#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knt h MET 2 N 0.00 0.52 -0.24 0.03 0.00 -1.99 -1.80 114.93 111.46 3knt h MET 2 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 59.70 59.61 3knt h MET 2 Cb 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 31.60 31.46 3knt h MET 2 CO 0.00 0.62 -0.38 1.25 0.00 0.00 0.00 176.91 178.40 3knt h LEU 3 N 0.35 -1.23 -0.75 1.22 5.85 -1.98 0.80 115.31 119.57 3knt h LEU 3 Ca 0.10 0.18 0.12 0.00 0.84 0.00 0.00 57.88 59.12 3knt h LEU 3 Cb 0.35 0.53 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 3knt h LEU 3 CO 0.01 -0.38 0.34 0.40 -0.34 0.00 0.00 178.44 178.47 3knt h ILE 4 N -0.39 0.75 -0.88 4.05 1.08 -1.97 0.26 117.51 120.42 3knt h ILE 4 Ca 0.11 -0.18 0.08 0.00 -0.39 0.00 0.00 64.86 64.48 3knt h ILE 4 Cb 0.58 0.17 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 3knt h ILE 4 CO -0.45 0.10 0.57 0.50 -0.69 0.00 0.00 178.15 178.17 3knt h LYS 5 N 0.54 0.90 0.00 2.37 3.64 -0.20 -0.53 116.57 123.29 3knt h LYS 5 Ca 0.39 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3knt h LYS 5 Cb 0.51 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3knt h LYS 5 CO -0.34 0.60 -0.39 0.87 -2.27 0.00 0.00 179.45 177.92 3knt h LYS 6 N 0.93 0.00 0.49 1.90 1.57 0.15 -2.93 116.57 118.67 3knt h LYS 6 Ca 0.39 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 3knt h LYS 6 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3knt h LYS 6 CO -0.15 0.39 -0.23 0.82 -0.57 0.00 0.00 179.45 179.70 3knt h ILE 7 N 0.00 0.16 -0.19 1.86 2.04 0.98 -2.48 117.51 119.88 3knt h ILE 7 Ca -0.00 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3knt h ILE 7 Cb 1.22 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3knt h ILE 7 CO 0.05 0.03 0.17 -0.33 0.00 0.00 0.00 178.15 178.08 3knt h GLU 8 N -1.11 0.00 -0.90 2.37 4.39 -1.53 0.14 114.58 117.94 3knt h GLU 8 Ca -0.07 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.65 3knt h GLU 8 Cb 0.55 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 3knt h GLU 8 CO 0.11 0.00 0.59 1.49 -1.16 0.00 0.00 179.01 180.04 3knt h GLU 9 N 0.00 1.14 0.24 2.33 4.57 -1.31 -2.81 114.58 118.74 3knt h GLU 9 Ca 0.09 -0.07 -0.31 0.00 -1.18 0.00 0.00 59.36 57.89 3knt h GLU 9 Cb 0.44 -0.26 0.04 0.00 -0.16 0.00 0.00 28.75 28.81 3knt h GLU 9 CO -0.00 0.76 -1.37 -0.07 -1.18 0.00 0.00 179.01 177.14 3knt h LEU 10 N 1.18 0.80 -1.97 1.64 3.38 -0.32 -3.30 115.31 116.72 3knt h LEU 10 Ca 0.34 -0.92 0.20 0.00 0.09 0.00 0.00 57.88 57.58 3knt h LEU 10 Cb -0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3knt h LEU 10 CO -0.09 1.66 0.55 0.11 0.09 0.00 0.00 178.44 180.77 3knt h LYS 11 N 0.07 0.00 -1.12 1.13 1.57 -0.98 0.88 116.57 118.12 3knt h LYS 11 Ca -0.24 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.86 3knt h LYS 11 Cb 2.09 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 34.10 3knt h LYS 11 CO 0.26 0.00 0.83 0.09 -0.57 0.00 0.00 179.45 180.05 3knt n ASN 12 N -4.06 7.57 -4.24 0.86 3.02 -1.09 -4.74 115.26 112.57 3knt n ASN 12 Ca 0.13 -3.79 -0.13 0.00 -0.03 0.00 0.00 54.58 50.76 3knt n ASN 12 Cb 0.80 -0.96 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 3knt n ASN 12 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3knt s SER 13 N -1.82 0.48 0.00 6.41 1.04 0.30 -5.02 113.70 115.10 3knt s SER 13 Ca 0.63 -1.38 0.13 0.00 0.48 0.00 0.00 55.95 55.81 3knt s SER 13 Cb 0.50 0.31 0.66 0.00 0.10 0.00 0.00 66.02 67.58 3knt s SER 13 CO -0.06 -0.80 1.36 -1.84 0.98 0.00 0.00 173.24 172.88 3knt n GLU 14 N -0.33 0.16 -0.02 4.02 -0.00 -1.26 -1.89 120.64 121.32 3knt n GLU 14 Ca 0.01 0.18 -0.10 0.00 -0.00 0.00 0.00 57.16 57.25 3knt n GLU 14 Cb 0.66 -1.50 0.04 0.00 -0.00 0.00 0.00 31.44 30.64 3knt n GLU 14 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3knt h ILE 15 N 0.00 1.31 -0.75 3.84 1.08 -1.96 -3.12 117.51 117.91 3knt h ILE 15 Ca 0.00 -1.74 0.18 0.00 -0.39 0.00 0.00 64.86 62.90 3knt h ILE 15 Cb 0.14 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.54 3knt h ILE 15 CO 0.00 0.55 0.51 0.50 -0.69 0.00 0.00 178.15 179.02 3knt h LYS 16 N 0.49 0.25 -0.07 2.37 3.64 -1.54 -0.70 116.57 121.02 3knt h LYS 16 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3knt h LYS 16 Cb 1.07 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3knt h LYS 16 CO 0.10 0.17 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.00 3knt h ASP 17 N 0.26 0.13 0.03 4.20 5.19 -1.72 0.15 116.42 124.66 3knt h ASP 17 Ca 0.37 -0.33 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3knt h ASP 17 Cb 1.07 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.50 3knt h ASP 17 CO -0.09 0.43 -0.24 0.40 -3.12 0.00 0.00 179.24 176.62 3knt h ILE 18 N -0.17 0.45 -0.80 0.35 2.04 -1.24 0.20 117.51 118.33 3knt h ILE 18 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3knt h ILE 18 Cb 0.37 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3knt h ILE 18 CO 0.01 0.00 0.47 0.40 0.00 0.00 0.00 178.15 179.02 3knt h ILE 19 N -0.40 1.23 0.00 -0.67 2.04 -1.32 0.20 117.51 118.59 3knt h ILE 19 Ca 0.05 -0.52 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 3knt h ILE 19 Cb 0.46 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3knt h ILE 19 CO -0.20 0.24 -0.41 0.44 0.00 0.00 0.00 178.15 178.23 3knt h ASP 20 N 1.11 0.00 1.16 1.72 3.32 0.02 0.14 116.42 123.90 3knt h ASP 20 Ca 0.29 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 3knt h ASP 20 Cb -0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3knt h ASP 20 CO -0.05 0.41 -0.86 0.07 -1.72 0.00 0.00 179.24 177.08 3knt h LYS 21 N 0.00 0.00 -0.11 3.56 2.10 -0.10 -2.98 116.57 119.04 3knt h LYS 21 Ca -0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 3knt h LYS 21 Cb 0.80 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.14 3knt h LYS 21 CO 0.05 0.14 -0.45 -0.09 -2.00 0.00 0.00 179.45 177.10 3knt h ARG 22 N 0.00 0.50 -0.50 0.07 9.65 -0.05 -1.90 114.38 122.14 3knt h ARG 22 Ca -0.04 -0.39 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 3knt h ARG 22 Cb 1.20 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 3knt h ARG 22 CO 0.02 1.02 0.32 0.82 2.80 0.00 0.00 179.97 184.95 3knt h ILE 23 N 0.10 1.14 -0.09 1.20 1.08 -0.84 -1.87 117.51 118.22 3knt h ILE 23 Ca -0.02 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 3knt h ILE 23 Cb 1.08 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 3knt h ILE 23 CO 0.09 0.14 0.02 1.56 -0.69 0.00 0.00 178.15 179.27 3knt h GLN 24 N 0.68 0.12 -0.41 2.37 1.08 -1.52 -1.64 115.11 115.79 3knt h GLN 24 Ca 0.18 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.39 3knt h GLN 24 Cb -0.06 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 3knt h GLN 24 CO -0.04 0.12 0.24 0.93 -0.95 0.00 0.00 178.83 179.14 3knt h GLU 25 N 0.12 0.48 -0.40 1.46 5.08 -0.50 -2.62 114.58 118.20 3knt h GLU 25 Ca 0.03 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3knt h GLU 25 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3knt h GLU 25 CO -0.00 0.32 -0.05 0.74 -1.00 0.00 0.00 179.01 179.01 3knt h PHE 26 N 0.50 0.83 0.00 4.33 0.04 -1.10 -2.89 116.94 118.64 3knt h PHE 26 Ca 0.16 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3knt h PHE 26 Cb 0.01 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.95 3knt h PHE 26 CO -0.07 0.85 0.00 1.63 -0.60 0.00 0.00 178.31 180.12 3knt n LYS 27 N -4.38 0.09 0.00 1.51 4.76 -0.70 -0.83 118.16 118.61 3knt n LYS 27 Ca -0.01 0.52 0.13 0.00 -2.87 0.00 0.00 58.31 56.08 3knt n LYS 27 Cb 0.33 -1.75 0.51 0.00 -1.84 0.00 0.00 35.03 32.28 3knt n LYS 27 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3knt n SER 28 N -1.92 0.16 0.00 4.39 3.41 -1.01 -3.43 113.62 115.22 3knt n SER 28 Ca 0.00 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 3knt n SER 28 Cb 0.07 -0.29 0.29 0.00 -0.26 0.00 0.00 64.21 64.02 3knt n SER 28 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3knt n PHE 29 N -1.52 0.00 0.30 7.33 3.72 -0.01 -2.43 117.46 124.86 3knt n PHE 29 Ca 0.07 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.63 3knt n PHE 29 Cb 0.34 -0.50 0.93 0.00 -0.94 0.00 0.00 39.48 39.31 3knt n PHE 29 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3knt h LYS 30 N 0.00 0.00 0.00 -1.08 1.79 -1.76 -2.69 116.57 112.83 3knt h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3knt h LYS 30 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3knt h LYS 30 CO 0.00 0.03 -1.36 0.09 -1.08 0.00 0.00 179.45 177.13 3knt n ASN 31 N -3.57 1.03 -4.77 0.86 3.02 -1.02 -5.02 115.26 105.79 3knt n ASN 31 Ca -0.02 -0.35 -0.31 0.00 -0.03 0.00 0.00 54.58 53.87 3knt n ASN 31 Cb 0.13 1.46 0.09 0.00 -0.61 0.00 0.00 39.78 40.85 3knt n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3knt s LYS 32 N -2.90 2.27 0.77 3.52 1.02 -1.02 -5.03 119.74 118.37 3knt s LYS 32 Ca -0.01 1.15 -0.11 0.00 0.02 0.00 0.00 55.97 57.02 3knt s LYS 32 Cb 0.11 -1.90 0.06 0.00 -0.52 0.00 0.00 37.83 35.59 3knt s LYS 32 CO 0.68 -1.63 1.13 -1.54 -0.92 0.00 0.00 175.35 173.07 3knt s SER 33 N -3.41 4.76 0.33 2.83 1.04 -1.26 -4.91 113.70 113.08 3knt s SER 33 Ca 0.61 0.81 0.10 0.00 0.48 0.00 0.00 55.95 57.95 3knt s SER 33 Cb -0.17 -1.39 0.88 0.00 0.10 0.00 0.00 66.02 65.43 3knt s SER 33 CO 0.56 -1.73 1.77 0.78 0.98 0.00 0.00 173.24 175.60 3knt h ASN 34 N -0.90 0.66 0.52 7.02 2.35 -1.96 -2.02 115.58 121.26 3knt h ASN 34 Ca -0.46 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.37 3knt h ASN 34 Cb 1.31 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 3knt h ASN 34 CO 0.65 0.18 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.98 3knt h GLU 35 N 0.62 -0.75 0.00 0.81 3.07 -1.92 0.44 114.58 116.85 3knt h GLU 35 Ca 0.59 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 3knt h GLU 35 Cb 1.13 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 3knt h GLU 35 CO -0.38 -0.50 0.00 0.39 -1.40 0.00 0.00 179.01 177.13 3knt n GLU 36 N -5.44 0.12 -0.08 2.33 -0.58 -0.79 -0.88 120.64 115.31 3knt n GLU 36 Ca -0.12 0.62 -0.23 0.00 -0.42 0.00 0.00 57.16 57.02 3knt n GLU 36 Cb 0.34 -1.91 -0.12 0.00 -0.57 0.00 0.00 31.44 29.17 3knt n GLU 36 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 3knt n TRP 37 N -2.18 0.91 -0.24 -0.32 7.02 -0.79 -3.58 117.44 118.26 3knt n TRP 37 Ca -0.01 0.32 -0.06 0.00 -1.02 0.00 0.00 57.50 56.73 3knt n TRP 37 Cb 0.03 -1.10 0.05 0.00 -2.42 0.00 0.00 31.31 27.87 3knt n TRP 37 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 3knt h PHE 38 N -0.67 0.91 -0.00 -5.99 3.57 -0.25 -1.00 116.94 113.50 3knt h PHE 38 Ca -0.43 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3knt h PHE 38 Cb 1.56 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 3knt h PHE 38 CO 0.07 0.62 0.00 0.87 -2.23 0.00 0.00 178.31 177.64 3knt h LYS 39 N 0.92 0.00 0.11 1.11 1.57 -1.19 -0.84 116.57 118.25 3knt h LYS 39 Ca 0.24 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.74 3knt h LYS 39 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3knt h LYS 39 CO -0.04 0.00 -1.35 0.93 -0.57 0.00 0.00 179.45 178.42 3knt h GLU 40 N 0.00 0.24 -0.70 3.15 4.39 -1.35 -2.89 114.58 117.42 3knt h GLU 40 Ca 0.00 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 3knt h GLU 40 Cb 0.00 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3knt h GLU 40 CO -0.00 1.14 0.41 1.25 -1.16 0.00 0.00 179.01 180.66 3knt h LEU 41 N 0.06 0.84 -0.29 1.33 5.85 0.04 -2.78 115.31 120.37 3knt h LEU 41 Ca -0.17 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3knt h LEU 41 Cb 1.98 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 3knt h LEU 41 CO 0.18 0.66 0.14 0.00 -0.34 0.00 0.00 178.44 179.08 3knt h PHE 43 N 0.34 0.77 0.42 0.00 3.57 -1.32 0.73 116.94 121.44 3knt h PHE 43 Ca 0.10 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3knt h PHE 43 Cb 0.13 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3knt h PHE 43 CO -0.02 0.03 -0.20 0.00 -2.23 0.00 0.00 178.31 175.90 3knt h ILE 45 N -0.67 0.57 -0.44 0.00 2.04 -0.85 0.14 117.51 118.30 3knt h ILE 45 Ca -0.06 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3knt h ILE 45 Cb 0.49 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3knt h ILE 45 CO 0.09 0.11 -0.04 -0.07 0.00 0.00 0.00 178.15 178.24 3knt h LEU 46 N 0.59 0.72 0.00 1.44 3.38 -0.38 -3.00 115.31 118.07 3knt h LEU 46 Ca 0.63 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3knt h LEU 46 Cb 1.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3knt h LEU 46 CO -0.43 0.82 0.00 0.41 0.09 0.00 0.00 178.44 179.32 3knt n THR 47 N -4.20 0.06 -1.65 0.22 -1.04 0.47 -4.55 114.28 103.59 3knt n THR 47 Ca 0.02 0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 3knt n THR 47 Cb 0.32 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.27 3knt n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knt s ALA 48 N -2.83 3.28 -1.51 2.41 0.00 -0.98 -1.79 121.76 120.34 3knt s ALA 48 Ca 0.19 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 3knt s ALA 48 Cb 0.19 -3.93 0.10 0.00 0.00 0.00 0.00 23.12 19.48 3knt s ALA 48 CO 0.48 -2.01 0.81 -1.71 0.00 0.00 0.00 175.76 173.33 3knt n ASN 49 N 9.01 -4.33 -1.31 0.00 5.15 -1.26 -4.94 115.26 117.57 3knt n ASN 49 Ca 0.23 -0.71 -0.02 0.00 -0.60 0.00 0.00 54.58 53.49 3knt n ASN 49 Cb 0.42 -3.50 -0.01 0.00 -0.53 0.00 0.00 39.78 36.17 3knt n ASN 49 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 3knt n PHE 50 N -4.43 -0.04 -3.21 1.20 7.35 -0.74 -5.01 117.46 112.57 3knt n PHE 50 Ca 0.03 -0.22 -0.39 0.00 -0.76 0.00 0.00 57.45 56.12 3knt n PHE 50 Cb 0.52 0.02 -0.06 0.00 0.35 0.00 0.00 39.48 40.31 3knt n PHE 50 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3knt s THR 51 N -1.98 4.89 0.11 -2.13 2.01 -1.26 -4.95 115.64 112.32 3knt s THR 51 Ca 0.03 1.24 -0.25 0.00 0.31 0.00 0.00 61.69 63.02 3knt s THR 51 Cb 0.00 -3.93 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 3knt s THR 51 CO 0.02 0.43 1.68 0.00 -0.69 0.00 0.00 174.62 176.06 3knt h ALA 52 N 5.52 -0.24 0.00 7.40 0.00 -1.92 0.43 119.26 130.46 3knt h ALA 52 Ca -0.46 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3knt h ALA 52 Cb 1.20 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3knt h ALA 52 CO 0.69 -0.67 -0.42 1.05 0.00 0.00 0.00 179.25 179.91 3knt h GLU 53 N -0.29 0.00 -0.04 0.00 4.11 -1.94 -1.67 114.58 114.76 3knt h GLU 53 Ca 0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.41 3knt h GLU 53 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3knt h GLU 53 CO -0.10 0.42 -0.21 0.78 0.07 0.00 0.00 179.01 179.96 3knt h GLY 54 N 1.79 0.07 1.43 1.06 0.00 -1.79 -1.29 103.07 104.34 3knt h GLY 54 Ca -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 3knt h GLY 54 CO 0.05 0.04 -0.94 -1.33 0.00 0.00 0.00 176.54 174.36 3knt h GLY 55 N 0.72 0.00 1.45 4.60 0.00 -0.41 -3.13 103.07 106.30 3knt h GLY 55 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 3knt h GLY 55 CO 0.03 0.00 -0.55 -2.22 0.00 0.00 0.00 176.54 173.80 3knt h ILE 56 N 0.00 1.32 0.27 2.60 2.04 -0.75 -2.51 117.51 120.48 3knt h ILE 56 Ca -0.07 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 3knt h ILE 56 Cb 1.41 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3knt h ILE 56 CO 0.05 0.56 -0.13 -0.09 0.00 0.00 0.00 178.15 178.53 3knt h ARG 57 N 0.44 -0.35 -1.00 2.37 2.43 -1.34 -2.84 114.38 114.09 3knt h ARG 57 Ca 0.01 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.36 3knt h ARG 57 Cb 1.09 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 3knt h ARG 57 CO 0.10 -0.01 0.62 0.82 -1.51 0.00 0.00 179.97 180.00 3knt h ILE 58 N -0.88 0.80 -0.89 1.20 2.04 -1.62 0.15 117.51 118.30 3knt h ILE 58 Ca -0.04 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3knt h ILE 58 Cb 0.51 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 3knt h ILE 58 CO 0.06 0.15 0.52 -0.61 0.00 0.00 0.00 178.15 178.28 3knt h GLN 59 N 0.85 1.22 0.43 2.37 4.15 -1.48 -0.69 115.11 121.97 3knt h GLN 59 Ca 0.54 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.82 3knt h GLN 59 Cb 0.73 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3knt h GLN 59 CO -0.32 0.87 -0.21 0.87 -1.93 0.00 0.00 178.83 178.11 3knt h LYS 60 N 1.24 -0.56 -0.58 1.69 1.57 -0.51 0.29 116.57 119.70 3knt h LYS 60 Ca 0.32 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.17 3knt h LYS 60 Cb -0.02 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3knt h LYS 60 CO -0.06 -0.29 0.34 0.93 -0.57 0.00 0.00 179.45 179.80 3knt h GLU 61 N -0.75 0.63 0.16 3.15 4.39 -1.01 -3.11 114.58 118.05 3knt h GLU 61 Ca -0.06 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.30 3knt h GLU 61 Cb 0.53 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3knt h GLU 61 CO 0.10 0.42 -1.43 0.82 -1.16 0.00 0.00 179.01 177.76 3knt h ILE 62 N 0.65 1.30 0.00 3.13 2.04 -1.19 -3.48 117.51 119.97 3knt h ILE 62 Ca 0.24 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.25 3knt h ILE 62 Cb 0.08 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 3knt h ILE 62 CO -0.13 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.48 3knt n GLY 63 N 1.64 3.11 0.00 5.37 0.00 0.09 -0.29 105.19 115.10 3knt n GLY 63 Ca -0.14 0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.94 3knt n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knt n ASP 64 N 3.56 0.00 0.17 1.61 9.92 -1.26 -2.95 116.55 127.61 3knt n ASP 64 Ca 0.00 -0.44 0.03 0.00 -0.53 0.00 0.00 54.79 53.86 3knt n ASP 64 Cb 0.00 0.00 0.29 0.00 -0.64 0.00 0.00 41.12 40.77 3knt n ASP 64 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3knt h GLY 65 N 1.58 0.00 1.62 0.44 0.00 -1.04 -2.99 103.07 102.69 3knt h GLY 65 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3knt h GLY 65 CO 0.00 0.00 0.17 0.74 0.00 0.00 0.00 176.54 177.45 3knt h PHE 66 N 0.00 0.00 0.08 5.60 -1.00 -1.73 -0.69 116.94 119.20 3knt h PHE 66 Ca -0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.42 3knt h PHE 66 Cb 0.93 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.46 3knt h PHE 66 CO 0.00 0.00 -2.01 1.28 -1.61 0.00 0.00 178.31 175.97 3knt n LEU 67 N -3.24 2.24 -0.12 1.54 4.77 -1.13 -4.74 117.00 116.31 3knt n LEU 67 Ca -0.01 0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 3knt n LEU 67 Cb 0.25 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 3knt n LEU 67 CO 0.20 0.76 -1.19 0.35 -1.33 0.00 0.00 177.39 176.18 3knt n THR 68 N -3.35 1.52 -1.22 -5.08 -2.24 -0.89 -5.00 114.28 98.03 3knt n THR 68 Ca -0.31 -0.21 -0.47 0.00 -2.27 0.00 0.00 64.05 60.79 3knt n THR 68 Cb 1.05 -2.04 -0.07 0.00 -2.10 0.00 0.00 70.33 67.17 3knt n THR 68 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3knt n LEU 69 N -4.32 0.54 -4.50 3.22 4.77 -0.32 -4.93 117.00 111.47 3knt n LEU 69 Ca -0.41 0.87 -0.29 0.00 -0.03 0.00 0.00 56.01 56.15 3knt n LEU 69 Cb 0.76 -0.66 0.25 0.00 -2.33 0.00 0.00 43.42 41.44 3knt n LEU 69 CO 0.09 -0.92 0.53 -2.84 -1.33 0.00 0.00 177.39 172.92 3knt s PRO 70 N 1.36 -1.21 0.04 3.23 0.02 -1.26 -4.68 135.00 132.49 3knt s PRO 70 Ca 0.73 0.47 -0.28 0.00 0.02 0.00 0.00 61.00 61.94 3knt s PRO 70 Cb -1.04 -1.55 -0.16 0.00 0.02 0.00 0.00 34.50 31.77 3knt s PRO 70 CO 0.53 -3.82 1.35 -0.09 -0.33 0.00 0.00 177.00 174.64 3knt h ARG 71 N -2.68 -0.99 0.00 5.54 2.43 -1.93 -0.84 114.38 115.91 3knt h ARG 71 Ca -0.55 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3knt h ARG 71 Cb 1.33 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 31.11 3knt h ARG 71 CO 0.45 -0.66 -0.05 1.05 -1.51 0.00 0.00 179.97 179.26 3knt h GLU 72 N -1.09 0.00 0.01 0.20 9.09 -1.98 -0.77 114.58 120.04 3knt h GLU 72 Ca -0.10 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.31 3knt h GLU 72 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 3knt h GLU 72 CO 0.17 0.05 -0.00 0.93 0.05 0.00 0.00 179.01 180.21 3knt h GLU 73 N 0.00 -0.01 -0.83 1.06 5.08 -1.92 -2.71 114.58 115.25 3knt h GLU 73 Ca -0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 3knt h GLU 73 Cb 0.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 3knt h GLU 73 CO 0.01 0.74 0.54 1.25 -1.00 0.00 0.00 179.01 180.55 3knt h LEU 74 N -0.98 0.60 -0.49 1.33 5.85 -1.01 0.07 115.31 120.68 3knt h LEU 74 Ca -0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3knt h LEU 74 Cb 0.75 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3knt h LEU 74 CO 0.00 0.32 0.28 -0.08 -0.34 0.00 0.00 178.44 178.62 3knt h GLU 75 N 0.65 0.68 0.13 1.25 4.81 -1.20 -0.42 114.58 120.48 3knt h GLU 75 Ca 0.41 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3knt h GLU 75 Cb 0.66 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3knt h GLU 75 CO -0.17 0.53 -0.12 1.49 -0.73 0.00 0.00 179.01 180.01 3knt h GLU 76 N 0.66 -0.26 -0.36 1.92 4.81 -0.72 0.29 114.58 120.92 3knt h GLU 76 Ca 0.17 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 3knt h GLU 76 Cb 0.04 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.39 3knt h GLU 76 CO -0.03 -0.18 -0.34 0.87 -0.73 0.00 0.00 179.01 178.60 3knt h LYS 77 N -0.27 -0.28 0.10 1.92 1.79 -0.81 0.17 116.57 119.19 3knt h LYS 77 Ca 0.00 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3knt h LYS 77 Cb 0.26 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3knt h LYS 77 CO -0.03 -0.19 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.04 3knt h LEU 78 N -0.29 -0.11 -1.01 2.94 3.38 -0.90 0.12 115.31 119.44 3knt h LEU 78 Ca 0.15 -0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.22 3knt h LEU 78 Cb 0.55 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 3knt h LEU 78 CO -0.52 0.04 0.61 0.50 0.09 0.00 0.00 178.44 179.16 3knt h LYS 79 N -0.25 0.71 -0.01 1.13 3.64 -0.03 0.12 116.57 121.86 3knt h LYS 79 Ca -0.01 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 3knt h LYS 79 Cb 0.21 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3knt h LYS 79 CO 0.02 0.47 -0.82 -0.91 -2.27 0.00 0.00 179.45 175.94 3knt h ASN 80 N 0.73 0.28 0.19 4.20 2.35 -0.33 -3.22 115.58 119.78 3knt h ASN 80 Ca 0.59 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3knt h ASN 80 Cb 0.97 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3knt h ASN 80 CO -0.40 0.98 0.00 0.18 -1.65 0.00 0.00 177.43 176.54 3knt n LEU 81 N -3.71 0.00 0.00 1.61 4.77 0.40 -4.89 117.00 115.18 3knt n LEU 81 Ca -0.03 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3knt n LEU 81 Cb 0.76 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3knt n LEU 81 CO 0.47 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3knt n GLY 82 N 0.79 0.66 3.77 -0.72 0.00 -0.75 -4.95 105.19 103.99 3knt n GLY 82 Ca 0.17 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3knt n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3knt s HIS 83 N -2.00 2.87 0.05 1.61 5.04 -1.17 -4.97 115.29 116.72 3knt s HIS 83 Ca 0.00 1.51 -0.31 0.00 -1.54 0.00 0.00 55.06 54.73 3knt s HIS 83 Cb 0.00 -3.45 -0.18 0.00 0.04 0.00 0.00 32.58 28.99 3knt s HIS 83 CO 0.00 -1.63 1.45 0.00 -2.34 0.00 0.00 174.74 172.22 3knt h ARG 84 N 2.23 -0.84 -2.95 2.88 3.08 -1.95 -3.36 114.38 113.48 3knt h ARG 84 Ca -0.49 0.06 -0.74 0.00 0.07 0.00 0.00 59.98 58.88 3knt h ARG 84 Cb 1.25 0.19 -0.33 0.00 0.08 0.00 0.00 29.97 31.16 3knt h ARG 84 CO 0.61 -0.52 0.21 1.19 -1.07 0.00 0.00 179.97 180.39 3knt n PHE 85 N -5.42 3.47 -0.03 3.04 3.01 -1.26 -4.87 117.46 115.40 3knt n PHE 85 Ca -0.13 -3.50 -0.12 0.00 1.01 0.00 0.00 57.45 54.71 3knt n PHE 85 Cb 0.37 -1.13 -0.07 0.00 -0.01 0.00 0.00 39.48 38.63 3knt n PHE 85 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 3knt h TYR 86 N 5.46 0.19 0.27 1.38 -0.00 -1.93 -2.38 116.97 119.96 3knt h TYR 86 Ca 0.19 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.73 58.87 3knt h TYR 86 Cb 0.71 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 37.38 3knt h TYR 86 CO 0.84 0.45 -0.18 0.00 -0.00 0.00 0.00 178.16 179.27 3knt h ARG 87 N -0.12 -0.42 -0.08 0.10 3.08 -1.89 -1.04 114.38 114.00 3knt h ARG 87 Ca 0.03 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3knt h ARG 87 Cb 0.38 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3knt h ARG 87 CO 0.01 -0.28 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.34 3knt h LYS 88 N -0.44 0.19 -0.34 0.04 1.63 -1.98 -1.32 116.57 114.35 3knt h LYS 88 Ca -0.02 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 3knt h LYS 88 Cb 0.37 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3knt h LYS 88 CO 0.02 0.59 0.00 0.00 -3.45 0.00 0.00 179.45 176.62 3knt h ARG 89 N -0.21 0.53 -0.56 1.90 2.47 -1.49 -0.89 114.38 116.14 3knt h ARG 89 Ca 0.02 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 3knt h ARG 89 Cb 0.55 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 3knt h ARG 89 CO 0.02 0.55 0.24 0.00 0.56 0.00 0.00 179.97 181.34 3knt h ALA 90 N 1.50 0.72 0.62 0.04 0.00 -1.05 -1.69 119.26 119.40 3knt h ALA 90 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3knt h ALA 90 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3knt h ALA 90 CO 0.01 0.32 -0.48 1.49 0.00 0.00 0.00 179.25 180.59 3knt h GLU 91 N 0.76 -1.03 -0.14 0.00 4.81 -0.32 -2.76 114.58 115.90 3knt h GLU 91 Ca 0.19 0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 3knt h GLU 91 Cb 0.18 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 3knt h GLU 91 CO -0.02 -0.69 -0.29 1.88 -0.73 0.00 0.00 179.01 179.17 3knt h TYR 92 N -1.07 -0.79 -0.72 0.92 0.05 -1.15 -2.52 116.97 111.70 3knt h TYR 92 Ca -0.08 0.04 0.14 0.00 0.05 0.00 0.00 58.73 58.88 3knt h TYR 92 Cb 0.89 0.37 -0.14 0.00 1.01 0.00 0.00 36.73 38.87 3knt h TYR 92 CO -0.18 -0.37 -0.20 0.82 -1.05 0.00 0.00 178.16 177.18 3knt h ILE 93 N -0.35 0.26 -0.48 -2.88 2.04 -1.27 -0.42 117.51 114.40 3knt h ILE 93 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3knt h ILE 93 Cb 0.51 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3knt h ILE 93 CO -0.34 0.00 0.30 0.58 0.00 0.00 0.00 178.15 178.69 3knt h VAL 94 N -0.01 1.14 -0.83 1.67 2.07 -1.15 -2.52 116.25 116.61 3knt h VAL 94 Ca 0.34 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3knt h VAL 94 Cb 0.53 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3knt h VAL 94 CO -0.74 0.14 0.54 -0.07 0.02 0.00 0.00 177.57 177.46 3knt h LEU 95 N 0.65 0.97 -2.37 2.57 3.38 -0.82 -1.79 115.31 117.89 3knt h LEU 95 Ca 0.17 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3knt h LEU 95 Cb -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3knt h LEU 95 CO -0.03 0.71 0.18 0.00 0.09 0.00 0.00 178.44 179.39 3knt h ALA 96 N 1.30 1.49 0.00 1.53 0.00 -0.69 -2.06 119.26 120.82 3knt h ALA 96 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3knt h ALA 96 Cb -0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3knt h ALA 96 CO -0.06 -0.22 0.03 0.00 0.00 0.00 0.00 179.25 178.99 3knt h ARG 97 N 0.00 0.00 0.00 0.00 3.08 -1.22 0.31 114.38 116.54 3knt h ARG 97 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3knt h ARG 97 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3knt h ARG 97 CO -0.00 0.00 0.00 0.07 -1.07 0.00 0.00 179.97 178.97 3knt h ARG 98 N 0.00 0.00 -0.92 0.04 0.11 -1.56 0.11 114.38 112.16 3knt h ARG 98 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 3knt h ARG 98 Cb 0.06 0.00 -0.41 0.00 1.11 0.00 0.00 29.97 30.73 3knt h ARG 98 CO 0.00 0.00 -0.56 1.19 0.10 0.00 0.00 179.97 180.70 3knt n PHE 99 N -2.43 2.91 0.32 4.08 3.72 0.11 -4.84 117.46 121.32 3knt n PHE 99 Ca -0.01 -2.45 0.19 0.00 -0.05 0.00 0.00 57.45 55.13 3knt n PHE 99 Cb 0.08 -0.46 1.01 0.00 -0.94 0.00 0.00 39.48 39.17 3knt n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3knt h LYS 100 N 2.24 0.00 -2.66 -1.08 2.10 -0.86 -2.12 116.57 114.18 3knt h LYS 100 Ca 0.39 0.00 -0.77 0.00 -2.00 0.00 0.00 60.65 58.27 3knt h LYS 100 Cb 1.33 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.35 3knt h LYS 100 CO 0.89 0.00 0.60 0.27 -2.00 0.00 0.00 179.45 179.21 3knt n ASN 101 N -3.14 6.20 0.00 7.07 6.94 -1.26 -4.60 115.26 126.47 3knt n ASN 101 Ca -0.02 -3.49 0.08 0.00 -0.02 0.00 0.00 54.58 51.13 3knt n ASN 101 Cb 0.23 -1.14 0.37 0.00 -2.36 0.00 0.00 39.78 36.87 3knt n ASN 101 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3knt n ILE 102 N 0.90 0.78 -0.04 1.53 0.13 -0.80 -3.08 119.36 118.79 3knt n ILE 102 Ca 0.31 0.20 -0.17 0.00 -1.10 0.00 0.00 62.75 61.99 3knt n ILE 102 Cb 0.33 -0.92 -0.13 0.00 -0.84 0.00 0.00 39.64 38.08 3knt n ILE 102 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 3knt h LYS 103 N 0.00 0.10 -0.95 9.51 3.64 -1.88 -2.59 116.57 124.39 3knt h LYS 103 Ca 0.00 -0.17 0.15 0.00 -1.27 0.00 0.00 60.65 59.37 3knt h LYS 103 Cb 0.25 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.05 3knt h LYS 103 CO 0.00 1.08 0.60 -0.44 -2.27 0.00 0.00 179.45 178.42 3knt h ASP 104 N -0.79 0.74 -0.06 4.20 3.32 -1.97 -1.21 116.42 120.67 3knt h ASP 104 Ca -0.09 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.78 3knt h ASP 104 Cb 1.25 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.73 3knt h ASP 104 CO 0.03 0.35 -0.87 0.40 -1.72 0.00 0.00 179.24 177.43 3knt h ILE 105 N 0.77 1.29 0.06 0.35 2.04 -1.63 -3.11 117.51 117.27 3knt h ILE 105 Ca 0.50 -2.09 -0.16 0.00 1.00 0.00 0.00 64.86 64.11 3knt h ILE 105 Cb 0.74 2.13 0.02 0.00 -0.74 0.00 0.00 36.82 38.97 3knt h ILE 105 CO -0.26 0.65 -0.65 0.58 0.00 0.00 0.00 178.15 178.48 3knt h VAL 106 N 0.47 1.49 0.00 1.67 2.07 -1.02 -3.29 116.25 117.63 3knt h VAL 106 Ca -0.08 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.16 3knt h VAL 106 Cb 1.50 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 3knt h VAL 106 CO 0.17 0.65 0.00 -0.62 0.02 0.00 0.00 177.57 177.79 3knt n GLU 107 N -4.21 0.21 0.15 1.57 1.02 -0.50 -2.60 120.64 116.28 3knt n GLU 107 Ca -0.12 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3knt n GLU 107 Cb 0.72 -1.85 0.22 0.00 -0.02 0.00 0.00 31.44 30.52 3knt n GLU 107 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3knt h SER 108 N 0.00 0.00 -4.20 1.62 4.64 -1.61 -3.45 113.55 110.56 3knt h SER 108 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3knt h SER 108 Cb 0.46 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.68 3knt h SER 108 CO 0.00 0.54 0.37 -0.36 -0.87 0.00 0.00 176.83 176.52 3knt s PHE 109 N -3.68 2.35 0.08 4.77 0.08 -1.07 -4.97 117.98 115.54 3knt s PHE 109 Ca -0.01 1.58 -0.15 0.00 0.12 0.00 0.00 56.93 58.47 3knt s PHE 109 Cb 0.13 -3.29 -0.15 0.00 -0.57 0.00 0.00 43.02 39.14 3knt s PHE 109 CO 0.74 -2.10 1.31 1.05 -0.10 0.00 0.00 175.22 176.12 3knt h GLU 110 N -0.20 0.66 -3.94 0.44 9.09 -1.88 -3.46 114.58 115.29 3knt h GLU 110 Ca -0.47 -0.48 -0.16 0.00 0.05 0.00 0.00 59.36 58.30 3knt h GLU 110 Cb 1.27 0.08 -0.20 0.00 -1.65 0.00 0.00 28.75 28.25 3knt h GLU 110 CO 0.52 1.10 -0.65 0.54 0.05 0.00 0.00 179.01 180.57 3knt s ASN 111 N -6.78 0.24 0.33 3.06 2.20 -1.26 -5.04 114.94 107.68 3knt s ASN 111 Ca -0.12 -0.53 0.09 0.00 -0.94 0.00 0.00 52.86 51.36 3knt s ASN 111 Cb 0.07 0.14 0.81 0.00 -2.00 0.00 0.00 41.25 40.27 3knt s ASN 111 CO 0.85 -0.36 1.80 1.05 -2.94 0.00 0.00 177.10 177.49 3knt h GLU 112 N 4.33 0.67 -0.91 3.55 4.11 -1.93 -0.34 114.58 124.06 3knt h GLU 112 Ca -0.32 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.10 3knt h GLU 112 Cb 1.20 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 3knt h GLU 112 CO 0.45 0.44 0.60 0.87 0.07 0.00 0.00 179.01 181.44 3knt h LYS 113 N 0.69 1.13 0.13 1.06 6.56 -1.96 -0.90 116.57 123.28 3knt h LYS 113 Ca 0.55 -0.07 -0.29 0.00 -1.06 0.00 0.00 60.65 59.78 3knt h LYS 113 Cb 0.96 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 3knt h LYS 113 CO -0.33 0.74 -1.39 0.28 -2.06 0.00 0.00 179.45 176.70 3knt h VAL 114 N 1.16 1.33 -0.80 0.50 2.07 -1.64 -3.12 116.25 115.75 3knt h VAL 114 Ca 0.36 -2.92 0.08 0.00 0.82 0.00 0.00 66.70 65.03 3knt h VAL 114 Cb -0.02 2.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.57 3knt h VAL 114 CO -0.10 0.85 0.52 0.00 0.02 0.00 0.00 177.57 178.86 3knt h ALA 115 N 0.51 1.68 -0.46 1.67 0.00 -0.67 -0.74 119.26 121.25 3knt h ALA 115 Ca -0.19 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3knt h ALA 115 Cb 2.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 3knt h ALA 115 CO 0.19 0.17 -0.17 -0.09 0.00 0.00 0.00 179.25 179.35 3knt h ARG 116 N 0.81 0.89 -0.93 0.00 2.43 -1.21 -2.62 114.38 113.75 3knt h ARG 116 Ca 0.35 -0.35 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 3knt h ARG 116 Cb 0.33 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.75 3knt h ARG 116 CO -0.13 0.99 0.59 1.49 -1.51 0.00 0.00 179.97 181.40 3knt h GLU 117 N 0.78 0.78 0.32 0.20 4.57 -1.08 -1.38 114.58 118.78 3knt h GLU 117 Ca 0.11 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 3knt h GLU 117 Cb 0.71 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3knt h GLU 117 CO 0.05 0.52 -0.16 0.35 -1.18 0.00 0.00 179.01 178.60 3knt h PHE 118 N 0.81 -0.40 -0.95 0.92 3.04 -1.24 -3.27 116.94 115.84 3knt h PHE 118 Ca 0.47 -0.01 0.29 0.00 3.98 0.00 0.00 57.97 62.69 3knt h PHE 118 Cb 0.63 0.13 -0.15 0.00 2.56 0.00 0.00 35.95 39.12 3knt h PHE 118 CO -0.00 -0.25 0.42 -0.07 -2.02 0.00 0.00 178.31 176.39 3knt h LEU 119 N -0.85 0.28 -1.71 0.59 3.38 -1.32 -0.13 115.31 115.55 3knt h LEU 119 Ca -0.04 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3knt h LEU 119 Cb 0.33 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3knt h LEU 119 CO 0.07 -0.16 -0.17 0.58 0.09 0.00 0.00 178.44 178.86 3knt h VAL 120 N 0.26 0.72 -0.02 1.22 2.07 -1.34 -2.68 116.25 116.48 3knt h VAL 120 Ca 0.66 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3knt h VAL 120 Cb 1.45 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3knt h VAL 120 CO -0.64 0.17 0.00 -2.11 0.02 0.00 0.00 177.57 175.01 3knt n ARG 121 N -3.75 0.21 0.00 1.57 1.85 -0.13 -4.56 116.66 111.85 3knt n ARG 121 Ca -0.02 -0.90 0.02 0.00 -1.00 0.00 0.00 57.85 55.95 3knt n ARG 121 Cb 0.28 -1.06 -0.01 0.00 -1.05 0.00 0.00 32.46 30.61 3knt n ARG 121 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3knt n ASN 122 N 0.09 0.50 -3.97 2.89 3.02 -0.80 -4.94 115.26 112.07 3knt n ASN 122 Ca 0.02 -0.75 -0.31 0.00 -0.03 0.00 0.00 54.58 53.51 3knt n ASN 122 Cb 0.13 0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 39.90 3knt n ASN 122 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3knt s ILE 123 N -1.17 1.80 0.03 2.41 1.01 -1.02 -5.02 121.20 119.24 3knt s ILE 123 Ca 0.03 -1.62 -0.30 0.00 0.00 0.00 0.00 60.65 58.75 3knt s ILE 123 Cb 0.04 -2.12 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 3knt s ILE 123 CO 0.15 -0.27 1.63 -0.75 0.00 0.00 0.00 174.94 175.70 3knt s LYS 124 N 1.22 4.20 0.00 2.79 2.20 -1.26 -1.85 119.74 127.04 3knt s LYS 124 Ca -0.01 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 3knt s LYS 124 Cb -0.19 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 3knt s LYS 124 CO -0.08 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 3knt n GLY 125 N 3.99 1.30 3.39 5.54 0.00 -1.26 -4.75 105.19 113.40 3knt n GLY 125 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3knt n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knt s ILE 126 N -1.45 3.50 0.00 -0.61 -1.09 -0.77 -4.82 121.20 115.96 3knt s ILE 126 Ca 0.00 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 3knt s ILE 126 Cb 0.00 -2.55 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 3knt s ILE 126 CO 0.00 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 3knt n GLY 127 N 4.07 5.78 0.31 6.18 0.00 -1.26 -4.59 105.19 115.67 3knt n GLY 127 Ca -0.18 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.64 3knt n GLY 127 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3knt h TYR 128 N 0.52 1.14 -0.03 1.61 -1.99 -1.95 -2.04 116.97 114.23 3knt h TYR 128 Ca 0.00 -0.17 0.03 0.00 2.00 0.00 0.00 58.73 60.58 3knt h TYR 128 Cb 0.00 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.39 3knt h TYR 128 CO 0.00 0.98 -0.14 0.37 -0.00 0.00 0.00 178.16 179.37 3knt h GLN 129 N 0.98 -0.21 -0.01 4.88 -0.00 -1.90 -1.59 115.11 117.25 3knt h GLN 129 Ca 0.18 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 3knt h GLN 129 Cb 0.50 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.02 3knt h GLN 129 CO 0.02 -0.14 -0.08 -1.91 0.00 0.00 0.00 178.83 176.72 3knt n GLU 130 N -5.27 1.47 -0.01 1.69 4.07 -1.15 -1.63 120.64 119.80 3knt n GLU 130 Ca -0.05 -0.90 -0.22 0.00 -0.06 0.00 0.00 57.16 55.93 3knt n GLU 130 Cb 0.19 -1.48 -0.14 0.00 -0.06 0.00 0.00 31.44 29.95 3knt n GLU 130 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3knt h ALA 131 N 4.18 0.39 -0.12 4.31 0.00 -1.18 -2.61 119.26 124.23 3knt h ALA 131 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 54.91 53.59 3knt h ALA 131 Cb 0.54 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3knt h ALA 131 CO 0.00 1.18 -0.08 0.77 0.00 0.00 0.00 179.25 181.13 3knt h SER 132 N -0.13 -0.24 -0.52 0.00 0.02 -1.25 0.23 113.55 111.66 3knt h SER 132 Ca -0.41 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 60.70 3knt h SER 132 Cb 1.90 0.13 -0.10 0.00 0.14 0.00 0.00 62.40 64.47 3knt h SER 132 CO 0.04 -0.10 -0.08 -0.74 -1.14 0.00 0.00 176.83 174.80 3knt h HIS 133 N -0.08 -0.19 0.51 3.45 6.17 -1.45 -0.35 115.15 123.22 3knt h HIS 133 Ca 0.07 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.17 3knt h HIS 133 Cb 0.18 0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.28 3knt h HIS 133 CO -0.20 -0.19 -0.26 0.35 0.71 0.00 0.00 177.93 178.34 3knt h PHE 134 N 0.04 -0.68 -0.43 5.26 3.57 -0.82 -2.17 116.94 121.72 3knt h PHE 134 Ca 0.26 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.79 3knt h PHE 134 Cb 0.40 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 3knt h PHE 134 CO -0.40 -0.41 -0.55 -0.07 -2.23 0.00 0.00 178.31 174.66 3knt h LEU 135 N -0.70 -1.84 -0.80 0.59 3.38 -0.52 -1.68 115.31 113.74 3knt h LEU 135 Ca -0.07 0.24 0.17 0.00 0.09 0.00 0.00 57.88 58.32 3knt h LEU 135 Cb 0.54 0.76 -0.15 0.00 0.09 0.00 0.00 40.66 41.90 3knt h LEU 135 CO 0.11 -0.39 -0.11 -0.09 0.09 0.00 0.00 178.44 178.05 3knt h ARG 136 N -0.37 0.03 -0.07 1.13 1.12 -1.07 0.20 114.38 115.36 3knt h ARG 136 Ca 0.07 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 3knt h ARG 136 Cb 0.57 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.52 3knt h ARG 136 CO -0.60 0.02 0.00 -0.91 -3.11 0.00 0.00 179.97 175.38 3knt h ASN 137 N 0.03 0.08 -0.35 -3.80 4.21 -0.64 -2.26 115.58 112.86 3knt h ASN 137 Ca 0.41 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.92 3knt h ASN 137 Cb 0.69 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 3knt h ASN 137 CO -0.77 0.10 0.00 1.33 -1.29 0.00 0.00 177.43 176.80 3knt n VAL 138 N -4.48 0.45 0.00 2.81 0.24 0.67 -4.47 118.33 113.56 3knt n VAL 138 Ca -0.02 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 3knt n VAL 138 Cb 0.12 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3knt n VAL 138 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knt n GLY 139 N 1.30 1.59 3.86 7.63 0.00 -0.85 -4.38 105.19 114.34 3knt n GLY 139 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3knt n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knt s TYR 140 N -2.00 3.63 -0.18 1.61 2.02 -1.17 -4.79 117.35 116.47 3knt s TYR 140 Ca 0.00 0.85 0.10 0.00 -0.37 0.00 0.00 57.07 57.64 3knt s TYR 140 Cb 0.00 -2.19 -0.23 0.00 -0.40 0.00 0.00 41.96 39.14 3knt s TYR 140 CO 0.00 0.56 0.13 -0.25 -1.57 0.00 0.00 175.55 174.43 3knt n ASP 141 N 1.22 0.96 -3.40 2.29 8.00 -1.26 -4.34 116.55 120.01 3knt n ASP 141 Ca -0.10 0.06 -0.38 0.00 0.71 0.00 0.00 54.79 55.09 3knt n ASP 141 Cb 0.52 0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.83 3knt n ASP 141 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3knt n ASP 142 N -3.03 6.71 -3.87 -2.24 2.03 -1.26 -2.35 116.55 112.54 3knt n ASP 142 Ca -0.33 -3.70 -0.11 0.00 0.52 0.00 0.00 54.79 51.16 3knt n ASP 142 Cb 1.08 -1.01 -0.10 0.00 -0.72 0.00 0.00 41.12 40.37 3knt n ASP 142 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3knt s VAL 143 N -4.47 0.09 0.00 5.18 -7.23 -1.26 -4.83 120.40 107.88 3knt s VAL 143 Ca 0.42 -0.75 0.04 0.00 -1.81 0.00 0.00 61.98 59.88 3knt s VAL 143 Cb 0.24 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 3knt s VAL 143 CO -0.16 -0.41 -0.09 0.00 -0.31 0.00 0.00 175.10 174.13 3knt s ALA 144 N -1.66 2.93 -0.45 1.32 0.00 -1.26 -4.24 121.76 118.40 3knt s ALA 144 Ca -0.13 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.66 3knt s ALA 144 Cb -0.06 -1.07 0.07 0.00 0.00 0.00 0.00 23.12 22.06 3knt s ALA 144 CO 0.00 0.60 0.34 0.42 0.00 0.00 0.00 175.76 177.13 3knt s ILE 145 N -0.96 4.93 -1.09 0.00 1.01 -1.26 -4.67 121.20 119.16 3knt s ILE 145 Ca 0.16 -1.10 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 3knt s ILE 145 Cb -0.11 -3.93 0.30 0.00 0.01 0.00 0.00 42.46 38.73 3knt s ILE 145 CO 0.06 -0.51 1.35 -0.38 0.00 0.00 0.00 174.94 175.46 3knt n ILE 146 N 5.11 5.05 -2.01 2.92 5.41 -1.26 -4.85 119.36 129.72 3knt n ILE 146 Ca -0.12 -5.74 -0.03 0.00 1.00 0.00 0.00 62.75 57.87 3knt n ILE 146 Cb 0.44 -2.26 0.02 0.00 -0.71 0.00 0.00 39.64 37.12 3knt n ILE 146 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3knt n ASP 147 N 1.80 0.13 -0.24 4.38 3.85 -1.26 -4.89 116.55 120.33 3knt n ASP 147 Ca 0.25 -1.12 -0.07 0.00 -0.71 0.00 0.00 54.79 53.14 3knt n ASP 147 Cb 0.35 -0.09 0.04 0.00 -1.35 0.00 0.00 41.12 40.07 3knt n ASP 147 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 3knt h ARG 148 N 0.00 1.05 0.76 0.11 0.11 -1.99 -2.14 114.38 112.28 3knt h ARG 148 Ca -0.04 -0.24 -0.04 0.00 0.10 0.00 0.00 59.98 59.76 3knt h ARG 148 Cb 0.15 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 31.09 3knt h ARG 148 CO 0.04 0.92 -0.37 0.45 0.10 0.00 0.00 179.97 181.12 3knt h HIS 149 N 0.98 -0.95 0.00 4.08 3.86 -1.97 -1.83 115.15 119.32 3knt h HIS 149 Ca 0.21 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3knt h HIS 149 Cb 0.32 0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 3knt h HIS 149 CO 0.02 -0.59 -0.18 -0.84 0.86 0.00 0.00 177.93 177.20 3knt h ILE 150 N -1.11 0.89 0.43 2.45 -0.00 -1.89 -2.08 117.51 116.20 3knt h ILE 150 Ca -0.10 -0.68 -0.02 0.00 -0.00 0.00 0.00 64.86 64.06 3knt h ILE 150 Cb 0.78 1.39 -0.00 0.00 -0.00 0.00 0.00 36.82 39.00 3knt h ILE 150 CO 0.17 0.18 -0.26 -0.07 -0.00 0.00 0.00 178.15 178.17 3knt h LEU 151 N 0.00 -0.67 -0.04 0.16 3.38 -1.23 0.45 115.31 117.36 3knt h LEU 151 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3knt h LEU 151 Cb 0.38 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3knt h LEU 151 CO 0.02 -0.40 0.00 -2.11 0.09 0.00 0.00 178.44 176.04 3knt n ARG 152 N -3.96 0.83 -0.10 1.13 0.00 -0.70 -0.38 116.66 113.48 3knt n ARG 152 Ca -0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.59 3knt n ARG 152 Cb 0.27 -1.02 -0.09 0.00 -0.00 0.00 0.00 32.46 31.62 3knt n ARG 152 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3knt n GLU 153 N -0.47 0.54 -0.01 2.89 4.07 -0.80 -2.97 120.64 123.89 3knt n GLU 153 Ca 0.00 0.56 -0.10 0.00 -0.06 0.00 0.00 57.16 57.56 3knt n GLU 153 Cb 0.01 -1.73 -0.07 0.00 -0.06 0.00 0.00 31.44 29.59 3knt n GLU 153 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3knt h LEU 154 N -1.00 -1.13 -0.83 4.31 3.38 -0.02 -2.15 115.31 117.87 3knt h LEU 154 Ca -0.28 0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.03 3knt h LEU 154 Cb 1.14 0.44 -0.14 0.00 0.09 0.00 0.00 40.66 42.19 3knt h LEU 154 CO -0.17 -0.32 0.14 0.22 0.09 0.00 0.00 178.44 178.40 3knt h TYR 155 N -0.38 0.19 0.00 1.13 3.20 -0.91 0.27 116.97 120.47 3knt h TYR 155 Ca 0.02 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3knt h TYR 155 Cb 0.44 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3knt h TYR 155 CO -0.54 -0.22 0.00 -1.91 -1.64 0.00 0.00 178.16 173.85 3knt n GLU 156 N -5.27 0.00 -0.07 1.82 2.13 -0.82 -1.07 120.64 117.36 3knt n GLU 156 Ca 0.18 0.35 0.03 0.00 0.66 0.00 0.00 57.16 58.38 3knt n GLU 156 Cb 0.60 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.85 3knt n GLU 156 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3knt n ASN 157 N -1.50 1.66 -2.94 4.31 4.13 0.92 -5.02 115.26 116.82 3knt n ASN 157 Ca 0.02 -2.21 -0.13 0.00 1.68 0.00 0.00 54.58 53.93 3knt n ASN 157 Cb 0.10 -0.16 0.07 0.00 -1.54 0.00 0.00 39.78 38.26 3knt n ASN 157 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3knt n ASN 158 N -0.69 -2.70 -0.02 6.41 3.02 -0.23 -4.89 115.26 116.16 3knt n ASN 158 Ca 0.05 -0.51 0.06 0.00 -0.03 0.00 0.00 54.58 54.15 3knt n ASN 158 Cb 0.45 -4.23 -0.16 0.00 -0.61 0.00 0.00 39.78 35.24 3knt n ASN 158 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3knt n TYR 159 N -3.40 0.08 -3.98 3.10 4.02 -1.16 -4.95 117.16 110.87 3knt n TYR 159 Ca -0.20 0.02 -0.09 0.00 -0.01 0.00 0.00 57.90 57.63 3knt n TYR 159 Cb 0.63 -0.66 -0.10 0.00 -0.02 0.00 0.00 39.34 39.19 3knt n TYR 159 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3knt s ILE 160 N -3.25 0.14 -2.08 -0.72 -4.36 -1.26 -4.98 121.20 104.68 3knt s ILE 160 Ca -0.08 -1.17 0.26 0.00 -0.26 0.00 0.00 60.65 59.40 3knt s ILE 160 Cb 0.12 -0.77 0.27 0.00 1.25 0.00 0.00 42.46 43.33 3knt s ILE 160 CO 0.88 -0.64 1.48 0.47 0.24 0.00 0.00 174.94 177.37 3knt n ASP 161 N 0.98 1.50 -3.55 4.36 8.00 -1.26 -4.63 116.55 121.95 3knt n ASP 161 Ca -0.20 -1.25 -0.11 0.00 0.71 0.00 0.00 54.79 53.94 3knt n ASP 161 Cb 0.58 0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.79 3knt n ASP 161 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3knt s GLU 162 N -2.34 0.73 -0.59 -1.24 0.41 -1.26 -5.10 118.70 109.31 3knt s GLU 162 Ca 0.26 0.03 -0.22 0.00 -0.41 0.00 0.00 54.97 54.63 3knt s GLU 162 Cb 0.19 0.34 0.06 0.00 -1.78 0.00 0.00 34.13 32.94 3knt s GLU 162 CO 0.47 -0.26 0.89 0.42 -0.49 0.00 0.00 175.26 176.29 3knt s ILE 163 N -1.72 4.46 0.40 -1.63 -1.09 -1.26 -4.98 121.20 115.38 3knt s ILE 163 Ca -0.01 -0.16 -0.26 0.00 -2.23 0.00 0.00 60.65 57.98 3knt s ILE 163 Cb -0.01 -4.56 -0.09 0.00 -1.58 0.00 0.00 42.46 36.23 3knt s ILE 163 CO -0.00 -1.20 1.29 -2.16 -1.23 0.00 0.00 174.94 171.64 3knt s PRO 164 N 3.72 4.02 0.20 2.79 0.04 -1.26 -4.93 135.00 139.59 3knt s PRO 164 Ca 0.24 2.14 -0.09 0.00 0.04 0.00 0.00 61.00 63.33 3knt s PRO 164 Cb -0.16 -2.79 0.14 0.00 0.04 0.00 0.00 34.50 31.73 3knt s PRO 164 CO 0.14 -0.44 1.78 0.87 0.04 0.00 0.00 177.00 179.39 3knt h LYS 165 N 2.76 1.11 -4.98 4.56 6.56 -2.08 -3.43 116.57 121.08 3knt h LYS 165 Ca -0.49 -0.18 -0.39 0.00 -1.06 0.00 0.00 60.65 58.53 3knt h LYS 165 Cb 1.24 -0.19 -0.25 0.00 -0.57 0.00 0.00 32.23 32.47 3knt h LYS 165 CO 0.63 0.89 -0.77 0.99 -2.06 0.00 0.00 179.45 179.12 3knt s THR 166 N -5.62 0.86 -0.34 -0.16 2.01 -1.26 -5.13 115.64 106.00 3knt s THR 166 Ca -0.13 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 60.85 3knt s THR 166 Cb 0.15 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 3knt s THR 166 CO 0.82 -0.06 0.32 -0.76 -0.69 0.00 0.00 174.62 174.26 3knt s LEU 167 N -1.05 4.48 0.51 4.42 1.43 -1.26 -5.05 118.68 122.15 3knt s LEU 167 Ca -0.01 -0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 3knt s LEU 167 Cb -0.07 -2.27 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 3knt s LEU 167 CO 0.01 -0.31 1.04 -0.44 0.23 0.00 0.00 176.35 176.88 3knt s SER 168 N 1.73 6.24 0.24 2.29 0.01 -1.26 -4.73 113.70 118.22 3knt s SER 168 Ca 0.10 1.91 -0.06 0.00 1.31 0.00 0.00 55.95 59.21 3knt s SER 168 Cb -0.17 -2.56 0.29 0.00 0.21 0.00 0.00 66.02 63.80 3knt s SER 168 CO 0.11 -0.85 1.88 -0.09 0.41 0.00 0.00 173.24 174.70 3knt h ARG 169 N 1.36 1.07 -0.69 12.44 2.43 -1.97 2.31 114.38 131.31 3knt h ARG 169 Ca -0.49 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.57 3knt h ARG 169 Cb 1.22 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 3knt h ARG 169 CO 0.59 0.71 0.25 -0.09 -1.51 0.00 0.00 179.97 179.92 3knt h ARG 170 N 1.10 1.05 -0.56 0.20 2.43 -1.98 0.80 114.38 117.42 3knt h ARG 170 Ca 0.36 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3knt h ARG 170 Cb 0.04 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3knt h ARG 170 CO -0.13 0.89 0.13 0.87 -1.51 0.00 0.00 179.97 180.22 3knt h LYS 171 N 1.00 0.90 -0.31 0.20 1.57 -0.63 -0.04 116.57 119.26 3knt h LYS 171 Ca 0.23 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 3knt h LYS 171 Cb 0.25 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3knt h LYS 171 CO -0.01 0.84 -0.47 -0.92 -0.57 0.00 0.00 179.45 178.32 3knt h TYR 172 N 0.80 1.06 -0.74 -1.35 3.20 0.38 -2.07 116.97 118.25 3knt h TYR 172 Ca 0.18 -0.36 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 3knt h TYR 172 Cb 0.35 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3knt h TYR 172 CO 0.02 1.18 0.28 -0.07 -1.64 0.00 0.00 178.16 177.93 3knt h LEU 173 N 0.64 1.04 -0.56 2.82 3.38 -0.72 -0.82 115.31 121.10 3knt h LEU 173 Ca 0.03 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3knt h LEU 173 Cb 1.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3knt h LEU 173 CO 0.11 0.95 0.01 -0.33 0.09 0.00 0.00 178.44 179.27 3knt h GLU 174 N 1.08 0.97 -0.66 1.13 5.08 -0.94 -1.60 114.58 119.65 3knt h GLU 174 Ca 0.25 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3knt h GLU 174 Cb 0.24 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3knt h GLU 174 CO -0.02 0.97 0.07 0.82 -1.00 0.00 0.00 179.01 179.85 3knt h ILE 175 N 0.86 1.27 0.38 3.13 2.04 -1.10 -2.43 117.51 121.65 3knt h ILE 175 Ca 0.16 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3knt h ILE 175 Cb 0.52 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3knt h ILE 175 CO 0.03 0.40 -0.18 -0.08 0.00 0.00 0.00 178.15 178.32 3knt h GLU 176 N 1.03 -0.49 -0.96 2.37 4.81 -1.03 -1.38 114.58 118.93 3knt h GLU 176 Ca 0.19 0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.69 3knt h GLU 176 Cb 0.49 0.11 -0.18 0.00 0.63 0.00 0.00 28.75 29.80 3knt h GLU 176 CO 0.02 -0.23 -0.07 -0.91 -0.73 0.00 0.00 179.01 177.09 3knt h ASN 177 N -0.69 -0.62 -0.73 1.04 2.35 -1.26 0.55 115.58 116.22 3knt h ASN 177 Ca -0.05 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3knt h ASN 177 Cb 0.49 0.52 -0.04 0.00 0.05 0.00 0.00 38.32 39.34 3knt h ASN 177 CO 0.09 -0.33 0.47 0.40 -1.65 0.00 0.00 177.43 176.41 3knt h ILE 178 N 0.01 1.20 -0.30 2.81 2.04 -0.83 -1.82 117.51 120.62 3knt h ILE 178 Ca 0.54 -0.38 -0.19 0.00 1.00 0.00 0.00 64.86 65.83 3knt h ILE 178 Cb 1.00 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3knt h ILE 178 CO -0.93 0.19 -0.54 -0.07 0.00 0.00 0.00 178.15 176.81 3knt h LEU 179 N 1.00 0.99 -1.00 1.44 3.38 0.10 -3.07 115.31 118.15 3knt h LEU 179 Ca 0.27 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3knt h LEU 179 Cb -0.09 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.32 3knt h LEU 179 CO -0.06 1.33 0.66 -0.09 0.09 0.00 0.00 178.44 180.37 3knt h ARG 180 N 0.68 1.27 -0.47 1.13 2.43 0.02 0.75 114.38 120.20 3knt h ARG 180 Ca 0.02 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3knt h ARG 180 Cb 1.15 -0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 3knt h ARG 180 CO 0.12 0.84 0.22 -0.44 -1.51 0.00 0.00 179.97 179.20 3knt h ASP 181 N 1.31 0.30 -0.34 -3.80 3.32 -1.33 0.37 116.42 116.25 3knt h ASP 181 Ca 0.38 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.52 3knt h ASP 181 Cb -0.08 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 3knt h ASP 181 CO -0.10 0.21 0.05 0.40 -1.72 0.00 0.00 179.24 178.07 3knt h ILE 182 N 0.44 0.81 -0.53 0.35 2.04 -1.30 -0.80 117.51 118.51 3knt h ILE 182 Ca 0.21 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 66.12 3knt h ILE 182 Cb 0.15 0.64 -0.11 0.00 -0.74 0.00 0.00 36.82 36.76 3knt h ILE 182 CO -0.17 0.03 -0.25 1.23 0.00 0.00 0.00 178.15 178.99 3knt h GLY 183 N 0.15 0.08 0.96 5.37 0.00 0.18 0.44 103.07 110.25 3knt h GLY 183 Ca 0.16 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 3knt h GLY 183 CO -0.23 -0.22 -0.15 0.83 0.00 0.00 0.00 176.54 176.77 3knt h GLU 184 N -0.12 -0.38 -0.33 4.80 5.08 -0.17 0.61 114.58 124.06 3knt h GLU 184 Ca 0.24 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 3knt h GLU 184 Cb 0.50 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 3knt h GLU 184 CO -0.61 -0.25 -0.35 1.49 -1.00 0.00 0.00 179.01 178.29 3knt h GLU 185 N -0.39 -0.30 -0.00 2.33 4.81 -0.04 -1.14 114.58 119.84 3knt h GLU 185 Ca -0.03 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3knt h GLU 185 Cb 0.32 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3knt h GLU 185 CO 0.04 -0.20 -0.06 1.33 -0.73 0.00 0.00 179.01 179.39 3knt n VAL 186 N -5.42 0.00 -1.18 0.32 0.24 0.14 -4.94 118.33 107.50 3knt n VAL 186 Ca -0.00 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.34 62.23 3knt n VAL 186 Cb 0.34 -0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 32.41 3knt n VAL 186 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3knt n ASN 187 N -1.12 -3.31 -4.18 -1.34 5.15 0.17 -5.04 115.26 105.60 3knt n ASN 187 Ca 0.14 0.08 -0.22 0.00 -0.60 0.00 0.00 54.58 53.99 3knt n ASN 187 Cb 0.26 -1.25 -0.14 0.00 -0.53 0.00 0.00 39.78 38.12 3knt n ASN 187 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3knt s LEU 188 N -0.83 2.17 0.64 1.20 1.43 0.11 -4.96 118.68 118.44 3knt s LEU 188 Ca 0.00 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 3knt s LEU 188 Cb 0.00 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 3knt s LEU 188 CO 0.00 0.07 1.30 0.29 0.23 0.00 0.00 176.35 178.24 3knt n LYS 189 N 1.89 1.15 0.29 1.70 4.01 -1.26 -4.40 118.16 121.53 3knt n LYS 189 Ca -0.18 0.45 0.17 0.00 -0.51 0.00 0.00 58.31 58.24 3knt n LYS 189 Cb 0.54 -2.53 0.95 0.00 -0.51 0.00 0.00 35.03 33.48 3knt n LYS 189 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 3knt h LEU 190 N 0.58 0.00 0.33 -0.35 3.38 -1.82 0.32 115.31 117.74 3knt h LEU 190 Ca -0.51 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 3knt h LEU 190 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3knt h LEU 190 CO 0.53 0.00 -0.16 0.77 0.09 0.00 0.00 178.44 179.67 3knt h SER 191 N 0.00 -0.38 -0.38 -0.43 4.64 -1.64 -2.08 113.55 113.29 3knt h SER 191 Ca 0.02 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3knt h SER 191 Cb 0.11 0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 62.21 3knt h SER 191 CO -0.00 -0.20 -0.46 -0.33 -0.87 0.00 0.00 176.83 174.96 3knt h GLU 192 N -0.58 -0.35 -0.80 4.77 5.08 -1.75 -2.61 114.58 118.34 3knt h GLU 192 Ca -0.05 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 3knt h GLU 192 Cb 0.34 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.53 3knt h GLU 192 CO 0.07 -0.24 -0.31 1.25 -1.00 0.00 0.00 179.01 178.79 3knt h LEU 193 N -0.37 -1.10 -1.63 1.33 5.85 -0.47 -1.39 115.31 117.53 3knt h LEU 193 Ca 0.11 0.26 0.03 0.00 0.84 0.00 0.00 57.88 59.13 3knt h LEU 193 Cb 0.60 0.61 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3knt h LEU 193 CO -0.56 -0.29 0.29 -0.78 -0.34 0.00 0.00 178.44 176.76 3knt h ASP 194 N -0.06 0.42 0.62 1.25 1.82 -0.97 0.39 116.42 119.89 3knt h ASP 194 Ca 0.33 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.88 3knt h ASP 194 Cb 0.59 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 3knt h ASP 194 CO -0.84 0.29 -0.37 -0.07 -1.61 0.00 0.00 179.24 176.64 3knt h LEU 195 N 0.48 0.00 0.03 2.28 3.38 -1.22 -1.96 115.31 118.30 3knt h LEU 195 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3knt h LEU 195 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3knt h LEU 195 CO -0.04 0.37 -0.01 1.88 0.09 0.00 0.00 178.44 180.72 3knt h TYR 196 N 0.00 -0.04 -1.03 1.13 -1.99 -0.84 -2.66 116.97 111.53 3knt h TYR 196 Ca -0.00 -0.00 0.27 0.00 2.00 0.00 0.00 58.73 61.00 3knt h TYR 196 Cb 0.78 0.01 -0.12 0.00 2.00 0.00 0.00 36.73 39.41 3knt h TYR 196 CO 0.00 -0.02 0.63 0.82 -0.00 0.00 0.00 178.16 179.59 3knt h ILE 197 N -0.08 0.48 -0.69 -2.88 2.04 -1.51 0.67 117.51 115.55 3knt h ILE 197 Ca -0.00 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3knt h ILE 197 Cb 0.03 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 3knt h ILE 197 CO 0.01 0.08 0.29 -0.25 0.00 0.00 0.00 178.15 178.29 3knt h TRP 198 N 0.46 1.00 -0.26 1.37 7.01 -1.43 -2.64 115.95 121.48 3knt h TRP 198 Ca 0.65 -0.05 -0.12 0.00 2.11 0.00 0.00 58.89 61.47 3knt h TRP 198 Cb 1.45 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 28.19 3knt h TRP 198 CO -0.01 0.75 -0.35 -0.92 -2.79 0.00 0.00 178.44 175.13 3knt h TYR 199 N 0.98 0.66 -0.07 2.65 5.03 0.70 -2.72 116.97 124.20 3knt h TYR 199 Ca 0.23 -0.17 0.02 0.00 2.58 0.00 0.00 58.73 61.39 3knt h TYR 199 Cb 0.16 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 3knt h TYR 199 CO 0.01 0.84 0.17 -0.07 -1.32 0.00 0.00 178.16 177.79 3knt h LEU 200 N 0.47 0.00 0.00 2.82 3.38 -0.99 -2.13 115.31 118.86 3knt h LEU 200 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3knt h LEU 200 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3knt h LEU 200 CO 0.07 0.00 -0.60 0.54 0.09 0.00 0.00 178.44 178.54 3knt n ARG 201 N -3.33 0.39 -0.02 1.13 5.12 -1.05 -4.77 116.66 114.12 3knt n ARG 201 Ca -0.01 0.32 -0.08 0.00 -1.93 0.00 0.00 57.85 56.14 3knt n ARG 201 Cb 0.25 -1.37 -0.14 0.00 -1.16 0.00 0.00 32.46 30.04 3knt n ARG 201 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3knt n THR 202 N -4.09 1.59 -0.44 0.55 -2.24 -1.06 -4.99 114.28 103.60 3knt n THR 202 Ca -0.08 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3knt n THR 202 Cb 0.31 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 3knt n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knt n GLY 203 N 1.55 0.75 3.10 3.38 0.00 -0.80 -5.06 105.19 108.11 3knt n GLY 203 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 3knt n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knt s LYS 204 N -0.56 1.00 -0.94 1.61 1.02 -1.26 -5.06 119.74 115.55 3knt s LYS 204 Ca 0.00 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.45 3knt s LYS 204 Cb 0.00 -0.97 0.26 0.00 -0.52 0.00 0.00 37.83 36.60 3knt s LYS 204 CO 0.00 0.26 1.06 0.28 -0.92 0.00 0.00 175.35 176.03 3knt n VAL 205 N 2.57 3.88 0.00 3.17 0.31 -1.26 -4.58 118.33 122.42 3knt n VAL 205 Ca -0.15 -5.45 0.00 0.00 -0.01 0.00 0.00 64.34 58.73 3knt n VAL 205 Cb 0.55 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 3knt n VAL 205 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3knt n LEU 206 N 1.73 0.00 0.00 7.52 4.77 -1.26 -4.99 117.00 124.76 3knt n LEU 206 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3knt n LEU 206 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3knt n LEU 206 CO 0.51 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.86