#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh s VAL 2 N 0.00 4.93 0.13 3.17 0.11 -1.26 -1.32 120.40 126.16 3knh s VAL 2 Ca 0.00 1.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.53 3knh s VAL 2 Cb 0.00 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 3knh s VAL 2 CO 0.00 0.07 0.01 0.29 -3.33 0.00 0.00 175.10 172.14 3knh n LYS 3 N 5.09 1.64 -3.67 1.54 5.02 -1.15 -4.43 118.16 122.20 3knh n LYS 3 Ca 0.02 -0.96 -0.18 0.00 -2.02 0.00 0.00 58.31 55.18 3knh n LYS 3 Cb 0.49 0.24 -0.16 0.00 -0.02 0.00 0.00 35.03 35.58 3knh n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3knh s ILE 4 N -1.39 -0.21 0.32 -0.18 1.01 -1.25 -0.14 121.20 119.35 3knh s ILE 4 Ca 0.01 0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 3knh s ILE 4 Cb -0.00 -0.26 0.02 0.00 0.01 0.00 0.00 42.46 42.24 3knh s ILE 4 CO 0.01 0.15 0.52 -2.11 0.00 0.00 0.00 174.94 173.51 3knh n ARG 5 N 5.32 0.75 -3.73 2.79 1.85 -0.97 -2.13 116.66 120.54 3knh n ARG 5 Ca -0.04 -2.22 -0.37 0.00 -1.00 0.00 0.00 57.85 54.21 3knh n ARG 5 Cb 0.50 2.36 -0.06 0.00 -1.05 0.00 0.00 32.46 34.20 3knh n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3knh s LEU 6 N 0.00 4.41 -0.62 2.89 1.02 -1.26 -1.47 118.68 123.65 3knh s LEU 6 Ca 0.21 0.63 -0.06 0.00 0.02 0.00 0.00 54.13 54.93 3knh s LEU 6 Cb -0.02 -2.26 0.16 0.00 0.02 0.00 0.00 46.19 44.09 3knh s LEU 6 CO 0.15 0.36 0.46 0.00 0.02 0.00 0.00 176.35 177.34 3knh s ALA 7 N -0.94 3.60 0.76 4.21 0.00 -1.24 -4.77 121.76 123.38 3knh s ALA 7 Ca 0.18 -3.08 -0.16 0.00 0.00 0.00 0.00 51.96 48.90 3knh s ALA 7 Cb -0.14 -2.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 3knh s ALA 7 CO 0.07 -2.07 0.28 -2.13 0.00 0.00 0.00 175.76 171.91 3knh n ARG 8 N 3.94 0.15 0.00 0.00 0.63 -1.26 -2.88 116.66 117.23 3knh n ARG 8 Ca 0.05 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 3knh n ARG 8 Cb 0.40 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.68 3knh n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3knh n PHE 9 N -2.45 0.00 -4.80 -0.14 3.72 -0.83 -4.84 117.46 108.12 3knh n PHE 9 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3knh n PHE 9 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3knh n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3knh n GLY 10 N 0.00 0.52 3.86 1.37 0.00 -1.26 -3.50 105.19 106.18 3knh n GLY 10 Ca 0.00 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 3knh n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3knh n SER 11 N -2.38 1.60 -4.77 1.61 7.64 -1.22 -4.94 113.62 111.16 3knh n SER 11 Ca 0.00 -2.26 -0.41 0.00 1.01 0.00 0.00 58.87 57.21 3knh n SER 11 Cb 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 3knh n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3knh s LYS 12 N -4.92 4.29 -0.11 1.43 2.20 -1.26 -2.02 119.74 119.34 3knh s LYS 12 Ca 0.64 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 3knh s LYS 12 Cb -0.04 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3knh s LYS 12 CO 0.42 -0.26 0.00 0.72 -0.36 0.00 0.00 175.35 175.87 3knh n HIS 13 N 0.69 -0.00 -2.55 4.03 8.25 -1.26 -4.75 115.22 119.63 3knh n HIS 13 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3knh n HIS 13 Cb 0.42 -2.07 0.03 0.00 1.12 0.00 0.00 29.99 29.48 3knh n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3knh n ASN 14 N -1.00 2.85 -4.71 0.41 5.15 -0.86 -5.10 115.26 112.01 3knh n ASN 14 Ca -0.01 -2.93 -0.43 0.00 -0.60 0.00 0.00 54.58 50.60 3knh n ASN 14 Cb 0.51 -0.46 -0.02 0.00 -0.53 0.00 0.00 39.78 39.27 3knh n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3knh n PRO 15 N -0.43 2.36 -3.30 1.20 -0.02 -1.24 -3.41 135.00 130.17 3knh n PRO 15 Ca 0.22 0.84 -0.07 0.00 -2.02 0.00 0.00 63.50 62.46 3knh n PRO 15 Cb 0.81 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3knh n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3knh s HIS 16 N -0.10 -1.04 0.41 6.00 3.76 -1.23 -4.50 115.29 118.59 3knh s HIS 16 Ca 0.65 0.60 -0.07 0.00 -0.15 0.00 0.00 55.06 56.10 3knh s HIS 16 Cb -0.57 -0.03 0.09 0.00 1.11 0.00 0.00 32.58 33.18 3knh s HIS 16 CO 0.50 -0.91 0.56 0.66 -0.85 0.00 0.00 174.74 174.71 3knh n TYR 17 N 5.37 -3.93 -3.26 1.40 4.02 -0.00 -1.96 117.16 118.78 3knh n TYR 17 Ca -0.00 -0.53 -0.10 0.00 -0.01 0.00 0.00 57.90 57.26 3knh n TYR 17 Cb 0.50 -0.43 -0.05 0.00 -0.02 0.00 0.00 39.34 39.34 3knh n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3knh s ARG 18 N -4.20 0.75 -0.46 -0.72 0.52 -1.14 -2.53 118.95 111.17 3knh s ARG 18 Ca 0.32 -0.71 -0.46 0.00 -0.52 0.00 0.00 55.73 54.36 3knh s ARG 18 Cb -0.01 -0.40 -0.20 0.00 0.52 0.00 0.00 34.95 34.87 3knh s ARG 18 CO 0.22 -1.21 1.57 -0.89 0.02 0.00 0.00 175.30 175.01 3knh n ILE 19 N 4.15 0.01 -3.67 1.52 2.08 -0.19 -3.63 119.36 119.62 3knh n ILE 19 Ca 0.12 -0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.33 3knh n ILE 19 Cb 0.50 -0.49 -0.04 0.00 -0.75 0.00 0.00 39.64 38.86 3knh n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3knh s VAL 20 N 2.82 0.05 -0.16 1.39 0.11 -0.54 -0.88 120.40 123.19 3knh s VAL 20 Ca 1.04 -0.65 -0.20 0.00 -2.93 0.00 0.00 61.98 59.24 3knh s VAL 20 Cb -1.48 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 3knh s VAL 20 CO 0.80 -0.24 0.56 0.54 -3.33 0.00 0.00 175.10 173.43 3knh s VAL 21 N -3.83 5.09 0.00 2.04 0.11 -0.97 -2.30 120.40 120.54 3knh s VAL 21 Ca 0.06 1.08 0.00 0.00 -2.93 0.00 0.00 61.98 60.18 3knh s VAL 21 Cb 0.01 -3.89 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 3knh s VAL 21 CO -0.09 0.20 0.00 1.07 -3.33 0.00 0.00 175.10 172.96 3knh n THR 22 N 4.28 0.00 -3.49 5.04 5.66 0.80 -0.40 114.28 126.17 3knh n THR 22 Ca -0.04 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.69 3knh n THR 22 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 3knh n THR 22 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3knh s ASP 23 N 1.00 2.20 0.00 1.09 -1.08 -1.26 -2.93 116.67 115.68 3knh s ASP 23 Ca 0.00 -3.03 0.00 0.00 -0.52 0.00 0.00 52.55 49.00 3knh s ASP 23 Cb 0.00 -0.62 0.00 0.00 -1.46 0.00 0.00 42.92 40.84 3knh s ASP 23 CO 0.00 -0.18 0.00 0.00 0.52 0.00 0.00 175.17 175.51 3knh n ALA 24 N 2.92 0.00 0.00 3.66 0.00 -0.44 -0.41 120.51 126.25 3knh n ALA 24 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3knh n ALA 24 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3knh n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knh n ARG 25 N 0.00 0.00 -1.64 0.00 1.74 -1.26 -4.69 116.66 110.81 3knh n ARG 25 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 3knh n ARG 25 Cb 0.00 -1.18 0.11 0.00 -1.02 0.00 0.00 32.46 30.37 3knh n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3knh s ARG 26 N -1.08 1.60 0.36 5.56 1.81 0.46 -5.02 118.95 122.63 3knh s ARG 26 Ca 0.00 0.32 -0.14 0.00 -1.72 0.00 0.00 55.73 54.19 3knh s ARG 26 Cb 0.00 -1.89 -0.08 0.00 -0.45 0.00 0.00 34.95 32.53 3knh s ARG 26 CO 0.00 -1.89 0.77 -1.59 -0.68 0.00 0.00 175.30 171.91 3knh s LYS 27 N -5.33 3.96 0.00 3.54 -2.85 -1.26 -4.96 119.74 112.83 3knh s LYS 27 Ca 0.62 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 56.26 3knh s LYS 27 Cb -0.14 -2.39 0.00 0.00 -2.06 0.00 0.00 37.83 33.24 3knh s LYS 27 CO 0.52 0.08 0.64 -2.13 0.10 0.00 0.00 175.35 174.57 3knh n ARG 28 N -0.65 0.00 -0.38 1.78 0.63 -1.26 -1.27 116.66 115.50 3knh n ARG 28 Ca 0.04 0.64 -0.06 0.00 -0.92 0.00 0.00 57.85 57.55 3knh n ARG 28 Cb 0.53 -1.02 0.04 0.00 0.45 0.00 0.00 32.46 32.46 3knh n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3knh n ASP 29 N -2.17 3.86 -4.97 6.15 10.43 -1.26 -4.90 116.55 123.69 3knh n ASP 29 Ca 0.00 -2.46 -0.22 0.00 2.57 0.00 0.00 54.79 54.69 3knh n ASP 29 Cb 0.00 -0.71 0.03 0.00 1.84 0.00 0.00 41.12 42.28 3knh n ASP 29 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3knh s GLY 30 N 0.64 1.77 0.57 0.44 0.00 -0.40 -5.03 107.32 105.30 3knh s GLY 30 Ca 0.13 -1.25 -0.16 0.00 0.00 0.00 0.00 44.72 43.45 3knh s GLY 30 CO 0.02 -0.98 -0.27 1.17 0.00 0.00 0.00 173.10 173.03 3knh n LYS 31 N -2.31 0.00 0.00 2.90 4.81 -1.26 -4.90 118.16 117.40 3knh n LYS 31 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3knh n LYS 31 Cb 0.59 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 34.75 3knh n LYS 31 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 3knh n TYR 32 N -1.58 0.00 -0.03 5.64 -0.00 -1.26 -4.84 117.16 115.09 3knh n TYR 32 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.93 3knh n TYR 32 Cb 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.72 3knh n TYR 32 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 3knh n ILE 33 N 0.00 0.38 0.00 -3.48 2.08 0.47 -4.97 119.36 113.84 3knh n ILE 33 Ca 0.00 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.03 3knh n ILE 33 Cb 0.00 -0.53 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 3knh n ILE 33 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3knh n GLU 34 N -2.15 0.00 -2.07 0.38 2.13 -1.19 -5.01 120.64 112.72 3knh n GLU 34 Ca -0.09 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.32 3knh n GLU 34 Cb 0.61 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.30 3knh n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3knh s LYS 35 N 0.00 4.32 0.00 5.31 2.20 -1.26 -2.29 119.74 128.02 3knh s LYS 35 Ca 0.00 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 3knh s LYS 35 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 3knh s LYS 35 CO 0.00 -0.23 0.00 0.44 -0.36 0.00 0.00 175.35 175.20 3knh n ILE 36 N 0.78 0.00 -3.96 5.43 -5.35 -0.59 -4.92 119.36 110.75 3knh n ILE 36 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 3knh n ILE 36 Cb 0.41 -0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.11 3knh n ILE 36 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3knh s GLY 37 N -1.70 0.44 -0.04 3.28 0.00 -0.06 -1.74 107.32 107.50 3knh s GLY 37 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3knh s GLY 37 CO 0.00 -0.92 -0.09 -2.52 0.00 0.00 0.00 173.10 169.57 3knh s TYR 38 N -3.95 1.04 -0.09 1.90 -0.85 -1.11 -1.02 117.35 113.27 3knh s TYR 38 Ca 0.14 -0.30 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 3knh s TYR 38 Cb 0.04 -0.77 0.02 0.00 0.38 0.00 0.00 41.96 41.63 3knh s TYR 38 CO -0.03 -0.15 -0.09 -0.47 -1.52 0.00 0.00 175.55 173.28 3knh s TYR 39 N 0.41 1.44 -0.33 -3.49 5.04 -1.05 -3.48 117.35 115.88 3knh s TYR 39 Ca -0.07 -0.64 -0.03 0.00 -2.44 0.00 0.00 57.07 53.89 3knh s TYR 39 Cb -0.11 -1.14 0.06 0.00 0.35 0.00 0.00 41.96 41.11 3knh s TYR 39 CO 0.01 -0.41 0.07 0.34 -1.34 0.00 0.00 175.55 174.22 3knh s ASP 40 N 1.28 5.09 0.00 4.32 3.68 -1.14 -0.82 116.67 129.08 3knh s ASP 40 Ca -0.03 -1.36 0.00 0.00 2.13 0.00 0.00 52.55 53.29 3knh s ASP 40 Cb -0.14 -1.78 0.00 0.00 -1.45 0.00 0.00 42.92 39.55 3knh s ASP 40 CO -0.03 -0.33 0.43 -0.81 0.13 0.00 0.00 175.17 174.56 3knh n PRO 41 N 4.68 0.66 0.00 4.34 -0.04 -1.26 -3.56 135.00 139.82 3knh n PRO 41 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3knh n PRO 41 Cb 0.43 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 3knh n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knh n ARG 42 N 0.32 0.92 -3.28 0.54 1.74 -1.26 -5.02 116.66 110.62 3knh n ARG 42 Ca 0.00 -0.78 -0.20 0.00 -0.77 0.00 0.00 57.85 56.10 3knh n ARG 42 Cb 0.22 -0.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.95 3knh n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knh n LYS 43 N -0.16 -2.64 -0.80 5.56 4.01 -1.23 -4.79 118.16 118.11 3knh n LYS 43 Ca 0.00 0.29 -0.08 0.00 -0.51 0.00 0.00 58.31 58.01 3knh n LYS 43 Cb 0.38 -4.91 -0.07 0.00 -0.51 0.00 0.00 35.03 29.92 3knh n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3knh n THR 44 N -3.52 2.55 0.00 -0.18 -2.24 -1.26 -4.63 114.28 105.00 3knh n THR 44 Ca 0.00 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 3knh n THR 44 Cb 0.52 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 3knh n THR 44 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3knh n THR 45 N 1.74 0.00 0.42 4.28 5.66 -1.26 -4.96 114.28 120.16 3knh n THR 45 Ca 0.23 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.29 3knh n THR 45 Cb 0.67 0.00 0.26 0.00 -1.55 0.00 0.00 70.33 69.71 3knh n THR 45 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3knh n PRO 46 N -1.36 0.01 -1.13 1.09 -0.04 -1.26 -2.74 135.00 129.58 3knh n PRO 46 Ca 0.00 0.29 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 3knh n PRO 46 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3knh n PRO 46 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3knh n ASP 47 N -1.49 6.46 -0.88 3.54 8.00 -1.26 -4.37 116.55 126.56 3knh n ASP 47 Ca 0.03 -3.11 0.07 0.00 0.71 0.00 0.00 54.79 52.49 3knh n ASP 47 Cb 0.14 -1.13 0.20 0.00 -0.02 0.00 0.00 41.12 40.31 3knh n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3knh n TRP 48 N 0.59 0.66 -3.15 1.24 4.27 -1.11 -4.75 117.44 115.19 3knh n TRP 48 Ca 0.38 -0.31 0.05 0.00 -3.89 0.00 0.00 57.50 53.73 3knh n TRP 48 Cb 0.58 -0.03 -0.00 0.00 -1.36 0.00 0.00 31.31 30.50 3knh n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3knh s LEU 49 N -1.06 -0.80 0.07 5.67 2.96 -1.26 -2.88 118.68 121.38 3knh s LEU 49 Ca 0.30 0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.40 3knh s LEU 49 Cb 0.17 1.51 -0.03 0.00 0.50 0.00 0.00 46.19 48.33 3knh s LEU 49 CO 0.20 -0.15 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.09 3knh s LYS 50 N 2.92 1.47 -0.12 1.98 2.36 -1.23 -5.05 119.74 122.07 3knh s LYS 50 Ca 0.22 -1.12 -0.05 0.00 -2.55 0.00 0.00 55.97 52.47 3knh s LYS 50 Cb -0.04 -1.71 0.05 0.00 -1.05 0.00 0.00 37.83 35.08 3knh s LYS 50 CO -0.24 0.43 0.26 0.08 1.55 0.00 0.00 175.35 177.43 3knh s VAL 51 N -0.92 -0.19 -0.77 4.02 1.01 -1.26 -2.76 120.40 119.53 3knh s VAL 51 Ca 0.10 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 3knh s VAL 51 Cb -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3knh s VAL 51 CO 0.03 0.08 1.63 -0.62 0.00 0.00 0.00 175.10 176.23 3knh s ASP 52 N 1.73 5.71 0.05 3.32 3.68 -0.71 -4.78 116.67 125.68 3knh s ASP 52 Ca -0.05 -0.36 -0.16 0.00 2.13 0.00 0.00 52.55 54.10 3knh s ASP 52 Cb -0.11 -2.55 -0.19 0.00 -1.45 0.00 0.00 42.92 38.62 3knh s ASP 52 CO -0.09 -2.14 1.22 0.58 0.13 0.00 0.00 175.17 174.87 3knh h VAL 53 N 6.68 1.34 -1.17 1.11 2.07 -1.97 -2.74 116.25 121.58 3knh h VAL 53 Ca -0.13 -1.94 0.36 0.00 0.82 0.00 0.00 66.70 65.80 3knh h VAL 53 Cb 1.08 2.22 -0.12 0.00 -1.52 0.00 0.00 31.29 32.95 3knh h VAL 53 CO 1.27 0.59 0.74 -0.33 0.02 0.00 0.00 177.57 179.86 3knh h GLU 54 N 0.22 0.22 0.20 1.57 4.39 -2.01 -1.94 114.58 117.23 3knh h GLU 54 Ca -0.06 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3knh h GLU 54 Cb 1.30 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3knh h GLU 54 CO 0.13 0.15 -0.10 0.00 -1.16 0.00 0.00 179.01 178.03 3knh h ARG 55 N 0.23 -0.26 -0.44 2.33 2.47 -1.93 -3.37 114.38 113.41 3knh h ARG 55 Ca 0.72 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 59.53 3knh h ARG 55 Cb 2.05 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 30.36 3knh h ARG 55 CO -0.40 -0.04 -0.18 0.00 0.56 0.00 0.00 179.97 179.92 3knh n ALA 56 N -2.71 -0.07 0.02 0.04 0.00 -0.73 -0.00 120.51 117.06 3knh n ALA 56 Ca -0.05 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.72 3knh n ALA 56 Cb 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 3knh n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knh h ARG 57 N 0.00 -0.36 -0.52 0.00 2.47 -1.71 -2.22 114.38 112.04 3knh h ARG 57 Ca 0.15 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.97 3knh h ARG 57 Cb 0.26 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 28.56 3knh h ARG 57 CO -0.44 -0.24 -0.45 -0.92 0.56 0.00 0.00 179.97 178.48 3knh h TYR 58 N -0.37 -1.33 0.00 3.04 5.03 -0.58 1.51 116.97 124.26 3knh h TYR 58 Ca 0.09 0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 3knh h TYR 58 Cb 0.50 0.66 -0.00 0.00 1.55 0.00 0.00 36.73 39.43 3knh h TYR 58 CO -0.35 -0.44 -0.03 -1.49 -1.32 0.00 0.00 178.16 174.54 3knh h TRP 59 N -0.27 0.00 0.12 -3.82 4.06 -1.50 -0.40 115.95 114.14 3knh h TRP 59 Ca 0.16 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.89 3knh h TRP 59 Cb 0.57 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.75 3knh h TRP 59 CO -0.70 0.03 -0.92 -0.07 -3.56 0.00 0.00 178.44 173.23 3knh h LEU 60 N 0.00 0.61 -0.74 -4.49 3.38 0.91 -2.81 115.31 112.17 3knh h LEU 60 Ca -0.00 -0.88 0.02 0.00 0.09 0.00 0.00 57.88 57.11 3knh h LEU 60 Cb 0.18 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3knh h LEU 60 CO 0.00 1.43 0.47 0.77 0.09 0.00 0.00 178.44 181.21 3knh h SER 61 N -0.13 0.79 -0.45 -0.43 4.64 0.30 -1.03 113.55 117.25 3knh h SER 61 Ca -0.15 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 60.90 3knh h SER 61 Cb 1.67 -0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 63.45 3knh h SER 61 CO 0.17 0.55 0.34 1.33 -0.87 0.00 0.00 176.83 178.36 3knh n VAL 62 N -4.62 2.31 -2.50 0.95 0.24 -0.29 -4.92 118.33 109.51 3knh n VAL 62 Ca 0.08 -1.17 -0.03 0.00 -2.04 0.00 0.00 64.34 61.18 3knh n VAL 62 Cb 0.07 -1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 31.40 3knh n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knh n GLY 63 N 0.04 -5.30 2.63 7.63 0.00 -0.39 -5.00 105.19 104.79 3knh n GLY 63 Ca 0.27 0.99 -0.12 0.00 0.00 0.00 0.00 46.02 47.17 3knh n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knh n ALA 64 N 1.82 -0.33 -1.65 4.61 0.00 -1.06 -4.71 120.51 119.19 3knh n ALA 64 Ca -0.22 -1.75 -0.48 0.00 0.00 0.00 0.00 53.44 50.98 3knh n ALA 64 Cb 0.35 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 3knh n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3knh n GLN 65 N 2.67 2.00 -0.02 0.00 1.13 -1.26 -4.68 117.38 117.22 3knh n GLN 65 Ca 0.20 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.97 3knh n GLN 65 Cb 0.55 -2.66 0.00 0.00 0.11 0.00 0.00 30.24 28.23 3knh n GLN 65 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3knh n PRO 66 N 7.02 0.20 -3.54 -1.09 -0.02 -1.26 -4.25 135.00 132.06 3knh n PRO 66 Ca 0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.45 3knh n PRO 66 Cb 0.30 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.74 3knh n PRO 66 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3knh s THR 67 N -0.78 5.11 0.00 3.45 2.01 -0.91 -4.89 115.64 119.63 3knh s THR 67 Ca 0.00 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.95 3knh s THR 67 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.81 3knh s THR 67 CO 0.00 -0.17 0.56 0.47 -0.69 0.00 0.00 174.62 174.79 3knh n ASP 68 N -0.55 0.00 0.20 3.53 8.00 -1.26 0.24 116.55 126.72 3knh n ASP 68 Ca -0.03 0.56 0.07 0.00 0.71 0.00 0.00 54.79 56.10 3knh n ASP 68 Cb 0.53 -0.06 0.37 0.00 -0.02 0.00 0.00 41.12 41.94 3knh n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knh h THR 69 N 0.00 0.00 0.00 -3.53 1.03 -2.01 -2.57 112.91 105.84 3knh h THR 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3knh h THR 69 Cb 0.00 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 67.38 3knh h THR 69 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.51 3knh n ALA 70 N -1.57 0.00 -0.13 0.00 0.00 0.14 -3.89 120.51 115.06 3knh n ALA 70 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.54 3knh n ALA 70 Cb 0.42 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.08 3knh n ALA 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knh n ARG 71 N -0.25 -0.02 -0.28 0.00 0.63 -0.16 0.16 116.66 116.74 3knh n ARG 71 Ca 0.00 0.54 0.10 0.00 -0.92 0.00 0.00 57.85 57.57 3knh n ARG 71 Cb 0.00 -0.95 0.24 0.00 0.45 0.00 0.00 32.46 32.19 3knh n ARG 71 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3knh h ARG 72 N 0.00 0.17 0.00 -0.14 2.43 -1.65 2.10 114.38 117.29 3knh h ARG 72 Ca 0.31 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3knh h ARG 72 Cb 0.81 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3knh h ARG 72 CO -0.31 0.11 -0.20 -0.07 -1.51 0.00 0.00 179.97 177.99 3knh h LEU 73 N 0.18 0.00 0.00 3.80 3.38 0.14 0.49 115.31 123.30 3knh h LEU 73 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3knh h LEU 73 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3knh h LEU 73 CO -0.65 0.20 -1.14 0.18 0.09 0.00 0.00 178.44 177.12 3knh n LEU 74 N -3.54 0.60 -0.01 1.67 4.77 0.23 -3.03 117.00 117.70 3knh n LEU 74 Ca -0.01 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3knh n LEU 74 Cb 0.35 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3knh n LEU 74 CO 0.32 -0.04 0.43 -0.09 -1.33 0.00 0.00 177.39 176.68 3knh h ARG 75 N 0.00 -0.08 -0.02 3.23 2.43 0.40 0.65 114.38 120.99 3knh h ARG 75 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3knh h ARG 75 Cb 0.86 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3knh h ARG 75 CO 0.00 0.50 0.00 0.94 -1.51 0.00 0.00 179.97 179.90 3knh n GLN 76 N -4.81 0.74 0.00 0.20 7.27 0.16 0.13 117.38 121.07 3knh n GLN 76 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3knh n GLN 76 Cb 0.31 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 31.95 3knh n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3knh n ALA 77 N -0.48 1.70 -3.15 1.69 0.00 -1.05 -5.02 120.51 114.20 3knh n ALA 77 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 3knh n ALA 77 Cb 0.01 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.48 3knh n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knh n GLY 78 N 0.48 -0.69 0.02 0.00 0.00 0.34 -4.91 105.19 100.44 3knh n GLY 78 Ca 0.00 1.20 0.02 0.00 0.00 0.00 0.00 46.02 47.24 3knh n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knh n VAL 79 N -0.21 0.22 -0.04 1.61 0.31 0.33 -4.35 118.33 116.20 3knh n VAL 79 Ca 0.02 -0.31 0.01 0.00 -0.01 0.00 0.00 64.34 64.05 3knh n VAL 79 Cb 0.55 -0.06 0.19 0.00 -0.91 0.00 0.00 33.84 33.61 3knh n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3knh n PHE 80 N -2.04 1.21 -4.29 3.52 3.01 -1.26 -4.90 117.46 112.71 3knh n PHE 80 Ca -0.07 -0.54 -0.35 0.00 1.01 0.00 0.00 57.45 57.51 3knh n PHE 80 Cb 0.46 -0.38 -0.10 0.00 -0.01 0.00 0.00 39.48 39.46 3knh n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3knh s ARG 81 N -1.90 3.33 -0.18 -1.08 3.52 -1.26 -5.02 118.95 116.36 3knh s ARG 81 Ca 0.29 -0.41 0.13 0.00 -0.13 0.00 0.00 55.73 55.62 3knh s ARG 81 Cb 0.23 -2.91 -0.20 0.00 -1.56 0.00 0.00 34.95 30.50 3knh s ARG 81 CO 0.08 0.53 0.02 0.00 -0.81 0.00 0.00 175.30 175.12 3knh n GLN 82 N 2.68 1.10 0.00 5.12 0.00 -1.26 -4.99 117.38 120.03 3knh n GLN 82 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 57.00 56.83 3knh n GLN 82 Cb 0.53 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.33 3knh n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3knh n GLU 83 N -2.71 0.00 0.00 2.61 -0.58 -1.26 -5.28 120.64 113.42 3knh n GLU 83 Ca -0.30 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 3knh n GLU 83 Cb 1.04 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.91 3knh n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65