#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kif h TRP 14 N 0.00 0.34 -0.97 1.20 7.01 -2.05 -3.31 115.95 118.17 3kif h TRP 14 Ca 0.00 -0.11 0.09 0.00 2.11 0.00 0.00 58.89 60.98 3kif h TRP 14 Cb 0.00 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 26.92 3kif h TRP 14 CO 0.00 0.72 0.62 0.52 -2.79 0.00 0.00 178.44 177.51 3kif h MET 15 N -0.14 1.02 -0.19 2.65 2.86 -2.05 -2.06 114.93 117.01 3kif h MET 15 Ca 0.01 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.44 3kif h MET 15 Cb 0.68 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3kif h MET 15 CO 0.03 0.67 -0.53 0.78 1.06 0.00 0.00 176.91 178.93 3kif h GLY 16 N 1.05 0.61 -0.11 8.32 0.00 -2.06 -2.61 103.07 108.27 3kif h GLY 16 Ca 0.44 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kif h GLY 16 CO -0.20 0.63 0.00 -0.96 0.00 0.00 0.00 176.54 176.01 3kif n ARG 17 N -3.97 1.41 -2.71 4.80 1.85 -1.04 -4.94 116.66 112.06 3kif n ARG 17 Ca -0.03 -0.62 -0.37 0.00 -1.00 0.00 0.00 57.85 55.84 3kif n ARG 17 Cb 0.59 -1.40 -0.06 0.00 -1.05 0.00 0.00 32.46 30.55 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 -1.92 3.18 -0.17 2.89 0.00 -0.80 -5.03 121.76 119.91 3kif s ALA 18 Ca 0.34 0.58 -0.24 0.00 0.00 0.00 0.00 51.96 52.64 3kif s ALA 18 Cb 0.17 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 3kif s ALA 18 CO 0.28 0.06 0.76 0.21 0.00 0.00 0.00 175.76 177.07 3kif s LYS 19 N -2.20 4.28 -0.18 0.00 2.47 -1.26 -5.01 119.74 117.84 3kif s LYS 19 Ca 0.52 0.89 -0.27 0.00 -1.56 0.00 0.00 55.97 55.55 3kif s LYS 19 Cb -0.20 -3.57 -0.01 0.00 -1.46 0.00 0.00 37.83 32.60 3kif s LYS 19 CO 0.25 -0.27 0.93 -2.00 0.16 0.00 0.00 175.35 174.42 3kif s GLU 20 N 1.97 4.31 -0.13 4.03 2.12 -1.26 -4.93 118.70 124.81 3kif s GLU 20 Ca 0.35 1.19 0.18 0.00 0.36 0.00 0.00 54.97 57.06 3kif s GLU 20 Cb -0.16 -3.59 0.29 0.00 0.26 0.00 0.00 34.13 30.92 3kif s GLU 20 CO 0.12 -0.43 1.15 0.44 -0.54 0.00 0.00 175.26 176.00 3kif n ILE 21 N 4.90 1.82 0.00 -3.70 -5.35 -1.26 -3.83 119.36 111.94 3kif n ILE 21 Ca 0.08 -2.23 0.00 0.00 -0.27 0.00 0.00 62.75 60.33 3kif n ILE 21 Cb 0.48 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 3kif n ILE 21 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kif n GLY 22 N -1.36 1.42 0.02 3.28 0.00 -1.26 -4.19 105.19 103.10 3kif n GLY 22 Ca 0.15 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.33 3kif n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kif n ASN 23 N 0.00 1.64 -3.30 1.61 0.23 -1.26 -4.94 115.26 109.24 3kif n ASN 23 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 3kif n ASN 23 Cb 0.00 1.50 -0.02 0.00 -2.08 0.00 0.00 39.78 39.18 3kif n ASN 23 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3kif s GLY 24 N -3.90 0.81 0.00 4.83 0.00 -1.26 -5.02 107.32 102.77 3kif s GLY 24 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.62 3kif s GLY 24 CO 0.60 -0.62 0.00 0.61 0.00 0.00 0.00 173.10 173.69 3kif n GLY 25 N -0.51 1.48 0.25 0.20 0.00 -1.26 -4.84 105.19 100.51 3kif n GLY 25 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.95 -2.68 115.95 116.99 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 0.00 -0.00 0.38 -3.56 0.00 0.00 178.44 175.26 3kif h ASP 27 N 0.00 0.00 1.27 -3.49 3.04 -2.03 -3.29 116.42 111.92 3kif h ASP 27 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3kif h ASP 27 Cb 0.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 3kif h ASP 27 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 3kif n GLN 28 N -3.09 0.17 -3.19 4.15 10.64 -1.01 -4.86 117.38 120.19 3kif n GLN 28 Ca 0.01 0.16 -0.35 0.00 -1.83 0.00 0.00 57.00 54.99 3kif n GLN 28 Cb 0.36 -1.71 -0.06 0.00 -0.86 0.00 0.00 30.24 27.97 3kif n GLN 28 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3kif s PHE 29 N -3.08 3.59 -0.25 2.61 0.08 -1.24 -4.57 117.98 115.11 3kif s PHE 29 Ca 0.11 1.25 0.22 0.00 0.12 0.00 0.00 56.93 58.63 3kif s PHE 29 Cb 0.14 -2.52 -0.22 0.00 -0.57 0.00 0.00 43.02 39.85 3kif s PHE 29 CO 0.56 0.33 0.69 0.94 -0.10 0.00 0.00 175.22 177.64 3kif n GLN 30 N 0.56 0.52 -3.87 0.44 7.27 0.04 -4.93 117.38 117.42 3kif n GLN 30 Ca -0.02 -0.10 -0.11 0.00 0.07 0.00 0.00 57.00 56.84 3kif n GLN 30 Cb 0.52 -1.58 -0.09 0.00 2.41 0.00 0.00 30.24 31.50 3kif n GLN 30 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3kif s PHE 31 N -3.39 0.05 -0.30 3.69 0.08 -1.25 -4.96 117.98 111.90 3kif s PHE 31 Ca -0.03 -0.18 -0.08 0.00 0.12 0.00 0.00 56.93 56.76 3kif s PHE 31 Cb 0.14 -0.05 0.17 0.00 -0.57 0.00 0.00 43.02 42.70 3kif s PHE 31 CO 0.87 -0.33 0.76 -1.17 -0.10 0.00 0.00 175.22 175.25 3kif s LEU 32 N -1.60 -1.02 0.18 -0.37 2.96 -1.26 -2.50 118.68 115.06 3kif s LEU 32 Ca -0.12 0.96 -0.24 0.00 -0.22 0.00 0.00 54.13 54.51 3kif s LEU 32 Cb -0.06 1.99 0.06 0.00 0.50 0.00 0.00 46.19 48.68 3kif s LEU 32 CO 0.00 -0.19 0.83 0.72 -1.32 0.00 0.00 176.35 176.38 3kif s PHE 33 N 2.81 -0.23 0.10 5.38 -0.71 -0.89 -5.00 117.98 119.44 3kif s PHE 33 Ca 0.06 -0.09 0.04 0.00 -1.04 0.00 0.00 56.93 55.89 3kif s PHE 33 Cb -0.12 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 3kif s PHE 33 CO -0.18 -0.93 0.08 -0.06 -1.34 0.00 0.00 175.22 172.79 3kif s PHE 34 N -3.53 3.15 0.70 3.49 0.08 -1.26 -0.08 117.98 120.52 3kif s PHE 34 Ca 0.09 0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.16 3kif s PHE 34 Cb -0.03 -1.58 0.10 0.00 -0.57 0.00 0.00 43.02 40.94 3kif s PHE 34 CO 0.00 0.52 0.98 0.16 -0.10 0.00 0.00 175.22 176.78 3kif s ASP 35 N -2.53 4.51 0.09 1.36 1.47 -0.82 -4.61 116.67 116.12 3kif s ASP 35 Ca 0.29 -0.12 0.12 0.00 1.18 0.00 0.00 52.55 54.03 3kif s ASP 35 Cb -0.12 -0.38 0.55 0.00 -0.34 0.00 0.00 42.92 42.64 3kif s ASP 35 CO 0.22 -1.75 1.38 -2.65 0.68 0.00 0.00 175.17 173.05 3kif n PRO 36 N -2.82 0.05 0.00 2.11 -0.02 -1.26 -1.63 135.00 131.43 3kif n PRO 36 Ca 0.12 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 3kif n PRO 36 Cb 0.60 -1.63 0.26 0.00 -0.02 0.00 0.00 33.50 32.71 3kif n PRO 36 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kif n ASN 37 N -1.73 1.79 0.00 2.55 5.03 -1.26 -4.96 115.26 116.67 3kif n ASN 37 Ca 0.01 -1.42 0.00 0.00 0.87 0.00 0.00 54.58 54.05 3kif n ASN 37 Cb 0.10 0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 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 1.32 0.63 3.76 7.41 0.00 -0.64 -5.06 105.19 112.60 3kif n GLY 38 Ca 0.13 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 3.97 -0.08 1.61 2.02 -1.26 -4.36 117.35 117.25 3kif s TYR 39 Ca 0.00 1.85 -0.14 0.00 -0.37 0.00 0.00 57.07 58.41 3kif s TYR 39 Cb 0.00 -2.93 -0.05 0.00 -0.40 0.00 0.00 41.96 38.58 3kif s TYR 39 CO 0.00 0.47 0.35 -1.17 -1.57 0.00 0.00 175.55 173.63 3kif s LEU 40 N -1.15 4.37 0.04 -1.29 2.96 0.22 -1.95 118.68 121.89 3kif s LEU 40 Ca 0.40 0.76 0.09 0.00 -0.22 0.00 0.00 54.13 55.15 3kif s LEU 40 Cb -0.25 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 3kif s LEU 40 CO 0.31 0.23 -0.24 -0.31 -1.32 0.00 0.00 176.35 175.01 3kif s TYR 41 N -0.40 2.38 -0.14 5.38 1.51 0.88 -1.43 117.35 125.53 3kif s TYR 41 Ca 0.21 -0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 55.78 3kif s TYR 41 Cb -0.15 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3kif s TYR 41 CO 0.09 0.16 0.37 0.00 -1.11 0.00 0.00 175.55 175.06 3kif s ALA 42 N -0.83 -0.92 -0.18 3.71 0.00 0.48 -2.11 121.76 121.91 3kif s ALA 42 Ca 0.12 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 3kif s ALA 42 Cb -0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3kif s ALA 42 CO 0.03 -0.19 -0.02 0.08 0.00 0.00 0.00 175.76 175.66 3kif s VAL 43 N 0.37 3.89 -0.06 0.00 1.01 -1.04 -0.80 120.40 123.76 3kif s VAL 43 Ca -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3kif s VAL 43 Cb -0.03 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3kif s VAL 43 CO -0.01 0.46 0.16 -0.55 0.00 0.00 0.00 175.10 175.16 3kif s SER 44 N 0.69 -0.16 -1.49 3.32 0.15 -0.63 -0.78 113.70 114.80 3kif s SER 44 Ca -0.01 0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.90 3kif s SER 44 Cb -0.14 0.30 0.06 0.00 -1.71 0.00 0.00 66.02 64.52 3kif s SER 44 CO 0.02 -0.08 0.15 0.59 1.20 0.00 0.00 173.24 175.12 3kif n ASN 45 N 3.34 0.15 0.00 5.45 3.02 -1.26 -0.81 115.26 125.15 3kif n ASN 45 Ca -0.16 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 3kif n ASN 45 Cb 0.57 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 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 -2.47 -1.27 -4.75 6.41 2.03 -1.26 -4.98 116.55 110.25 3kif n ASP 46 Ca -0.18 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.84 3kif n ASP 46 Cb 0.57 -1.06 -0.07 0.00 -0.72 0.00 0.00 41.12 39.84 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 -0.45 2.77 -0.13 -0.67 1.02 0.01 -1.76 119.74 120.53 3kif s LYS 47 Ca 0.00 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 3kif s LYS 47 Cb 0.00 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 3kif s LYS 47 CO 0.00 0.52 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.69 3kif s LEU 48 N -2.69 2.97 0.02 3.17 2.96 -0.28 -1.61 118.68 123.22 3kif s LEU 48 Ca 0.29 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 3kif s LEU 48 Cb -0.11 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3kif s LEU 48 CO 0.21 0.19 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.94 3kif s TYR 49 N 0.20 1.68 -0.00 5.38 2.02 0.02 -0.39 117.35 126.26 3kif s TYR 49 Ca -0.05 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 3kif s TYR 49 Cb -0.15 -1.04 -0.00 0.00 -0.40 0.00 0.00 41.96 40.38 3kif s TYR 49 CO 0.04 0.04 -0.03 0.21 -1.57 0.00 0.00 175.55 174.24 3kif s LYS 50 N -0.87 0.27 0.00 -0.62 2.20 -0.36 -0.39 119.74 119.96 3kif s LYS 50 Ca 0.07 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 3kif s LYS 50 Cb -0.08 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 3kif s LYS 50 CO 0.01 0.07 0.00 0.00 -0.36 0.00 0.00 175.35 175.06 3kif n ALA 51 N 3.03 0.00 -1.77 3.13 0.00 -0.52 -0.81 120.51 123.58 3kif n ALA 51 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 3kif n ALA 51 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 3kif n ALA 51 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kif s SER 52 N 0.00 6.08 0.85 0.00 1.04 -1.26 0.72 113.70 121.13 3kif s SER 52 Ca 0.00 2.78 -0.14 0.00 0.48 0.00 0.00 55.95 59.07 3kif s SER 52 Cb 0.00 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.50 3kif s SER 52 CO 0.00 -1.02 0.64 -0.81 0.98 0.00 0.00 173.24 173.03 3kif n PRO 53 N -0.06 -0.00 -2.11 4.02 -0.04 -1.26 -4.73 135.00 130.81 3kif n PRO 53 Ca 0.05 0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.28 3kif n PRO 53 Cb 0.43 -1.99 0.14 0.00 -0.04 0.00 0.00 33.50 32.04 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 -3.48 1.22 0.00 0.54 0.04 -1.26 -5.04 135.00 127.01 3kif s PRO 54 Ca 0.63 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.18 3kif s PRO 54 Cb -0.27 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3kif s PRO 54 CO 0.61 -1.96 0.04 0.00 0.04 0.00 0.00 177.00 175.72 3kif n GLN 55 N -3.40 0.87 -3.93 4.56 10.64 -1.26 -4.96 117.38 119.90 3kif n GLN 55 Ca 0.13 -0.04 -0.09 0.00 -1.83 0.00 0.00 57.00 55.18 3kif n GLN 55 Cb 0.60 -0.28 -0.05 0.00 -0.86 0.00 0.00 30.24 29.65 3kif n GLN 55 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3kif s SER 56 N -0.13 -0.10 0.34 2.61 1.04 -1.26 -4.82 113.70 111.38 3kif s SER 56 Ca 0.00 -0.82 0.23 0.00 0.48 0.00 0.00 55.95 55.84 3kif s SER 56 Cb 0.00 0.55 1.24 0.00 0.10 0.00 0.00 66.02 67.90 3kif s SER 56 CO 0.00 -1.06 1.71 0.44 0.98 0.00 0.00 173.24 175.31 3kif h ASP 57 N 2.31 0.00 -0.04 7.02 3.32 -1.77 -2.13 116.42 125.13 3kif h ASP 57 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3kif h ASP 57 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3kif h ASP 57 CO 0.39 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.26 3kif n THR 58 N -2.31 0.03 -2.35 0.35 -2.24 -1.26 -4.40 114.28 102.10 3kif n THR 58 Ca -0.01 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.00 3kif n THR 58 Cb 0.05 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.97 5.95 -0.58 3.42 -1.08 -0.80 -4.91 116.67 116.70 3kif s ASP 59 Ca 0.32 -1.28 -0.26 0.00 -0.52 0.00 0.00 52.55 50.81 3kif s ASP 59 Cb 0.20 -2.57 -0.09 0.00 -1.46 0.00 0.00 42.92 39.00 3kif s ASP 59 CO 0.31 -2.02 2.42 -3.20 0.52 0.00 0.00 175.17 173.20 3kif n ASN 60 N 11.02 2.14 0.02 -0.34 2.85 -1.26 -4.80 115.26 124.89 3kif n ASN 60 Ca 0.38 -0.78 -0.19 0.00 -0.11 0.00 0.00 54.58 53.89 3kif n ASN 60 Cb 0.49 -1.60 -0.14 0.00 1.24 0.00 0.00 39.78 39.77 3kif n ASN 60 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 3kif h TRP 61 N 17.69 0.47 -0.10 1.20 7.01 -1.95 -3.17 115.95 137.09 3kif h TRP 61 Ca -0.17 -0.32 -0.03 0.00 2.11 0.00 0.00 58.89 60.47 3kif h TRP 61 Cb 1.20 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.22 3kif h TRP 61 CO 1.02 1.23 -0.08 0.97 -2.79 0.00 0.00 178.44 178.79 3kif h ILE 62 N -0.43 1.12 0.00 2.65 6.09 -1.96 -1.55 117.51 123.43 3kif h ILE 62 Ca -0.11 -0.52 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 3kif h ILE 62 Cb 1.48 1.13 0.00 0.00 0.47 0.00 0.00 36.82 39.90 3kif h ILE 62 CO 0.12 0.16 0.00 0.00 -3.07 0.00 0.00 178.15 175.36 3kif h ALA 63 N 1.78 1.00 -0.32 0.18 0.00 -1.96 -3.09 119.26 116.85 3kif h ALA 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kif h ALA 63 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kif h ALA 63 CO 0.01 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.15 3kif n ARG 64 N -3.00 2.24 -2.52 0.00 1.85 -0.74 -5.01 116.66 109.47 3kif n ARG 64 Ca 0.02 -2.05 -0.36 0.00 -1.00 0.00 0.00 57.85 54.46 3kif n ARG 64 Cb 0.40 -1.41 -0.04 0.00 -1.05 0.00 0.00 32.46 30.36 3kif n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kif s ALA 65 N -1.27 3.04 -0.08 2.89 0.00 -0.66 -4.94 121.76 120.74 3kif s ALA 65 Ca 0.31 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 3kif s ALA 65 Cb 0.18 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3kif s ALA 65 CO 0.25 -0.27 0.70 0.99 0.00 0.00 0.00 175.76 177.44 3kif s THR 66 N -1.71 5.04 -0.91 0.00 2.01 0.01 -4.86 115.64 115.23 3kif s THR 66 Ca 0.60 1.44 -0.24 0.00 0.31 0.00 0.00 61.69 63.80 3kif s THR 66 Cb -0.22 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.31 3kif s THR 66 CO 0.27 0.23 1.34 -0.70 -0.69 0.00 0.00 174.62 175.07 3kif s GLU 67 N 0.94 3.45 0.09 4.92 2.12 -1.26 -1.22 118.70 127.73 3kif s GLU 67 Ca 0.37 -0.91 0.25 0.00 0.36 0.00 0.00 54.97 55.03 3kif s GLU 67 Cb -0.17 -4.91 0.43 0.00 0.26 0.00 0.00 34.13 29.74 3kif s GLU 67 CO 0.17 -2.12 1.38 0.44 -0.54 0.00 0.00 175.26 174.59 3kif n ILE 68 N 6.54 0.27 -4.29 -3.70 -5.35 0.48 -3.36 119.36 109.95 3kif n ILE 68 Ca 0.21 -0.20 -0.24 0.00 -0.27 0.00 0.00 62.75 62.25 3kif n ILE 68 Cb 0.50 -0.07 -0.17 0.00 -1.74 0.00 0.00 39.64 38.16 3kif n ILE 68 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kif s GLY 69 N -3.48 0.71 0.11 3.28 0.00 -0.78 -3.01 107.32 104.14 3kif s GLY 69 Ca 0.08 -0.35 0.21 0.00 0.00 0.00 0.00 44.72 44.66 3kif s GLY 69 CO 0.70 0.40 0.86 1.44 0.00 0.00 0.00 173.10 176.50 3kif n SER 70 N 4.19 0.68 -3.51 1.64 7.64 -1.26 -1.13 113.62 121.88 3kif n SER 70 Ca -0.20 0.28 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 3kif n SER 70 Cb 0.51 0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 64.32 3kif n SER 70 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3kif s GLY 71 N -4.55 -0.48 0.00 0.23 0.00 -1.23 -4.68 107.32 96.62 3kif s GLY 71 Ca -0.03 1.22 0.00 0.00 0.00 0.00 0.00 44.72 45.91 3kif s GLY 71 CO 0.82 0.62 0.00 0.61 0.00 0.00 0.00 173.10 175.14 3kif n GLY 72 N 0.24 0.60 0.12 0.20 0.00 -1.18 -4.89 105.19 100.28 3kif n GLY 72 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.01 1.61 4.06 -1.70 -3.16 115.95 116.76 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 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 3kif h TRP 73 CO 0.02 0.00 -0.03 -1.13 -3.56 0.00 0.00 178.44 173.74 3kif n SER 74 N -2.39 0.71 -0.13 -3.49 3.41 -1.26 -3.61 113.62 106.86 3kif n SER 74 Ca 0.05 -1.11 0.14 0.00 -0.26 0.00 0.00 58.87 57.69 3kif n SER 74 Cb 0.45 -0.01 0.67 0.00 -0.26 0.00 0.00 64.21 65.06 3kif n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kif n GLY 75 N 1.13 -0.88 3.80 5.00 0.00 -1.19 -4.90 105.19 108.16 3kif n GLY 75 Ca 0.20 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.35 3.66 -0.10 1.61 0.08 -1.24 -4.56 117.98 115.09 3kif s PHE 76 Ca 0.33 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.79 3kif s PHE 76 Cb 0.20 -2.75 -0.28 0.00 -0.57 0.00 0.00 43.02 39.63 3kif s PHE 76 CO 0.44 0.28 0.57 -0.22 -0.10 0.00 0.00 175.22 176.19 3kif h LYS 77 N 3.29 0.27 -5.97 0.44 3.64 -0.70 -3.47 116.57 114.06 3kif h LYS 77 Ca -0.47 -0.45 -0.52 0.00 -1.27 0.00 0.00 60.65 57.93 3kif h LYS 77 Cb 1.19 0.17 -0.21 0.00 -0.41 0.00 0.00 32.23 32.97 3kif h LYS 77 CO 0.65 1.22 -0.81 -0.06 -2.27 0.00 0.00 179.45 178.18 3kif s PHE 78 N -2.49 1.70 -0.22 1.91 0.08 -1.22 -4.96 117.98 112.77 3kif s PHE 78 Ca -0.19 -0.44 -0.04 0.00 0.12 0.00 0.00 56.93 56.37 3kif s PHE 78 Cb 0.05 -0.91 0.12 0.00 -0.57 0.00 0.00 43.02 41.70 3kif s PHE 78 CO 0.78 0.21 0.39 -1.17 -0.10 0.00 0.00 175.22 175.33 3kif s LEU 79 N -2.07 -0.64 0.17 -0.37 2.96 -1.26 -1.43 118.68 116.03 3kif s LEU 79 Ca 0.07 0.52 -0.23 0.00 -0.22 0.00 0.00 54.13 54.27 3kif s LEU 79 Cb -0.09 1.20 0.06 0.00 0.50 0.00 0.00 46.19 47.86 3kif s LEU 79 CO 0.04 -0.27 0.71 0.72 -1.32 0.00 0.00 176.35 176.23 3kif s PHE 80 N 2.57 -0.38 -0.14 5.38 -0.71 -0.50 -4.98 117.98 119.21 3kif s PHE 80 Ca 0.07 0.10 -0.08 0.00 -1.04 0.00 0.00 56.93 55.99 3kif s PHE 80 Cb -0.14 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 3kif s PHE 80 CO -0.14 -0.91 0.14 -0.06 -1.34 0.00 0.00 175.22 172.90 3kif s PHE 81 N -3.66 3.55 0.42 3.49 0.08 -1.26 -0.54 117.98 120.06 3kif s PHE 81 Ca 0.05 0.48 -0.22 0.00 0.12 0.00 0.00 56.93 57.36 3kif s PHE 81 Cb -0.02 -2.00 -0.10 0.00 -0.57 0.00 0.00 43.02 40.32 3kif s PHE 81 CO -0.06 0.62 0.97 -1.58 -0.10 0.00 0.00 175.22 175.08 3kif s HIS 82 N -0.65 3.30 -0.08 0.36 5.65 0.09 -4.93 115.29 119.03 3kif s HIS 82 Ca 0.13 1.63 0.20 0.00 0.25 0.00 0.00 55.06 57.27 3kif s HIS 82 Cb -0.12 -2.92 1.11 0.00 -1.18 0.00 0.00 32.58 29.47 3kif s HIS 82 CO 0.02 -0.25 1.59 -1.35 -0.65 0.00 0.00 174.74 174.11 3kif h PRO 83 N 2.06 0.00 -0.09 2.88 0.11 -1.99 -1.41 132.00 133.56 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kif h PRO 83 CO 0.61 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 3kif n ASN 84 N -2.25 0.84 0.00 -2.05 0.23 -1.26 -4.83 115.26 105.94 3kif n ASN 84 Ca -0.01 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.43 3kif n ASN 84 Cb 0.13 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 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 0.94 0.81 3.77 4.83 0.00 -0.53 -5.05 105.19 109.97 3kif n GLY 85 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.28 3.62 -0.19 1.61 1.51 -1.26 -4.47 117.35 115.89 3kif s TYR 86 Ca 0.00 1.76 -0.13 0.00 -1.01 0.00 0.00 57.07 57.69 3kif s TYR 86 Cb 0.00 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.76 3kif s TYR 86 CO 0.00 -0.08 0.26 -1.17 -1.11 0.00 0.00 175.55 173.45 3kif s LEU 87 N -1.96 4.20 0.09 -1.29 2.96 -0.29 -0.73 118.68 121.66 3kif s LEU 87 Ca 0.50 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 3kif s LEU 87 Cb -0.23 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 3kif s LEU 87 CO 0.29 0.07 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.98 3kif s TYR 88 N 0.71 2.75 -0.14 5.38 1.51 0.30 -1.99 117.35 125.87 3kif s TYR 88 Ca 0.14 -0.15 -0.14 0.00 -1.01 0.00 0.00 57.07 55.91 3kif s TYR 88 Cb -0.13 -1.45 0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3kif s TYR 88 CO 0.04 0.42 0.39 0.00 -1.11 0.00 0.00 175.55 175.28 3kif s ALA 89 N -1.19 -0.96 -0.19 3.71 0.00 -0.27 -1.42 121.76 121.45 3kif s ALA 89 Ca 0.21 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 3kif s ALA 89 Cb -0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3kif s ALA 89 CO 0.13 -0.19 -0.10 0.08 0.00 0.00 0.00 175.76 175.69 3kif s VAL 90 N 0.15 3.04 -0.16 0.00 1.01 -0.52 -0.33 120.40 123.60 3kif s VAL 90 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3kif s VAL 90 Cb -0.03 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 34.04 3kif s VAL 90 CO 0.01 0.47 -0.11 -0.60 0.00 0.00 0.00 175.10 174.87 3kif s ARG 91 N 1.11 2.02 7.99 2.72 3.52 -0.21 0.08 118.95 136.18 3kif s ARG 91 Ca 0.01 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 3kif s ARG 91 Cb -0.14 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 3kif s ARG 91 CO -0.02 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 3kif n GLY 92 N 4.78 4.06 0.12 8.12 0.00 -1.26 -0.71 105.19 120.29 3kif n GLY 92 Ca -0.15 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.04 3kif n GLY 92 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kif h GLN 93 N 0.00 0.00 -5.99 1.61 1.08 -2.01 -3.48 115.11 106.32 3kif h GLN 93 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 3kif h GLN 93 Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 3kif h GLN 93 CO 0.00 0.00 -0.47 1.03 -0.95 0.00 0.00 178.83 178.44 3kif s ARG 94 N -3.12 3.46 -0.07 1.46 0.52 0.11 -5.09 118.95 116.21 3kif s ARG 94 Ca 0.10 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 3kif s ARG 94 Cb 0.11 -2.99 -0.00 0.00 0.52 0.00 0.00 34.95 32.59 3kif s ARG 94 CO 0.62 0.56 -0.23 0.12 0.02 0.00 0.00 175.30 176.39 3kif s PHE 95 N -1.61 2.37 0.21 -0.53 5.36 -1.26 -1.05 117.98 121.48 3kif s PHE 95 Ca 0.35 -0.83 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 3kif s PHE 95 Cb -0.12 -1.57 -0.05 0.00 -0.34 0.00 0.00 43.02 40.94 3kif s PHE 95 CO 0.28 -0.30 0.07 0.71 -1.46 0.00 0.00 175.22 174.52 3kif s TYR 96 N 0.11 1.32 -0.05 10.12 1.51 0.55 -4.98 117.35 125.93 3kif s TYR 96 Ca -0.11 -1.18 -0.23 0.00 -1.01 0.00 0.00 57.07 54.55 3kif s TYR 96 Cb -0.15 -0.74 0.05 0.00 -0.11 0.00 0.00 41.96 41.00 3kif s TYR 96 CO 0.06 -0.37 0.51 -1.59 -1.11 0.00 0.00 175.55 173.05 3kif s LYS 97 N -4.02 0.85 0.00 -0.62 -2.85 -1.26 -1.11 119.74 110.73 3kif s LYS 97 Ca 0.33 0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 3kif s LYS 97 Cb 0.07 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3kif s LYS 97 CO 0.10 -0.24 0.00 0.00 0.10 0.00 0.00 175.35 175.30 3kif n ALA 98 N 1.25 0.00 -1.77 0.59 0.00 -0.84 -5.00 120.51 114.74 3kif n ALA 98 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 3kif n ALA 98 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.03 3kif n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kif s LEU 99 N 0.00 4.10 0.76 0.00 1.43 -1.26 -1.13 118.68 122.58 3kif s LEU 99 Ca 0.00 2.95 -0.12 0.00 -1.03 0.00 0.00 54.13 55.93 3kif s LEU 99 Cb 0.00 -3.94 0.05 0.00 0.03 0.00 0.00 46.19 42.33 3kif s LEU 99 CO 0.00 -1.22 1.10 -2.16 0.23 0.00 0.00 176.35 174.31 3kif s PRO 100 N -2.48 2.26 0.74 1.29 0.04 -1.26 -4.82 135.00 130.77 3kif s PRO 100 Ca 0.61 1.27 -0.07 0.00 0.04 0.00 0.00 61.00 62.85 3kif s PRO 100 Cb -0.44 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.29 3kif s PRO 100 CO 0.57 -1.65 1.06 -1.25 0.04 0.00 0.00 177.00 175.76 3kif s PRO 101 N -4.68 1.99 0.00 0.56 0.04 -1.26 -4.96 135.00 126.69 3kif s PRO 101 Ca 0.63 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.37 3kif s PRO 101 Cb -0.19 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3kif s PRO 101 CO 0.53 -1.39 0.00 1.55 0.04 0.00 0.00 177.00 177.72 3kif n VAL 102 N -3.03 0.00 -3.68 -0.36 3.14 -1.26 -4.92 118.33 108.22 3kif n VAL 102 Ca 0.09 -0.29 -0.14 0.00 -2.96 0.00 0.00 64.34 61.04 3kif n VAL 102 Cb 0.60 0.82 -0.07 0.00 -1.06 0.00 0.00 33.84 34.13 3kif n VAL 102 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3kif s SER 103 N -1.10 -0.32 0.00 6.55 0.15 -1.26 -4.82 113.70 112.91 3kif s SER 103 Ca 0.00 0.18 0.24 0.00 0.70 0.00 0.00 55.95 57.07 3kif s SER 103 Cb 0.00 0.40 1.42 0.00 -1.71 0.00 0.00 66.02 66.13 3kif s SER 103 CO 0.00 -0.56 1.81 -0.46 1.20 0.00 0.00 173.24 175.23 3kif n ASN 104 N 0.92 0.00 -0.36 5.45 0.23 -1.17 -4.71 115.26 115.63 3kif n ASN 104 Ca -0.20 -0.88 0.05 0.00 -0.53 0.00 0.00 54.58 53.02 3kif n ASN 104 Cb 0.58 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.31 3kif n ASN 104 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00