#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kif h MET 15 N 0.00 0.05 0.00 5.87 4.05 -2.03 -3.15 114.93 119.72 3kif h MET 15 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3kif h MET 15 Cb 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 3kif h MET 15 CO 0.00 0.21 0.00 0.41 0.23 0.00 0.00 176.91 177.76 3kif n GLY 16 N -1.02 -2.77 0.27 1.39 0.00 -1.26 -2.30 105.19 99.50 3kif n GLY 16 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3kif n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kif n ARG 17 N -2.50 0.97 -4.07 1.61 1.85 -1.19 -4.95 116.66 108.37 3kif n ARG 17 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 3kif n ARG 17 Cb 0.00 -1.26 -0.08 0.00 -1.05 0.00 0.00 32.46 30.07 3kif n ARG 17 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kif s ALA 18 N -1.45 3.60 0.27 2.89 0.00 -0.97 -5.06 121.76 121.03 3kif s ALA 18 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 3kif s ALA 18 Cb 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 3kif s ALA 18 CO 0.00 0.54 1.26 0.21 0.00 0.00 0.00 175.76 177.77 3kif s LYS 19 N -0.77 4.43 -0.09 0.00 2.47 -1.26 -4.97 119.74 119.55 3kif s LYS 19 Ca 0.13 2.06 -0.17 0.00 -1.56 0.00 0.00 55.97 56.43 3kif s LYS 19 Cb -0.12 -3.15 -0.05 0.00 -1.46 0.00 0.00 37.83 33.06 3kif s LYS 19 CO 0.03 -0.12 0.45 -2.00 0.16 0.00 0.00 175.35 173.86 3kif s GLU 20 N -1.06 4.25 0.00 4.03 2.12 -1.26 -4.92 118.70 121.86 3kif s GLU 20 Ca 0.51 0.42 0.00 0.00 0.36 0.00 0.00 54.97 56.26 3kif s GLU 20 Cb -0.37 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.63 3kif s GLU 20 CO 0.45 0.28 0.16 0.44 -0.54 0.00 0.00 175.26 176.04 3kif n ILE 21 N 3.26 0.00 -3.49 -3.70 -5.35 -1.26 -4.14 119.36 104.68 3kif n ILE 21 Ca -0.09 -0.33 -0.11 0.00 -0.27 0.00 0.00 62.75 61.94 3kif n ILE 21 Cb 0.52 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.55 3kif n ILE 21 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kif s GLY 22 N -0.35 -0.54 0.00 3.28 0.00 -1.26 -3.81 107.32 104.63 3kif s GLY 22 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.11 3kif s GLY 22 CO 0.00 0.13 0.00 -2.01 0.00 0.00 0.00 173.10 171.22 3kif n ASN 23 N -0.39 0.00 -4.81 1.64 2.85 -1.26 -4.94 115.26 108.34 3kif n ASN 23 Ca -0.15 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.01 3kif n ASN 23 Cb 0.64 -0.03 0.04 0.00 1.24 0.00 0.00 39.78 41.68 3kif n ASN 23 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3kif s GLY 24 N -2.90 1.78 0.00 8.20 0.00 -1.26 -4.33 107.32 108.82 3kif s GLY 24 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.89 3kif s GLY 24 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.19 3kif n GLY 25 N -1.72 2.53 0.21 0.20 0.00 -1.26 -4.86 105.19 100.29 3kif n GLY 25 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3kif n GLY 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kif h TRP 26 N 0.00 0.00 -0.00 1.61 4.06 -1.97 -1.16 115.95 118.48 3kif h TRP 26 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3kif h TRP 26 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3kif h TRP 26 CO 0.00 0.27 -0.02 -0.40 -3.56 0.00 0.00 178.44 174.73 3kif n ASP 27 N -3.42 0.24 -1.04 -3.49 3.85 -1.26 -3.66 116.55 107.77 3kif n ASP 27 Ca 0.00 -0.82 0.10 0.00 -0.71 0.00 0.00 54.79 53.36 3kif n ASP 27 Cb 0.46 -0.07 0.22 0.00 -1.35 0.00 0.00 41.12 40.38 3kif n ASP 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kif n GLN 28 N -0.92 2.46 -2.96 0.11 6.02 -0.44 -4.90 117.38 116.76 3kif n GLN 28 Ca 0.20 -2.24 -0.36 0.00 -0.01 0.00 0.00 57.00 54.58 3kif n GLN 28 Cb 0.19 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 3kif n GLN 28 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kif s PHE 29 N -1.21 3.67 -0.16 1.08 0.08 -1.24 -4.83 117.98 115.36 3kif s PHE 29 Ca 0.36 1.56 -0.20 0.00 0.12 0.00 0.00 56.93 58.77 3kif s PHE 29 Cb 0.20 -2.75 -0.17 0.00 -0.57 0.00 0.00 43.02 39.73 3kif s PHE 29 CO 0.27 0.28 0.35 0.37 -0.10 0.00 0.00 175.22 176.39 3kif h GLN 30 N 3.30 0.00 -5.81 0.44 4.15 -1.49 -3.46 115.11 112.24 3kif h GLN 30 Ca -0.47 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.40 3kif h GLN 30 Cb 1.19 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.74 3kif h GLN 30 CO 0.65 0.76 -0.71 -0.06 -1.93 0.00 0.00 178.83 177.54 3kif s PHE 31 N -2.19 2.10 -0.29 3.99 0.08 -1.25 -4.99 117.98 115.41 3kif s PHE 31 Ca -0.20 -0.53 -0.03 0.00 0.12 0.00 0.00 56.93 56.29 3kif s PHE 31 Cb 0.01 -1.08 0.17 0.00 -0.57 0.00 0.00 43.02 41.56 3kif s PHE 31 CO 0.51 0.48 0.59 -1.17 -0.10 0.00 0.00 175.22 175.54 3kif s LEU 32 N -3.47 -1.28 0.12 -0.37 2.96 -1.25 -2.41 118.68 112.98 3kif s LEU 32 Ca 0.29 0.98 -0.25 0.00 -0.22 0.00 0.00 54.13 54.93 3kif s LEU 32 Cb 0.00 2.11 0.08 0.00 0.50 0.00 0.00 46.19 48.89 3kif s LEU 32 CO 0.13 -0.25 1.09 0.72 -1.32 0.00 0.00 176.35 176.71 3kif s PHE 33 N 2.84 0.01 0.09 5.38 -0.71 -0.26 -4.99 117.98 120.34 3kif s PHE 33 Ca 0.15 -0.31 0.08 0.00 -1.04 0.00 0.00 56.93 55.81 3kif s PHE 33 Cb -0.14 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 3kif s PHE 33 CO -0.20 -0.72 -0.18 -0.06 -1.34 0.00 0.00 175.22 172.71 3kif s PHE 34 N -2.42 2.55 0.70 3.49 0.08 -1.26 0.49 117.98 121.60 3kif s PHE 34 Ca 0.20 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 3kif s PHE 34 Cb -0.01 -1.38 0.09 0.00 -0.57 0.00 0.00 43.02 41.15 3kif s PHE 34 CO 0.03 0.35 0.98 0.16 -0.10 0.00 0.00 175.22 176.63 3kif s ASP 35 N -1.92 4.59 0.61 1.36 1.47 -0.84 -4.64 116.67 117.30 3kif s ASP 35 Ca 0.17 0.06 0.34 0.00 1.18 0.00 0.00 52.55 54.30 3kif s ASP 35 Cb -0.11 -0.61 1.97 0.00 -0.34 0.00 0.00 42.92 43.83 3kif s ASP 35 CO 0.09 -1.70 2.27 -0.65 0.68 0.00 0.00 175.17 175.86 3kif h PRO 36 N -0.53 0.00 -0.01 2.11 0.11 -1.87 -1.94 132.00 129.88 3kif h PRO 36 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kif h PRO 36 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kif h PRO 36 CO 0.49 0.01 -0.06 0.09 -0.21 0.00 0.00 178.00 178.33 3kif n ASN 37 N -3.59 0.79 0.00 -2.05 5.03 -1.26 -4.92 115.26 109.27 3kif n ASN 37 Ca -0.03 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.39 3kif n ASN 37 Cb 0.10 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 3kif n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kif n GLY 38 N 1.18 0.50 3.79 7.41 0.00 -0.73 -5.04 105.19 112.30 3kif n GLY 38 Ca 0.18 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3kif n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kif s TYR 39 N -2.00 3.21 0.02 1.61 2.02 -1.26 -4.33 117.35 116.63 3kif s TYR 39 Ca 0.00 1.63 -0.16 0.00 -0.37 0.00 0.00 57.07 58.17 3kif s TYR 39 Cb 0.00 -3.12 -0.06 0.00 -0.40 0.00 0.00 41.96 38.38 3kif s TYR 39 CO 0.00 -0.67 0.46 -1.17 -1.57 0.00 0.00 175.55 172.60 3kif s LEU 40 N -2.81 4.49 -0.02 -1.29 2.96 -0.33 -1.98 118.68 119.70 3kif s LEU 40 Ca 0.60 1.06 0.07 0.00 -0.22 0.00 0.00 54.13 55.63 3kif s LEU 40 Cb -0.21 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 3kif s LEU 40 CO 0.26 0.31 -0.23 -0.31 -1.32 0.00 0.00 176.35 175.06 3kif s TYR 41 N -1.07 2.08 -0.13 5.38 1.51 0.18 -2.24 117.35 123.06 3kif s TYR 41 Ca 0.25 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.80 3kif s TYR 41 Cb -0.18 -1.34 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 3kif s TYR 41 CO 0.15 -0.05 0.34 0.00 -1.11 0.00 0.00 175.55 174.88 3kif s ALA 42 N -0.51 -0.83 -0.20 3.71 0.00 -0.79 -1.11 121.76 122.04 3kif s ALA 42 Ca 0.08 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 3kif s ALA 42 Cb -0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3kif s ALA 42 CO -0.01 -0.19 0.02 0.08 0.00 0.00 0.00 175.76 175.66 3kif s VAL 43 N 0.61 4.17 -0.09 0.00 1.01 -1.01 0.13 120.40 125.22 3kif s VAL 43 Ca -0.04 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 3kif s VAL 43 Cb -0.05 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.51 3kif s VAL 43 CO -0.04 0.43 0.62 -0.55 0.00 0.00 0.00 175.10 175.56 3kif s SER 44 N 0.87 -0.59 -1.46 3.32 0.15 -0.81 -1.18 113.70 114.00 3kif s SER 44 Ca 0.02 0.77 -0.14 0.00 0.70 0.00 0.00 55.95 57.29 3kif s SER 44 Cb -0.14 0.70 0.12 0.00 -1.71 0.00 0.00 66.02 64.99 3kif s SER 44 CO 0.02 -0.49 0.63 0.59 1.20 0.00 0.00 173.24 175.19 3kif n ASN 45 N 1.42 -3.34 0.00 5.45 3.02 -1.26 -0.82 115.26 119.72 3kif n ASN 45 Ca -0.18 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3kif n ASN 45 Cb 0.56 -2.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.97 3kif n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kif n ASP 46 N -2.44 -2.14 -4.45 6.41 2.03 -1.26 -5.01 116.55 109.68 3kif n ASP 46 Ca 0.04 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.10 3kif n ASP 46 Cb 0.51 -0.36 -0.11 0.00 -0.72 0.00 0.00 41.12 40.45 3kif n ASP 46 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kif s LYS 47 N -0.03 1.62 -0.20 -0.67 1.02 -0.00 -0.69 119.74 120.79 3kif s LYS 47 Ca 0.00 -1.69 -0.03 0.00 0.02 0.00 0.00 55.97 54.27 3kif s LYS 47 Cb 0.00 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 3kif s LYS 47 CO 0.00 0.35 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.55 3kif s LEU 48 N -3.23 2.88 0.03 3.17 2.96 -0.38 -1.92 118.68 122.18 3kif s LEU 48 Ca 0.27 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3kif s LEU 48 Cb -0.06 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3kif s LEU 48 CO 0.13 0.03 0.01 -0.31 -1.32 0.00 0.00 176.35 174.89 3kif s TYR 49 N 1.18 3.07 -0.05 5.38 2.02 0.35 -1.20 117.35 128.09 3kif s TYR 49 Ca 0.02 0.05 -0.00 0.00 -0.37 0.00 0.00 57.07 56.77 3kif s TYR 49 Cb -0.14 -1.63 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3kif s TYR 49 CO -0.01 0.47 -0.02 0.21 -1.57 0.00 0.00 175.55 174.63 3kif s LYS 50 N -1.85 0.64 0.17 -0.62 2.20 0.06 -1.88 119.74 118.46 3kif s LYS 50 Ca 0.22 0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.65 3kif s LYS 50 Cb -0.12 -0.84 0.05 0.00 -1.51 0.00 0.00 37.83 35.42 3kif s LYS 50 CO 0.14 -0.19 0.55 0.00 -0.36 0.00 0.00 175.35 175.49 3kif s ALA 51 N 1.39 -1.28 0.73 3.13 0.00 -0.95 -1.64 121.76 123.14 3kif s ALA 51 Ca -0.04 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 3kif s ALA 51 Cb -0.13 0.84 0.04 0.00 0.00 0.00 0.00 23.12 23.86 3kif s ALA 51 CO -0.03 -0.78 1.16 -1.54 0.00 0.00 0.00 175.76 174.58 3kif s SER 52 N -2.80 4.39 0.84 0.00 1.04 -1.26 -1.19 113.70 114.72 3kif s SER 52 Ca 0.04 2.18 -0.11 0.00 0.48 0.00 0.00 55.95 58.54 3kif s SER 52 Cb -0.01 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.64 3kif s SER 52 CO -0.09 -2.12 1.10 -2.16 0.98 0.00 0.00 173.24 170.95 3kif s PRO 53 N -4.13 1.65 0.51 4.02 0.04 -1.26 -4.71 135.00 131.12 3kif s PRO 53 Ca 0.70 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 3kif s PRO 53 Cb -0.25 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 3kif s PRO 53 CO 0.46 -2.07 0.98 -1.25 0.04 0.00 0.00 177.00 175.15 3kif s PRO 54 N -4.83 3.95 -0.00 0.56 0.04 -1.26 -4.96 135.00 128.49 3kif s PRO 54 Ca 0.63 0.94 0.12 0.00 0.04 0.00 0.00 61.00 62.73 3kif s PRO 54 Cb -0.19 -2.15 -0.14 0.00 0.04 0.00 0.00 34.50 32.06 3kif s PRO 54 CO 0.57 -0.25 0.46 1.04 0.04 0.00 0.00 177.00 178.86 3kif n GLN 55 N -1.54 2.44 -3.78 4.56 3.00 -1.26 -4.92 117.38 115.88 3kif n GLN 55 Ca 0.06 -0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.99 3kif n GLN 55 Cb 0.54 -1.12 -0.01 0.00 0.00 0.00 0.00 30.24 29.65 3kif n GLN 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 3kif s SER 56 N -2.42 -0.16 0.60 1.08 1.04 -1.26 -4.77 113.70 107.81 3kif s SER 56 Ca 0.03 -0.48 0.27 0.00 0.48 0.00 0.00 55.95 56.24 3kif s SER 56 Cb 0.09 0.53 1.46 0.00 0.10 0.00 0.00 66.02 68.19 3kif s SER 56 CO 0.50 -0.99 1.80 0.44 0.98 0.00 0.00 173.24 175.97 3kif h ASP 57 N 2.00 0.00 -0.02 7.02 3.45 -1.72 -1.77 116.42 125.38 3kif h ASP 57 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 3kif h ASP 57 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3kif h ASP 57 CO 0.26 0.00 0.00 0.35 -1.57 0.00 0.00 179.24 178.28 3kif n THR 58 N -2.72 0.01 -3.23 0.35 -2.24 -1.26 -4.68 114.28 100.51 3kif n THR 58 Ca -0.02 -0.17 -0.44 0.00 -2.27 0.00 0.00 64.05 61.16 3kif n THR 58 Cb 0.36 0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 3kif n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kif s ASP 59 N -1.96 6.21 -1.18 3.42 -1.08 -0.67 -4.96 116.67 116.46 3kif s ASP 59 Ca 0.41 -0.89 -0.20 0.00 -0.52 0.00 0.00 52.55 51.35 3kif s ASP 59 Cb 0.21 -2.26 0.04 0.00 -1.46 0.00 0.00 42.92 39.45 3kif s ASP 59 CO 0.34 -0.78 1.67 0.21 0.52 0.00 0.00 175.17 177.14 3kif s ASN 60 N 2.43 6.49 0.13 -0.34 3.84 -1.26 -4.76 114.94 121.48 3kif s ASN 60 Ca 0.13 -1.97 -0.30 0.00 0.21 0.00 0.00 52.86 50.93 3kif s ASN 60 Cb -0.19 -2.58 -0.07 0.00 -0.55 0.00 0.00 41.25 37.86 3kif s ASN 60 CO 0.12 -1.52 1.57 -0.25 -2.79 0.00 0.00 177.10 174.22 3kif h TRP 61 N 8.66 -1.43 -0.58 0.43 7.01 -1.93 -1.22 115.95 126.90 3kif h TRP 61 Ca 0.33 0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.47 3kif h TRP 61 Cb 0.93 0.66 -0.03 0.00 -2.10 0.00 0.00 29.16 28.61 3kif h TRP 61 CO 1.35 -0.49 0.38 0.97 -2.79 0.00 0.00 178.44 177.87 3kif h ILE 62 N -0.45 0.94 -0.09 2.65 6.09 -1.96 0.47 117.51 125.17 3kif h ILE 62 Ca 0.08 -0.16 -0.08 0.00 -1.37 0.00 0.00 64.86 63.33 3kif h ILE 62 Cb 0.63 0.44 -0.01 0.00 0.47 0.00 0.00 36.82 38.34 3kif h ILE 62 CO -0.50 0.09 -0.31 0.00 -3.07 0.00 0.00 178.15 174.36 3kif h ALA 63 N 1.70 1.32 0.00 0.18 0.00 -1.63 -3.10 119.26 117.73 3kif h ALA 63 Ca 0.26 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3kif h ALA 63 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3kif h ALA 63 CO -0.07 0.47 -1.50 2.89 0.00 0.00 0.00 179.25 181.04 3kif n ARG 64 N -4.13 0.63 -0.80 0.00 1.85 -0.46 -4.97 116.66 108.78 3kif n ARG 64 Ca -0.01 0.20 -0.34 0.00 -1.00 0.00 0.00 57.85 56.70 3kif n ARG 64 Cb 0.39 -1.78 0.12 0.00 -1.05 0.00 0.00 32.46 30.13 3kif n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kif n ALA 65 N -2.42 -3.67 -3.19 2.89 0.00 0.03 -4.95 120.51 109.20 3kif n ALA 65 Ca -0.11 -0.87 -0.32 0.00 0.00 0.00 0.00 53.44 52.14 3kif n ALA 65 Cb 0.86 -1.56 -0.17 0.00 0.00 0.00 0.00 19.45 18.58 3kif n ALA 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kif s THR 66 N -2.27 2.07 -0.82 0.00 2.01 -0.65 -4.88 115.64 111.10 3kif s THR 66 Ca 0.53 -1.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 3kif s THR 66 Cb -0.16 -1.79 0.08 0.00 0.01 0.00 0.00 72.50 70.64 3kif s THR 66 CO 0.69 0.56 1.16 -0.70 -0.69 0.00 0.00 174.62 175.64 3kif s GLU 67 N 0.31 3.36 0.12 4.92 2.12 -1.26 -0.76 118.70 127.52 3kif s GLU 67 Ca -0.18 -1.07 0.26 0.00 0.36 0.00 0.00 54.97 54.33 3kif s GLU 67 Cb -0.18 -4.65 0.70 0.00 0.26 0.00 0.00 34.13 30.26 3kif s GLU 67 CO 0.09 -1.94 1.62 -0.89 -0.54 0.00 0.00 175.26 173.60 3kif n ILE 68 N 6.07 0.35 -3.73 -3.70 5.41 -0.34 -4.67 119.36 118.74 3kif n ILE 68 Ca 0.13 -0.20 -0.18 0.00 1.00 0.00 0.00 62.75 63.50 3kif n ILE 68 Cb 0.48 -0.33 -0.17 0.00 -0.71 0.00 0.00 39.64 38.91 3kif n ILE 68 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3kif s GLY 69 N -3.44 0.17 -0.03 7.39 0.00 -1.08 -4.74 107.32 105.60 3kif s GLY 69 Ca 0.10 0.23 0.20 0.00 0.00 0.00 0.00 44.72 45.24 3kif s GLY 69 CO 0.64 1.07 0.52 -1.14 0.00 0.00 0.00 173.10 174.18 3kif n SER 70 N 4.79 0.30 -3.56 1.64 3.41 -1.26 -1.25 113.62 117.68 3kif n SER 70 Ca -0.14 0.13 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 3kif n SER 70 Cb 0.50 1.12 -0.02 0.00 -0.26 0.00 0.00 64.21 65.55 3kif n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kif s GLY 71 N -4.82 -0.44 0.00 5.00 0.00 -1.25 -4.67 107.32 101.13 3kif s GLY 71 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.05 3kif s GLY 71 CO 0.85 0.13 0.00 0.61 0.00 0.00 0.00 173.10 174.69 3kif n GLY 72 N -0.38 0.74 0.79 0.20 0.00 -0.92 -4.95 105.19 100.68 3kif n GLY 72 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3kif n GLY 72 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kif n TRP 73 N -2.01 0.18 0.05 1.61 7.02 0.14 -4.22 117.44 120.21 3kif n TRP 73 Ca 0.00 -0.09 -0.01 0.00 -1.02 0.00 0.00 57.50 56.38 3kif n TRP 73 Cb 0.00 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.82 3kif n TRP 73 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 3kif h SER 74 N 3.46 0.00 0.00 -0.99 0.02 -1.93 -3.37 113.55 110.74 3kif h SER 74 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kif h SER 74 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3kif h SER 74 CO 0.00 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 3kif n GLY 75 N 1.37 -0.00 3.76 -3.77 0.00 -1.26 -4.88 105.19 100.41 3kif n GLY 75 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3kif n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kif s PHE 76 N -1.90 3.66 -0.03 1.61 0.08 -1.26 -4.36 117.98 115.77 3kif s PHE 76 Ca 0.00 1.13 -0.17 0.00 0.12 0.00 0.00 56.93 58.01 3kif s PHE 76 Cb 0.00 -2.58 -0.32 0.00 -0.57 0.00 0.00 43.02 39.55 3kif s PHE 76 CO 0.00 0.34 0.84 -0.22 -0.10 0.00 0.00 175.22 176.08 3kif h LYS 77 N 5.78 0.39 -4.76 0.44 1.63 -0.02 -3.47 116.57 116.57 3kif h LYS 77 Ca -0.45 -0.67 -0.36 0.00 -0.85 0.00 0.00 60.65 58.32 3kif h LYS 77 Cb 1.20 0.25 -0.25 0.00 -0.60 0.00 0.00 32.23 32.83 3kif h LYS 77 CO 0.70 1.32 -0.76 -0.06 -3.45 0.00 0.00 179.45 177.20 3kif s PHE 78 N -2.52 0.81 -0.19 1.91 0.08 -1.22 -4.95 117.98 111.90 3kif s PHE 78 Ca -0.13 -0.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 3kif s PHE 78 Cb 0.03 -0.50 0.08 0.00 -0.57 0.00 0.00 43.02 42.07 3kif s PHE 78 CO 0.86 -0.02 0.19 -1.17 -0.10 0.00 0.00 175.22 174.99 3kif s LEU 79 N -0.86 -0.00 0.27 -0.37 2.96 -1.26 -1.03 118.68 118.39 3kif s LEU 79 Ca -0.01 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.39 3kif s LEU 79 Cb -0.06 0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.88 3kif s LEU 79 CO 0.00 -0.33 0.70 0.72 -1.32 0.00 0.00 176.35 176.12 3kif s PHE 80 N 2.28 -0.19 -0.12 5.38 -0.71 0.08 -4.94 117.98 119.76 3kif s PHE 80 Ca 0.06 -0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.66 3kif s PHE 80 Cb -0.16 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 3kif s PHE 80 CO -0.11 -1.20 0.02 -0.06 -1.34 0.00 0.00 175.22 172.53 3kif s PHE 81 N -3.91 3.20 0.36 3.49 0.08 -1.26 0.67 117.98 120.61 3kif s PHE 81 Ca 0.11 0.13 -0.25 0.00 0.12 0.00 0.00 56.93 57.04 3kif s PHE 81 Cb -0.05 -1.89 -0.10 0.00 -0.57 0.00 0.00 43.02 40.41 3kif s PHE 81 CO 0.06 0.36 0.98 -1.58 -0.10 0.00 0.00 175.22 174.93 3kif s HIS 82 N -0.46 3.51 0.32 0.36 5.65 0.90 -4.94 115.29 120.63 3kif s HIS 82 Ca 0.09 1.72 0.37 0.00 0.25 0.00 0.00 55.06 57.49 3kif s HIS 82 Cb -0.12 -2.98 1.89 0.00 -1.18 0.00 0.00 32.58 30.19 3kif s HIS 82 CO 0.02 -0.10 2.13 -1.00 -0.65 0.00 0.00 174.74 175.14 3kif h PRO 83 N 2.81 0.00 0.00 2.88 0.13 -1.99 -0.88 132.00 134.94 3kif h PRO 83 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kif h PRO 83 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3kif h PRO 83 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 3kif n ASN 84 N -2.92 0.00 0.00 1.44 3.02 -1.26 -4.80 115.26 110.74 3kif n ASN 84 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3kif n ASN 84 Cb 0.14 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3kif n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kif n GLY 85 N 0.81 1.18 3.82 7.41 0.00 -0.34 -5.07 105.19 113.01 3kif n GLY 85 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3kif n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kif s TYR 86 N -2.00 3.72 -0.18 1.61 2.02 -1.25 -4.42 117.35 116.85 3kif s TYR 86 Ca 0.00 1.26 -0.07 0.00 -0.37 0.00 0.00 57.07 57.89 3kif s TYR 86 Cb 0.00 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3kif s TYR 86 CO 0.00 0.48 0.06 -1.17 -1.57 0.00 0.00 175.55 173.35 3kif s LEU 87 N -1.58 3.84 0.11 -1.29 2.96 -0.42 -0.07 118.68 122.24 3kif s LEU 87 Ca 0.35 0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.46 3kif s LEU 87 Cb -0.18 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3kif s LEU 87 CO 0.20 0.19 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.94 3kif s TYR 88 N 0.26 2.56 -0.22 5.38 1.51 0.21 -2.23 117.35 124.82 3kif s TYR 88 Ca 0.04 -0.25 -0.13 0.00 -1.01 0.00 0.00 57.07 55.72 3kif s TYR 88 Cb -0.12 -1.36 0.07 0.00 -0.11 0.00 0.00 41.96 40.43 3kif s TYR 88 CO 0.00 0.38 0.54 0.00 -1.11 0.00 0.00 175.55 175.37 3kif s ALA 89 N -1.14 -1.44 -0.29 3.71 0.00 -0.88 -0.74 121.76 120.98 3kif s ALA 89 Ca 0.18 1.94 -0.06 0.00 0.00 0.00 0.00 51.96 54.02 3kif s ALA 89 Cb -0.11 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.87 3kif s ALA 89 CO 0.10 -0.32 0.05 0.08 0.00 0.00 0.00 175.76 175.68 3kif s VAL 90 N 1.46 3.72 -0.14 0.00 1.01 -0.20 -0.35 120.40 125.89 3kif s VAL 90 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3kif s VAL 90 Cb -0.07 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3kif s VAL 90 CO -0.15 0.07 -0.14 -0.60 0.00 0.00 0.00 175.10 174.28 3kif s ARG 91 N 1.45 3.30 5.26 2.72 3.52 -0.70 0.74 118.95 135.25 3kif s ARG 91 Ca 0.02 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 3kif s ARG 91 Cb -0.17 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 3kif s ARG 91 CO 0.01 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 3kif n GLY 92 N 3.78 2.56 0.08 8.12 0.00 -1.26 -1.14 105.19 117.33 3kif n GLY 92 Ca -0.19 0.34 0.05 0.00 0.00 0.00 0.00 46.02 46.22 3kif n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kif n GLN 93 N 6.50 1.70 -4.05 1.61 10.64 -1.26 -4.94 117.38 127.58 3kif n GLN 93 Ca 0.00 -1.95 -0.22 0.00 -1.83 0.00 0.00 57.00 53.00 3kif n GLN 93 Cb 0.00 -1.19 -0.03 0.00 -0.86 0.00 0.00 30.24 28.16 3kif n GLN 93 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3kif s ARG 94 N -1.82 3.17 -0.03 2.61 0.52 -0.29 -5.14 118.95 117.97 3kif s ARG 94 Ca 0.16 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 3kif s ARG 94 Cb 0.14 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.90 3kif s ARG 94 CO 0.02 0.42 -0.11 0.12 0.02 0.00 0.00 175.30 175.76 3kif s PHE 95 N -2.06 1.10 0.03 -0.53 5.36 -1.26 -1.71 117.98 118.91 3kif s PHE 95 Ca 0.33 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 3kif s PHE 95 Cb -0.08 -0.77 -0.02 0.00 -0.34 0.00 0.00 43.02 41.81 3kif s PHE 95 CO 0.27 -0.11 -0.05 0.71 -1.46 0.00 0.00 175.22 174.58 3kif s TYR 96 N 0.13 0.43 -0.11 10.12 1.51 0.52 -5.00 117.35 124.96 3kif s TYR 96 Ca -0.03 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.55 3kif s TYR 96 Cb -0.09 -0.27 0.04 0.00 -0.11 0.00 0.00 41.96 41.53 3kif s TYR 96 CO 0.01 -0.11 0.25 -1.59 -1.11 0.00 0.00 175.55 173.00 3kif s LYS 97 N -1.24 0.23 0.23 -0.62 0.00 -1.26 -2.08 119.74 115.00 3kif s LYS 97 Ca -0.10 0.51 -0.18 0.00 0.00 0.00 0.00 55.97 56.20 3kif s LYS 97 Cb -0.08 -0.07 0.02 0.00 0.00 0.00 0.00 37.83 37.69 3kif s LYS 97 CO -0.00 -0.14 0.58 0.00 0.00 0.00 0.00 175.35 175.79 3kif s ALA 98 N 1.07 -0.91 0.40 0.59 0.00 -0.94 -4.98 121.76 117.00 3kif s ALA 98 Ca -0.08 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.29 3kif s ALA 98 Cb -0.09 0.90 -0.13 0.00 0.00 0.00 0.00 23.12 23.81 3kif s ALA 98 CO -0.07 -0.89 0.59 1.28 0.00 0.00 0.00 175.76 176.67 3kif n LEU 99 N -0.39 0.11 -4.77 0.00 4.77 -1.26 -1.30 117.00 114.16 3kif n LEU 99 Ca -0.06 0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 56.46 3kif n LEU 99 Cb 0.61 -1.12 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 3kif n LEU 99 CO 0.17 -2.75 0.93 -2.84 -1.33 0.00 0.00 177.39 171.58 3kif s PRO 100 N -1.56 4.15 0.00 3.23 0.02 -1.26 -4.79 135.00 134.79 3kif s PRO 100 Ca 0.63 2.08 0.13 0.00 0.02 0.00 0.00 61.00 63.86 3kif s PRO 100 Cb -0.62 -2.87 0.75 0.00 0.02 0.00 0.00 34.50 31.78 3kif s PRO 100 CO 0.58 -0.31 1.18 -0.35 -0.33 0.00 0.00 177.00 177.77