 60 CO 0.01 -0.08 0.24 0.72 0.41 0.00 0.00 173.24 174.54 2k3d s PHE 61 N -2.06 -0.02 -0.03 2.43 -0.12 0.47 -4.12 117.98 114.54 2k3d s PHE 61 Ca 0.34 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 57.07 2k3d s PHE 61 Cb -0.08 0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.34 2k3d s PHE 61 CO 0.27 -0.47 -0.05 0.99 -0.05 0.00 0.00 175.22 175.91 2k3d s THR 62 N -2.59 0.52 -0.02 -4.49 2.01 -0.98 -2.28 115.64 107.82 2k3d s THR 62 Ca -0.05 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.81 2k3d s THR 62 Cb -0.01 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 2k3d s THR 62 CO -0.04 0.19 -0.13 0.00 -0.69 0.00 0.00 174.62 173.96 2k3d s ALA 63 N 0.48 1.09 -0.14 7.40 0.00 -0.71 -1.46 121.76 128.43 2k3d s ALA 63 Ca -0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 2k3d s ALA 63 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2k3d s ALA 63 CO 0.00 0.23 0.01 0.20 0.00 0.00 0.00 175.76 176.20 2k3d s GLY 64 N -0.11 1.83 0.00 0.00 0.00 0.41 -0.98 107.32 108.46 2k3d s GLY 64 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2k3d s GLY 64 CO 0.00 -0.22 0.00 1.17 0.00 0.00 0.00 173.10 174.05 2k3d n LYS 65 N 3.00 0.00 -1.00 2.90 4.81 0.23 -1.37 118.16 126.72 2k3d n LYS 65 Ca -0.18 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 56.96 2k3d n LYS 65 Cb 0.53 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.55 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 -0.11 5.43 -1.74 3.14 8.00 -1.26 -4.42 116.55 125.59 2k3d n ASP 66 Ca 0.00 -2.47 -0.06 0.00 0.71 0.00 0.00 54.79 52.98 2k3d n ASP 66 Cb 0.00 -1.25 -0.01 0.00 -0.02 0.00 0.00 41.12 39.84 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 4.37 -0.12 -0.20 2.53 0.31 -0.47 -4.74 118.33 120.00 2k3d n VAL 67 Ca 0.54 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.79 2k3d n VAL 67 Cb 0.21 -0.66 0.02 0.00 -0.91 0.00 0.00 33.84 32.50 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 0.89 -4.48 5.55 1.57 -1.45 -3.42 116.57 115.24 2k3d h LYS 68 Ca -0.12 -0.20 -0.52 0.00 -1.87 0.00 0.00 60.65 57.94 2k3d h LYS 68 Cb 0.69 -0.13 -0.34 0.00 0.08 0.00 0.00 32.23 32.53 2k3d h LYS 68 CO 0.17 0.81 -0.81 0.42 -0.57 0.00 0.00 179.45 179.46 2k3d s ILE 69 N -5.40 1.13 0.03 1.86 1.01 -1.23 -4.98 121.20 113.63 2k3d s ILE 69 Ca -0.13 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 2k3d s ILE 69 Cb 0.13 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2k3d s ILE 69 CO 0.80 0.36 -0.03 0.72 0.00 0.00 0.00 174.94 176.80 2k3d s PHE 70 N 0.93 0.35 0.03 3.97 -0.12 -1.26 0.15 117.98 122.03 2k3d s PHE 70 Ca -0.10 -0.71 -0.01 0.00 -0.05 0.00 0.00 56.93 56.06 2k3d s PHE 70 Cb -0.15 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 41.96 2k3d s PHE 70 CO 0.01 -0.25 -0.00 0.45 -0.05 0.00 0.00 175.22 175.37 2k3d s SER 71 N -1.96 0.26 0.04 1.98 0.15 -0.53 -5.01 113.70 108.63 2k3d s SER 71 Ca -0.08 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.00 2k3d s SER 71 Cb -0.04 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 2k3d s SER 71 CO -0.04 -0.39 -0.05 -0.94 1.20 0.00 0.00 173.24 173.03 2k3d s SER 72 N -1.80 0.57 0.74 5.45 1.04 -1.26 -2.33 113.70 116.11 2k3d s SER 72 Ca -0.10 -0.71 -0.09 0.00 0.48 0.00 0.00 55.95 55.53 2k3d s SER 72 Cb -0.05 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.23 2k3d s SER 72 CO -0.03 -0.38 1.08 -0.94 0.98 0.00 0.00 173.24 173.96 2k3d s SER 73 N -2.07 4.83 0.42 7.02 1.04 -1.26 -4.89 113.70 118.79 2k3d s SER 73 Ca -0.05 0.69 0.15 0.00 0.48 0.00 0.00 55.95 57.22 2k3d s SER 73 Cb -0.03 -1.32 0.91 0.00 0.10 0.00 0.00 66.02 65.67 2k3d s SER 73 CO -0.03 -1.65 1.92 -0.33 0.98 0.00 0.00 173.24 174.13 2k3d h GLU 74 N -0.76 0.00 0.01 4.02 3.07 -1.96 -1.09 114.58 117.87 2k3d h GLU 74 Ca -0.45 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2k3d h GLU 74 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2k3d h GLU 74 CO 0.63 0.26 -0.01 0.93 -1.40 0.00 0.00 179.01 179.43 2k3d h GLU 75 N 0.00 -0.02 0.00 2.33 4.39 -1.93 -3.16 114.58 116.20 2k3d h GLU 75 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k3d h GLU 75 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2k3d h GLU 75 CO 0.03 0.66 0.00 1.25 -1.16 0.00 0.00 179.01 179.79 2k3d h LEU 76 N -0.71 0.00 -1.31 1.33 5.85 -1.81 -2.50 115.31 116.15 2k3d h LEU 76 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2k3d h LEU 76 Cb 0.68 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2k3d h LEU 76 CO 0.00 0.00 -0.05 0.44 -0.34 0.00 0.00 178.44 178.49 2k3d h ASP 77 N 0.00 0.37 -0.46 1.25 3.32 -1.16 -2.02 116.42 117.71 2k3d h ASP 77 Ca 0.00 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 2k3d h ASP 77 Cb 0.31 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2k3d h ASP 77 CO 0.00 0.48 0.14 0.07 -1.72 0.00 0.00 179.24 178.21 2k3d h LYS 78 N 0.38 0.72 -0.40 3.56 2.10 -1.52 -2.81 116.57 118.60 2k3d h LYS 78 Ca 0.08 -0.16 -0.13 0.00 -2.00 0.00 0.00 60.65 58.45 2k3d h LYS 78 Cb 0.34 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2k3d h LYS 78 CO 0.01 0.69 -0.27 0.52 -2.00 0.00 0.00 179.45 178.41 2k3d h MET 79 N 0.62 0.83 -6.41 0.07 2.86 -1.64 -3.42 114.93 107.84 2k3d h MET 79 Ca 0.15 -0.37 -0.54 0.00 -2.06 0.00 0.00 59.70 56.88 2k3d h MET 79 Cb 0.27 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.92 2k3d h MET 79 CO -0.00 1.00 0.98 0.12 1.06 0.00 0.00 176.91 180.06 2k3d s PHE 80 N -4.55 2.45 0.00 -0.22 5.36 -0.78 -4.80 117.98 115.44 2k3d s PHE 80 Ca -0.10 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.28 2k3d s PHE 80 Cb 0.12 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 2k3d s PHE 80 CO 0.85 -3.57 0.00 1.04 -1.46 0.00 0.00 175.22 172.08 2k3d n GLN 81 N 5.75 0.00 -3.58 10.12 6.02 -1.26 -4.90 117.38 129.53 2k3d n GLN 81 Ca 0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.74 2k3d n GLN 81 Cb 0.41 -0.37 -0.11 0.00 1.02 0.00 0.00 30.24 31.19 2k3d n GLN 81 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k3d s GLU 82 N 0.00 3.21 0.54 -1.09 2.56 -1.26 -5.06 118.70 117.59 2k3d s GLU 82 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 54.97 53.95 2k3d s GLU 82 Cb 0.00 -3.74 -0.09 0.00 2.00 0.00 0.00 34.13 32.30 2k3d s GLU 82 CO 0.00 -0.54 0.55 -2.30 -0.56 0.00 0.00 175.26 172.41 2k3d n PRO 83 N 5.05 0.57 -2.16 4.30 -0.02 -1.26 -4.90 135.00 136.58 2k3d n PRO 83 Ca -0.13 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 2k3d n PRO 83 Cb 0.48 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 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 -2.00 3.96 0.00 -0.52 1.81 -1.26 -4.93 118.95 116.01 2k3d s ARG 84 Ca 0.68 2.00 0.00 0.00 -1.72 0.00 0.00 55.73 56.69 2k3d s ARG 84 Cb -0.47 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 2k3d s ARG 84 CO 0.55 -0.45 0.00 1.63 -0.68 0.00 0.00 175.30 176.35 2k3d n LYS 85 N 0.03 0.00 0.00 3.54 5.02 -1.26 -5.18 118.16 120.30 2k3d n LYS 85 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2k3d n LYS 85 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 2k3d n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3d n GLY 86 N 1.12 3.11 0.20 0.72 0.00 -1.26 -4.89 105.19 104.20 2k3d n GLY 86 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2k3d n GLY 86 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k3d h TYR 87 N 0.00 0.64 -0.27 1.61 3.20 -1.95 -2.48 116.97 117.71 2k3d h TYR 87 Ca 0.00 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 2k3d h TYR 87 Cb 0.00 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2k3d h TYR 87 CO 0.00 0.54 -0.22 0.22 -1.64 0.00 0.00 178.16 177.05 2k3d h ASP 88 N 0.56 0.50 -0.35 -2.11 3.58 -2.00 -2.78 116.42 113.82 2k3d h ASP 88 Ca 0.15 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2k3d h ASP 88 Cb 0.15 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2k3d h ASP 88 CO -0.02 0.73 0.03 -0.33 -2.88 0.00 0.00 179.24 176.77 2k3d h GLU 89 N 0.45 0.60 -0.54 0.28 3.07 -1.83 -2.42 114.58 114.19 2k3d h GLU 89 Ca 0.07 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 2k3d h GLU 89 Cb 0.63 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 2k3d h GLU 89 CO 0.05 0.69 -0.04 -0.84 -1.40 0.00 0.00 179.01 177.47 2k3d h ILE 90 N 0.43 1.26 -0.74 3.13 3.07 -1.40 -2.09 117.51 121.17 2k3d h ILE 90 Ca 0.10 -1.15 -0.05 0.00 1.55 0.00 0.00 64.86 65.31 2k3d h ILE 90 Cb 0.40 0.88 -0.03 0.00 -0.27 0.00 0.00 36.82 37.80 2k3d h ILE 90 CO 0.01 0.41 0.26 -0.07 -1.05 0.00 0.00 178.15 177.71 2k3d h LEU 91 N 0.87 1.05 -0.73 0.16 3.38 -1.40 -2.65 115.31 115.99 2k3d h LEU 91 Ca 0.15 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2k3d h LEU 91 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k3d h LEU 91 CO 0.03 0.96 -0.24 -0.33 0.09 0.00 0.00 178.44 178.96 2k3d h GLU 92 N 1.09 0.72 -5.68 1.13 5.08 -1.24 -3.25 114.58 112.43 2k3d h GLU 92 Ca 0.24 -0.29 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 2k3d h GLU 92 Cb 0.26 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2k3d h GLU 92 CO -0.01 0.89 0.85 -1.58 -1.00 0.00 0.00 179.01 178.16 2k3d s HIS 93 N -4.57 1.88 -0.04 4.33 2.46 -0.80 -4.44 115.29 114.11 2k3d s HIS 93 Ca -0.09 0.51 -0.04 0.00 0.47 0.00 0.00 55.06 55.91 2k3d s HIS 93 Cb 0.13 -4.07 0.01 0.00 -0.13 0.00 0.00 32.58 28.52 2k3d s HIS 93 CO 0.83 -1.64 0.06 1.58 -2.47 0.00 0.00 174.74 173.11 2k3d n HIS 94 N 13.78 -0.26 0.00 3.88 -0.00 -1.26 -4.90 115.22 126.47 2k3d n HIS 94 Ca 0.41 0.11 -0.09 0.00 0.46 0.00 0.00 57.72 58.61 2k3d n HIS 94 Cb 0.47 -0.86 -0.07 0.00 -0.12 0.00 0.00 29.99 29.41 2k3d n HIS 94 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2k3d h HIS 95 N 2.88 -0.12 0.00 1.57 2.07 -1.77 -3.49 115.15 116.30 2k3d h HIS 95 Ca -0.06 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 2k3d h HIS 95 Cb 0.83 0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.85 2k3d h HIS 95 CO 0.00 0.35 0.00 1.58 -3.07 0.00 0.00 177.93 176.79 2k3d n HIS 96 N -4.82 -3.52 -0.57 6.12 -0.00 -1.26 -4.99 115.22 106.18 2k3d n HIS 96 Ca -0.06 0.82 -0.01 0.00 -0.00 0.00 0.00 57.72 58.46 2k3d n HIS 96 Cb 0.25 2.26 -0.00 0.00 -0.00 0.00 0.00 29.99 32.50 2k3d n HIS 96 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k3d n HIS 97 N -2.96 -0.05 -0.31 1.57 -0.00 -1.26 -5.28 115.22 106.93 2k3d n HIS 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2k3d n HIS 97 Cb 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.66 2k3d n HIS 97 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92