#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm h LEU 3 N 0.00 -0.08 -1.36 3.14 6.46 -2.07 -3.03 115.31 118.37 3knm h LEU 3 Ca 0.00 0.00 0.34 0.00 -0.12 0.00 0.00 57.88 58.10 3knm h LEU 3 Cb 0.00 0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 39.84 3knm h LEU 3 CO 0.00 -0.01 0.73 0.77 -0.62 0.00 0.00 178.44 179.32 3knm h SER 4 N -0.20 0.37 -0.95 1.25 4.64 -2.05 1.23 113.55 117.83 3knm h SER 4 Ca -0.01 0.11 0.20 0.00 -0.47 0.00 0.00 61.79 61.62 3knm h SER 4 Cb 0.08 0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 62.15 3knm h SER 4 CO 0.02 -0.04 0.61 -0.08 -0.87 0.00 0.00 176.83 176.47 3knm h GLU 5 N 0.26 0.51 0.11 4.77 4.57 -1.99 -2.49 114.58 120.33 3knm h GLU 5 Ca 0.69 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.84 3knm h GLU 5 Cb 1.94 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.42 3knm h GLU 5 CO -0.36 0.34 -0.05 0.28 -1.18 0.00 0.00 179.01 178.03 3knm h VAL 6 N 0.52 1.05 -0.58 0.32 2.07 0.17 -0.49 116.25 119.31 3knm h VAL 6 Ca 0.51 -1.26 0.17 0.00 0.82 0.00 0.00 66.70 66.94 3knm h VAL 6 Cb 1.11 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3knm h VAL 6 CO -0.24 0.27 0.54 0.08 0.02 0.00 0.00 177.57 178.24 3knm h ARG 7 N -0.80 0.00 0.11 1.57 0.11 -1.46 1.74 114.38 115.65 3knm h ARG 7 Ca -0.02 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.80 3knm h ARG 7 Cb 0.56 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.65 3knm h ARG 7 CO 0.02 0.00 -1.19 0.87 0.10 0.00 0.00 179.97 179.78 3knm h LYS 8 N 0.00 0.34 0.36 0.08 1.57 -1.35 0.25 116.57 117.83 3knm h LYS 8 Ca 0.27 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3knm h LYS 8 Cb 1.36 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.86 3knm h LYS 8 CO -0.00 1.22 -0.17 0.37 -0.57 0.00 0.00 179.45 180.29 3knm h GLN 9 N 0.13 -0.47 -0.37 3.15 4.15 0.39 -2.50 115.11 119.59 3knm h GLN 9 Ca -0.13 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 3knm h GLN 9 Cb 1.89 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.67 3knm h GLN 9 CO 0.20 -0.17 0.14 -0.07 -1.93 0.00 0.00 178.83 177.01 3knm h LEU 10 N -0.78 0.51 -0.61 -2.39 3.38 0.45 -0.53 115.31 115.35 3knm h LEU 10 Ca -0.05 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.83 3knm h LEU 10 Cb 0.52 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3knm h LEU 10 CO 0.08 0.54 0.27 -0.08 0.09 0.00 0.00 178.44 179.34 3knm h GLU 11 N 0.45 0.47 0.20 1.13 4.81 -0.54 0.33 114.58 121.42 3knm h GLU 11 Ca 0.12 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3knm h GLU 11 Cb 0.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3knm h GLU 11 CO -0.01 0.31 -0.09 1.49 -0.73 0.00 0.00 179.01 179.98 3knm h GLU 12 N 0.49 -0.25 -0.90 1.92 4.81 -1.34 -3.23 114.58 116.08 3knm h GLU 12 Ca 0.29 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 3knm h GLU 12 Cb 0.30 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 3knm h GLU 12 CO -0.25 0.14 0.58 0.00 -0.73 0.00 0.00 179.01 178.74 3knm h ALA 13 N -0.14 1.60 0.00 2.92 0.00 -0.93 -3.06 119.26 119.65 3knm h ALA 13 Ca -0.03 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.30 3knm h ALA 13 Cb 0.51 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.10 3knm h ALA 13 CO 0.04 0.23 3.39 0.54 0.00 0.00 0.00 179.25 183.46 3knm n ARG 14 N -4.52 3.09 0.00 0.00 1.74 0.11 -2.58 116.66 114.51 3knm n ARG 14 Ca 0.15 -1.97 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 3knm n ARG 14 Cb 0.28 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 3knm n ARG 14 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3knm n LYS 15 N 3.98 0.00 0.00 5.56 2.85 -1.16 -4.92 118.16 124.47 3knm n LYS 15 Ca 0.66 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.92 3knm n LYS 15 Cb 0.21 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.59 3knm n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3knm n LEU 16 N 0.00 0.17 -1.64 -5.58 4.77 -1.07 -5.00 117.00 108.65 3knm n LEU 16 Ca 0.00 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3knm n LEU 16 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3knm n LEU 16 CO 0.00 0.04 -0.44 -0.24 -1.33 0.00 0.00 177.39 175.42 3knm n SER 17 N -0.14 -8.66 0.00 -1.43 2.88 -1.26 -4.09 113.62 100.92 3knm n SER 17 Ca 0.00 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 3knm n SER 17 Cb 0.10 -4.58 0.00 0.00 -0.75 0.00 0.00 64.21 58.98 3knm n SER 17 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3knm n PRO 18 N -0.10 0.00 -0.21 -1.46 -0.02 -1.26 -0.95 135.00 131.00 3knm n PRO 18 Ca 0.00 0.25 0.31 0.00 -2.02 0.00 0.00 63.50 62.04 3knm n PRO 18 Cb 0.00 -0.46 0.63 0.00 -0.02 0.00 0.00 33.50 33.65 3knm n PRO 18 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3knm h VAL 19 N 0.00 0.17 0.08 -1.45 2.07 -2.00 0.33 116.25 115.45 3knm h VAL 19 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3knm h VAL 19 Cb 0.00 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3knm h VAL 19 CO 0.00 0.00 -0.57 -0.08 0.02 0.00 0.00 177.57 176.94 3knm h GLU 20 N 0.00 0.17 0.27 1.57 4.57 -1.19 -3.03 114.58 116.94 3knm h GLU 20 Ca 0.48 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3knm h GLU 20 Cb 2.43 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 31.10 3knm h GLU 20 CO -0.01 1.14 -0.47 -0.07 -1.18 0.00 0.00 179.01 178.43 3knm h LEU 21 N -0.62 -1.35 -0.71 1.64 3.38 0.05 -0.87 115.31 116.83 3knm h LEU 21 Ca -0.11 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3knm h LEU 21 Cb 1.40 0.48 -0.13 0.00 0.09 0.00 0.00 40.66 42.50 3knm h LEU 21 CO 0.08 -0.57 -0.36 -0.33 0.09 0.00 0.00 178.44 177.35 3knm h GLU 22 N -0.81 -0.11 -0.45 1.13 5.08 -1.27 0.14 114.58 118.30 3knm h GLU 22 Ca -0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3knm h GLU 22 Cb 0.77 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 3knm h GLU 22 CO -0.18 -0.08 0.11 0.87 -1.00 0.00 0.00 179.01 178.74 3knm h LYS 23 N -0.12 0.25 -0.07 2.33 1.57 -1.35 -1.82 116.57 117.35 3knm h LYS 23 Ca 0.26 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 3knm h LYS 23 Cb 0.56 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 3knm h LYS 23 CO -0.77 0.16 -0.32 1.25 -0.57 0.00 0.00 179.45 179.20 3knm h LEU 24 N 0.25 -0.97 -0.76 2.94 5.85 0.63 -1.70 115.31 121.56 3knm h LEU 24 Ca 0.22 0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.16 3knm h LEU 24 Cb 0.26 0.40 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 3knm h LEU 24 CO -0.27 -0.37 -0.53 0.58 -0.34 0.00 0.00 178.44 177.51 3knm h VAL 25 N -0.43 0.02 0.00 1.05 2.07 -0.17 -0.81 116.25 117.98 3knm h VAL 25 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3knm h VAL 25 Cb 0.55 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3knm h VAL 25 CO -0.31 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.82 3knm n ARG 26 N -5.34 0.00 -0.30 1.57 5.12 -0.66 0.11 116.66 117.16 3knm n ARG 26 Ca 0.01 0.54 -0.08 0.00 -1.93 0.00 0.00 57.85 56.39 3knm n ARG 26 Cb 0.31 -0.92 -0.07 0.00 -1.16 0.00 0.00 32.46 30.63 3knm n ARG 26 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3knm n GLU 27 N -1.69 -0.31 -0.30 5.56 1.02 -0.73 0.13 120.64 124.32 3knm n GLU 27 Ca 0.00 1.15 0.16 0.00 -0.02 0.00 0.00 57.16 58.45 3knm n GLU 27 Cb 0.00 -1.69 0.43 0.00 -0.02 0.00 0.00 31.44 30.15 3knm n GLU 27 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3knm h LYS 28 N 0.00 0.56 -0.45 3.49 1.79 0.12 0.38 116.57 122.46 3knm h LYS 28 Ca 0.11 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.44 3knm h LYS 28 Cb 0.29 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3knm h LYS 28 CO -0.66 0.37 -0.16 0.87 -1.08 0.00 0.00 179.45 178.79 3knm h LYS 29 N 0.58 0.90 -0.46 3.15 1.79 0.85 -1.89 116.57 121.48 3knm h LYS 29 Ca 0.52 -0.37 -0.07 0.00 -2.18 0.00 0.00 60.65 58.55 3knm h LYS 29 Cb 1.05 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 3knm h LYS 29 CO -0.26 1.02 0.03 0.07 -1.08 0.00 0.00 179.45 179.23 3knm h ARG 30 N 0.74 0.79 -0.56 3.15 0.11 0.18 -1.59 114.38 117.20 3knm h ARG 30 Ca 0.11 -0.24 0.07 0.00 0.10 0.00 0.00 59.98 60.02 3knm h ARG 30 Cb 0.72 -0.08 -0.06 0.00 1.11 0.00 0.00 29.97 31.66 3knm h ARG 30 CO 0.05 0.83 0.25 0.93 0.10 0.00 0.00 179.97 182.14 3knm h GLU 31 N 0.65 0.46 -0.98 0.08 5.08 -0.68 0.87 114.58 120.06 3knm h GLU 31 Ca 0.13 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.57 3knm h GLU 31 Cb 0.46 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 3knm h GLU 31 CO 0.02 0.30 0.61 1.25 -1.00 0.00 0.00 179.01 180.19 3knm h LEU 32 N 0.47 0.91 -0.69 1.33 6.46 -0.93 0.25 115.31 123.12 3knm h LEU 32 Ca 0.26 0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.93 3knm h LEU 32 Cb 0.24 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 3knm h LEU 32 CO -0.22 0.51 -0.64 -0.03 -0.62 0.00 0.00 178.44 177.44 3knm h MET 33 N 1.00 0.09 -0.36 1.25 4.05 0.15 0.17 114.93 121.28 3knm h MET 33 Ca 0.47 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.86 3knm h MET 33 Cb 0.42 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 3knm h MET 33 CO -0.25 0.69 0.17 1.49 0.23 0.00 0.00 176.91 179.24 3knm h GLU 34 N 0.06 0.34 0.26 0.39 4.57 0.38 -2.11 114.58 118.47 3knm h GLU 34 Ca -0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3knm h GLU 34 Cb 1.13 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3knm h GLU 34 CO 0.09 0.23 -0.13 -0.07 -1.18 0.00 0.00 179.01 177.95 3knm h LEU 35 N 0.35 -0.30 -1.72 1.64 3.38 -0.50 -2.92 115.31 115.25 3knm h LEU 35 Ca 0.15 -0.23 0.41 0.00 0.09 0.00 0.00 57.88 58.30 3knm h LEU 35 Cb 0.07 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3knm h LEU 35 CO -0.11 0.16 0.95 0.03 0.09 0.00 0.00 178.44 179.56 3knm h ARG 36 N -0.85 0.09 0.00 1.13 3.08 -0.60 1.29 114.38 118.51 3knm h ARG 36 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3knm h ARG 36 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3knm h ARG 36 CO 0.06 0.06 0.00 0.74 -1.07 0.00 0.00 179.97 179.76 3knm h PHE 37 N 0.09 0.00 0.00 3.04 -1.00 -1.20 -1.69 116.94 116.18 3knm h PHE 37 Ca 0.73 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.50 3knm h PHE 37 Cb 2.56 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 42.12 3knm h PHE 37 CO -0.00 0.00 -1.41 1.04 -1.61 0.00 0.00 178.31 176.33 3knm n GLN 38 N -2.91 0.63 0.13 1.51 6.02 0.43 -3.59 117.38 119.59 3knm n GLN 38 Ca 0.03 -0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.07 3knm n GLN 38 Cb 0.45 -1.70 0.03 0.00 1.02 0.00 0.00 30.24 30.04 3knm n GLN 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3knm h ALA 39 N 1.99 0.71 -0.11 -1.58 0.00 -1.01 -3.25 119.26 116.01 3knm h ALA 39 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3knm h ALA 39 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3knm h ALA 39 CO 0.00 0.51 -0.22 0.66 0.00 0.00 0.00 179.25 180.19 3knm h SER 40 N 0.00 0.39 -0.34 0.00 4.64 -1.39 -2.78 113.55 114.08 3knm h SER 40 Ca -0.03 -0.56 -0.18 0.00 -0.47 0.00 0.00 61.79 60.55 3knm h SER 40 Cb 1.32 -0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 63.19 3knm h SER 40 CO 0.04 0.88 0.23 2.30 -0.87 0.00 0.00 176.83 179.41 3knm n ILE 41 N -4.49 1.80 0.00 0.95 -5.35 -1.24 -4.92 119.36 106.11 3knm n ILE 41 Ca -0.07 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3knm n ILE 41 Cb 0.43 -0.86 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 3knm n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knm n GLY 42 N -0.01 0.57 2.89 3.28 0.00 -1.05 -4.45 105.19 106.42 3knm n GLY 42 Ca 0.20 0.52 -0.17 0.00 0.00 0.00 0.00 46.02 46.57 3knm n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3knm n GLN 43 N 0.00 0.00 0.00 1.61 3.00 -1.26 -3.12 117.38 117.61 3knm n GLN 43 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3knm n GLN 43 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 30.24 29.40 3knm n GLN 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3knm n LEU 44 N 4.53 0.00 -4.91 1.08 -0.00 -1.26 -5.02 117.00 111.43 3knm n LEU 44 Ca 0.53 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 56.26 3knm n LEU 44 Cb 0.14 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.60 3knm n LEU 44 CO 0.88 0.00 0.62 -0.55 -0.00 0.00 0.00 177.39 178.34 3knm s SER 45 N 0.00 5.43 -0.50 1.96 0.15 -1.18 -5.01 113.70 114.54 3knm s SER 45 Ca 0.00 0.82 0.07 0.00 0.70 0.00 0.00 55.95 57.54 3knm s SER 45 Cb 0.00 -1.70 0.26 0.00 -1.71 0.00 0.00 66.02 62.88 3knm s SER 45 CO 0.00 -1.23 0.66 0.00 1.20 0.00 0.00 173.24 173.87 3knm n GLN 46 N -2.77 1.65 0.00 5.44 10.64 -1.26 -5.06 117.38 126.02 3knm n GLN 46 Ca 0.06 -3.94 0.00 0.00 -1.83 0.00 0.00 57.00 51.29 3knm n GLN 46 Cb 0.58 -1.75 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 3knm n GLN 46 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3knm n ASN 47 N 0.97 0.00 -0.04 2.61 3.02 -1.26 -3.04 115.26 117.53 3knm n ASN 47 Ca 0.26 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.84 3knm n ASN 47 Cb 0.48 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.72 3knm n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knm n HIS 48 N 0.00 0.13 0.23 3.10 1.44 -1.26 0.83 115.22 119.70 3knm n HIS 48 Ca 0.00 0.14 0.09 0.00 -2.01 0.00 0.00 57.72 55.94 3knm n HIS 48 Cb 0.00 -0.62 0.50 0.00 0.12 0.00 0.00 29.99 29.98 3knm n HIS 48 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 3knm h LYS 49 N 0.00 0.00 0.00 -1.40 3.64 -1.98 -0.60 116.57 116.22 3knm h LYS 49 Ca 0.10 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3knm h LYS 49 Cb 0.26 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3knm h LYS 49 CO -0.09 0.00 -0.22 0.97 -2.27 0.00 0.00 179.45 177.85 3knm h ILE 50 N 0.00 1.06 0.00 2.00 2.10 0.15 -3.27 117.51 119.54 3knm h ILE 50 Ca 0.00 -1.86 -0.02 0.00 1.08 0.00 0.00 64.86 64.06 3knm h ILE 50 Cb 0.71 2.06 -0.00 0.00 -1.09 0.00 0.00 36.82 38.50 3knm h ILE 50 CO 0.00 0.36 -0.10 0.08 -1.08 0.00 0.00 178.15 177.40 3knm h ARG 51 N -1.00 0.00 -0.07 2.19 0.11 -1.42 -2.79 114.38 111.40 3knm h ARG 51 Ca -0.05 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.05 3knm h ARG 51 Cb 0.74 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.80 3knm h ARG 51 CO -0.03 0.10 -0.04 -0.44 0.10 0.00 0.00 179.97 179.67 3knm h ASP 52 N 0.00 -0.12 -0.31 0.08 3.32 -1.27 -1.33 116.42 116.80 3knm h ASP 52 Ca -0.00 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3knm h ASP 52 Cb 0.57 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3knm h ASP 52 CO 0.01 -0.05 0.10 -0.07 -1.72 0.00 0.00 179.24 177.52 3knm h LEU 53 N -0.03 0.44 -0.75 1.55 3.38 -1.56 0.44 115.31 118.78 3knm h LEU 53 Ca 0.04 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 57.98 3knm h LEU 53 Cb 0.10 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 3knm h LEU 53 CO -0.09 0.52 0.21 0.11 0.09 0.00 0.00 178.44 179.28 3knm h LYS 54 N 0.34 0.30 0.00 1.13 1.79 -1.26 0.48 116.57 119.36 3knm h LYS 54 Ca 0.10 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 3knm h LYS 54 Cb 0.23 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3knm h LYS 54 CO -0.00 0.20 -0.39 0.00 -1.08 0.00 0.00 179.45 178.17 3knm h ARG 55 N 0.31 0.00 0.56 3.15 3.08 -0.79 -0.86 114.38 119.84 3knm h ARG 55 Ca 0.42 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.44 3knm h ARG 55 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.77 3knm h ARG 55 CO -0.49 0.39 -0.27 1.96 -1.07 0.00 0.00 179.97 180.49 3knm h GLN 56 N 0.00 -0.73 -0.52 0.04 1.08 0.30 0.21 115.11 115.49 3knm h GLN 56 Ca -0.00 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.35 3knm h GLN 56 Cb 1.30 0.17 -0.11 0.00 -0.05 0.00 0.00 27.48 28.79 3knm h GLN 56 CO 0.05 -0.46 -0.27 0.82 -0.95 0.00 0.00 178.83 178.03 3knm h ILE 57 N -0.83 0.27 -0.14 2.54 1.08 -0.12 -0.30 117.51 120.00 3knm h ILE 57 Ca -0.08 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.41 3knm h ILE 57 Cb 0.61 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 3knm h ILE 57 CO 0.13 0.00 -0.27 0.00 -0.69 0.00 0.00 178.15 177.32 3knm h ALA 58 N 1.11 -0.59 -0.74 1.87 0.00 -0.66 0.35 119.26 120.61 3knm h ALA 58 Ca 0.23 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.26 3knm h ALA 58 Cb 0.51 0.86 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 3knm h ALA 58 CO -0.60 -0.70 -0.30 0.00 0.00 0.00 0.00 179.25 177.64 3knm h ARG 59 N -0.23 -0.07 0.00 0.00 3.08 0.52 0.21 114.38 117.89 3knm h ARG 59 Ca 0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3knm h ARG 59 Cb 0.31 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3knm h ARG 59 CO -0.26 -0.05 0.00 1.28 -1.07 0.00 0.00 179.97 179.87 3knm n LEU 60 N -5.47 0.00 -0.45 3.04 4.77 -0.23 -1.55 117.00 117.10 3knm n LEU 60 Ca 0.08 0.68 0.39 0.00 -0.03 0.00 0.00 56.01 57.13 3knm n LEU 60 Cb 0.38 -0.18 0.60 0.00 -2.33 0.00 0.00 43.42 41.90 3knm n LEU 60 CO -0.03 -0.18 1.30 0.18 -1.33 0.00 0.00 177.39 177.34 3knm n LEU 61 N -1.27 0.00 0.08 2.23 4.77 0.01 0.18 117.00 123.00 3knm n LEU 61 Ca 0.00 0.83 -0.12 0.00 -0.03 0.00 0.00 56.01 56.69 3knm n LEU 61 Cb 0.00 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 3knm n LEU 61 CO 0.00 -0.83 0.50 0.74 -1.33 0.00 0.00 177.39 176.46 3knm h THR 62 N 0.00 0.90 0.31 -5.08 2.02 -0.27 -2.48 112.91 108.32 3knm h THR 62 Ca 0.69 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3knm h THR 62 Cb 3.20 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 71.01 3knm h THR 62 CO -0.01 0.20 -0.35 0.58 0.37 0.00 0.00 175.52 176.31 3knm h VAL 63 N -0.75 0.00 -0.88 3.16 2.07 0.30 -0.35 116.25 119.80 3knm h VAL 63 Ca -0.02 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.84 3knm h VAL 63 Cb 0.51 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.12 3knm h VAL 63 CO 0.04 0.00 0.40 -0.11 0.02 0.00 0.00 177.57 177.92 3knm n LEU 64 N -4.53 0.24 0.01 2.57 0.00 -0.27 0.20 117.00 115.22 3knm n LEU 64 Ca -0.08 1.47 -0.13 0.00 0.00 0.00 0.00 56.01 57.27 3knm n LEU 64 Cb 0.32 -0.69 -0.09 0.00 0.00 0.00 0.00 43.42 42.96 3knm n LEU 64 CO 0.17 -1.62 0.63 -1.13 0.00 0.00 0.00 177.39 175.44 3knm h ASN 65 N 0.00 -0.04 -0.68 1.96 -0.00 -0.79 -1.86 115.58 114.16 3knm h ASN 65 Ca 0.71 -0.41 0.07 0.00 -0.00 0.00 0.00 56.30 56.66 3knm h ASN 65 Cb 1.83 0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 40.12 3knm h ASN 65 CO -0.71 0.40 0.45 1.05 -0.00 0.00 0.00 177.43 178.62 3knm h GLU 66 N -0.50 0.66 -0.65 6.67 4.11 0.39 -0.59 114.58 124.67 3knm h GLU 66 Ca -0.01 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 3knm h GLU 66 Cb 0.46 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3knm h GLU 66 CO 0.01 0.44 0.12 0.87 0.07 0.00 0.00 179.01 180.52 3knm h LYS 67 N 0.68 1.07 -2.52 1.06 1.79 -0.09 -3.10 116.57 115.46 3knm h LYS 67 Ca 0.30 -0.28 -0.35 0.00 -2.18 0.00 0.00 60.65 58.14 3knm h LYS 67 Cb 0.28 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 3knm h LYS 67 CO -0.10 0.98 1.32 0.54 -1.08 0.00 0.00 179.45 181.11 3knm n ARG 68 N -4.26 2.44 -2.40 3.15 1.74 -0.23 -3.14 116.66 113.97 3knm n ARG 68 Ca 0.04 -1.37 -0.03 0.00 -0.77 0.00 0.00 57.85 55.72 3knm n ARG 68 Cb 0.28 -2.27 0.06 0.00 -1.02 0.00 0.00 32.46 29.51 3knm n ARG 68 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knm n ARG 69 N 3.04 0.74 0.00 5.56 1.74 -1.17 -4.77 116.66 121.80 3knm n ARG 69 Ca 0.52 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 3knm n ARG 69 Cb 0.57 0.12 0.00 0.00 -1.02 0.00 0.00 32.46 32.13 3knm n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knm n GLN 70 N -0.74 0.00 -0.44 5.56 10.64 -1.19 -4.79 117.38 126.43 3knm n GLN 70 Ca -0.13 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.12 3knm n GLN 70 Cb 0.73 -0.18 0.26 0.00 -0.86 0.00 0.00 30.24 30.19 3knm n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3knm n ASN 71 N -1.63 3.94 0.00 2.61 3.02 -1.26 -5.22 115.26 116.73 3knm n ASN 71 Ca 0.00 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 3knm n ASN 71 Cb 0.00 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 3knm n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64