#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh n ARG 3 N 0.00 -2.69 0.00 1.61 -4.01 -1.26 -4.50 116.66 105.81 3knh n ARG 3 Ca 0.00 0.32 0.00 0.00 -1.04 0.00 0.00 57.85 57.13 3knh n ARG 3 Cb 0.00 -4.92 0.00 0.00 -3.04 0.00 0.00 32.46 24.50 3knh n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 3knh n TYR 4 N -3.35 0.00 0.00 2.89 9.36 -1.26 -4.91 117.16 119.89 3knh n TYR 4 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 3knh n TYR 4 Cb 0.54 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 3knh n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3knh n ILE 5 N 0.00 -0.09 0.00 2.97 5.41 -1.26 -5.11 119.36 121.28 3knh n ILE 5 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3knh n ILE 5 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3knh n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knh n GLY 6 N -0.37 -0.62 3.47 7.39 0.00 -1.26 -5.03 105.19 108.76 3knh n GLY 6 Ca 0.00 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 3knh n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knh n PRO 7 N -0.19 0.52 0.00 1.61 -0.02 -1.26 -4.95 135.00 130.70 3knh n PRO 7 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3knh n PRO 7 Cb 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3knh n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3knh n VAL 8 N -1.70 0.00 -0.81 -1.45 0.31 -1.26 -4.76 118.33 108.66 3knh n VAL 8 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.12 3knh n VAL 8 Cb 0.47 -0.63 -0.05 0.00 -0.91 0.00 0.00 33.84 32.72 3knh n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knh n ARG 10 N 6.07 3.45 0.00 0.00 0.63 -1.26 -4.71 116.66 120.84 3knh n ARG 10 Ca 0.42 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 3knh n ARG 10 Cb 0.28 -0.40 0.00 0.00 0.45 0.00 0.00 32.46 32.79 3knh n ARG 10 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3knh n LEU 11 N -0.14 1.08 0.22 6.15 -0.00 0.41 -4.41 117.00 120.32 3knh n LEU 11 Ca 0.00 -1.08 0.06 0.00 -0.00 0.00 0.00 56.01 54.99 3knh n LEU 11 Cb 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 43.93 3knh n LEU 11 CO 0.00 0.27 0.87 0.00 -0.00 0.00 0.00 177.39 178.53 3knh n ARG 13 N -4.12 3.00 0.00 0.00 1.85 -1.26 -3.21 116.66 112.91 3knh n ARG 13 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 3knh n ARG 13 Cb 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 3knh n ARG 13 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3knh n ARG 14 N -0.09 0.00 0.06 2.89 3.00 -1.26 -4.16 116.66 117.09 3knh n ARG 14 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 3knh n ARG 14 Cb 0.00 -0.25 0.31 0.00 0.00 0.00 0.00 32.46 32.52 3knh n ARG 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3knh n GLU 15 N 0.00 0.20 0.00 -0.14 4.71 -1.26 -4.83 120.64 119.33 3knh n GLU 15 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 3knh n GLU 15 Cb 0.00 -1.67 0.00 0.00 -1.01 0.00 0.00 31.44 28.76 3knh n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3knh n GLY 16 N 1.37 1.79 3.37 0.62 0.00 -1.26 -4.96 105.19 106.12 3knh n GLY 16 Ca 0.05 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 3knh n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knh n VAL 17 N 0.00 1.28 -2.75 1.61 0.31 -1.26 -4.74 118.33 112.78 3knh n VAL 17 Ca 0.00 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.45 3knh n VAL 17 Cb 0.00 -0.18 -0.06 0.00 -0.91 0.00 0.00 33.84 32.69 3knh n VAL 17 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3knh s LYS 18 N -1.18 4.66 0.07 5.55 2.20 -1.25 -4.47 119.74 125.32 3knh s LYS 18 Ca 0.61 1.40 0.07 0.00 -0.36 0.00 0.00 55.97 57.70 3knh s LYS 18 Cb -0.69 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 3knh s LYS 18 CO 0.60 0.34 -0.19 -0.51 -0.36 0.00 0.00 175.35 175.22 3knh s LEU 19 N -1.77 2.24 -0.92 5.43 1.02 -1.20 -5.05 118.68 118.43 3knh s LEU 19 Ca 0.47 -0.60 -0.00 0.00 0.02 0.00 0.00 54.13 54.02 3knh s LEU 19 Cb -0.22 -0.85 0.29 0.00 0.02 0.00 0.00 46.19 45.44 3knh s LEU 19 CO 0.27 0.08 1.21 -1.22 0.02 0.00 0.00 176.35 176.70 3knh n TYR 20 N 1.45 2.80 1.08 0.29 4.02 -1.26 -4.73 117.16 120.81 3knh n TYR 20 Ca -0.19 -3.18 0.12 0.00 -0.01 0.00 0.00 57.90 54.64 3knh n TYR 20 Cb 0.54 -1.00 0.14 0.00 -0.02 0.00 0.00 39.34 38.99 3knh n TYR 20 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3knh n LEU 21 N 1.16 1.22 -0.01 7.72 4.77 -1.26 -4.33 117.00 126.28 3knh n LEU 21 Ca 0.27 -0.41 0.08 0.00 -0.03 0.00 0.00 56.01 55.93 3knh n LEU 21 Cb 0.36 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 3knh n LEU 21 CO 0.61 0.25 -0.62 0.29 -1.33 0.00 0.00 177.39 176.58 3knh n LYS 22 N -0.80 0.64 0.00 3.23 5.02 -1.26 -4.68 118.16 120.31 3knh n LYS 22 Ca 0.08 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3knh n LYS 22 Cb 0.38 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3knh n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knh n GLY 23 N 1.51 1.07 0.10 0.72 0.00 -1.23 -4.08 105.19 103.28 3knh n GLY 23 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3knh n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knh n GLU 24 N 0.00 0.35 0.03 1.61 -0.58 -1.26 -4.48 120.64 116.30 3knh n GLU 24 Ca 0.00 0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.63 3knh n GLU 24 Cb 0.00 -1.26 -0.12 0.00 -0.57 0.00 0.00 31.44 29.49 3knh n GLU 24 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3knh h ARG 25 N -0.03 0.47 0.00 3.49 2.43 -1.97 -3.15 114.38 115.62 3knh h ARG 25 Ca -0.31 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.29 3knh h ARG 25 Cb 1.47 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 3knh h ARG 25 CO -0.06 1.21 0.36 0.00 -1.51 0.00 0.00 179.97 179.97 3knh n TYR 27 N -2.65 0.06 -2.04 0.00 0.53 -1.20 -4.63 117.16 107.22 3knh n TYR 27 Ca -0.02 0.02 -0.29 0.00 -1.02 0.00 0.00 57.90 56.59 3knh n TYR 27 Cb 0.39 -0.19 0.04 0.00 -1.03 0.00 0.00 39.34 38.55 3knh n TYR 27 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3knh s SER 28 N -3.41 5.53 0.00 7.72 0.01 0.11 -4.89 113.70 118.77 3knh s SER 28 Ca 0.05 1.02 -0.05 0.00 1.31 0.00 0.00 55.95 58.28 3knh s SER 28 Cb 0.16 -1.89 -0.23 0.00 0.21 0.00 0.00 66.02 64.26 3knh s SER 28 CO 0.84 -1.23 3.27 -0.81 0.41 0.00 0.00 173.24 175.72 3knh n PRO 29 N -2.86 1.77 -0.80 12.44 -0.04 -1.26 -3.13 135.00 141.11 3knh n PRO 29 Ca 0.06 -0.86 -0.04 0.00 -0.04 0.00 0.00 63.50 62.61 3knh n PRO 29 Cb 0.57 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 3knh n PRO 29 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3knh n LYS 30 N 2.49 0.00 0.00 0.54 2.85 -1.26 -4.85 118.16 117.93 3knh n LYS 30 Ca 0.37 -0.64 0.00 0.00 -1.05 0.00 0.00 58.31 56.99 3knh n LYS 30 Cb 0.82 0.44 0.00 0.00 -0.65 0.00 0.00 35.03 35.63 3knh n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3knh n ALA 32 N 0.10 -0.09 -0.09 0.00 0.00 -1.26 -4.72 120.51 114.45 3knh n ALA 32 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 3knh n ALA 32 Cb 0.19 -1.61 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 3knh n ALA 32 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3knh n MET 33 N -0.05 0.89 0.06 0.00 0.00 -1.26 -2.44 117.12 114.31 3knh n MET 33 Ca -0.06 0.06 0.13 0.00 -0.00 0.00 0.00 57.70 57.83 3knh n MET 33 Cb 0.53 -1.42 0.49 0.00 0.00 0.00 0.00 33.22 32.82 3knh n MET 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3knh n GLU 34 N -2.88 0.13 -0.12 2.12 4.71 -1.26 -3.50 120.64 119.83 3knh n GLU 34 Ca -0.33 0.15 -0.19 0.00 -0.01 0.00 0.00 57.16 56.79 3knh n GLU 34 Cb 0.96 -1.67 -0.11 0.00 -1.01 0.00 0.00 31.44 29.62 3knh n GLU 34 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3knh n ARG 35 N -1.90 0.60 -3.45 3.49 1.74 -1.26 -4.86 116.66 111.02 3knh n ARG 35 Ca 0.06 0.16 -0.27 0.00 -0.77 0.00 0.00 57.85 57.03 3knh n ARG 35 Cb 0.35 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 3knh n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knh n ARG 36 N -3.41 0.46 0.00 5.56 1.74 -1.02 -4.99 116.66 115.00 3knh n ARG 36 Ca -0.45 -3.37 0.00 0.00 -0.77 0.00 0.00 57.85 53.26 3knh n ARG 36 Cb 0.94 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3knh n ARG 36 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3knh n PRO 37 N 2.62 0.31 -3.98 5.56 -0.04 -1.23 -4.66 135.00 133.58 3knh n PRO 37 Ca 0.28 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 3knh n PRO 37 Cb 0.46 -1.29 -0.13 0.00 -0.04 0.00 0.00 33.50 32.50 3knh n PRO 37 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3knh s TYR 38 N 0.20 0.25 0.62 0.54 -0.85 -1.26 -4.93 117.35 111.91 3knh s TYR 38 Ca 0.00 -0.20 -0.12 0.00 -0.52 0.00 0.00 57.07 56.23 3knh s TYR 38 Cb 0.00 -0.16 -0.10 0.00 0.38 0.00 0.00 41.96 42.08 3knh s TYR 38 CO 0.00 -0.05 -0.45 -2.30 -1.52 0.00 0.00 175.55 171.22 3knh n PRO 39 N 2.52 0.00 -2.15 -3.49 -0.02 -1.21 -4.58 135.00 126.07 3knh n PRO 39 Ca -0.16 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.04 3knh n PRO 39 Cb 0.58 -0.70 0.17 0.00 -0.02 0.00 0.00 33.50 33.53 3knh n PRO 39 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3knh s PRO 40 N -1.23 0.82 0.00 0.52 0.04 -1.26 -4.22 135.00 129.67 3knh s PRO 40 Ca 0.31 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.63 3knh s PRO 40 Cb -0.18 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3knh s PRO 40 CO 0.55 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.80 3knh n GLY 41 N -3.52 -2.44 0.63 0.56 0.00 -1.26 -3.92 105.19 95.24 3knh n GLY 41 Ca 0.16 -1.46 0.48 0.00 0.00 0.00 0.00 46.02 45.19 3knh n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3knh n GLN 42 N -2.05 -0.00 -2.42 1.61 7.27 -1.26 -0.14 117.38 120.38 3knh n GLN 42 Ca 0.00 0.96 -0.23 0.00 0.07 0.00 0.00 57.00 57.80 3knh n GLN 42 Cb 0.00 -2.22 0.01 0.00 2.41 0.00 0.00 30.24 30.44 3knh n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3knh n HIS 43 N -3.70 2.93 0.68 3.69 8.25 -1.26 -4.81 115.22 121.00 3knh n HIS 43 Ca 0.40 -2.86 0.13 0.00 -0.26 0.00 0.00 57.72 55.12 3knh n HIS 43 Cb 1.80 -0.17 0.40 0.00 1.12 0.00 0.00 29.99 33.14 3knh n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knh n GLY 44 N -0.48 -1.64 2.22 -1.41 0.00 0.80 -4.11 105.19 100.58 3knh n GLY 44 Ca 0.35 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 3knh n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knh n GLN 45 N -2.12 0.97 -4.15 1.61 10.64 -1.26 -3.32 117.38 119.74 3knh n GLN 45 Ca 0.05 -3.40 -0.15 0.00 -1.83 0.00 0.00 57.00 51.67 3knh n GLN 45 Cb 0.42 -1.46 -0.13 0.00 -0.86 0.00 0.00 30.24 28.21 3knh n GLN 45 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 3knh s LYS 46 N -1.73 0.57 -0.44 2.61 2.20 -1.26 -5.07 119.74 116.62 3knh s LYS 46 Ca 0.37 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 55.13 3knh s LYS 46 Cb 0.23 -0.46 -0.14 0.00 -1.51 0.00 0.00 37.83 35.95 3knh s LYS 46 CO -0.10 0.11 1.62 -2.13 -0.36 0.00 0.00 175.35 174.50 3knh n ARG 47 N 2.07 0.00 -1.12 4.03 0.63 -1.26 -4.88 116.66 116.13 3knh n ARG 47 Ca -0.18 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.45 3knh n ARG 47 Cb 0.56 -1.07 0.15 0.00 0.45 0.00 0.00 32.46 32.55 3knh n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knh s ALA 48 N 4.80 1.35 0.00 5.13 0.00 -1.26 -5.06 121.76 126.72 3knh s ALA 48 Ca 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3knh s ALA 48 Cb -1.03 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 18.88 3knh s ALA 48 CO 0.44 -2.52 0.00 0.54 0.00 0.00 0.00 175.76 174.22 3knh n ARG 49 N -4.00 2.42 -3.25 0.00 5.12 -1.26 -5.11 116.66 110.58 3knh n ARG 49 Ca 0.07 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.59 3knh n ARG 49 Cb 0.55 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.78 3knh n ARG 49 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3knh s ARG 50 N 0.83 4.15 -0.14 5.56 3.00 -1.26 -5.05 118.95 126.05 3knh s ARG 50 Ca 0.00 0.38 -0.23 0.00 -1.00 0.00 0.00 55.73 54.87 3knh s ARG 50 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 34.95 31.33 3knh s ARG 50 CO 0.00 -0.21 0.73 -2.14 0.00 0.00 0.00 175.30 173.68 3knh s PRO 51 N 1.84 4.32 0.57 5.12 0.02 -1.26 -5.03 135.00 140.59 3knh s PRO 51 Ca 0.23 0.85 -0.20 0.00 0.02 0.00 0.00 61.00 61.91 3knh s PRO 51 Cb -0.15 -3.53 -0.05 0.00 0.02 0.00 0.00 34.50 30.78 3knh s PRO 51 CO 0.09 -0.17 1.06 -1.13 -0.33 0.00 0.00 177.00 176.52 3knh n SER 52 N 4.67 1.24 -0.34 2.53 3.41 -1.26 -4.70 113.62 119.17 3knh n SER 52 Ca 0.01 0.87 0.28 0.00 -0.26 0.00 0.00 58.87 59.76 3knh n SER 52 Cb 0.50 -1.43 0.53 0.00 -0.26 0.00 0.00 64.21 63.55 3knh n SER 52 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3knh h ASP 53 N 0.78 0.42 -0.74 4.04 5.19 -2.02 2.36 116.42 126.46 3knh h ASP 53 Ca -0.48 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 3knh h ASP 53 Cb 1.35 0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.99 3knh h ASP 53 CO 0.53 -0.22 0.48 0.22 -3.12 0.00 0.00 179.24 177.12 3knh h TYR 54 N 0.20 0.95 -0.92 4.55 3.20 -1.99 -2.56 116.97 120.40 3knh h TYR 54 Ca 0.78 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.83 3knh h TYR 54 Cb 1.95 -0.32 -0.17 0.00 1.54 0.00 0.00 36.73 39.74 3knh h TYR 54 CO -0.01 0.61 -0.27 0.00 -1.64 0.00 0.00 178.16 176.85 3knh h ALA 55 N 1.26 0.47 0.69 1.82 0.00 0.37 0.27 119.26 124.15 3knh h ALA 55 Ca 0.27 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 3knh h ALA 55 Cb -0.09 0.78 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3knh h ALA 55 CO -0.06 -0.46 -0.33 0.28 0.00 0.00 0.00 179.25 178.68 3knh h VAL 56 N -0.01 0.10 -0.64 0.00 2.07 -1.35 -1.50 116.25 114.93 3knh h VAL 56 Ca 0.41 -0.29 0.18 0.00 0.82 0.00 0.00 66.70 67.83 3knh h VAL 56 Cb 0.65 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3knh h VAL 56 CO -0.95 0.01 0.68 0.03 0.02 0.00 0.00 177.57 177.37 3knh h ARG 57 N -1.19 0.00 0.00 1.57 3.08 -0.91 0.71 114.38 117.64 3knh h ARG 57 Ca -0.09 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.73 3knh h ARG 57 Cb 0.73 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 3knh h ARG 57 CO 0.16 0.00 -1.50 1.25 -1.07 0.00 0.00 179.97 178.81 3knh h LEU 58 N 0.00 0.00 0.16 3.04 7.12 -0.41 -3.34 115.31 121.88 3knh h LEU 58 Ca 0.30 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 58.07 3knh h LEU 58 Cb 1.66 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 41.81 3knh h LEU 58 CO -0.00 0.80 -1.13 0.03 -0.13 0.00 0.00 178.44 178.00 3knh h ARG 59 N 0.00 0.35 0.00 1.25 2.47 0.15 -2.86 114.38 115.74 3knh h ARG 59 Ca -0.21 -0.60 -0.04 0.00 -1.26 0.00 0.00 59.98 57.88 3knh h ARG 59 Cb 1.79 0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 30.33 3knh h ARG 59 CO 0.07 1.29 -0.17 1.49 0.56 0.00 0.00 179.97 183.21 3knh h GLU 60 N -0.22 0.00 0.00 0.04 4.57 -1.40 -0.78 114.58 116.79 3knh h GLU 60 Ca -0.21 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 3knh h GLU 60 Cb 1.81 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.40 3knh h GLU 60 CO 0.16 0.17 -0.22 -0.22 -1.18 0.00 0.00 179.01 177.72 3knh h LYS 61 N 0.00 0.00 0.02 1.92 3.11 -1.68 -2.70 116.57 117.24 3knh h LYS 61 Ca -0.00 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.72 3knh h LYS 61 Cb 0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 3knh h LYS 61 CO 0.02 0.07 -0.63 1.96 -2.81 0.00 0.00 179.45 178.06 3knh h GLN 62 N 0.00 0.05 0.00 1.90 1.08 -1.17 -3.16 115.11 113.82 3knh h GLN 62 Ca -0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3knh h GLN 62 Cb 1.06 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3knh h GLN 62 CO 0.01 1.04 0.00 1.17 -0.95 0.00 0.00 178.83 180.10 3knh n LYS 63 N -4.44 0.00 -0.32 1.46 4.81 -0.35 0.28 118.16 119.60 3knh n LYS 63 Ca -0.19 0.54 -0.08 0.00 -0.87 0.00 0.00 58.31 57.70 3knh n LYS 63 Cb 0.62 -1.09 -0.08 0.00 0.02 0.00 0.00 35.03 34.50 3knh n LYS 63 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3knh n LEU 64 N -1.30 -0.81 0.00 3.14 7.94 -1.02 -1.01 117.00 123.94 3knh n LEU 64 Ca 0.00 1.46 0.00 0.00 -1.11 0.00 0.00 56.01 56.36 3knh n LEU 64 Cb 0.00 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 43.72 3knh n LEU 64 CO 0.00 -1.16 0.40 -1.14 -1.11 0.00 0.00 177.39 174.38 3knh n ARG 65 N -4.81 0.00 0.07 1.96 0.63 -1.06 -0.85 116.66 112.60 3knh n ARG 65 Ca 0.02 0.68 0.16 0.00 -0.92 0.00 0.00 57.85 57.78 3knh n ARG 65 Cb 0.20 -1.29 0.36 0.00 0.45 0.00 0.00 32.46 32.17 3knh n ARG 65 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knh h ARG 66 N 0.00 0.00 0.72 -0.14 3.08 0.13 0.68 114.38 118.85 3knh h ARG 66 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3knh h ARG 66 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3knh h ARG 66 CO 0.00 0.00 -0.35 0.82 -1.07 0.00 0.00 179.97 179.37 3knh h ILE 67 N 0.00 0.00 0.00 2.04 2.04 0.76 -2.45 117.51 119.91 3knh h ILE 67 Ca 0.23 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3knh h ILE 67 Cb 2.16 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3knh h ILE 67 CO -0.00 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.93 3knh n TYR 68 N -4.91 0.00 -3.27 1.37 4.02 0.23 -4.76 117.16 109.84 3knh n TYR 68 Ca -0.12 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.53 3knh n TYR 68 Cb 0.38 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 39.63 3knh n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knh n GLY 69 N 0.23 -0.27 3.96 2.72 0.00 -0.92 -4.84 105.19 106.06 3knh n GLY 69 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3knh n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3knh s ILE 70 N -2.31 5.18 0.62 -0.61 2.07 -1.26 -4.44 121.20 120.45 3knh s ILE 70 Ca 0.48 -0.72 -0.16 0.00 -1.41 0.00 0.00 60.65 58.84 3knh s ILE 70 Cb -0.28 -3.86 -0.02 0.00 0.13 0.00 0.00 42.46 38.43 3knh s ILE 70 CO 0.59 -0.44 1.11 -0.94 -1.91 0.00 0.00 174.94 173.34 3knh s SER 71 N -3.98 5.36 0.11 4.50 1.04 -1.26 -4.77 113.70 114.70 3knh s SER 71 Ca 0.37 2.01 -0.13 0.00 0.48 0.00 0.00 55.95 58.69 3knh s SER 71 Cb -0.09 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.37 3knh s SER 71 CO 0.32 -1.46 1.38 -0.08 0.98 0.00 0.00 173.24 174.39 3knh h GLU 72 N 0.38 0.84 -0.42 4.02 4.57 -1.98 -2.45 114.58 119.53 3knh h GLU 72 Ca -0.48 -0.54 0.09 0.00 -1.18 0.00 0.00 59.36 57.25 3knh h GLU 72 Cb 1.25 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.82 3knh h GLU 72 CO 0.55 1.17 -0.12 -0.09 -1.18 0.00 0.00 179.01 179.35 3knh h ARG 73 N 0.60 -0.02 0.08 1.92 9.65 -2.00 0.74 114.38 125.36 3knh h ARG 73 Ca 0.01 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3knh h ARG 73 Cb 1.15 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3knh h ARG 73 CO 0.12 -0.01 -0.05 1.96 2.80 0.00 0.00 179.97 184.79 3knh h GLN 74 N -0.02 -0.13 -1.24 0.20 4.20 -1.95 -1.23 115.11 114.94 3knh h GLN 74 Ca 0.20 0.01 0.36 0.00 0.06 0.00 0.00 58.65 59.28 3knh h GLN 74 Cb 0.33 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 3knh h GLN 74 CO -0.45 -0.08 0.91 0.35 -0.67 0.00 0.00 178.83 178.90 3knh h PHE 75 N -0.13 0.00 0.00 2.96 3.57 -0.42 -0.21 116.94 122.71 3knh h PHE 75 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3knh h PHE 75 Cb 0.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3knh h PHE 75 CO -0.08 0.00 -0.34 -0.09 -2.23 0.00 0.00 178.31 175.57 3knh h ARG 76 N 0.00 0.00 -0.88 1.11 9.65 -0.48 -1.62 114.38 122.16 3knh h ARG 76 Ca 0.59 0.00 0.28 0.00 -1.10 0.00 0.00 59.98 59.75 3knh h ARG 76 Cb 2.41 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 30.83 3knh h ARG 76 CO -0.01 0.00 0.14 0.09 2.80 0.00 0.00 179.97 182.99 3knh n ASN 77 N -4.15 0.01 0.22 -3.80 3.02 -0.53 0.14 115.26 110.18 3knh n ASN 77 Ca -0.05 1.48 -0.12 0.00 -0.03 0.00 0.00 54.58 55.86 3knh n ASN 77 Cb 0.18 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.69 3knh n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3knh h LEU 78 N 0.00 -0.52 -1.90 3.41 3.38 -1.19 -3.08 115.31 115.41 3knh h LEU 78 Ca 0.59 -0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.78 3knh h LEU 78 Cb 1.33 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.17 3knh h LEU 78 CO -0.79 -0.11 0.75 0.15 0.09 0.00 0.00 178.44 178.53 3knh h PHE 79 N -1.02 0.11 0.00 1.13 3.57 0.23 0.31 116.94 121.27 3knh h PHE 79 Ca -0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3knh h PHE 79 Cb 0.57 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3knh h PHE 79 CO 0.02 0.01 -0.52 0.93 -2.23 0.00 0.00 178.31 176.52 3knh h GLU 80 N 0.07 0.00 -0.47 1.11 4.39 -0.03 -3.26 114.58 116.39 3knh h GLU 80 Ca 0.52 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 60.12 3knh h GLU 80 Cb 1.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.58 3knh h GLU 80 CO -0.05 0.00 -0.11 1.49 -1.16 0.00 0.00 179.01 179.18 3knh h GLU 81 N 0.00 0.91 0.19 2.33 4.81 -0.29 -2.41 114.58 120.11 3knh h GLU 81 Ca 0.00 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3knh h GLU 81 Cb 0.79 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 3knh h GLU 81 CO 0.00 1.00 -0.37 0.00 -0.73 0.00 0.00 179.01 178.90 3knh h ALA 82 N 0.88 -0.69 -0.68 2.92 0.00 -1.59 0.90 119.26 121.00 3knh h ALA 82 Ca 0.12 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.14 3knh h ALA 82 Cb 0.66 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3knh h ALA 82 CO 0.05 -0.95 0.49 0.77 0.00 0.00 0.00 179.25 179.60 3knh h SER 83 N -0.65 0.03 0.10 0.00 0.02 -1.58 -1.94 113.55 109.54 3knh h SER 83 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3knh h SER 83 Cb 0.65 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3knh h SER 83 CO -0.18 0.02 -0.05 0.11 -1.14 0.00 0.00 176.83 175.59 3knh h LYS 84 N 0.04 -0.13 -6.44 3.45 1.79 -0.64 -3.46 116.57 111.18 3knh h LYS 84 Ca 0.32 0.01 -0.50 0.00 -2.18 0.00 0.00 60.65 58.30 3knh h LYS 84 Cb 1.25 0.03 0.23 0.00 -1.58 0.00 0.00 32.23 32.16 3knh h LYS 84 CO -0.02 -0.09 -1.41 1.63 -1.08 0.00 0.00 179.45 178.49 3knh n LYS 85 N -4.11 -0.58 -3.20 3.15 4.76 0.30 -4.98 118.16 113.50 3knh n LYS 85 Ca -0.02 -0.15 -0.21 0.00 -2.87 0.00 0.00 58.31 55.06 3knh n LYS 85 Cb 0.05 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 3knh n LYS 85 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3knh s LYS 86 N -2.93 3.10 0.01 1.97 -0.14 -1.26 -4.86 119.74 115.63 3knh s LYS 86 Ca 0.49 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.42 3knh s LYS 86 Cb -0.12 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 3knh s LYS 86 CO 0.70 -0.12 0.00 0.41 -0.76 0.00 0.00 175.35 175.58 3knh n GLY 87 N -1.89 -4.00 3.54 -3.33 0.00 -1.26 -4.80 105.19 93.45 3knh n GLY 87 Ca 0.00 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 3knh n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knh n VAL 88 N -0.06 -0.07 -0.15 1.61 0.31 -1.26 -4.72 118.33 113.99 3knh n VAL 88 Ca 0.00 -0.66 0.23 0.00 -0.01 0.00 0.00 64.34 63.90 3knh n VAL 88 Cb 0.00 -2.39 0.64 0.00 -0.91 0.00 0.00 33.84 31.18 3knh n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3knh h THR 89 N 7.76 0.65 0.33 2.52 2.02 -1.87 -2.11 112.91 122.23 3knh h THR 89 Ca -0.20 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3knh h THR 89 Cb 1.28 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3knh h THR 89 CO 1.20 0.03 -0.24 1.23 0.37 0.00 0.00 175.52 178.11 3knh h GLY 90 N 0.15 -0.86 0.00 2.16 0.00 -1.94 -3.19 103.07 99.39 3knh h GLY 90 Ca 0.39 0.37 0.00 0.00 0.00 0.00 0.00 47.33 48.09 3knh h GLY 90 CO -0.06 -0.29 0.00 1.44 0.00 0.00 0.00 176.54 177.63 3knh n SER 91 N -3.80 0.00 -0.22 0.19 7.64 -0.81 -3.16 113.62 113.46 3knh n SER 91 Ca -0.07 0.78 0.10 0.00 1.01 0.00 0.00 58.87 60.69 3knh n SER 91 Cb 0.24 -0.28 0.19 0.00 -1.01 0.00 0.00 64.21 63.34 3knh n SER 91 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3knh n VAL 92 N -1.71 -0.26 -0.02 0.44 0.31 -1.10 -0.60 118.33 115.39 3knh n VAL 92 Ca 0.00 1.39 -0.00 0.00 -0.01 0.00 0.00 64.34 65.71 3knh n VAL 92 Cb 0.00 -2.03 -0.00 0.00 -0.91 0.00 0.00 33.84 30.90 3knh n VAL 92 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3knh h PHE 93 N 0.00 -0.08 -0.91 3.52 -0.00 -1.53 0.48 116.94 118.42 3knh h PHE 93 Ca 0.39 0.01 0.15 0.00 -0.00 0.00 0.00 57.97 58.51 3knh h PHE 93 Cb 0.80 0.04 -0.15 0.00 -0.00 0.00 0.00 35.95 36.64 3knh h PHE 93 CO -0.31 -0.02 -0.36 -0.07 -0.00 0.00 0.00 178.31 177.55 3knh h LEU 94 N -0.00 -1.31 -0.97 0.59 3.38 -0.99 0.66 115.31 116.66 3knh h LEU 94 Ca 0.01 0.29 0.33 0.00 0.09 0.00 0.00 57.88 58.59 3knh h LEU 94 Cb 0.02 0.70 -0.16 0.00 0.09 0.00 0.00 40.66 41.31 3knh h LEU 94 CO -0.04 -0.29 0.42 1.23 0.09 0.00 0.00 178.44 179.85 3knh h GLY 95 N -0.03 1.88 0.88 0.83 0.00 -0.03 2.08 103.07 108.67 3knh h GLY 95 Ca 0.34 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 3knh h GLY 95 CO -0.93 -0.56 -0.20 1.41 0.00 0.00 0.00 176.54 176.26 3knh h LEU 96 N 0.17 0.59 -0.95 3.11 4.07 0.25 -2.28 115.31 120.26 3knh h LEU 96 Ca 0.71 -0.46 0.25 0.00 0.08 0.00 0.00 57.88 58.47 3knh h LEU 96 Cb 1.67 -0.17 -0.13 0.00 1.08 0.00 0.00 40.66 43.11 3knh h LEU 96 CO -0.71 0.92 0.49 -0.07 -1.08 0.00 0.00 178.44 178.00 3knh h LEU 97 N 0.26 0.47 0.19 1.67 3.38 0.45 -1.13 115.31 120.61 3knh h LEU 97 Ca 0.04 0.16 -0.27 0.00 0.09 0.00 0.00 57.88 57.90 3knh h LEU 97 Cb 0.74 0.11 0.03 0.00 0.09 0.00 0.00 40.66 41.63 3knh h LEU 97 CO 0.05 -0.00 -1.17 -0.33 0.09 0.00 0.00 178.44 177.08 3knh h GLU 98 N 0.44 0.46 0.00 1.13 3.07 -0.98 -3.23 114.58 115.46 3knh h GLU 98 Ca 0.63 -0.75 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3knh h GLU 98 Cb 1.25 0.27 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 3knh h GLU 98 CO -0.53 1.35 0.18 0.43 -1.40 0.00 0.00 179.01 179.03 3knh n SER 99 N -3.90 0.00 -4.68 1.42 7.64 -0.44 -4.05 113.62 109.61 3knh n SER 99 Ca -0.15 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.45 3knh n SER 99 Cb 0.97 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 3knh n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3knh s ARG 100 N -2.10 4.24 0.15 1.43 0.52 -1.16 0.33 118.95 122.36 3knh s ARG 100 Ca 0.00 2.05 -0.17 0.00 -0.52 0.00 0.00 55.73 57.09 3knh s ARG 100 Cb 0.00 -3.69 0.05 0.00 0.52 0.00 0.00 34.95 31.83 3knh s ARG 100 CO 0.00 -0.68 1.72 1.25 0.02 0.00 0.00 175.30 177.61 3knh h LEU 101 N 8.96 -0.07 -1.33 2.53 5.85 -1.34 -1.18 115.31 128.72 3knh h LEU 101 Ca -0.38 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3knh h LEU 101 Cb 1.17 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3knh h LEU 101 CO 0.93 -0.00 0.07 -0.90 -0.34 0.00 0.00 178.44 178.20 3knh n ASP 102 N -5.14 0.52 -0.05 1.25 5.75 -1.09 -1.24 116.55 116.54 3knh n ASP 102 Ca 0.01 0.72 -0.22 0.00 -0.01 0.00 0.00 54.79 55.29 3knh n ASP 102 Cb 0.16 -0.76 -0.13 0.00 -1.03 0.00 0.00 41.12 39.36 3knh n ASP 102 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3knh n ASN 103 N -2.22 2.02 0.25 -1.12 5.15 -0.51 -4.00 115.26 114.83 3knh n ASN 103 Ca -0.01 0.24 0.09 0.00 -0.60 0.00 0.00 54.58 54.31 3knh n ASN 103 Cb 0.10 -0.84 0.64 0.00 -0.53 0.00 0.00 39.78 39.15 3knh n ASN 103 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3knh h VAL 104 N -0.33 0.83 0.00 3.44 3.04 -0.52 0.66 116.25 123.36 3knh h VAL 104 Ca -0.44 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 3knh h VAL 104 Cb 1.77 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 32.36 3knh h VAL 104 CO -0.06 0.14 0.00 0.52 -1.01 0.00 0.00 177.57 177.16 3knh n VAL 105 N -3.98 0.53 -0.13 1.51 0.31 -0.46 -0.85 118.33 115.25 3knh n VAL 105 Ca -0.02 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.01 3knh n VAL 105 Cb 0.23 -0.72 -0.11 0.00 -0.91 0.00 0.00 33.84 32.33 3knh n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knh n TYR 106 N -1.98 0.00 0.30 3.52 9.36 -0.42 -1.47 117.16 126.46 3knh n TYR 106 Ca 0.05 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.46 3knh n TYR 106 Cb 0.34 -0.99 0.99 0.00 -0.63 0.00 0.00 39.34 39.06 3knh n TYR 106 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knh h ARG 107 N -0.51 0.00 0.00 2.98 2.47 0.39 -2.17 114.38 117.55 3knh h ARG 107 Ca -0.64 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 57.70 3knh h ARG 107 Cb 1.75 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 30.00 3knh h ARG 107 CO -0.26 0.00 -2.43 1.28 0.56 0.00 0.00 179.97 179.12 3knh n LEU 108 N -2.84 1.87 0.00 3.04 4.32 -0.03 -4.82 117.00 118.53 3knh n LEU 108 Ca -0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 3knh n LEU 108 Cb 0.13 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 3knh n LEU 108 CO 0.16 0.77 0.00 0.61 -1.22 0.00 0.00 177.39 177.71 3knh n GLY 109 N 2.06 -0.06 0.27 -0.72 0.00 -0.81 -5.02 105.19 100.90 3knh n GLY 109 Ca -0.41 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 3knh n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3knh h PHE 110 N 0.00 0.91 -3.29 1.61 0.04 -1.50 -3.42 116.94 111.29 3knh h PHE 110 Ca 0.00 -0.07 -0.57 0.00 2.80 0.00 0.00 57.97 60.13 3knh h PHE 110 Cb 0.00 -0.27 -0.18 0.00 2.20 0.00 0.00 35.95 37.69 3knh h PHE 110 CO 0.00 0.72 -0.80 0.00 -0.60 0.00 0.00 178.31 177.63 3knh s ALA 111 N -5.57 2.18 -1.84 2.45 0.00 -1.23 -4.82 121.76 112.93 3knh s ALA 111 Ca -0.13 -1.53 0.20 0.00 0.00 0.00 0.00 51.96 50.51 3knh s ALA 111 Cb 0.13 -0.24 1.16 0.00 0.00 0.00 0.00 23.12 24.17 3knh s ALA 111 CO 0.79 0.31 1.61 1.33 0.00 0.00 0.00 175.76 179.80 3knh n VAL 112 N 0.33 0.11 -3.67 0.00 0.24 -1.26 -4.75 118.33 109.32 3knh n VAL 112 Ca -0.13 0.03 -0.05 0.00 -2.04 0.00 0.00 64.34 62.14 3knh n VAL 112 Cb 0.56 -0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 32.21 3knh n VAL 112 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3knh s SER 113 N -2.16 -0.26 0.24 -1.34 1.04 -1.26 -3.52 113.70 106.44 3knh s SER 113 Ca 0.27 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.36 3knh s SER 113 Cb 0.14 0.48 0.31 0.00 0.10 0.00 0.00 66.02 67.05 3knh s SER 113 CO 0.25 -0.86 1.86 0.03 0.98 0.00 0.00 173.24 175.50 3knh h ARG 114 N 2.00 0.97 0.84 4.02 3.08 -1.89 0.14 114.38 123.54 3knh h ARG 114 Ca -0.24 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 3knh h ARG 114 Cb 1.24 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 31.08 3knh h ARG 114 CO 0.27 0.64 -0.42 0.00 -1.07 0.00 0.00 179.97 179.39 3knh h ARG 115 N 1.00 -1.11 -0.20 0.04 2.47 -1.93 0.27 114.38 114.92 3knh h ARG 115 Ca 0.37 0.08 0.04 0.00 -1.26 0.00 0.00 59.98 59.20 3knh h ARG 115 Cb 0.13 0.25 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 3knh h ARG 115 CO -0.16 -0.74 -0.04 0.37 0.56 0.00 0.00 179.97 179.97 3knh h GLN 116 N -1.15 0.02 -0.51 0.04 4.15 -1.92 0.48 115.11 116.22 3knh h GLN 116 Ca -0.11 -0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.40 3knh h GLN 116 Cb 0.89 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.50 3knh h GLN 116 CO 0.18 0.01 0.07 0.00 -1.93 0.00 0.00 178.83 177.16 3knh h ALA 117 N 1.19 0.55 -0.98 3.38 0.00 -0.70 0.43 119.26 123.13 3knh h ALA 117 Ca 0.09 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.28 3knh h ALA 117 Cb 0.14 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3knh h ALA 117 CO -0.19 -0.33 0.61 -0.09 0.00 0.00 0.00 179.25 179.25 3knh h ARG 118 N 0.20 0.79 -0.45 0.00 2.43 0.79 0.34 114.38 118.48 3knh h ARG 118 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3knh h ARG 118 Cb 0.36 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3knh h ARG 118 CO -0.36 0.52 0.00 0.94 -1.51 0.00 0.00 179.97 179.56 3knh n GLN 119 N -4.66 2.07 -0.09 0.20 7.27 0.13 -2.55 117.38 119.74 3knh n GLN 119 Ca 0.21 -1.53 -0.15 0.00 0.07 0.00 0.00 57.00 55.59 3knh n GLN 119 Cb 0.49 -1.37 -0.14 0.00 2.41 0.00 0.00 30.24 31.63 3knh n GLN 119 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3knh n LEU 120 N 0.70 1.81 0.37 1.69 4.77 0.11 -3.70 117.00 122.76 3knh n LEU 120 Ca 0.14 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 3knh n LEU 120 Cb 0.39 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3knh n LEU 120 CO 0.10 0.73 0.44 0.58 -1.33 0.00 0.00 177.39 177.92 3knh h VAL 121 N 0.01 0.00 -1.33 4.08 2.07 -1.35 -2.51 116.25 117.22 3knh h VAL 121 Ca -0.51 -0.14 0.47 0.00 0.82 0.00 0.00 66.70 67.34 3knh h VAL 121 Cb 2.04 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.66 3knh h VAL 121 CO -0.01 0.00 0.84 -1.14 0.02 0.00 0.00 177.57 177.29 3knh n ARG 122 N -4.97 -0.04 -3.17 1.57 0.00 -1.06 -2.14 116.66 106.85 3knh n ARG 122 Ca -0.12 1.27 -0.37 0.00 -0.00 0.00 0.00 57.85 58.63 3knh n ARG 122 Cb 0.38 -2.47 -0.03 0.00 0.00 0.00 0.00 32.46 30.34 3knh n ARG 122 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3knh n HIS 123 N -4.78 2.81 -2.25 -0.14 8.25 -1.12 -4.85 115.22 113.15 3knh n HIS 123 Ca 0.40 -3.19 0.00 0.00 -0.26 0.00 0.00 57.72 54.67 3knh n HIS 123 Cb 1.53 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3knh n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knh n GLY 124 N 1.15 0.00 0.00 -1.41 0.00 -0.91 -4.61 105.19 99.41 3knh n GLY 124 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.34 3knh n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3knh n HIS 125 N -0.62 0.00 -4.40 1.61 8.25 -0.96 -4.76 115.22 114.34 3knh n HIS 125 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 3knh n HIS 125 Cb 0.00 -0.07 -0.15 0.00 1.12 0.00 0.00 29.99 30.89 3knh n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3knh s ILE 126 N -2.18 2.86 0.21 1.59 -1.09 -1.25 0.13 121.20 121.46 3knh s ILE 126 Ca 0.02 -0.70 0.08 0.00 -2.23 0.00 0.00 60.65 57.81 3knh s ILE 126 Cb 0.07 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 3knh s ILE 126 CO 0.42 0.50 0.05 0.42 -1.23 0.00 0.00 174.94 175.10 3knh s THR 127 N 0.91 3.87 -0.03 2.92 -4.23 0.59 -2.31 115.64 117.36 3knh s THR 127 Ca -0.03 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3knh s THR 127 Cb -0.15 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.71 3knh s THR 127 CO -0.01 -0.21 0.00 -0.69 -0.54 0.00 0.00 174.62 173.17 3knh s VAL 128 N -1.94 0.15 0.00 2.29 1.01 0.14 -1.10 120.40 120.95 3knh s VAL 128 Ca 0.30 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3knh s VAL 128 Cb -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.05 3knh s VAL 128 CO 0.21 0.14 0.00 0.59 0.00 0.00 0.00 175.10 176.03 3knh n ASN 129 N 4.18 -2.61 0.00 3.32 3.02 -1.19 -2.88 115.26 119.09 3knh n ASN 129 Ca -0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3knh n ASN 129 Cb 0.50 -2.06 0.00 0.00 -0.61 0.00 0.00 39.78 37.61 3knh n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3knh n GLY 130 N 0.23 1.13 3.21 7.41 0.00 -1.26 -4.95 105.19 110.96 3knh n GLY 130 Ca 0.00 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 3knh n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knh n ARG 131 N 0.00 0.00 -1.64 1.61 3.00 -1.14 -4.57 116.66 113.92 3knh n ARG 131 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 3knh n ARG 131 Cb 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 32.46 31.56 3knh n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3knh s ARG 132 N -0.98 2.28 -0.20 5.56 1.70 -1.26 0.27 118.95 126.32 3knh s ARG 132 Ca 0.57 0.59 -0.14 0.00 -0.47 0.00 0.00 55.73 56.28 3knh s ARG 132 Cb -0.58 -1.95 0.06 0.00 -0.57 0.00 0.00 34.95 31.92 3knh s ARG 132 CO 0.62 -1.47 0.52 0.08 -1.08 0.00 0.00 175.30 173.97 3knh s VAL 133 N -3.21 -0.01 0.00 4.99 1.01 -0.98 -4.80 120.40 117.40 3knh s VAL 133 Ca 0.60 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3knh s VAL 133 Cb -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3knh s VAL 133 CO 0.53 0.02 0.38 -0.90 0.00 0.00 0.00 175.10 175.13 3knh n ASP 134 N 3.72 0.65 -4.56 3.32 3.85 -1.26 -4.49 116.55 117.78 3knh n ASP 134 Ca -0.19 -1.13 -0.41 0.00 -0.71 0.00 0.00 54.79 52.36 3knh n ASP 134 Cb 0.56 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.31 3knh n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3knh s LEU 135 N -0.13 3.24 0.06 -2.12 1.02 -1.26 -3.39 118.68 116.11 3knh s LEU 135 Ca 0.00 -0.14 -0.11 0.00 0.02 0.00 0.00 54.13 53.90 3knh s LEU 135 Cb 0.00 -2.67 -0.03 0.00 0.02 0.00 0.00 46.19 43.51 3knh s LEU 135 CO 0.00 -1.90 0.96 -2.65 0.02 0.00 0.00 176.35 172.78 3knh n PRO 136 N 9.17 -0.16 0.00 1.29 -0.02 -1.26 -1.70 135.00 142.32 3knh n PRO 136 Ca 0.08 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3knh n PRO 136 Cb 0.50 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3knh n PRO 136 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3knh n SER 137 N -3.79 1.85 -4.67 2.55 3.41 -1.26 -2.68 113.62 109.03 3knh n SER 137 Ca 0.01 -1.45 -0.51 0.00 -0.26 0.00 0.00 58.87 56.66 3knh n SER 137 Cb 0.09 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 3knh n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3knh n TYR 138 N 0.53 2.11 -2.25 7.33 9.36 -0.69 -4.64 117.16 128.91 3knh n TYR 138 Ca 0.00 0.31 -0.43 0.00 3.32 0.00 0.00 57.90 61.10 3knh n TYR 138 Cb 0.32 -2.53 -0.02 0.00 -0.63 0.00 0.00 39.34 36.48 3knh n TYR 138 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3knh s ARG 139 N 2.76 3.53 -0.14 2.98 6.06 -1.26 -1.29 118.95 131.58 3knh s ARG 139 Ca 0.91 1.11 -0.26 0.00 -2.50 0.00 0.00 55.73 54.98 3knh s ARG 139 Cb -0.84 -4.07 -0.02 0.00 0.06 0.00 0.00 34.95 30.08 3knh s ARG 139 CO 0.52 -1.62 0.87 0.08 -2.50 0.00 0.00 175.30 172.65 3knh s VAL 140 N 5.78 4.87 0.29 7.11 1.01 0.15 -4.97 120.40 134.64 3knh s VAL 140 Ca 0.67 1.73 0.06 0.00 0.00 0.00 0.00 61.98 64.44 3knh s VAL 140 Cb -0.17 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 3knh s VAL 140 CO 0.33 0.04 0.37 -0.13 0.00 0.00 0.00 175.10 175.71 3knh s ARG 141 N 1.99 3.18 0.12 2.72 0.52 -1.26 -4.82 118.95 121.40 3knh s ARG 141 Ca 0.41 -0.95 -0.34 0.00 -0.52 0.00 0.00 55.73 54.33 3knh s ARG 141 Cb -0.17 -2.78 -0.17 0.00 0.52 0.00 0.00 34.95 32.35 3knh s ARG 141 CO 0.14 0.26 1.01 -2.30 0.02 0.00 0.00 175.30 174.43 3knh n PRO 142 N -1.46 0.58 -3.27 3.54 -0.02 -1.26 -2.78 135.00 130.32 3knh n PRO 142 Ca -0.05 0.21 -0.17 0.00 -2.02 0.00 0.00 63.50 61.47 3knh n PRO 142 Cb 0.58 -1.61 0.07 0.00 -0.02 0.00 0.00 33.50 32.52 3knh n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knh n GLY 143 N 1.88 -0.22 3.88 -1.23 0.00 -0.56 -5.02 105.19 103.92 3knh n GLY 143 Ca 0.17 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3knh n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3knh s ASP 144 N -3.63 6.50 -0.81 1.61 1.01 -1.12 -4.95 116.67 115.28 3knh s ASP 144 Ca 0.26 0.56 -0.00 0.00 0.71 0.00 0.00 52.55 54.08 3knh s ASP 144 Cb -0.11 -2.09 0.35 0.00 1.01 0.00 0.00 42.92 42.08 3knh s ASP 144 CO 0.58 0.26 1.75 -0.62 0.21 0.00 0.00 175.17 177.35 3knh n GLU 145 N 1.16 3.56 -0.60 8.23 1.02 -1.26 -2.28 120.64 130.46 3knh n GLU 145 Ca -0.12 -4.06 -0.17 0.00 -0.02 0.00 0.00 57.16 52.79 3knh n GLU 145 Cb 0.53 -2.31 -0.05 0.00 -0.02 0.00 0.00 31.44 29.59 3knh n GLU 145 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3knh n ILE 146 N -0.39 0.00 -1.97 -3.67 -0.00 -1.26 -3.18 119.36 108.89 3knh n ILE 146 Ca 0.48 -0.17 -0.29 0.00 -0.00 0.00 0.00 62.75 62.77 3knh n ILE 146 Cb 0.32 -0.98 0.17 0.00 -0.00 0.00 0.00 39.64 39.15 3knh n ILE 146 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3knh s ALA 147 N 4.54 2.39 -0.06 -1.39 0.00 -0.26 -4.27 121.76 122.72 3knh s ALA 147 Ca 0.26 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 3knh s ALA 147 Cb 0.06 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 3knh s ALA 147 CO 0.13 -2.26 0.22 0.08 0.00 0.00 0.00 175.76 173.93 3knh s VAL 148 N -3.80 5.37 0.63 0.00 1.01 -1.08 -0.30 120.40 122.23 3knh s VAL 148 Ca 0.72 0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.80 3knh s VAL 148 Cb -0.05 -3.51 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 3knh s VAL 148 CO 0.52 0.52 -0.33 0.00 0.00 0.00 0.00 175.10 175.81 3knh n ALA 149 N 1.64 -3.75 -0.06 5.51 0.00 0.34 -4.73 120.51 119.45 3knh n ALA 149 Ca -0.16 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 3knh n ALA 149 Cb 0.54 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 3knh n ALA 149 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3knh h GLU 150 N -0.31 0.01 -0.22 0.00 9.09 -1.93 -2.08 114.58 119.15 3knh h GLU 150 Ca -0.40 -0.02 -0.15 0.00 0.05 0.00 0.00 59.36 58.84 3knh h GLU 150 Cb 1.33 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.43 3knh h GLU 150 CO 0.34 0.99 -0.47 -0.22 0.05 0.00 0.00 179.01 179.70 3knh h LYS 151 N -0.95 0.58 0.00 1.06 3.64 -1.96 -3.01 116.57 115.92 3knh h LYS 151 Ca -0.01 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3knh h LYS 151 Cb 1.01 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3knh h LYS 151 CO 0.01 0.92 0.00 0.77 -2.27 0.00 0.00 179.45 178.88 3knh h SER 152 N 0.46 0.00 0.00 4.20 0.02 -1.91 -2.71 113.55 113.61 3knh h SER 152 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3knh h SER 152 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3knh h SER 152 CO 0.09 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.33 3knh n ARG 153 N -2.90 0.00 -2.39 3.45 1.74 -0.78 -3.02 116.66 112.76 3knh n ARG 153 Ca -0.00 0.11 -0.36 0.00 -0.77 0.00 0.00 57.85 56.83 3knh n ARG 153 Cb 0.21 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.16 3knh n ARG 153 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3knh n ASN 154 N -1.10 6.58 -4.33 0.55 3.02 -1.02 -4.85 115.26 114.10 3knh n ASN 154 Ca 0.00 -3.75 -0.22 0.00 -0.03 0.00 0.00 54.58 50.58 3knh n ASN 154 Cb 0.00 -0.93 -0.10 0.00 -0.61 0.00 0.00 39.78 38.15 3knh n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3knh s LEU 155 N -3.99 2.04 -0.16 3.41 1.43 -1.17 -5.05 118.68 115.20 3knh s LEU 155 Ca 0.47 -1.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.00 3knh s LEU 155 Cb 0.33 -0.24 -0.23 0.00 0.03 0.00 0.00 46.19 46.08 3knh s LEU 155 CO -0.25 -0.73 0.24 -0.62 0.23 0.00 0.00 176.35 175.22 3knh n GLU 156 N -0.73 0.70 -0.02 1.70 4.71 -1.26 -3.16 120.64 122.58 3knh n GLU 156 Ca -0.03 0.31 -0.09 0.00 -0.01 0.00 0.00 57.16 57.34 3knh n GLU 156 Cb 0.66 -1.69 -0.03 0.00 -1.01 0.00 0.00 31.44 29.38 3knh n GLU 156 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3knh h LEU 157 N -0.20 -0.78 0.20 -4.62 5.85 -1.98 0.57 115.31 114.36 3knh h LEU 157 Ca -0.44 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3knh h LEU 157 Cb 1.85 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 43.22 3knh h LEU 157 CO -0.02 -0.29 -0.18 0.40 -0.34 0.00 0.00 178.44 178.02 3knh h ILE 158 N -0.28 0.61 0.00 4.05 1.08 -1.88 -3.06 117.51 118.03 3knh h ILE 158 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 3knh h ILE 158 Cb 0.46 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3knh h ILE 158 CO -0.35 0.00 -0.03 0.03 -0.69 0.00 0.00 178.15 177.11 3knh h ARG 159 N -0.40 -0.04 -0.94 2.37 2.47 -1.34 -3.07 114.38 113.42 3knh h ARG 159 Ca -0.00 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.87 3knh h ARG 159 Cb 0.37 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 28.54 3knh h ARG 159 CO -0.03 -0.03 -0.34 1.04 0.56 0.00 0.00 179.97 181.17 3knh n GLN 160 N -2.64 -0.20 0.23 0.04 6.02 0.13 -1.12 117.38 119.84 3knh n GLN 160 Ca -0.00 1.46 0.16 0.00 -0.01 0.00 0.00 57.00 58.60 3knh n GLN 160 Cb 0.02 -2.17 0.63 0.00 1.02 0.00 0.00 30.24 29.75 3knh n GLN 160 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3knh h ASN 161 N 0.00 0.00 0.25 1.08 4.21 -1.54 -3.11 115.58 116.47 3knh h ASN 161 Ca 0.35 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.52 3knh h ASN 161 Cb 0.59 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.78 3knh h ASN 161 CO -0.94 0.00 -1.76 -0.07 -1.29 0.00 0.00 177.43 173.36 3knh h LEU 162 N 0.00 0.49 -0.72 1.61 3.38 -1.02 -3.35 115.31 115.70 3knh h LEU 162 Ca 0.00 -0.80 0.13 0.00 0.09 0.00 0.00 57.88 57.30 3knh h LEU 162 Cb 0.46 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 40.92 3knh h LEU 162 CO 0.00 1.69 -0.32 -0.08 0.09 0.00 0.00 178.44 179.81 3knh h GLU 163 N 0.08 -0.09 -1.04 1.13 4.57 -1.40 0.82 114.58 118.65 3knh h GLU 163 Ca -0.34 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 3knh h GLU 163 Cb 2.06 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.67 3knh h GLU 163 CO 0.15 -0.06 0.00 0.00 -1.18 0.00 0.00 179.01 177.92 3knh n ALA 164 N -3.25 1.99 -0.05 2.92 0.00 -1.24 -2.97 120.51 117.91 3knh n ALA 164 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 3knh n ALA 164 Cb 0.37 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 3knh n ALA 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3knh n MET 165 N 0.48 0.25 -1.80 0.00 2.81 0.28 -4.76 117.12 114.38 3knh n MET 165 Ca 0.00 0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.55 3knh n MET 165 Cb 0.23 -1.05 -0.03 0.00 -0.71 0.00 0.00 33.22 31.66 3knh n MET 165 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3knh s LYS 166 N -2.20 3.03 0.00 0.03 1.02 -1.16 -0.98 119.74 119.48 3knh s LYS 166 Ca -0.15 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.41 3knh s LYS 166 Cb 0.05 -4.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 3knh s LYS 166 CO 0.22 -2.22 0.00 0.41 -0.92 0.00 0.00 175.35 172.84 3knh n GLY 167 N 5.65 3.10 3.73 -3.33 0.00 -1.26 -5.08 105.19 108.00 3knh n GLY 167 Ca 0.27 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3knh n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knh s ARG 168 N 0.00 2.14 -0.05 1.61 0.52 -0.15 -5.05 118.95 117.97 3knh s ARG 168 Ca 0.00 1.52 0.02 0.00 -0.52 0.00 0.00 55.73 56.74 3knh s ARG 168 Cb 0.00 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.63 3knh s ARG 168 CO 0.00 -1.78 -0.07 0.15 0.02 0.00 0.00 175.30 173.61 3knh s LYS 169 N -4.27 1.11 0.87 3.54 1.02 -1.26 -5.02 119.74 115.73 3knh s LYS 169 Ca 0.69 -0.22 -0.14 0.00 0.02 0.00 0.00 55.97 56.32 3knh s LYS 169 Cb -0.23 -1.01 0.13 0.00 -0.52 0.00 0.00 37.83 36.20 3knh s LYS 169 CO 0.48 -0.03 1.24 0.08 -0.92 0.00 0.00 175.35 176.20 3knh s VAL 170 N 0.77 2.00 1.21 3.17 1.01 -1.26 -5.04 120.40 122.26 3knh s VAL 170 Ca -0.12 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 3knh s VAL 170 Cb -0.15 -3.00 0.26 0.00 0.00 0.00 0.00 36.38 33.49 3knh s VAL 170 CO 0.01 0.00 0.69 0.61 0.00 0.00 0.00 175.10 176.42 3knh n GLY 171 N -3.51 -2.46 0.33 4.51 0.00 -1.26 -4.89 105.19 97.92 3knh n GLY 171 Ca 0.11 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 45.03 3knh n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3knh h PRO 172 N -2.68 0.91 -0.93 1.61 0.11 -1.96 -3.12 132.00 125.93 3knh h PRO 172 Ca -0.58 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.44 3knh h PRO 172 Cb 1.33 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3knh h PRO 172 CO 0.43 0.60 0.06 -2.67 -0.21 0.00 0.00 178.00 176.21 3knh n TRP 173 N -4.65 0.60 -3.77 0.65 2.14 -1.26 -4.84 117.44 106.30 3knh n TRP 173 Ca 0.15 -0.40 -0.13 0.00 2.07 0.00 0.00 57.50 59.19 3knh n TRP 173 Cb 0.26 -0.28 -0.12 0.00 -0.81 0.00 0.00 31.31 30.36 3knh n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3knh s LEU 174 N -0.73 0.91 0.06 5.67 1.43 -1.18 -1.82 118.68 123.02 3knh s LEU 174 Ca 0.14 0.46 0.09 0.00 -1.03 0.00 0.00 54.13 53.79 3knh s LEU 174 Cb 0.11 0.73 -0.03 0.00 0.03 0.00 0.00 46.19 47.03 3knh s LEU 174 CO 0.04 -0.11 -0.26 -0.94 0.23 0.00 0.00 176.35 175.31 3knh s SER 175 N 0.50 3.08 -0.25 2.29 1.04 -1.12 -4.70 113.70 114.55 3knh s SER 175 Ca -0.03 -0.60 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 3knh s SER 175 Cb -0.05 -0.27 0.08 0.00 0.10 0.00 0.00 66.02 65.89 3knh s SER 175 CO -0.03 0.23 0.08 -0.22 0.98 0.00 0.00 173.24 174.29 3knh s LEU 176 N -1.33 1.30 -1.23 2.42 2.96 -1.26 -1.49 118.68 120.04 3knh s LEU 176 Ca 0.11 -1.16 -0.14 0.00 -0.22 0.00 0.00 54.13 52.73 3knh s LEU 176 Cb -0.10 -0.60 0.16 0.00 0.50 0.00 0.00 46.19 46.15 3knh s LEU 176 CO 0.02 -0.37 1.52 -0.67 -1.32 0.00 0.00 176.35 175.53 3knh n ASP 177 N 5.05 5.16 0.01 3.68 -0.08 0.52 -4.88 116.55 126.01 3knh n ASP 177 Ca -0.06 -2.98 -0.01 0.00 -1.51 0.00 0.00 54.79 50.23 3knh n ASP 177 Cb 0.45 -1.59 -0.00 0.00 2.34 0.00 0.00 41.12 42.31 3knh n ASP 177 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3knh h VAL 178 N 4.69 0.00 0.00 5.18 2.07 -1.96 -2.26 116.25 123.97 3knh h VAL 178 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.86 3knh h VAL 178 Cb 0.85 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3knh h VAL 178 CO 1.31 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 178.28 3knh n GLU 179 N -2.51 0.00 0.00 1.57 1.02 -1.26 0.19 120.64 119.65 3knh n GLU 179 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3knh n GLU 179 Cb 0.02 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3knh n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3knh n GLY 180 N -0.40 -0.19 3.79 0.62 0.00 -0.89 -5.05 105.19 103.06 3knh n GLY 180 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3knh n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3knh n MET 181 N -0.08 -5.11 -3.73 1.61 2.81 0.50 -5.00 117.12 108.13 3knh n MET 181 Ca 0.00 0.61 -0.09 0.00 -1.81 0.00 0.00 57.70 56.40 3knh n MET 181 Cb 0.23 -5.27 -0.03 0.00 -0.71 0.00 0.00 33.22 27.43 3knh n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3knh s LYS 182 N -6.24 1.44 0.00 0.03 -2.85 -1.04 -2.63 119.74 108.45 3knh s LYS 182 Ca 0.25 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 3knh s LYS 182 Cb -0.12 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 3knh s LYS 182 CO 0.82 -0.62 0.00 0.41 0.10 0.00 0.00 175.35 176.06 3knh n GLY 183 N -0.37 5.58 2.95 0.59 0.00 -1.26 -0.35 105.19 112.33 3knh n GLY 183 Ca -0.10 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.43 3knh n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knh s LYS 184 N 1.73 0.19 -0.46 1.61 2.20 -0.56 -4.52 119.74 119.93 3knh s LYS 184 Ca 0.00 0.02 -0.27 0.00 -0.36 0.00 0.00 55.97 55.37 3knh s LYS 184 Cb 0.00 0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.31 3knh s LYS 184 CO 0.00 -0.30 2.25 0.12 -0.36 0.00 0.00 175.35 177.05 3knh s PHE 185 N 2.37 1.23 -0.02 4.03 5.36 -0.97 -2.79 117.98 127.21 3knh s PHE 185 Ca 0.20 1.22 -0.13 0.00 -0.96 0.00 0.00 56.93 57.26 3knh s PHE 185 Cb 0.01 -3.76 -0.07 0.00 -0.34 0.00 0.00 43.02 38.86 3knh s PHE 185 CO -0.18 -2.75 0.63 -0.07 -1.46 0.00 0.00 175.22 171.39 3knh h LEU 186 N 18.02 -0.38 -8.57 6.12 3.38 -1.69 -1.47 115.31 130.71 3knh h LEU 186 Ca -0.28 0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.43 3knh h LEU 186 Cb 1.24 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 3knh h LEU 186 CO 1.13 -0.06 -0.32 0.00 0.09 0.00 0.00 178.44 179.28 3knh s ARG 187 N -3.10 1.69 -0.29 1.13 1.70 -1.24 -3.86 118.95 114.99 3knh s ARG 187 Ca -0.07 -1.71 -0.29 0.00 -0.47 0.00 0.00 55.73 53.19 3knh s ARG 187 Cb 0.01 0.39 -0.00 0.00 -0.57 0.00 0.00 34.95 34.77 3knh s ARG 187 CO 0.20 -0.67 1.36 -1.17 -1.08 0.00 0.00 175.30 173.95 3knh s LEU 188 N -3.22 3.86 -0.23 -1.89 0.20 -1.26 -4.81 118.68 111.33 3knh s LEU 188 Ca 0.33 1.26 -0.29 0.00 0.69 0.00 0.00 54.13 56.12 3knh s LEU 188 Cb 0.02 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.20 3knh s LEU 188 CO 0.19 -1.13 1.89 -2.16 -0.29 0.00 0.00 176.35 174.84 3knh s PRO 189 N 4.31 3.49 0.52 0.98 0.04 -1.26 -4.97 135.00 138.10 3knh s PRO 189 Ca 0.59 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 63.25 3knh s PRO 189 Cb -0.18 -4.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.09 3knh s PRO 189 CO 0.25 -1.68 1.02 0.34 0.04 0.00 0.00 177.00 176.97 3knh s ASP 190 N 6.04 6.32 0.17 6.66 2.15 -1.26 -4.58 116.67 132.17 3knh s ASP 190 Ca 0.84 1.77 0.09 0.00 0.43 0.00 0.00 52.55 55.68 3knh s ASP 190 Cb -0.28 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.41 3knh s ASP 190 CO 0.34 -0.79 0.71 -1.14 -0.17 0.00 0.00 175.17 174.11 3knh n ARG 191 N -1.42 -0.03 0.08 4.34 3.00 -1.26 -1.33 116.66 120.04 3knh n ARG 191 Ca 0.08 0.62 -0.07 0.00 -0.00 0.00 0.00 57.85 58.48 3knh n ARG 191 Cb 0.53 -1.11 -0.04 0.00 0.00 0.00 0.00 32.46 31.84 3knh n ARG 191 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3knh h GLU 192 N 0.00 -0.35 -0.09 -0.14 4.57 -2.01 -2.77 114.58 113.79 3knh h GLU 192 Ca 0.38 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 3knh h GLU 192 Cb 1.01 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3knh h GLU 192 CO -0.34 -0.23 0.00 -0.25 -1.18 0.00 0.00 179.01 177.00 3knh n ASP 193 N -3.70 0.09 -4.25 1.04 8.00 -0.45 -4.57 116.55 112.71 3knh n ASP 193 Ca -0.04 -0.39 -0.27 0.00 0.71 0.00 0.00 54.79 54.80 3knh n ASP 193 Cb 0.18 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 3knh n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3knh s LEU 194 N -0.53 2.12 0.00 0.64 2.01 -1.04 -4.91 118.68 116.96 3knh s LEU 194 Ca 0.00 -0.48 0.00 0.00 0.01 0.00 0.00 54.13 53.66 3knh s LEU 194 Cb 0.00 -1.06 0.00 0.00 0.01 0.00 0.00 46.19 45.14 3knh s LEU 194 CO 0.00 0.21 0.00 0.00 1.01 0.00 0.00 176.35 177.57 3knh n ALA 195 N 2.12 1.57 -0.08 4.21 0.00 -1.26 -4.98 120.51 122.08 3knh n ALA 195 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 3knh n ALA 195 Cb 0.53 0.09 -0.00 0.00 0.00 0.00 0.00 19.45 20.07 3knh n ALA 195 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knh n LEU 196 N -1.32 -0.02 -3.75 0.00 4.32 -1.26 -4.58 117.00 110.38 3knh n LEU 196 Ca 0.00 0.07 -0.41 0.00 -0.02 0.00 0.00 56.01 55.64 3knh n LEU 196 Cb 0.18 -0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 41.87 3knh n LEU 196 CO 0.00 -0.13 2.02 -0.81 -1.22 0.00 0.00 177.39 177.26 3knh n PRO 197 N 0.08 1.50 -3.74 3.23 -0.04 -1.26 -4.77 135.00 130.00 3knh n PRO 197 Ca 0.01 -1.92 -0.30 0.00 -0.04 0.00 0.00 63.50 61.25 3knh n PRO 197 Cb 0.01 -3.02 -0.15 0.00 -0.04 0.00 0.00 33.50 30.30 3knh n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knh s VAL 198 N 5.85 1.01 -1.02 0.52 1.01 -1.26 -4.94 120.40 121.56 3knh s VAL 198 Ca 0.59 -1.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 3knh s VAL 198 Cb 0.12 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 3knh s VAL 198 CO 0.12 -0.72 1.96 0.21 0.00 0.00 0.00 175.10 176.67 3knh s ASN 199 N 1.35 5.02 0.30 3.32 3.84 -1.26 -4.78 114.94 122.73 3knh s ASN 199 Ca 0.11 -1.08 0.03 0.00 0.21 0.00 0.00 52.86 52.13 3knh s ASN 199 Cb -0.19 -2.57 0.76 0.00 -0.55 0.00 0.00 41.25 38.70 3knh s ASN 199 CO -0.19 -2.97 1.48 -1.84 -2.79 0.00 0.00 177.10 170.78 3knh n GLU 200 N 8.59 -0.07 -0.40 0.43 0.00 -1.26 -0.44 120.64 127.48 3knh n GLU 200 Ca 0.42 1.40 0.00 0.00 0.00 0.00 0.00 57.16 58.99 3knh n GLU 200 Cb 0.47 -2.25 0.00 0.00 0.00 0.00 0.00 31.44 29.66 3knh n GLU 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3knh n GLN 201 N -5.38 0.95 0.00 3.44 1.13 -1.26 -1.78 117.38 114.49 3knh n GLN 201 Ca 0.23 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 3knh n GLN 201 Cb 0.76 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 30.09 3knh n GLN 201 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3knh n LEU 202 N 1.37 0.00 0.18 1.08 4.77 0.41 -4.65 117.00 120.16 3knh n LEU 202 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3knh n LEU 202 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3knh n LEU 202 CO 0.00 0.00 0.33 0.58 -1.33 0.00 0.00 177.39 176.97 3knh h VAL 203 N 0.00 0.29 -0.66 4.08 2.07 -1.41 -2.50 116.25 118.13 3knh h VAL 203 Ca 0.00 -0.66 0.19 0.00 0.82 0.00 0.00 66.70 67.05 3knh h VAL 203 Cb 0.37 0.46 -0.12 0.00 -1.52 0.00 0.00 31.29 30.47 3knh h VAL 203 CO 0.00 0.06 0.03 -0.38 0.02 0.00 0.00 177.57 177.30 3knh n ILE 204 N -5.14 -0.28 0.35 4.57 2.08 -1.15 -0.16 119.36 119.63 3knh n ILE 204 Ca -0.08 1.44 -0.14 0.00 0.56 0.00 0.00 62.75 64.53 3knh n ILE 204 Cb 0.26 -2.12 -0.07 0.00 -0.75 0.00 0.00 39.64 36.97 3knh n ILE 204 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3knh h GLU 205 N 0.00 -0.88 -1.21 0.38 5.08 -1.79 -2.54 114.58 113.62 3knh h GLU 205 Ca 0.41 0.06 0.35 0.00 -1.00 0.00 0.00 59.36 59.18 3knh h GLU 205 Cb 0.85 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 3knh h GLU 205 CO -0.61 -0.59 1.26 0.34 -1.00 0.00 0.00 179.01 178.41 3knh n PHE 206 N -5.09 0.00 -2.59 4.33 7.35 0.77 -0.64 117.46 121.59 3knh n PHE 206 Ca -0.11 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.20 3knh n PHE 206 Cb 0.36 -0.30 0.01 0.00 0.35 0.00 0.00 39.48 39.90 3knh n PHE 206 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3knh n TYR 207 N -3.36 3.04 -1.51 -5.13 0.53 -0.69 -3.34 117.16 106.70 3knh n TYR 207 Ca 0.27 -2.79 0.00 0.00 -1.02 0.00 0.00 57.90 54.36 3knh n TYR 207 Cb 1.63 -1.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.89 3knh n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3knh n SER 208 N -0.17 0.00 0.00 7.72 7.64 0.19 -4.95 113.62 124.05 3knh n SER 208 Ca 0.45 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.33 3knh n SER 208 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 3knh n SER 208 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57