#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kif h SER 11 N 0.00 0.22 0.22 1.67 4.64 -2.05 -2.84 113.55 115.42 3kif h SER 11 Ca 0.00 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 60.98 3kif h SER 11 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3kif h SER 11 CO 0.00 1.11 -0.51 0.44 -0.87 0.00 0.00 176.83 177.00 3kif h ASP 12 N 0.06 0.35 0.85 4.97 3.32 -2.05 -1.47 116.42 122.45 3kif h ASP 12 Ca -0.06 -0.17 -0.21 0.00 0.02 0.00 0.00 57.03 56.61 3kif h ASP 12 Cb 1.74 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.15 3kif h ASP 12 CO 0.15 0.80 -1.24 -0.55 -1.72 0.00 0.00 179.24 176.68 3kif h ASN 13 N 0.25 0.00 0.13 6.45 7.08 -1.98 0.63 115.58 128.15 3kif h ASN 13 Ca 0.01 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.25 3kif h ASN 13 Cb 0.98 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.18 3kif h ASN 13 CO 0.08 0.80 -0.47 -0.25 -2.08 0.00 0.00 177.43 175.52 3kif h TRP 14 N 0.00 -1.35 -0.57 4.14 7.01 -1.40 0.58 115.95 124.36 3kif h TRP 14 Ca -0.13 0.03 0.16 0.00 2.11 0.00 0.00 58.89 61.06 3kif h TRP 14 Cb 1.73 0.57 -0.02 0.00 -2.10 0.00 0.00 29.16 29.34 3kif h TRP 14 CO 0.00 -0.56 0.41 0.52 -2.79 0.00 0.00 178.44 176.02 3kif h MET 15 N -0.71 0.03 -0.39 2.65 2.86 -1.28 -0.07 114.93 118.01 3kif h MET 15 Ca 0.01 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3kif h MET 15 Cb 0.73 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 3kif h MET 15 CO -0.26 0.02 0.20 0.78 1.06 0.00 0.00 176.91 178.70 3kif h GLY 16 N 0.03 0.60 -0.95 8.32 0.00 0.12 -3.15 103.07 108.04 3kif h GLY 16 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3kif h GLY 16 CO -0.01 0.28 0.00 -0.96 0.00 0.00 0.00 176.54 175.85 3kif n ARG 17 N -4.71 1.87 -2.04 4.80 1.85 -0.13 -4.92 116.66 113.37 3kif n ARG 17 Ca -0.00 -1.28 -0.28 0.00 -1.00 0.00 0.00 57.85 55.30 3kif n ARG 17 Cb 0.10 -1.47 0.09 0.00 -1.05 0.00 0.00 32.46 30.13 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 -1.95 2.86 -0.13 2.89 0.00 -0.20 -5.05 121.76 120.18 3kif s ALA 18 Ca 0.35 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 3kif s ALA 18 Cb 0.20 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3kif s ALA 18 CO 0.32 -1.55 0.45 0.21 0.00 0.00 0.00 175.76 175.18 3kif s LYS 19 N -5.45 4.33 -0.68 0.00 2.20 -1.26 -4.98 119.74 113.90 3kif s LYS 19 Ca 0.62 0.39 -0.25 0.00 -0.36 0.00 0.00 55.97 56.37 3kif s LYS 19 Cb -0.10 -3.43 0.05 0.00 -1.51 0.00 0.00 37.83 32.83 3kif s LYS 19 CO 0.47 0.17 1.13 -2.00 -0.36 0.00 0.00 175.35 174.76 3kif s GLU 20 N 0.60 3.20 0.00 4.03 2.12 -1.26 -4.81 118.70 122.58 3kif s GLU 20 Ca 0.24 -0.42 0.22 0.00 0.36 0.00 0.00 54.97 55.38 3kif s GLU 20 Cb -0.15 -4.17 0.02 0.00 0.26 0.00 0.00 34.13 30.09 3kif s GLU 20 CO 0.09 -1.94 1.08 0.44 -0.54 0.00 0.00 175.26 174.39 3kif n ILE 21 N 6.22 0.00 -3.92 -3.70 -5.35 -1.26 -3.97 119.36 107.38 3kif n ILE 21 Ca 0.01 -0.30 -0.10 0.00 -0.27 0.00 0.00 62.75 62.09 3kif n ILE 21 Cb 0.48 1.28 -0.10 0.00 -1.74 0.00 0.00 39.64 39.56 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 -2.34 0.15 -0.03 3.28 0.00 -1.26 -3.88 107.32 103.24 3kif s GLY 22 Ca 0.19 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 44.52 3kif s GLY 22 CO 0.51 -0.56 0.97 -2.01 0.00 0.00 0.00 173.10 172.01 3kif n ASN 23 N 1.14 0.75 0.00 1.64 4.05 -1.26 -4.99 115.26 116.58 3kif n ASN 23 Ca -0.21 -2.14 0.00 0.00 0.45 0.00 0.00 54.58 52.68 3kif n ASN 23 Cb 0.57 -0.22 0.00 0.00 1.23 0.00 0.00 39.78 41.36 3kif n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kif n GLY 24 N -0.41 2.28 2.25 8.20 0.00 -1.26 -4.99 105.19 111.26 3kif n GLY 24 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3kif n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kif n GLY 25 N -0.46 0.63 0.11 -0.02 0.00 -1.26 -4.90 105.19 99.29 3kif n GLY 25 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.03 1.61 4.06 -1.97 -3.34 115.95 116.28 3kif h TRP 26 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 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 0.62 0.02 -0.44 -3.56 0.00 0.00 178.44 175.09 3kif h ASP 27 N 0.00 0.00 0.01 -3.49 3.32 -2.02 -3.28 116.42 110.96 3kif h ASP 27 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3kif h ASP 27 Cb 1.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.09 3kif h ASP 27 CO 0.07 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.58 3kif n GLN 28 N -4.45 1.27 -2.62 3.56 -0.00 -1.25 -4.84 117.38 109.04 3kif n GLN 28 Ca -0.02 -0.42 -0.39 0.00 -0.00 0.00 0.00 57.00 56.17 3kif n GLN 28 Cb 0.12 -1.49 -0.05 0.00 -0.00 0.00 0.00 30.24 28.82 3kif n GLN 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3kif s PHE 29 N -2.02 3.64 0.18 2.61 0.08 -1.24 -4.87 117.98 116.36 3kif s PHE 29 Ca 0.43 1.76 -0.02 0.00 0.12 0.00 0.00 56.93 59.22 3kif s PHE 29 Cb 0.21 -3.10 0.06 0.00 -0.57 0.00 0.00 43.02 39.62 3kif s PHE 29 CO 0.36 -0.15 1.44 0.37 -0.10 0.00 0.00 175.22 177.14 3kif h GLN 30 N 3.50 0.43 -3.24 0.44 5.75 -0.90 -3.46 115.11 117.63 3kif h GLN 30 Ca -0.47 -0.34 -0.13 0.00 -0.15 0.00 0.00 58.65 57.56 3kif h GLN 30 Cb 1.21 0.07 -0.20 0.00 1.07 0.00 0.00 27.48 29.62 3kif h GLN 30 CO 0.66 0.98 -0.37 -0.06 -2.65 0.00 0.00 178.83 177.38 3kif s PHE 31 N -3.65 -0.09 -0.28 3.99 0.08 -1.24 -4.95 117.98 111.85 3kif s PHE 31 Ca -0.06 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.09 3kif s PHE 31 Cb 0.10 0.03 0.17 0.00 -0.57 0.00 0.00 43.02 42.76 3kif s PHE 31 CO 0.84 -0.34 0.49 -1.17 -0.10 0.00 0.00 175.22 174.94 3kif s LEU 32 N -1.33 -1.07 0.27 -0.37 2.96 -1.26 -1.97 118.68 115.92 3kif s LEU 32 Ca -0.14 0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 3kif s LEU 32 Cb -0.06 1.60 0.01 0.00 0.50 0.00 0.00 46.19 48.24 3kif s LEU 32 CO 0.03 -0.30 0.60 0.72 -1.32 0.00 0.00 176.35 176.08 3kif s PHE 33 N 2.69 0.15 0.03 5.38 -0.71 -0.56 -5.00 117.98 119.97 3kif s PHE 33 Ca 0.14 -0.57 0.04 0.00 -1.04 0.00 0.00 56.93 55.50 3kif s PHE 33 Cb -0.14 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 3kif s PHE 33 CO -0.22 -1.14 -0.07 -0.06 -1.34 0.00 0.00 175.22 172.39 3kif s PHE 34 N -3.83 2.86 0.97 3.49 0.08 -1.26 -0.92 117.98 119.37 3kif s PHE 34 Ca 0.18 -0.07 -0.15 0.00 0.12 0.00 0.00 56.93 57.01 3kif s PHE 34 Cb -0.03 -1.57 0.18 0.00 -0.57 0.00 0.00 43.02 41.04 3kif s PHE 34 CO 0.09 0.39 1.20 0.16 -0.10 0.00 0.00 175.22 176.96 3kif s ASP 35 N -1.64 2.98 0.48 1.36 1.47 -0.68 -4.67 116.67 115.96 3kif s ASP 35 Ca 0.19 0.64 0.32 0.00 1.18 0.00 0.00 52.55 54.88 3kif s ASP 35 Cb -0.11 -0.96 1.45 0.00 -0.34 0.00 0.00 42.92 42.96 3kif s ASP 35 CO 0.10 -2.85 1.96 -0.65 0.68 0.00 0.00 175.17 174.41 3kif h PRO 36 N -1.71 0.00 -0.25 2.11 0.11 -1.87 -2.70 132.00 127.69 3kif h PRO 36 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.37 3kif n ASN 37 N -2.82 1.66 0.00 -2.05 5.03 -1.26 -4.92 115.26 110.90 3kif n ASN 37 Ca 0.00 -1.85 0.00 0.00 0.87 0.00 0.00 54.58 53.60 3kif n ASN 37 Cb 0.22 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 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 1.06 0.65 3.81 7.41 0.00 -1.02 -5.05 105.19 112.05 3kif n GLY 38 Ca 0.13 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 3.42 -0.17 1.61 2.02 -1.26 -4.42 117.35 116.55 3kif s TYR 39 Ca 0.00 1.61 -0.11 0.00 -0.37 0.00 0.00 57.07 58.20 3kif s TYR 39 Cb 0.00 -2.84 -0.05 0.00 -0.40 0.00 0.00 41.96 38.68 3kif s TYR 39 CO 0.00 -0.00 0.21 -1.17 -1.57 0.00 0.00 175.55 173.01 3kif s LEU 40 N -2.86 4.25 0.01 -1.29 2.96 -0.41 -1.69 118.68 119.64 3kif s LEU 40 Ca 0.58 0.39 0.06 0.00 -0.22 0.00 0.00 54.13 54.94 3kif s LEU 40 Cb -0.12 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 3kif s LEU 40 CO 0.16 0.17 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.89 3kif s TYR 41 N 0.23 2.60 -0.01 5.38 1.51 -0.10 -2.19 117.35 124.77 3kif s TYR 41 Ca 0.13 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 3kif s TYR 41 Cb -0.12 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3kif s TYR 41 CO 0.01 0.22 -0.03 0.00 -1.11 0.00 0.00 175.55 174.64 3kif s ALA 42 N -0.85 0.36 -0.19 3.71 0.00 -0.66 -1.50 121.76 122.63 3kif s ALA 42 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.96 3kif s ALA 42 Cb -0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3kif s ALA 42 CO 0.04 0.03 0.04 0.08 0.00 0.00 0.00 175.76 175.95 3kif s VAL 43 N 0.31 4.50 0.01 0.00 1.01 -0.83 -0.91 120.40 124.49 3kif s VAL 43 Ca -0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 3kif s VAL 43 Cb -0.06 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3kif s VAL 43 CO -0.01 0.44 0.33 -0.55 0.00 0.00 0.00 175.10 175.31 3kif s SER 44 N 0.64 -0.19 -1.32 3.32 0.15 -0.73 -0.19 113.70 115.39 3kif s SER 44 Ca 0.02 0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.52 3kif s SER 44 Cb -0.13 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 3kif s SER 44 CO 0.02 -0.53 0.29 0.59 1.20 0.00 0.00 173.24 174.81 3kif n ASN 45 N 0.95 -1.27 -1.01 5.45 3.02 -1.26 0.16 115.26 121.31 3kif n ASN 45 Ca -0.20 -1.22 -0.10 0.00 -0.03 0.00 0.00 54.58 53.02 3kif n ASN 45 Cb 0.58 -1.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.21 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 -2.36 -3.90 -4.58 6.41 2.03 -1.26 -4.98 116.55 107.91 3kif n ASP 46 Ca -0.22 0.25 -0.26 0.00 0.52 0.00 0.00 54.79 55.09 3kif n ASP 46 Cb 0.60 -3.24 -0.09 0.00 -0.72 0.00 0.00 41.12 37.67 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 -2.69 2.08 -0.19 -0.67 1.02 0.12 -2.44 119.74 116.97 3kif s LYS 47 Ca 0.00 -1.35 -0.08 0.00 0.02 0.00 0.00 55.97 54.56 3kif s LYS 47 Cb 0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3kif s LYS 47 CO 0.00 0.41 0.09 -1.17 -0.92 0.00 0.00 175.35 173.76 3kif s LEU 48 N -3.08 3.95 0.06 3.17 2.96 -1.01 -1.77 118.68 122.96 3kif s LEU 48 Ca 0.27 0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.39 3kif s LEU 48 Cb -0.08 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3kif s LEU 48 CO 0.16 0.17 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.83 3kif s TYR 49 N 0.40 1.90 0.01 5.38 2.02 -0.09 -2.17 117.35 124.80 3kif s TYR 49 Ca 0.05 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 3kif s TYR 49 Cb -0.12 -1.11 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 3kif s TYR 49 CO -0.00 0.14 -0.01 0.21 -1.57 0.00 0.00 175.55 174.31 3kif s LYS 50 N -1.41 0.13 0.00 -0.62 2.20 -0.62 -1.66 119.74 117.76 3kif s LYS 50 Ca 0.08 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 3kif s LYS 50 Cb -0.09 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 3kif s LYS 50 CO 0.03 -0.02 0.00 0.00 -0.36 0.00 0.00 175.35 175.00 3kif n ALA 51 N 2.50 0.00 -0.51 3.13 0.00 -0.93 -1.70 120.51 123.00 3kif n ALA 51 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 3kif n ALA 51 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 3kif n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kif n SER 52 N 0.00 -0.28 -4.66 0.00 7.64 -1.26 -1.29 113.62 113.77 3kif n SER 52 Ca 0.00 0.41 -0.37 0.00 1.01 0.00 0.00 58.87 59.92 3kif n SER 52 Cb 0.00 -0.33 0.07 0.00 -1.01 0.00 0.00 64.21 62.94 3kif n SER 52 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3kif n PRO 53 N 0.42 0.86 -2.25 1.43 -0.04 -1.26 -4.77 135.00 129.40 3kif n PRO 53 Ca 0.07 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 3kif n PRO 53 Cb 0.07 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.17 3kif n PRO 53 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kif s PRO 54 N -3.18 4.30 0.00 0.54 0.04 -1.26 -4.92 135.00 130.51 3kif s PRO 54 Ca 0.78 2.00 0.25 0.00 0.04 0.00 0.00 61.00 64.07 3kif s PRO 54 Cb -0.38 -2.95 0.40 0.00 0.04 0.00 0.00 34.50 31.61 3kif s PRO 54 CO 0.45 -0.16 1.34 1.04 0.04 0.00 0.00 177.00 179.71 3kif n GLN 55 N 0.61 0.80 -3.82 4.56 1.13 -1.26 -4.91 117.38 114.48 3kif n GLN 55 Ca 0.01 -0.57 -0.06 0.00 -1.94 0.00 0.00 57.00 54.45 3kif n GLN 55 Cb 0.44 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.30 3kif n GLN 55 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3kif s SER 56 N -2.59 -0.13 0.27 1.08 1.04 -1.26 -4.87 113.70 107.24 3kif s SER 56 Ca 0.20 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3kif s SER 56 Cb 0.18 0.66 0.56 0.00 0.10 0.00 0.00 66.02 67.52 3kif s SER 56 CO 0.58 -1.25 1.78 0.44 0.98 0.00 0.00 173.24 175.77 3kif h ASP 57 N 2.00 0.64 -0.06 7.02 3.32 -1.69 -2.33 116.42 125.32 3kif h ASP 57 Ca -0.25 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3kif h ASP 57 Cb 1.24 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3kif h ASP 57 CO 0.30 0.28 0.00 0.35 -1.72 0.00 0.00 179.24 178.45 3kif n THR 58 N -4.81 0.08 -2.89 0.35 -2.24 -1.26 -4.60 114.28 98.91 3kif n THR 58 Ca 0.18 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 3kif n THR 58 Cb 0.43 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.58 6.64 -1.26 3.42 -1.08 -0.88 -4.94 116.67 116.99 3kif s ASP 59 Ca 0.30 0.54 -0.17 0.00 -0.52 0.00 0.00 52.55 52.70 3kif s ASP 59 Cb 0.15 -2.43 0.10 0.00 -1.46 0.00 0.00 42.92 39.28 3kif s ASP 59 CO 0.24 -0.74 1.63 0.21 0.52 0.00 0.00 175.17 177.03 3kif s ASN 60 N 1.78 6.90 0.20 -0.34 3.84 -1.26 -4.78 114.94 121.28 3kif s ASN 60 Ca 0.34 -2.59 -0.11 0.00 0.21 0.00 0.00 52.86 50.71 3kif s ASN 60 Cb -0.13 -2.52 0.13 0.00 -0.55 0.00 0.00 41.25 38.18 3kif s ASN 60 CO 0.16 -1.05 1.85 -0.25 -2.79 0.00 0.00 177.10 175.03 3kif h TRP 61 N 7.50 0.91 -0.27 0.43 7.01 -1.95 -1.03 115.95 128.55 3kif h TRP 61 Ca 0.40 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.31 3kif h TRP 61 Cb 0.88 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 3kif h TRP 61 CO 1.32 0.60 -0.26 0.97 -2.79 0.00 0.00 178.44 178.28 3kif h ILE 62 N 0.95 1.27 -0.40 2.65 6.09 -1.96 -2.34 117.51 123.77 3kif h ILE 62 Ca 0.25 -1.30 -0.13 0.00 -1.37 0.00 0.00 64.86 62.31 3kif h ILE 62 Cb -0.06 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 3kif h ILE 62 CO -0.05 0.42 -0.26 0.00 -3.07 0.00 0.00 178.15 175.19 3kif h ALA 63 N 1.26 0.78 0.00 0.18 0.00 -1.74 -3.13 119.26 116.61 3kif h ALA 63 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kif h ALA 63 Cb 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kif h ALA 63 CO 0.05 0.65 0.00 -0.09 0.00 0.00 0.00 179.25 179.87 3kif h ARG 64 N 0.72 0.00 -6.39 0.00 2.43 -0.73 -3.45 114.38 106.95 3kif h ARG 64 Ca 0.09 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.72 3kif h ARG 64 Cb 0.80 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3kif h ARG 64 CO 0.07 0.00 -0.18 0.00 -1.51 0.00 0.00 179.97 178.35 3kif s ALA 65 N -3.60 3.65 0.02 2.80 0.00 -0.92 -4.99 121.76 118.72 3kif s ALA 65 Ca 0.01 -0.49 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 3kif s ALA 65 Cb 0.09 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.87 3kif s ALA 65 CO 0.46 0.42 0.44 0.99 0.00 0.00 0.00 175.76 178.07 3kif s THR 66 N -1.90 4.98 -0.83 0.00 2.01 -0.69 -4.85 115.64 114.35 3kif s THR 66 Ca 0.44 0.88 -0.20 0.00 0.31 0.00 0.00 61.69 63.12 3kif s THR 66 Cb -0.11 -3.74 0.11 0.00 0.01 0.00 0.00 72.50 68.77 3kif s THR 66 CO 0.26 0.55 1.05 -0.70 -0.69 0.00 0.00 174.62 175.09 3kif s GLU 67 N -1.15 3.43 0.23 4.92 2.12 -1.26 -1.58 118.70 125.40 3kif s GLU 67 Ca 0.25 -1.48 0.25 0.00 0.36 0.00 0.00 54.97 54.35 3kif s GLU 67 Cb -0.17 -4.68 0.88 0.00 0.26 0.00 0.00 34.13 30.42 3kif s GLU 67 CO 0.15 -1.77 1.76 -0.89 -0.54 0.00 0.00 175.26 173.97 3kif n ILE 68 N 5.61 0.68 -4.29 -3.70 5.41 -0.92 -4.85 119.36 117.30 3kif n ILE 68 Ca 0.14 -0.09 -0.25 0.00 1.00 0.00 0.00 62.75 63.54 3kif n ILE 68 Cb 0.48 -0.80 -0.17 0.00 -0.71 0.00 0.00 39.64 38.44 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 -3.57 0.79 -0.17 7.39 0.00 -0.99 -3.74 107.32 107.02 3kif s GLY 69 Ca 0.08 -0.44 -0.24 0.00 0.00 0.00 0.00 44.72 44.11 3kif s GLY 69 CO 0.52 0.41 0.48 0.23 0.00 0.00 0.00 173.10 174.74 3kif h SER 70 N 7.46 0.00 -5.16 1.64 0.87 -1.88 -2.69 113.55 113.79 3kif h SER 70 Ca -0.31 -0.73 0.10 0.00 -1.23 0.00 0.00 61.79 59.62 3kif h SER 70 Cb 1.16 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 3kif h SER 70 CO 0.45 1.19 0.37 -0.83 -0.53 0.00 0.00 176.83 177.48 3kif s GLY 71 N -4.48 -0.01 0.00 5.77 0.00 -1.26 -4.77 107.32 102.58 3kif s GLY 71 Ca -0.23 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.22 3kif s GLY 71 CO 0.61 0.24 0.00 0.61 0.00 0.00 0.00 173.10 174.57 3kif n GLY 72 N -0.51 3.28 0.27 0.20 0.00 -1.20 -4.93 105.19 102.29 3kif n GLY 72 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3kif n GLY 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kif h TRP 73 N 0.00 0.00 0.00 1.61 4.06 -1.83 0.22 115.95 120.01 3kif h TRP 73 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3kif h TRP 73 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3kif h TRP 73 CO 0.00 0.11 0.00 0.43 -3.56 0.00 0.00 178.44 175.42 3kif n SER 74 N -3.64 0.65 -0.42 -3.49 7.64 -1.26 -3.42 113.62 109.69 3kif n SER 74 Ca -0.02 0.66 0.14 0.00 1.01 0.00 0.00 58.87 60.66 3kif n SER 74 Cb 0.23 -0.80 0.53 0.00 -1.01 0.00 0.00 64.21 63.16 3kif n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kif n GLY 75 N 0.06 -0.16 3.71 0.23 0.00 0.77 -4.82 105.19 104.98 3kif n GLY 75 Ca 0.02 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.08 3.55 0.05 1.61 0.08 -1.22 -4.61 117.98 115.36 3kif s PHE 76 Ca 0.36 1.25 -0.17 0.00 0.12 0.00 0.00 56.93 58.50 3kif s PHE 76 Cb 0.21 -2.84 -0.17 0.00 -0.57 0.00 0.00 43.02 39.64 3kif s PHE 76 CO 0.37 0.03 1.25 -0.22 -0.10 0.00 0.00 175.22 176.54 3kif h LYS 77 N 6.87 0.57 -6.06 0.44 3.64 -1.14 -3.45 116.57 117.43 3kif h LYS 77 Ca -0.39 -0.45 -0.57 0.00 -1.27 0.00 0.00 60.65 57.97 3kif h LYS 77 Cb 1.19 0.09 -0.25 0.00 -0.41 0.00 0.00 32.23 32.85 3kif h LYS 77 CO 0.76 1.08 -0.84 -0.06 -2.27 0.00 0.00 179.45 178.12 3kif s PHE 78 N -3.72 1.78 -0.25 1.91 0.08 -1.24 -4.95 117.98 111.59 3kif s PHE 78 Ca -0.12 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.52 3kif s PHE 78 Cb 0.06 -1.05 0.14 0.00 -0.57 0.00 0.00 43.02 41.60 3kif s PHE 78 CO 0.84 0.11 0.42 -1.17 -0.10 0.00 0.00 175.22 175.32 3kif s LEU 79 N -1.29 -0.78 0.08 -0.37 2.96 -1.26 -0.55 118.68 117.47 3kif s LEU 79 Ca 0.07 0.41 -0.26 0.00 -0.22 0.00 0.00 54.13 54.12 3kif s LEU 79 Cb -0.09 1.34 0.08 0.00 0.50 0.00 0.00 46.19 48.02 3kif s LEU 79 CO 0.02 -0.29 0.81 0.72 -1.32 0.00 0.00 176.35 176.29 3kif s PHE 80 N 2.61 -0.36 -0.18 5.38 -0.71 -0.56 -5.00 117.98 119.17 3kif s PHE 80 Ca 0.13 0.16 -0.07 0.00 -1.04 0.00 0.00 56.93 56.10 3kif s PHE 80 Cb -0.15 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 3kif s PHE 80 CO -0.17 -0.72 0.07 -0.06 -1.34 0.00 0.00 175.22 173.01 3kif s PHE 81 N -3.38 3.30 0.47 3.49 0.08 -1.26 -0.56 117.98 120.12 3kif s PHE 81 Ca 0.05 0.15 -0.22 0.00 0.12 0.00 0.00 56.93 57.04 3kif s PHE 81 Cb -0.01 -2.07 -0.07 0.00 -0.57 0.00 0.00 43.02 40.30 3kif s PHE 81 CO -0.07 0.24 1.13 -1.58 -0.10 0.00 0.00 175.22 174.83 3kif s HIS 82 N 0.20 2.88 0.48 0.36 5.65 0.08 -4.95 115.29 120.00 3kif s HIS 82 Ca 0.05 1.55 0.21 0.00 0.25 0.00 0.00 55.06 57.12 3kif s HIS 82 Cb -0.12 -3.30 1.13 0.00 -1.18 0.00 0.00 32.58 29.11 3kif s HIS 82 CO 0.00 -1.36 1.60 -1.35 -0.65 0.00 0.00 174.74 172.98 3kif h PRO 83 N 1.85 0.00 -0.51 2.88 0.11 -1.99 -1.41 132.00 132.93 3kif h PRO 83 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kif h PRO 83 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kif h PRO 83 CO 0.60 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 3kif n ASN 84 N -2.58 2.68 0.00 -2.05 0.23 -1.26 -4.80 115.26 107.47 3kif n ASN 84 Ca -0.01 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 3kif n ASN 84 Cb 0.45 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3kif n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kif n GLY 85 N 1.03 1.57 3.75 4.83 0.00 -0.53 -5.05 105.19 110.80 3kif n GLY 85 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.69 3.16 -0.23 1.61 1.51 -1.26 -4.53 117.35 114.92 3kif s TYR 86 Ca 0.00 1.30 -0.25 0.00 -1.01 0.00 0.00 57.07 57.11 3kif s TYR 86 Cb 0.00 -3.65 -0.01 0.00 -0.11 0.00 0.00 41.96 38.20 3kif s TYR 86 CO 0.00 -1.91 0.84 -1.17 -1.11 0.00 0.00 175.55 172.21 3kif s LEU 87 N -0.91 4.10 -0.09 -1.29 2.96 0.25 -0.74 118.68 122.96 3kif s LEU 87 Ca 0.53 1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 55.49 3kif s LEU 87 Cb -0.38 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3kif s LEU 87 CO 0.45 -0.51 0.05 -0.31 -1.32 0.00 0.00 176.35 174.71 3kif s TYR 88 N 2.76 3.30 0.00 5.38 1.51 0.27 -2.45 117.35 128.13 3kif s TYR 88 Ca 0.36 0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.70 3kif s TYR 88 Cb -0.15 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 3kif s TYR 88 CO 0.08 0.56 0.01 0.00 -1.11 0.00 0.00 175.55 175.09 3kif s ALA 89 N -0.96 -0.01 -0.15 3.71 0.00 -1.02 -1.50 121.76 121.83 3kif s ALA 89 Ca 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 3kif s ALA 89 Cb -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3kif s ALA 89 CO 0.04 -0.10 -0.06 0.08 0.00 0.00 0.00 175.76 175.72 3kif s VAL 90 N -0.77 3.61 -0.04 0.00 1.01 0.29 -0.17 120.40 124.32 3kif s VAL 90 Ca -0.08 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3kif s VAL 90 Cb -0.05 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.78 3kif s VAL 90 CO -0.00 0.50 -0.05 -0.60 0.00 0.00 0.00 175.10 174.95 3kif s ARG 91 N 0.43 0.85 6.25 2.72 3.52 0.13 -0.56 118.95 132.29 3kif s ARG 91 Ca -0.06 -0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 3kif s ARG 91 Cb -0.15 -0.85 0.00 0.00 -1.56 0.00 0.00 34.95 32.39 3kif s ARG 91 CO 0.03 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 3kif n GLY 92 N 4.05 3.32 1.67 8.12 0.00 -1.26 0.75 105.19 121.85 3kif n GLY 92 Ca -0.25 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 14.00 4.31 -3.80 1.61 0.00 -1.26 -4.95 117.38 127.29 3kif n GLN 93 Ca 0.00 -3.03 -0.36 0.00 0.00 0.00 0.00 57.00 53.60 3kif n GLN 93 Cb 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 30.24 28.08 3kif n GLN 93 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3kif s ARG 94 N -2.46 3.81 -0.24 2.61 0.52 0.23 -5.08 118.95 118.34 3kif s ARG 94 Ca 0.52 -0.16 -0.09 0.00 -0.52 0.00 0.00 55.73 55.48 3kif s ARG 94 Cb 0.38 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 3kif s ARG 94 CO 0.18 0.55 0.12 0.12 0.02 0.00 0.00 175.30 176.29 3kif s PHE 95 N -0.36 3.22 0.41 -0.53 5.36 -1.26 0.19 117.98 125.00 3kif s PHE 95 Ca 0.12 0.00 0.04 0.00 -0.96 0.00 0.00 56.93 56.13 3kif s PHE 95 Cb -0.12 -2.25 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 3kif s PHE 95 CO 0.01 -0.08 0.06 0.71 -1.46 0.00 0.00 175.22 174.47 3kif s TYR 96 N 1.22 1.95 -0.28 10.12 1.51 0.75 -4.99 117.35 127.63 3kif s TYR 96 Ca 0.06 -1.03 -0.20 0.00 -1.01 0.00 0.00 57.07 54.89 3kif s TYR 96 Cb -0.14 -1.38 0.13 0.00 -0.11 0.00 0.00 41.96 40.45 3kif s TYR 96 CO 0.05 0.01 0.97 -1.59 -1.11 0.00 0.00 175.55 173.89 3kif s LYS 97 N -3.80 0.47 0.27 -0.62 -2.85 -1.26 -2.43 119.74 109.52 3kif s LYS 97 Ca 0.25 0.68 -0.19 0.00 -1.00 0.00 0.00 55.97 55.71 3kif s LYS 97 Cb 0.05 0.17 0.07 0.00 -2.06 0.00 0.00 37.83 36.06 3kif s LYS 97 CO 0.13 -0.08 0.95 0.00 0.10 0.00 0.00 175.35 176.45 3kif s ALA 98 N 0.82 -1.26 0.57 0.59 0.00 -1.03 -5.02 121.76 116.44 3kif s ALA 98 Ca -0.03 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 3kif s ALA 98 Cb -0.04 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 3kif s ALA 98 CO -0.11 -1.04 1.18 -0.51 0.00 0.00 0.00 175.76 175.29 3kif s LEU 99 N -3.32 3.72 0.77 0.00 1.43 -1.26 -0.58 118.68 119.44 3kif s LEU 99 Ca 0.20 2.32 -0.16 0.00 -1.03 0.00 0.00 54.13 55.47 3kif s LEU 99 Cb -0.04 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 3kif s LEU 99 CO 0.08 -1.42 0.37 -2.65 0.23 0.00 0.00 176.35 172.95 3kif n PRO 100 N -1.40 0.16 -0.96 1.29 -0.02 -1.26 -4.76 135.00 128.05 3kif n PRO 100 Ca 0.12 0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 3kif n PRO 100 Cb 0.50 -1.72 0.22 0.00 -0.02 0.00 0.00 33.50 32.48 3kif n PRO 100 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kif s PRO 101 N -2.74 -0.62 0.00 0.52 0.04 -1.26 -5.06 135.00 125.89 3kif s PRO 101 Ca 0.62 0.37 0.00 0.00 0.04 0.00 0.00 61.00 62.03 3kif s PRO 101 Cb -0.32 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3kif s PRO 101 CO 0.62 -3.40 0.00 1.55 0.04 0.00 0.00 177.00 175.81