#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s ARG 3 N 0.00 3.45 -0.64 -0.52 3.52 -1.26 -5.07 118.95 118.43 3knk s ARG 3 Ca 0.00 -0.33 0.05 0.00 -0.13 0.00 0.00 55.73 55.32 3knk s ARG 3 Cb 0.00 -3.03 0.18 0.00 -1.56 0.00 0.00 34.95 30.54 3knk s ARG 3 CO 0.00 0.56 0.50 0.00 -0.81 0.00 0.00 175.30 175.54 3knk n ALA 4 N 2.63 3.37 -0.75 6.12 0.00 -1.26 -5.10 120.51 125.52 3knk n ALA 4 Ca -0.18 -4.28 -0.33 0.00 0.00 0.00 0.00 53.44 48.65 3knk n ALA 4 Cb 0.53 -0.96 0.14 0.00 0.00 0.00 0.00 19.45 19.16 3knk n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3knk n LYS 5 N 1.98 -0.90 0.05 0.00 0.00 -1.26 -4.72 118.16 113.32 3knk n LYS 5 Ca 0.23 -0.23 0.04 0.00 -0.00 0.00 0.00 58.31 58.34 3knk n LYS 5 Cb 0.38 -1.74 0.19 0.00 -0.00 0.00 0.00 35.03 33.86 3knk n LYS 5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3knk n THR 6 N -3.96 1.64 0.00 0.58 -1.04 -1.26 -4.75 114.28 105.49 3knk n THR 6 Ca 0.03 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 3knk n THR 6 Cb 0.58 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 3knk n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3knk n GLY 7 N -1.42 0.00 0.33 3.41 0.00 -1.26 -3.14 105.19 103.10 3knk n GLY 7 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3knk n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3knk h VAL 8 N 0.00 0.41 0.00 1.61 2.07 -2.00 -3.41 116.25 114.93 3knk h VAL 8 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3knk h VAL 8 Cb 0.00 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3knk h VAL 8 CO 0.00 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.11 3knk n VAL 9 N -5.42 0.00 -0.15 2.57 0.31 -1.19 -3.33 118.33 111.12 3knk n VAL 9 Ca -0.12 0.74 -0.13 0.00 -0.01 0.00 0.00 64.34 64.83 3knk n VAL 9 Cb 0.32 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 3knk n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3knk h ARG 10 N 0.00 -0.35 -0.98 5.55 2.43 -1.79 0.27 114.38 119.51 3knk h ARG 10 Ca 0.00 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.49 3knk h ARG 10 Cb 0.00 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 29.48 3knk h ARG 10 CO 0.00 -0.23 0.49 -0.09 -1.51 0.00 0.00 179.97 178.62 3knk h ARG 11 N -0.37 0.29 0.07 0.20 2.43 -1.84 0.32 114.38 115.48 3knk h ARG 11 Ca 0.10 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3knk h ARG 11 Cb 0.59 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3knk h ARG 11 CO -0.61 0.19 -0.14 0.00 -1.51 0.00 0.00 179.97 177.91 3knk h ARG 12 N 0.30 -0.25 0.00 0.20 3.08 -0.51 0.11 114.38 117.31 3knk h ARG 12 Ca 0.69 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.74 3knk h ARG 12 Cb 1.53 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.64 3knk h ARG 12 CO -0.62 -0.17 -0.09 0.87 -1.07 0.00 0.00 179.97 178.89 3knk h LYS 13 N -0.26 0.00 0.00 0.04 1.57 0.50 -2.86 116.57 115.56 3knk h LYS 13 Ca 0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3knk h LYS 13 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3knk h LYS 13 CO -0.09 0.09 -0.36 0.45 -0.57 0.00 0.00 179.45 178.98 3knk h HIS 14 N 0.00 0.00 0.00 -1.35 3.86 -0.79 -2.84 115.15 114.03 3knk h HIS 14 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3knk h HIS 14 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3knk h HIS 14 CO 0.00 0.96 0.00 0.36 0.86 0.00 0.00 177.93 180.11 3knk n LYS 15 N -4.58 0.59 0.00 2.45 0.00 0.34 0.20 118.16 117.16 3knk n LYS 15 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 3knk n LYS 15 Cb 0.46 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 34.25 3knk n LYS 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3knk n LYS 16 N 0.47 1.78 0.01 -1.58 4.81 -1.09 -4.49 118.16 118.07 3knk n LYS 16 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 3knk n LYS 16 Cb 0.23 -0.99 -0.01 0.00 0.02 0.00 0.00 35.03 34.28 3knk n LYS 16 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3knk h ILE 17 N 0.00 0.00 -1.02 3.15 1.08 0.01 -3.26 117.51 117.47 3knk h ILE 17 Ca 0.00 -0.74 0.33 0.00 -0.39 0.00 0.00 64.86 64.06 3knk h ILE 17 Cb 0.99 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.59 3knk h ILE 17 CO 0.00 0.00 0.58 -0.07 -0.69 0.00 0.00 178.15 177.97 3knk h LEU 18 N -0.85 0.51 0.07 1.44 3.38 -1.39 0.57 115.31 119.04 3knk h LEU 18 Ca -0.01 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3knk h LEU 18 Cb 0.08 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3knk h LEU 18 CO 0.02 -0.13 -0.31 0.11 0.09 0.00 0.00 178.44 178.21 3knk h LYS 19 N 0.32 -0.49 0.00 1.13 1.57 -1.78 0.32 116.57 117.64 3knk h LYS 19 Ca 0.74 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.55 3knk h LYS 19 Cb 1.71 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.13 3knk h LYS 19 CO -0.59 -0.33 0.00 -0.11 -0.57 0.00 0.00 179.45 177.85 3knk n LEU 20 N -5.41 0.00 -0.00 2.94 -0.00 0.19 -2.84 117.00 111.88 3knk n LEU 20 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.98 3knk n LEU 20 Cb 0.32 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.70 3knk n LEU 20 CO 0.22 0.00 -0.52 0.00 -0.00 0.00 0.00 177.39 177.08 3knk n ALA 21 N -0.84 2.27 -1.58 1.96 0.00 0.11 -5.06 120.51 117.37 3knk n ALA 21 Ca 0.04 -0.14 -0.48 0.00 0.00 0.00 0.00 53.44 52.86 3knk n ALA 21 Cb 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 3knk n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knk n LYS 22 N -1.66 1.17 0.00 0.00 4.76 -0.89 -2.73 118.16 118.81 3knk n LYS 22 Ca -0.01 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 3knk n LYS 22 Cb 0.15 -1.88 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 3knk n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knk n GLY 23 N 1.89 1.32 3.90 0.72 0.00 -1.26 -5.09 105.19 106.66 3knk n GLY 23 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3knk n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knk s TYR 24 N -2.06 3.22 0.00 1.61 4.12 -1.11 -5.07 117.35 118.06 3knk s TYR 24 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 57.07 57.97 3knk s TYR 24 Cb 0.00 -3.10 0.00 0.00 -1.52 0.00 0.00 41.96 37.34 3knk s TYR 24 CO 0.00 -1.24 0.00 1.87 0.02 0.00 0.00 175.55 176.20 3knk n TRP 25 N -2.98 -0.92 0.00 2.71 -0.00 -1.26 -4.59 117.44 110.40 3knk n TRP 25 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 3knk n TRP 25 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.89 3knk n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3knk n GLY 26 N 0.00 -0.56 0.12 5.87 0.00 -1.26 -3.43 105.19 105.92 3knk n GLY 26 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3knk n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knk n LEU 27 N -0.00 0.69 0.00 0.99 4.77 -1.26 -2.77 117.00 119.42 3knk n LEU 27 Ca 0.00 0.63 0.02 0.00 -0.03 0.00 0.00 56.01 56.63 3knk n LEU 27 Cb 0.00 -0.48 0.11 0.00 -2.33 0.00 0.00 43.42 40.72 3knk n LEU 27 CO 0.00 -0.41 0.37 0.54 -1.33 0.00 0.00 177.39 176.56 3knk n ARG 28 N -2.22 0.55 0.00 3.23 1.74 -1.22 -0.22 116.66 118.52 3knk n ARG 28 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3knk n ARG 28 Cb 0.30 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3knk n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3knk n SER 29 N -0.60 0.00 -0.08 0.55 3.41 -1.17 -4.58 113.62 111.15 3knk n SER 29 Ca 0.03 -0.44 -0.17 0.00 -0.26 0.00 0.00 58.87 58.03 3knk n SER 29 Cb 0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 3knk n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3knk n LYS 30 N 0.00 0.37 -2.65 4.33 4.76 -0.92 -4.75 118.16 119.30 3knk n LYS 30 Ca 0.00 0.15 -0.43 0.00 -2.87 0.00 0.00 58.31 55.16 3knk n LYS 30 Cb 0.11 -1.14 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 3knk n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3knk s SER 31 N -6.35 6.90 0.40 4.39 0.15 0.69 -4.92 113.70 114.96 3knk s SER 31 Ca -0.23 1.00 0.36 0.00 0.70 0.00 0.00 55.95 57.77 3knk s SER 31 Cb 0.09 -2.54 1.24 0.00 -1.71 0.00 0.00 66.02 63.10 3knk s SER 31 CO 0.31 -0.89 1.12 2.22 1.20 0.00 0.00 173.24 177.20 3knk n PHE 32 N 6.90 0.03 -0.02 3.44 -1.74 -1.26 -1.71 117.46 123.10 3knk n PHE 32 Ca 0.12 0.03 -0.03 0.00 -0.56 0.00 0.00 57.45 57.00 3knk n PHE 32 Cb 0.47 -0.39 -0.02 0.00 1.52 0.00 0.00 39.48 41.06 3knk n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 3knk n ARG 33 N -3.42 0.10 0.12 3.97 1.85 -1.26 -4.51 116.66 113.50 3knk n ARG 33 Ca 0.32 0.03 0.04 0.00 -1.00 0.00 0.00 57.85 57.24 3knk n ARG 33 Cb 1.44 -0.97 0.21 0.00 -1.05 0.00 0.00 32.46 32.09 3knk n ARG 33 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3knk n LYS 34 N -2.76 0.06 0.02 2.89 4.76 -0.69 0.16 118.16 122.59 3knk n LYS 34 Ca -0.07 0.47 -0.04 0.00 -2.87 0.00 0.00 58.31 55.79 3knk n LYS 34 Cb 0.57 -2.02 -0.10 0.00 -1.84 0.00 0.00 35.03 31.64 3knk n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knk h ALA 35 N 0.98 0.67 -0.09 7.82 0.00 -1.52 -3.28 119.26 123.85 3knk h ALA 35 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 54.91 53.71 3knk h ALA 35 Cb 0.69 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3knk h ALA 35 CO 0.00 1.22 -0.38 -0.09 0.00 0.00 0.00 179.25 180.01 3knk h ARG 36 N 0.00 0.41 -0.27 0.00 2.43 0.13 -1.09 114.38 115.99 3knk h ARG 36 Ca -0.19 -0.32 0.03 0.00 -0.81 0.00 0.00 59.98 58.69 3knk h ARG 36 Cb 1.78 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 3knk h ARG 36 CO 0.07 0.96 0.18 0.93 -1.51 0.00 0.00 179.97 180.60 3knk h GLU 37 N -0.05 0.25 -0.49 0.20 5.08 -1.68 -0.25 114.58 117.65 3knk h GLU 37 Ca -0.02 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3knk h GLU 37 Cb 1.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3knk h GLU 37 CO 0.08 0.16 -0.21 1.15 -1.00 0.00 0.00 179.01 179.19 3knk h THR 38 N 0.25 1.27 0.65 1.13 2.02 -1.56 -2.80 112.91 113.87 3knk h THR 38 Ca 0.11 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 3knk h THR 38 Cb 0.13 1.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3knk h THR 38 CO -0.02 0.48 -0.31 -0.07 0.37 0.00 0.00 175.52 175.96 3knk h LEU 39 N 0.86 -0.74 -0.25 2.58 3.38 0.16 -2.99 115.31 118.31 3knk h LEU 39 Ca 0.11 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3knk h LEU 39 Cb 0.79 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3knk h LEU 39 CO 0.07 -0.39 -0.15 0.49 0.09 0.00 0.00 178.44 178.55 3knk n PHE 40 N -5.09 -0.11 -0.29 1.13 0.99 -0.25 0.14 117.46 113.99 3knk n PHE 40 Ca -0.11 0.31 -0.07 0.00 -0.00 0.00 0.00 57.45 57.58 3knk n PHE 40 Cb 0.34 -0.39 -0.06 0.00 -1.00 0.00 0.00 39.48 38.36 3knk n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3knk n ALA 41 N -3.04 -0.43 0.13 4.37 0.00 -1.06 -1.21 120.51 119.28 3knk n ALA 41 Ca 0.00 0.60 -0.06 0.00 0.00 0.00 0.00 53.44 53.98 3knk n ALA 41 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 3knk n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk h ALA 42 N 0.39 -0.42 0.00 0.00 0.00 0.14 0.12 119.26 119.49 3knk h ALA 42 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3knk h ALA 42 Cb 0.30 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3knk h ALA 42 CO -0.66 -0.39 0.73 0.78 0.00 0.00 0.00 179.25 179.70 3knk h GLY 43 N -1.11 0.00 0.00 0.00 0.00 0.17 1.04 103.07 103.18 3knk h GLY 43 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 3knk h GLY 43 CO 0.07 0.00 -1.28 -2.01 0.00 0.00 0.00 176.54 173.32 3knk n ASN 44 N -1.99 1.90 0.00 0.19 2.85 -0.35 -4.40 115.26 113.47 3knk n ASN 44 Ca -0.00 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 3knk n ASN 44 Cb 0.73 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 40.93 3knk n ASN 44 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3knk n TYR 45 N -4.45 0.00 -0.17 1.20 0.53 0.35 -2.78 117.16 111.84 3knk n TYR 45 Ca -0.24 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.66 3knk n TYR 45 Cb 0.57 -0.25 0.06 0.00 -1.03 0.00 0.00 39.34 38.68 3knk n TYR 45 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3knk n ALA 46 N -1.67 0.09 -0.10 -0.72 0.00 -0.76 -0.23 120.51 117.11 3knk n ALA 46 Ca 0.00 0.51 -0.08 0.00 0.00 0.00 0.00 53.44 53.86 3knk n ALA 46 Cb 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 3knk n ALA 46 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3knk h TYR 47 N 0.00 -1.07 -0.02 0.00 3.20 -1.72 0.52 116.97 117.88 3knk h TYR 47 Ca 0.22 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.15 3knk h TYR 47 Cb 0.33 0.50 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 3knk h TYR 47 CO -0.37 -0.30 0.06 0.00 -1.64 0.00 0.00 178.16 175.92 3knk h ALA 48 N -0.48 1.22 0.05 1.82 0.00 -0.64 -1.39 119.26 119.83 3knk h ALA 48 Ca 0.05 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 3knk h ALA 48 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3knk h ALA 48 CO -0.39 -0.07 -1.04 0.45 0.00 0.00 0.00 179.25 178.20 3knk h HIS 49 N 0.00 0.31 0.00 0.00 3.86 0.31 -0.88 115.15 118.76 3knk h HIS 49 Ca 0.01 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 3knk h HIS 49 Cb 0.13 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3knk h HIS 49 CO 0.00 1.10 0.00 0.54 0.86 0.00 0.00 177.93 180.43 3knk n ARG 50 N -3.55 0.01 -0.01 2.45 1.74 0.50 0.21 116.66 118.01 3knk n ARG 50 Ca -0.05 0.17 0.10 0.00 -0.77 0.00 0.00 57.85 57.31 3knk n ARG 50 Cb 0.92 -1.51 -0.16 0.00 -1.02 0.00 0.00 32.46 30.69 3knk n ARG 50 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knk n LYS 51 N -1.52 0.60 0.06 5.56 4.76 -1.16 -4.11 118.16 122.34 3knk n LYS 51 Ca 0.05 -0.17 -0.14 0.00 -2.87 0.00 0.00 58.31 55.17 3knk n LYS 51 Cb 0.23 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.78 3knk n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knk h ARG 52 N 0.00 0.18 -0.73 1.97 2.47 0.93 -3.34 114.38 115.86 3knk h ARG 52 Ca 0.00 -0.31 0.16 0.00 -1.26 0.00 0.00 59.98 58.58 3knk h ARG 52 Cb 0.91 0.11 -0.12 0.00 -1.65 0.00 0.00 29.97 29.22 3knk h ARG 52 CO 0.00 1.04 0.04 -0.09 0.56 0.00 0.00 179.97 181.51 3knk h ARG 53 N 0.05 0.13 0.00 0.04 2.43 0.23 0.20 114.38 117.46 3knk h ARG 53 Ca -0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3knk h ARG 53 Cb 1.96 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 3knk h ARG 53 CO 0.15 0.08 0.00 1.63 -1.51 0.00 0.00 179.97 180.33 3knk n LYS 54 N -5.30 0.00 -0.28 0.20 4.76 -1.25 -2.00 118.16 114.29 3knk n LYS 54 Ca 0.13 0.21 0.07 0.00 -2.87 0.00 0.00 58.31 55.86 3knk n LYS 54 Cb 0.46 -0.88 0.19 0.00 -1.84 0.00 0.00 35.03 32.96 3knk n LYS 54 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3knk h ARG 55 N 0.00 0.09 -1.50 1.97 0.11 -1.68 2.02 114.38 115.38 3knk h ARG 55 Ca 0.00 -0.01 0.44 0.00 0.10 0.00 0.00 59.98 60.52 3knk h ARG 55 Cb 0.00 -0.02 -0.08 0.00 1.11 0.00 0.00 29.97 30.98 3knk h ARG 55 CO 0.00 0.06 1.05 -0.44 0.10 0.00 0.00 179.97 180.74 3knk h ASP 56 N 0.09 0.09 0.00 0.08 3.32 -0.45 0.13 116.42 119.68 3knk h ASP 56 Ca 0.46 0.04 -0.23 0.00 0.02 0.00 0.00 57.03 57.31 3knk h ASP 56 Cb 0.84 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 3knk h ASP 56 CO -0.73 -0.04 -1.87 0.49 -1.72 0.00 0.00 179.24 175.38 3knk n PHE 57 N -4.24 0.00 -0.36 4.55 0.99 0.20 -3.84 117.46 114.75 3knk n PHE 57 Ca 0.35 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.85 3knk n PHE 57 Cb 1.55 -0.62 0.12 0.00 -1.00 0.00 0.00 39.48 39.53 3knk n PHE 57 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3knk n ARG 58 N -2.56 -0.12 0.35 -1.08 1.74 0.63 -1.18 116.66 114.44 3knk n ARG 58 Ca -0.22 1.55 -0.14 0.00 -0.77 0.00 0.00 57.85 58.27 3knk n ARG 58 Cb 0.89 -2.31 -0.07 0.00 -1.02 0.00 0.00 32.46 29.95 3knk n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knk h ARG 59 N 0.00 -0.90 -0.98 5.56 3.08 -1.10 -3.26 114.38 116.79 3knk h ARG 59 Ca 0.45 0.06 0.31 0.00 0.07 0.00 0.00 59.98 60.88 3knk h ARG 59 Cb 0.70 0.20 -0.15 0.00 0.08 0.00 0.00 29.97 30.80 3knk h ARG 59 CO -1.02 -0.60 0.47 1.25 -1.07 0.00 0.00 179.97 179.01 3knk h LEU 60 N -1.25 0.34 -2.18 3.04 7.12 -1.34 2.21 115.31 123.25 3knk h LEU 60 Ca -0.09 0.20 0.04 0.00 0.13 0.00 0.00 57.88 58.16 3knk h LEU 60 Cb 0.71 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 41.03 3knk h LEU 60 CO 0.16 -0.19 0.12 -0.50 -0.13 0.00 0.00 178.44 177.90 3knk h TRP 61 N 0.25 0.00 0.00 1.25 6.55 -1.19 -3.09 115.95 119.72 3knk h TRP 61 Ca 0.70 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.54 3knk h TRP 61 Cb 1.60 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.90 3knk h TRP 61 CO -0.09 0.00 -0.00 0.82 -1.05 0.00 0.00 178.44 178.12 3knk h ILE 62 N 0.00 0.00 -0.34 1.49 1.08 0.36 -3.28 117.51 116.81 3knk h ILE 62 Ca 0.07 -0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.62 3knk h ILE 62 Cb 0.31 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.00 3knk h ILE 62 CO -0.00 0.00 -0.02 0.52 -0.69 0.00 0.00 178.15 177.96 3knk n VAL 63 N -2.00 -0.14 0.00 1.67 0.31 -0.76 -1.12 118.33 116.29 3knk n VAL 63 Ca -0.00 0.75 0.00 0.00 -0.01 0.00 0.00 64.34 65.08 3knk n VAL 63 Cb 0.00 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 3knk n VAL 63 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knk n ARG 64 N -4.36 0.00 -0.16 5.55 1.74 -1.17 -3.64 116.66 114.61 3knk n ARG 64 Ca 0.07 0.16 0.10 0.00 -0.77 0.00 0.00 57.85 57.41 3knk n ARG 64 Cb 0.23 -0.97 0.19 0.00 -1.02 0.00 0.00 32.46 30.89 3knk n ARG 64 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3knk n ILE 65 N -0.97 -0.20 0.18 0.55 5.41 -0.27 -1.39 119.36 122.66 3knk n ILE 65 Ca 0.00 1.03 -0.09 0.00 1.00 0.00 0.00 62.75 64.69 3knk n ILE 65 Cb 0.00 -1.56 -0.05 0.00 -0.71 0.00 0.00 39.64 37.32 3knk n ILE 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3knk h ASN 66 N 0.00 -0.64 0.00 4.38 -1.24 -1.46 0.86 115.58 117.48 3knk h ASN 66 Ca 0.33 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.38 3knk h ASN 66 Cb 0.76 0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.01 3knk h ASN 66 CO -0.42 -0.34 0.00 0.00 -1.29 0.00 0.00 177.43 175.37 3knk n ALA 67 N -2.46 2.33 -0.08 1.57 0.00 -0.48 -1.15 120.51 120.23 3knk n ALA 67 Ca -0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 3knk n ALA 67 Cb 0.23 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 3knk n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n ALA 68 N -0.69 0.51 1.42 0.00 0.00 -0.58 -4.14 120.51 117.02 3knk n ALA 68 Ca 0.07 -0.44 0.14 0.00 0.00 0.00 0.00 53.44 53.21 3knk n ALA 68 Cb 0.03 -0.08 0.74 0.00 0.00 0.00 0.00 19.45 20.14 3knk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk h ARG 70 N 0.00 0.00 0.00 0.00 3.08 -1.28 0.28 114.38 116.46 3knk h ARG 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3knk h ARG 70 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3knk h ARG 70 CO 0.00 0.17 0.00 1.04 -1.07 0.00 0.00 179.97 180.11 3knk n GLN 71 N -3.33 0.94 0.00 0.04 6.02 -0.94 -0.77 117.38 119.34 3knk n GLN 71 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3knk n GLN 71 Cb 0.39 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 30.52 3knk n GLN 71 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3knk n HIS 72 N -0.63 0.00 0.00 1.08 8.25 0.84 -5.08 115.22 119.68 3knk n HIS 72 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3knk n HIS 72 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3knk n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knk n GLY 73 N 0.25 2.11 3.67 -1.41 0.00 0.05 -5.05 105.19 104.82 3knk n GLY 73 Ca 0.00 -0.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.90 3knk n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3knk n LEU 74 N 0.00 3.18 -4.63 0.99 -0.00 -1.25 -4.66 117.00 110.64 3knk n LEU 74 Ca 0.00 1.08 -0.29 0.00 -0.00 0.00 0.00 56.01 56.80 3knk n LEU 74 Cb 0.00 -1.44 0.19 0.00 -0.00 0.00 0.00 43.42 42.18 3knk n LEU 74 CO 0.00 -0.24 0.61 0.54 -0.00 0.00 0.00 177.39 178.30 3knk s ASN 75 N 1.06 2.25 0.15 1.45 2.20 -1.26 -4.07 114.94 116.72 3knk s ASN 75 Ca 0.79 1.39 -0.18 0.00 -0.94 0.00 0.00 52.86 53.92 3knk s ASN 75 Cb -0.66 -2.08 0.03 0.00 -2.00 0.00 0.00 41.25 36.54 3knk s ASN 75 CO 0.38 -3.39 1.72 0.22 -2.94 0.00 0.00 177.10 173.09 3knk h TYR 76 N -2.07 0.03 0.00 1.54 3.20 -1.91 -2.12 116.97 115.65 3knk h TYR 76 Ca -0.55 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.34 3knk h TYR 76 Cb 1.32 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.62 3knk h TYR 76 CO 0.31 -0.02 0.00 -1.13 -1.64 0.00 0.00 178.16 175.68 3knk n SER 77 N -5.13 0.24 0.00 -2.11 3.41 -1.26 -2.41 113.62 106.36 3knk n SER 77 Ca -0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3knk n SER 77 Cb 0.14 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3knk n SER 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3knk n THR 78 N 0.47 0.00 0.00 6.66 -1.04 -0.80 -4.68 114.28 114.89 3knk n THR 78 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3knk n THR 78 Cb 0.05 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 3knk n THR 78 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3knk n PHE 79 N 0.00 0.00 -0.29 -1.42 7.35 -1.01 0.88 117.46 122.97 3knk n PHE 79 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 3knk n PHE 79 Cb 0.00 0.00 0.03 0.00 0.35 0.00 0.00 39.48 39.86 3knk n PHE 79 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3knk h ILE 80 N 0.00 0.10 -0.84 -2.13 1.08 -1.87 0.77 117.51 114.61 3knk h ILE 80 Ca 0.00 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.64 3knk h ILE 80 Cb 0.00 0.10 -0.10 0.00 -3.07 0.00 0.00 36.82 33.75 3knk h ILE 80 CO 0.00 0.00 0.39 -0.74 -0.69 0.00 0.00 178.15 177.11 3knk h HIS 81 N -0.08 0.67 -0.07 1.37 2.76 0.23 0.91 115.15 120.94 3knk h HIS 81 Ca 0.30 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3knk h HIS 81 Cb 0.58 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.37 3knk h HIS 81 CO -0.74 0.08 0.00 0.41 -1.30 0.00 0.00 177.93 176.39 3knk n GLY 82 N -1.33 -0.46 0.11 5.26 0.00 0.12 -2.02 105.19 106.87 3knk n GLY 82 Ca 0.18 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 3knk n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knk n LEU 83 N -0.33 1.91 0.08 0.99 4.32 0.30 -1.92 117.00 122.35 3knk n LEU 83 Ca 0.15 0.40 -0.05 0.00 -0.02 0.00 0.00 56.01 56.49 3knk n LEU 83 Cb 0.18 -0.86 0.13 0.00 -1.62 0.00 0.00 43.42 41.25 3knk n LEU 83 CO 0.12 0.21 0.50 0.50 -1.22 0.00 0.00 177.39 177.50 3knk h LYS 84 N -1.00 0.26 -0.09 3.23 1.63 -1.36 1.39 116.57 120.62 3knk h LYS 84 Ca -0.39 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.23 3knk h LYS 84 Cb 1.28 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.93 3knk h LYS 84 CO -0.24 0.76 0.01 -0.22 -3.45 0.00 0.00 179.45 176.32 3knk h LYS 85 N 0.19 0.16 0.00 1.90 3.64 -1.59 0.23 116.57 121.10 3knk h LYS 85 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3knk h LYS 85 Cb 1.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3knk h LYS 85 CO 0.09 0.38 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 3knk n ALA 86 N -2.27 2.17 -0.32 5.00 0.00 -0.81 -4.82 120.51 119.46 3knk n ALA 86 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3knk n ALA 86 Cb 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3knk n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 87 N 0.17 1.46 3.04 0.00 0.00 0.80 -4.93 105.19 105.72 3knk n GLY 87 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3knk n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3knk n ILE 88 N -2.00 2.92 -2.69 -0.61 -5.35 0.46 -4.83 119.36 107.26 3knk n ILE 88 Ca 0.00 -2.68 -0.42 0.00 -0.27 0.00 0.00 62.75 59.38 3knk n ILE 88 Cb 0.00 -2.45 -0.02 0.00 -1.74 0.00 0.00 39.64 35.43 3knk n ILE 88 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3knk s GLU 89 N 4.15 3.66 0.00 6.28 -1.05 -1.26 -4.48 118.70 126.01 3knk s GLU 89 Ca 0.53 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 3knk s GLU 89 Cb 0.11 -5.24 0.00 0.00 -0.44 0.00 0.00 34.13 28.57 3knk s GLU 89 CO 0.02 -2.07 0.00 0.28 0.95 0.00 0.00 175.26 174.44 3knk n VAL 90 N 6.32 0.00 0.00 1.83 0.31 -1.26 -4.96 118.33 120.57 3knk n VAL 90 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 3knk n VAL 90 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 3knk n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3knk n ASP 91 N 0.00 0.00 -3.87 4.52 4.64 -1.26 -4.50 116.55 116.08 3knk n ASP 91 Ca 0.00 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.09 3knk n ASP 91 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.02 3knk n ASP 91 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3knk n ARG 92 N 0.00 -0.99 0.00 -0.67 3.00 -1.26 -0.29 116.66 116.46 3knk n ARG 92 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.85 57.94 3knk n ARG 92 Cb 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 32.46 28.47 3knk n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3knk n LYS 93 N -3.36 0.00 -0.08 5.56 4.01 -1.26 -4.57 118.16 118.45 3knk n LYS 93 Ca 0.09 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.87 3knk n LYS 93 Cb 0.39 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.89 3knk n LYS 93 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3knk n ASN 94 N 2.43 -0.21 -1.43 4.39 2.85 -0.89 -0.71 115.26 121.69 3knk n ASN 94 Ca 0.00 0.72 0.00 0.00 -0.11 0.00 0.00 54.58 55.19 3knk n ASN 94 Cb 0.00 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 40.79 3knk n ASN 94 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3knk n LEU 95 N -3.32 3.47 -1.60 1.20 4.77 0.60 -2.95 117.00 119.17 3knk n LEU 95 Ca 0.00 -1.60 -0.07 0.00 -0.03 0.00 0.00 56.01 54.31 3knk n LEU 95 Cb 0.05 -0.70 0.24 0.00 -2.33 0.00 0.00 43.42 40.68 3knk n LEU 95 CO -0.03 0.64 0.93 0.00 -1.33 0.00 0.00 177.39 177.60 3knk n ALA 96 N 1.31 4.47 1.18 -1.18 0.00 0.11 -3.18 120.51 123.22 3knk n ALA 96 Ca 0.00 -2.73 0.12 0.00 0.00 0.00 0.00 53.44 50.83 3knk n ALA 96 Cb 0.38 -1.04 0.24 0.00 0.00 0.00 0.00 19.45 19.03 3knk n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3knk n ASP 97 N -0.76 1.73 -0.04 0.00 5.75 -1.15 -2.92 116.55 119.16 3knk n ASP 97 Ca 0.40 -1.37 -0.15 0.00 -0.01 0.00 0.00 54.79 53.66 3knk n ASP 97 Cb 1.26 0.20 -0.08 0.00 -1.03 0.00 0.00 41.12 41.47 3knk n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3knk h LEU 98 N 2.34 0.54 -0.17 -2.12 3.38 -1.76 0.52 115.31 118.03 3knk h LEU 98 Ca 0.00 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.40 3knk h LEU 98 Cb 0.66 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3knk h LEU 98 CO 0.00 1.04 -0.04 0.00 0.09 0.00 0.00 178.44 179.53 3knk h ALA 99 N 0.51 0.11 -3.00 1.53 0.00 -1.79 -3.26 119.26 113.36 3knk h ALA 99 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3knk h ALA 99 Cb 0.99 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3knk h ALA 99 CO 0.08 -0.48 0.00 0.28 0.00 0.00 0.00 179.25 179.13 3knk n VAL 100 N -5.18 0.00 -3.30 0.00 0.31 -0.74 -4.15 118.33 105.26 3knk n VAL 100 Ca -0.03 0.85 -0.35 0.00 -0.01 0.00 0.00 64.34 64.79 3knk n VAL 100 Cb 0.11 -1.43 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 3knk n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3knk s ARG 101 N -0.69 4.03 -0.24 5.55 0.52 0.10 -4.65 118.95 123.56 3knk s ARG 101 Ca 0.00 0.56 -0.09 0.00 -0.52 0.00 0.00 55.73 55.68 3knk s ARG 101 Cb 0.00 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.58 3knk s ARG 101 CO 0.00 0.45 0.20 -0.85 0.02 0.00 0.00 175.30 175.12 3knk n GLU 102 N 0.73 -1.88 -0.11 3.54 0.28 -1.26 -4.46 120.64 117.48 3knk n GLU 102 Ca -0.04 1.72 -0.12 0.00 -0.16 0.00 0.00 57.16 58.55 3knk n GLU 102 Cb 0.52 -3.23 -0.03 0.00 1.43 0.00 0.00 31.44 30.13 3knk n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3knk h PRO 103 N 2.94 0.78 -0.95 3.44 0.13 -1.72 -3.34 132.00 133.28 3knk h PRO 103 Ca -0.10 -0.38 0.16 0.00 -0.87 0.00 0.00 66.00 64.81 3knk h PRO 103 Cb 0.76 -0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.72 3knk h PRO 103 CO 0.10 1.00 -0.34 0.00 -0.23 0.00 0.00 178.00 178.53 3knk n GLN 104 N -4.24 -0.19 -0.24 0.86 -0.00 -1.26 0.30 117.38 112.61 3knk n GLN 104 Ca -0.03 1.47 0.02 0.00 -0.00 0.00 0.00 57.00 58.47 3knk n GLN 104 Cb 0.45 -2.18 0.11 0.00 -0.00 0.00 0.00 30.24 28.62 3knk n GLN 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3knk h VAL 105 N 0.00 0.36 -0.65 -0.39 2.07 -1.92 1.20 116.25 116.92 3knk h VAL 105 Ca 0.36 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.86 3knk h VAL 105 Cb 0.60 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3knk h VAL 105 CO -0.95 0.01 0.41 0.15 0.02 0.00 0.00 177.57 177.20 3knk h PHE 106 N 0.06 0.84 -0.33 1.57 3.57 0.43 0.10 116.94 123.19 3knk h PHE 106 Ca 0.36 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3knk h PHE 106 Cb 0.60 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3knk h PHE 106 CO -0.46 0.55 0.18 0.00 -2.23 0.00 0.00 178.31 176.35 3knk h ALA 107 N 1.56 1.70 -0.24 2.41 0.00 0.53 -1.22 119.26 124.00 3knk h ALA 107 Ca 0.24 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3knk h ALA 107 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3knk h ALA 107 CO -0.05 0.26 -0.32 0.93 0.00 0.00 0.00 179.25 180.07 3knk h GLU 108 N 0.45 0.64 -0.51 0.00 5.08 0.16 -3.11 114.58 117.29 3knk h GLU 108 Ca 0.12 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3knk h GLU 108 Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3knk h GLU 108 CO -0.02 0.98 0.16 -0.07 -1.00 0.00 0.00 179.01 179.06 3knk h LEU 109 N 0.35 0.69 -0.99 1.33 3.38 -0.35 -1.36 115.31 118.37 3knk h LEU 109 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3knk h LEU 109 Cb 0.89 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3knk h LEU 109 CO 0.07 0.66 0.48 0.58 0.09 0.00 0.00 178.44 180.32 3knk h VAL 110 N 0.74 1.25 0.00 1.22 2.07 -1.26 -2.90 116.25 117.36 3knk h VAL 110 Ca 0.17 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3knk h VAL 110 Cb 0.21 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3knk h VAL 110 CO -0.01 0.27 0.00 -0.62 0.02 0.00 0.00 177.57 177.23 3knk n GLU 111 N -4.34 0.00 -0.23 1.57 -0.58 -0.53 -0.98 120.64 115.55 3knk n GLU 111 Ca 0.09 0.43 0.20 0.00 -0.42 0.00 0.00 57.16 57.47 3knk n GLU 111 Cb 0.09 -1.22 0.38 0.00 -0.57 0.00 0.00 31.44 30.12 3knk n GLU 111 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3knk n ARG 112 N -1.46 -0.04 0.03 3.49 5.12 -1.11 0.41 116.66 123.09 3knk n ARG 112 Ca 0.00 0.99 -0.01 0.00 -1.93 0.00 0.00 57.85 56.89 3knk n ARG 112 Cb 0.00 -1.73 -0.01 0.00 -1.16 0.00 0.00 32.46 29.56 3knk n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knk h ALA 113 N 1.41 -0.88 0.00 7.54 0.00 -1.05 0.23 119.26 126.52 3knk h ALA 113 Ca 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3knk h ALA 113 Cb 1.45 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3knk h ALA 113 CO -0.56 -0.87 0.00 0.36 0.00 0.00 0.00 179.25 178.17 3knk n LYS 114 N -2.42 0.79 -0.09 0.00 2.85 0.13 -0.94 118.16 118.49 3knk n LYS 114 Ca -0.01 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.15 3knk n LYS 114 Cb 0.04 -1.39 -0.12 0.00 -0.65 0.00 0.00 35.03 32.91 3knk n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3knk n ALA 115 N 0.09 1.58 1.47 0.58 0.00 0.16 -4.13 120.51 120.27 3knk n ALA 115 Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 53.44 52.45 3knk n ALA 115 Cb 0.19 -0.07 0.16 0.00 0.00 0.00 0.00 19.45 19.74 3knk n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n ALA 116 N -2.76 2.49 -3.61 0.00 0.00 0.71 -4.34 120.51 113.01 3knk n ALA 116 Ca -0.30 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.55 3knk n ALA 116 Cb 0.99 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 3knk n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3knk s GLN 117 N -1.79 1.43 0.00 0.00 -1.52 -1.21 -4.97 119.66 111.60 3knk s GLN 117 Ca 0.16 -2.43 0.00 0.00 -1.95 0.00 0.00 55.36 51.14 3knk s GLN 117 Cb 0.08 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.68 3knk s GLN 117 CO 0.11 -1.31 0.00 0.41 -0.25 0.00 0.00 175.29 174.26