#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knf s ARG 2 N 0.00 2.96 0.02 2.12 0.52 -0.88 -0.84 118.95 122.86 3knf s ARG 2 Ca 0.00 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 3knf s ARG 2 Cb 0.00 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 3knf s ARG 2 CO 0.00 0.69 -0.05 0.54 0.02 0.00 0.00 175.30 176.51 3knf s VAL 3 N -0.92 0.29 -0.29 3.52 0.11 -0.06 -0.48 120.40 122.57 3knf s VAL 3 Ca 0.14 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 3knf s VAL 3 Cb -0.11 -0.37 0.08 0.00 -1.53 0.00 0.00 36.38 34.45 3knf s VAL 3 CO 0.04 -0.31 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.77 3knf s VAL 4 N -1.06 2.11 -0.13 2.04 1.01 0.07 -2.21 120.40 122.22 3knf s VAL 4 Ca -0.09 -1.89 -0.16 0.00 0.00 0.00 0.00 61.98 59.84 3knf s VAL 4 Cb -0.08 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3knf s VAL 4 CO -0.00 -0.30 0.38 -0.63 0.00 0.00 0.00 175.10 174.54 3knf s ILE 5 N 1.06 5.24 0.00 2.22 1.01 0.32 -1.82 121.20 129.23 3knf s ILE 5 Ca 0.00 0.73 0.05 0.00 0.00 0.00 0.00 60.65 61.44 3knf s ILE 5 Cb -0.19 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 3knf s ILE 5 CO -0.07 0.37 -0.16 -1.10 0.00 0.00 0.00 174.94 173.98 3knf s GLN 6 N 0.43 1.25 -0.34 2.79 -0.21 0.30 0.30 119.66 124.18 3knf s GLN 6 Ca 0.21 -0.65 -0.19 0.00 0.02 0.00 0.00 55.36 54.75 3knf s GLN 6 Cb -0.14 -1.24 -0.00 0.00 1.00 0.00 0.00 33.01 32.63 3knf s GLN 6 CO 0.07 0.33 0.55 0.50 -2.12 0.00 0.00 175.29 174.63 3knf s ARG 7 N -0.60 3.70 0.10 2.91 3.52 0.18 -0.57 118.95 128.18 3knf s ARG 7 Ca 0.06 -0.03 0.10 0.00 -0.13 0.00 0.00 55.73 55.73 3knf s ARG 7 Cb -0.07 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 3knf s ARG 7 CO -0.00 -0.64 -0.26 0.14 -0.81 0.00 0.00 175.30 173.73 3knf s VAL 8 N 2.49 2.13 -0.78 7.11 -7.23 0.19 -0.00 120.40 124.31 3knf s VAL 8 Ca 0.21 -1.61 0.24 0.00 -1.81 0.00 0.00 61.98 59.01 3knf s VAL 8 Cb -0.15 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.92 3knf s VAL 8 CO 0.13 0.15 1.31 0.29 -0.31 0.00 0.00 175.10 176.68 3knf n LYS 9 N 1.21 0.18 0.00 4.82 5.02 0.15 -0.25 118.16 129.28 3knf n LYS 9 Ca -0.18 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3knf n LYS 9 Cb 0.53 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3knf n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knf n GLY 10 N 1.41 0.60 3.57 0.72 0.00 -0.64 -2.69 105.19 108.17 3knf n GLY 10 Ca 0.04 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 3knf n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knf s ALA 11 N -2.00 -1.77 -0.21 4.61 0.00 0.23 -1.43 121.76 121.18 3knf s ALA 11 Ca 0.00 2.23 -0.07 0.00 0.00 0.00 0.00 51.96 54.12 3knf s ALA 11 Cb 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 3knf s ALA 11 CO 0.00 -0.55 0.06 0.42 0.00 0.00 0.00 175.76 175.70 3knf s ILE 12 N 2.04 4.54 -0.19 0.00 1.09 -0.41 -1.55 121.20 126.72 3knf s ILE 12 Ca -0.08 -0.11 -0.04 0.00 -1.10 0.00 0.00 60.65 59.32 3knf s ILE 12 Cb -0.08 -3.08 -0.02 0.00 -1.06 0.00 0.00 42.46 38.22 3knf s ILE 12 CO -0.18 0.40 -0.04 -0.22 -0.10 0.00 0.00 174.94 174.80 3knf s LEU 13 N 0.96 3.08 0.49 2.97 0.20 -0.05 -1.11 118.68 125.21 3knf s LEU 13 Ca 0.04 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 54.62 3knf s LEU 13 Cb -0.14 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 3knf s LEU 13 CO 0.03 0.08 0.02 -0.44 -0.29 0.00 0.00 176.35 175.74 3knf s SER 14 N 0.92 4.10 0.10 3.68 0.01 0.77 -1.69 113.70 121.59 3knf s SER 14 Ca -0.00 -1.57 -0.15 0.00 1.31 0.00 0.00 55.95 55.54 3knf s SER 14 Cb -0.15 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.41 3knf s SER 14 CO 0.01 -0.77 0.35 0.68 0.41 0.00 0.00 173.24 173.93 3knf s VAL 15 N -2.83 0.08 0.53 3.43 -7.23 -0.93 -2.09 120.40 111.36 3knf s VAL 15 Ca 0.14 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.41 3knf s VAL 15 Cb 0.03 -1.17 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 3knf s VAL 15 CO 0.07 -0.39 1.14 -0.13 -0.31 0.00 0.00 175.10 175.49 3knf s ARG 16 N -3.60 3.40 -0.03 4.82 0.52 -1.26 -0.23 118.95 122.56 3knf s ARG 16 Ca 0.02 1.66 -0.17 0.00 -0.52 0.00 0.00 55.73 56.72 3knf s ARG 16 Cb 0.02 -2.07 -0.32 0.00 0.52 0.00 0.00 34.95 33.10 3knf s ARG 16 CO -0.10 -0.82 0.82 0.87 0.02 0.00 0.00 175.30 176.09 3knf h LYS 17 N 1.33 0.39 -5.58 3.54 1.79 -1.97 -3.45 116.57 112.61 3knf h LYS 17 Ca -0.50 -0.66 -0.34 0.00 -2.18 0.00 0.00 60.65 56.97 3knf h LYS 17 Cb 1.26 0.25 -0.12 0.00 -1.58 0.00 0.00 32.23 32.04 3knf h LYS 17 CO 0.57 1.32 -0.50 -0.85 -1.08 0.00 0.00 179.45 178.91 3knf n GLU 18 N -3.86 -2.77 0.03 3.15 -0.00 -1.26 -5.11 120.64 110.82 3knf n GLU 18 Ca -0.19 0.33 -0.02 0.00 -0.00 0.00 0.00 57.16 57.28 3knf n GLU 18 Cb 0.98 -4.97 -0.01 0.00 -0.00 0.00 0.00 31.44 27.44 3knf n GLU 18 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3knf h GLU 26 N -0.71 -0.11 -6.28 3.44 4.57 -2.02 -3.56 114.58 109.90 3knf h GLU 26 Ca -0.37 0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.20 3knf h GLU 26 Cb 1.25 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.77 3knf h GLU 26 CO 0.49 -0.08 -0.62 -0.51 -1.18 0.00 0.00 179.01 177.11 3knf s LEU 27 N -5.99 3.58 -0.21 1.64 1.43 -1.26 -4.57 118.68 113.30 3knf s LEU 27 Ca -0.02 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3knf s LEU 27 Cb 0.00 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 44.00 3knf s LEU 27 CO 0.05 0.12 -0.15 -0.70 0.23 0.00 0.00 176.35 175.91 3knf s GLU 28 N -2.72 2.84 0.36 1.70 2.12 0.68 -4.91 118.70 118.78 3knf s GLU 28 Ca 0.28 -0.95 -0.27 0.00 0.36 0.00 0.00 54.97 54.40 3knf s GLU 28 Cb -0.11 -2.74 -0.09 0.00 0.26 0.00 0.00 34.13 31.45 3knf s GLU 28 CO 0.20 -0.31 1.22 0.42 -0.54 0.00 0.00 175.26 176.25 3knf s ILE 29 N 1.27 2.98 0.00 -3.70 1.01 -1.26 -2.19 121.20 119.31 3knf s ILE 29 Ca 0.01 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.56 3knf s ILE 29 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3knf s ILE 29 CO -0.09 0.15 0.00 2.30 0.00 0.00 0.00 174.94 177.30 3knf n ILE 30 N 0.45 0.00 -4.03 2.92 -5.35 -0.68 -4.96 119.36 107.70 3knf n ILE 30 Ca 0.02 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 3knf n ILE 30 Cb 0.44 -0.54 -0.12 0.00 -1.74 0.00 0.00 39.64 37.69 3knf n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3knf s SER 31 N -2.88 0.59 -0.19 7.28 0.01 -1.16 -5.05 113.70 112.29 3knf s SER 31 Ca 0.00 -0.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.64 3knf s SER 31 Cb 0.00 0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.33 3knf s SER 31 CO 0.00 -0.21 0.50 -0.70 0.41 0.00 0.00 173.24 173.24 3knf s GLU 32 N -1.35 0.55 0.10 12.44 2.12 -1.26 -0.87 118.70 130.43 3knf s GLU 32 Ca -0.11 0.79 0.03 0.00 0.36 0.00 0.00 54.97 56.04 3knf s GLU 32 Cb -0.09 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 3knf s GLU 32 CO -0.00 -0.10 -0.09 0.96 -0.54 0.00 0.00 175.26 175.48 3knf s ILE 33 N 0.74 0.93 0.00 -3.70 -0.00 -0.60 -4.98 121.20 113.59 3knf s ILE 33 Ca -0.04 -1.76 0.00 0.00 -0.00 0.00 0.00 60.65 58.86 3knf s ILE 33 Cb -0.05 -1.49 0.00 0.00 -0.00 0.00 0.00 42.46 40.92 3knf s ILE 33 CO -0.05 -0.64 0.00 0.29 -0.00 0.00 0.00 174.94 174.53 3knf n LYS 34 N 0.34 0.00 -2.17 0.37 4.76 -1.26 -0.60 118.16 119.59 3knf n LYS 34 Ca -0.14 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.88 3knf n LYS 34 Cb 0.59 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.75 3knf n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3knf s ASN 35 N -1.00 6.84 0.00 4.39 0.01 -1.09 -1.62 114.94 122.47 3knf s ASN 35 Ca 0.00 2.48 0.00 0.00 -0.71 0.00 0.00 52.86 54.63 3knf s ASN 35 Cb 0.00 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3knf s ASN 35 CO 0.00 -0.56 0.00 0.61 -1.51 0.00 0.00 177.10 175.64 3knf n GLY 36 N 2.19 0.14 3.42 0.66 0.00 0.65 -1.79 105.19 110.46 3knf n GLY 36 Ca 0.06 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3knf n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knf s LEU 37 N 0.00 2.47 -0.16 0.99 1.43 -0.94 0.53 118.68 123.00 3knf s LEU 37 Ca 0.00 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3knf s LEU 37 Cb 0.00 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.82 3knf s LEU 37 CO 0.00 0.23 -0.20 -0.51 0.23 0.00 0.00 176.35 176.10 3knf s ILE 38 N -0.96 2.20 -0.21 -0.59 -1.16 0.26 -1.92 121.20 118.82 3knf s ILE 38 Ca 0.14 -0.91 0.01 0.00 -0.51 0.00 0.00 60.65 59.38 3knf s ILE 38 Cb -0.10 -1.91 0.03 0.00 0.61 0.00 0.00 42.46 41.09 3knf s ILE 38 CO 0.05 0.54 -0.15 0.00 -2.81 0.00 0.00 174.94 172.57 3knf s PHE 40 N 1.26 3.19 -0.19 0.00 0.08 -0.75 -1.06 117.98 120.50 3knf s PHE 40 Ca 0.01 -0.88 -0.07 0.00 0.12 0.00 0.00 56.93 56.10 3knf s PHE 40 Cb -0.15 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 38.88 3knf s PHE 40 CO -0.09 -0.91 0.06 -1.17 -0.10 0.00 0.00 175.22 173.01 3knf s LEU 41 N 1.93 3.77 -0.11 -0.37 2.96 0.10 -0.75 118.68 126.21 3knf s LEU 41 Ca 0.07 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3knf s LEU 41 Cb -0.24 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.50 3knf s LEU 41 CO 0.07 0.15 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.23 3knf s GLY 42 N 0.51 1.20 -0.04 7.98 0.00 0.37 0.11 107.32 117.45 3knf s GLY 42 Ca 0.03 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 43.66 3knf s GLY 42 CO 0.01 -0.02 0.60 -0.42 0.00 0.00 0.00 173.10 173.27 3knf s ILE 43 N 0.71 5.00 -0.16 0.90 -1.09 -1.26 -2.07 121.20 123.24 3knf s ILE 43 Ca -0.11 1.25 -0.13 0.00 -2.23 0.00 0.00 60.65 59.42 3knf s ILE 43 Cb -0.16 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 3knf s ILE 43 CO 0.02 0.35 0.28 -2.28 -1.23 0.00 0.00 174.94 172.08 3knf s HIS 44 N 0.25 3.47 0.03 3.97 5.65 -1.26 -1.53 115.29 125.87 3knf s HIS 44 Ca 0.32 0.58 -0.03 0.00 0.25 0.00 0.00 55.06 56.18 3knf s HIS 44 Cb -0.17 -2.32 0.03 0.00 -1.18 0.00 0.00 32.58 28.94 3knf s HIS 44 CO 0.16 0.26 0.24 1.63 -0.65 0.00 0.00 174.74 176.38 3knf n LYS 45 N 3.49 -0.04 -1.66 2.88 5.02 0.39 -0.87 118.16 127.37 3knf n LYS 45 Ca -0.12 0.23 -0.36 0.00 -2.02 0.00 0.00 58.31 56.04 3knf n LYS 45 Cb 0.52 -0.35 0.06 0.00 -0.02 0.00 0.00 35.03 35.24 3knf n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3knf n ASN 46 N -4.22 7.28 -4.68 4.39 3.02 -1.26 -4.81 115.26 114.97 3knf n ASN 46 Ca 0.01 -3.80 -0.40 0.00 -0.03 0.00 0.00 54.58 50.36 3knf n ASN 46 Cb 0.06 -0.94 -0.05 0.00 -0.61 0.00 0.00 39.78 38.24 3knf n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3knf s ASP 47 N -1.78 6.83 0.60 6.41 1.01 -0.05 -5.04 116.67 124.66 3knf s ASP 47 Ca 0.58 1.01 -0.07 0.00 0.71 0.00 0.00 52.55 54.79 3knf s ASP 47 Cb 0.47 -2.39 0.01 0.00 1.01 0.00 0.00 42.92 42.02 3knf s ASP 47 CO -0.17 -0.23 0.92 0.42 0.21 0.00 0.00 175.17 176.32 3knf s THR 48 N 1.54 3.71 -1.01 -1.27 -4.23 -1.26 -4.95 115.64 108.17 3knf s THR 48 Ca 0.33 0.09 0.10 0.00 -1.18 0.00 0.00 61.69 61.03 3knf s THR 48 Cb -0.16 -3.48 0.08 0.00 1.34 0.00 0.00 72.50 70.27 3knf s THR 48 CO 0.13 -0.52 1.31 1.87 -0.54 0.00 0.00 174.62 176.87 3knf n TRP 49 N -2.62 0.00 0.08 3.99 -0.00 -1.26 -1.61 117.44 116.02 3knf n TRP 49 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.45 3knf n TRP 49 Cb 0.57 -0.50 -0.02 0.00 -0.00 0.00 0.00 31.31 31.37 3knf n TRP 49 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3knf h GLU 50 N 0.00 0.23 -0.60 5.87 4.39 -1.98 -2.34 114.58 120.16 3knf h GLU 50 Ca 0.00 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.39 3knf h GLU 50 Cb 0.16 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3knf h GLU 50 CO 0.00 0.98 0.15 -0.44 -1.16 0.00 0.00 179.01 178.54 3knf h ASP 51 N 0.13 0.86 0.13 1.42 3.32 -1.68 -0.02 116.42 120.59 3knf h ASP 51 Ca -0.05 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3knf h ASP 51 Cb 1.52 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3knf h ASP 51 CO 0.14 0.84 -0.06 0.00 -1.72 0.00 0.00 179.24 178.44 3knf h ALA 52 N 1.27 -0.18 0.00 3.45 0.00 -1.49 -3.01 119.26 119.31 3knf h ALA 52 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3knf h ALA 52 Cb 0.31 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3knf h ALA 52 CO -0.00 -0.48 -0.01 -0.07 0.00 0.00 0.00 179.25 178.69 3knf h LEU 53 N -0.42 0.00 -0.36 0.00 3.38 -1.20 0.19 115.31 116.90 3knf h LEU 53 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3knf h LEU 53 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3knf h LEU 53 CO 0.03 0.01 -0.80 0.22 0.09 0.00 0.00 178.44 177.98 3knf h TYR 54 N 0.00 0.00 0.04 1.13 3.20 -0.87 -2.71 116.97 117.76 3knf h TYR 54 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3knf h TYR 54 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3knf h TYR 54 CO 0.00 0.80 -0.02 0.82 -1.64 0.00 0.00 178.16 178.12 3knf h ILE 55 N 0.00 1.21 -0.39 1.81 1.08 -0.58 -2.67 117.51 117.97 3knf h ILE 55 Ca -0.01 -1.69 0.06 0.00 -0.39 0.00 0.00 64.86 62.83 3knf h ILE 55 Cb 1.44 2.19 -0.06 0.00 -3.07 0.00 0.00 36.82 37.33 3knf h ILE 55 CO 0.10 0.38 0.05 0.40 -0.69 0.00 0.00 178.15 178.39 3knf h ILE 56 N -0.91 0.77 0.30 -0.67 5.03 -1.33 0.13 117.51 120.82 3knf h ILE 56 Ca -0.01 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 3knf h ILE 56 Cb 0.66 0.58 -0.03 0.00 -3.03 0.00 0.00 36.82 35.00 3knf h ILE 56 CO 0.01 0.03 -0.43 -0.09 -0.68 0.00 0.00 178.15 176.99 3knf h ARG 57 N 0.17 -0.75 -0.16 2.37 2.43 -1.58 -1.90 114.38 114.96 3knf h ARG 57 Ca 0.19 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 3knf h ARG 57 Cb 0.24 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3knf h ARG 57 CO -0.27 -0.50 -0.09 0.87 -1.51 0.00 0.00 179.97 178.47 3knf h LYS 58 N -0.78 -0.08 -0.57 0.20 1.79 -1.01 -1.15 116.57 114.97 3knf h LYS 58 Ca -0.02 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.62 3knf h LYS 58 Cb 0.73 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 3knf h LYS 58 CO -0.14 -0.05 0.41 0.00 -1.08 0.00 0.00 179.45 178.59 3knf n LEU 60 N -4.38 1.15 -0.45 0.00 4.77 -0.52 -4.36 117.00 113.20 3knf n LEU 60 Ca 0.11 0.32 0.06 0.00 -0.03 0.00 0.00 56.01 56.46 3knf n LEU 60 Cb 0.61 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 3knf n LEU 60 CO 0.37 0.50 0.41 0.59 -1.33 0.00 0.00 177.39 177.93 3knf n ASN 61 N -3.10 1.91 -4.67 -1.43 3.02 -0.68 -3.72 115.26 106.60 3knf n ASN 61 Ca -0.22 -1.45 -0.42 0.00 -0.03 0.00 0.00 54.58 52.45 3knf n ASN 61 Cb 1.06 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 40.25 3knf n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3knf s LEU 62 N -1.04 4.40 -0.70 3.41 1.43 -0.34 -4.68 118.68 121.16 3knf s LEU 62 Ca 0.13 2.57 -0.25 0.00 -1.03 0.00 0.00 54.13 55.55 3knf s LEU 62 Cb 0.10 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.82 3knf s LEU 62 CO 0.16 -1.00 1.14 -0.13 0.23 0.00 0.00 176.35 176.75 3knf s ARG 63 N 3.82 3.16 0.00 1.70 0.52 -1.25 -4.15 118.95 122.75 3knf s ARG 63 Ca 0.82 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 3knf s ARG 63 Cb -0.41 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 30.87 3knf s ARG 63 CO 0.37 -2.00 0.33 1.28 0.02 0.00 0.00 175.30 175.31 3knf n LEU 64 N 8.63 0.67 -4.88 2.53 4.77 0.12 -4.15 117.00 124.69 3knf n LEU 64 Ca 0.00 -0.80 -0.21 0.00 -0.03 0.00 0.00 56.01 54.97 3knf n LEU 64 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3knf n LEU 64 CO 0.68 0.16 -0.07 0.26 -1.33 0.00 0.00 177.39 177.09 3knf s TRP 65 N -0.48 3.00 0.35 -1.77 0.51 -1.02 -4.69 118.94 114.83 3knf s TRP 65 Ca 0.01 -0.24 0.07 0.00 -2.12 0.00 0.00 56.10 53.82 3knf s TRP 65 Cb 0.01 -1.75 -0.01 0.00 -0.81 0.00 0.00 33.47 30.90 3knf s TRP 65 CO 0.02 0.22 0.41 -0.80 -0.51 0.00 0.00 176.95 176.29 3knf s ASN 66 N -4.00 5.62 -0.40 2.95 -0.87 -1.26 0.37 114.94 117.36 3knf s ASN 66 Ca 0.40 -0.37 0.03 0.00 -1.57 0.00 0.00 52.86 51.35 3knf s ASN 66 Cb -0.07 -1.02 0.16 0.00 -0.02 0.00 0.00 41.25 40.30 3knf s ASN 66 CO 0.27 -0.46 0.34 0.20 -2.57 0.00 0.00 177.10 174.89 3knf s ASN 67 N -4.13 1.54 1.92 -1.22 0.01 -0.31 -4.84 114.94 107.92 3knf s ASN 67 Ca 0.45 -2.41 0.00 0.00 -0.71 0.00 0.00 52.86 50.19 3knf s ASN 67 Cb -0.08 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.56 3knf s ASN 67 CO 0.29 -0.22 0.00 0.47 -1.51 0.00 0.00 177.10 176.14 3knf n ASP 68 N 3.47 0.00 0.26 -1.22 9.92 -1.26 -1.19 116.55 126.53 3knf n ASP 68 Ca 0.20 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.60 3knf n ASP 68 Cb 0.45 0.00 0.67 0.00 -0.64 0.00 0.00 41.12 41.60 3knf n ASP 68 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3knf h ASN 69 N 0.00 0.00 -3.21 -2.24 -1.07 -2.04 -3.43 115.58 103.58 3knf h ASN 69 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.79 3knf h ASN 69 Cb 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.21 3knf h ASN 69 CO 0.00 0.11 -0.10 -0.54 0.07 0.00 0.00 177.43 176.97 3knf s LYS 70 N -3.86 4.03 0.18 4.14 1.02 -0.33 -5.09 119.74 119.82 3knf s LYS 70 Ca -0.01 0.54 0.11 0.00 0.02 0.00 0.00 55.97 56.63 3knf s LYS 70 Cb 0.11 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 3knf s LYS 70 CO 0.58 0.59 -0.21 0.95 -0.92 0.00 0.00 175.35 176.34 3knf s THR 71 N -1.25 2.57 -0.71 2.17 -4.23 -1.26 -1.16 115.64 111.77 3knf s THR 71 Ca 0.31 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 58.87 3knf s THR 71 Cb -0.17 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.45 3knf s THR 71 CO 0.18 -0.07 0.64 0.79 -0.54 0.00 0.00 174.62 175.61 3knf n TRP 72 N 0.33 -2.49 0.00 3.99 7.02 -1.16 -4.94 117.44 120.19 3knf n TRP 72 Ca -0.13 1.01 0.00 0.00 -1.02 0.00 0.00 57.50 57.36 3knf n TRP 72 Cb 0.55 -3.01 0.00 0.00 -2.42 0.00 0.00 31.31 26.43 3knf n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3knf n ASP 73 N -1.81 3.21 -4.71 -0.99 2.03 0.16 -4.82 116.55 109.62 3knf n ASP 73 Ca -0.17 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.90 3knf n ASP 73 Cb 0.63 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.97 3knf n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3knf s LYS 74 N -1.88 2.55 0.38 -0.67 -0.14 -1.11 -4.86 119.74 114.01 3knf s LYS 74 Ca 0.00 -1.21 0.08 0.00 -1.36 0.00 0.00 55.97 53.48 3knf s LYS 74 Cb 0.00 -2.36 -0.05 0.00 -1.68 0.00 0.00 37.83 33.74 3knf s LYS 74 CO 0.00 0.40 0.14 0.54 -0.76 0.00 0.00 175.35 175.67 3knf s ASN 75 N -3.54 4.44 0.46 2.83 2.20 -1.26 0.14 114.94 120.21 3knf s ASN 75 Ca 0.31 -0.99 0.25 0.00 -0.94 0.00 0.00 52.86 51.49 3knf s ASN 75 Cb -0.08 -0.55 1.28 0.00 -2.00 0.00 0.00 41.25 39.90 3knf s ASN 75 CO 0.21 -0.43 1.81 1.62 -2.94 0.00 0.00 177.10 177.37 3knf h VAL 76 N 1.53 0.52 0.16 3.54 3.04 -1.72 0.35 116.25 123.67 3knf h VAL 76 Ca -0.43 -0.08 -0.30 0.00 -1.01 0.00 0.00 66.70 64.88 3knf h VAL 76 Cb 1.25 0.26 0.02 0.00 -2.01 0.00 0.00 31.29 30.82 3knf h VAL 76 CO 0.68 0.04 -1.31 0.11 -1.01 0.00 0.00 177.57 176.08 3knf h LYS 77 N 0.23 0.46 -0.52 4.17 1.57 -1.86 0.44 116.57 121.06 3knf h LYS 77 Ca 0.54 -0.72 0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3knf h LYS 77 Cb 1.69 0.26 -0.10 0.00 0.08 0.00 0.00 32.23 34.15 3knf h LYS 77 CO -0.16 1.33 -0.19 -0.44 -0.57 0.00 0.00 179.45 179.42 3knf h ASP 78 N 0.16 -0.68 -0.42 0.86 3.32 -1.25 0.18 116.42 118.59 3knf h ASP 78 Ca -0.19 0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3knf h ASP 78 Cb 2.00 0.39 -0.05 0.00 0.22 0.00 0.00 39.33 41.90 3knf h ASP 78 CO 0.24 -0.22 0.11 0.18 -1.72 0.00 0.00 179.24 177.82 3knf n LEU 79 N -5.40 4.26 -3.42 1.55 4.77 -1.04 -4.89 117.00 112.83 3knf n LEU 79 Ca 0.05 -2.19 -0.22 0.00 -0.03 0.00 0.00 56.01 53.62 3knf n LEU 79 Cb 0.31 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3knf n LEU 79 CO 0.07 0.58 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.45 3knf n ASN 80 N 0.14 -2.62 -4.69 -1.43 4.05 0.05 -4.92 115.26 105.84 3knf n ASN 80 Ca 0.22 -0.37 -0.26 0.00 0.45 0.00 0.00 54.58 54.62 3knf n ASN 80 Cb 0.93 -2.23 0.10 0.00 1.23 0.00 0.00 39.78 39.81 3knf n ASN 80 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3knf s TYR 81 N -2.78 2.31 0.32 1.20 2.02 0.14 -5.02 117.35 115.54 3knf s TYR 81 Ca 0.40 0.24 0.07 0.00 -0.37 0.00 0.00 57.07 57.41 3knf s TYR 81 Cb -0.22 -3.35 -0.02 0.00 -0.40 0.00 0.00 41.96 37.96 3knf s TYR 81 CO 0.49 -1.75 0.36 -1.21 -1.57 0.00 0.00 175.55 171.87 3knf s GLU 82 N -5.36 2.98 -0.01 -0.62 2.02 -0.74 -4.76 118.70 112.21 3knf s GLU 82 Ca 0.65 -1.10 0.04 0.00 0.02 0.00 0.00 54.97 54.58 3knf s GLU 82 Cb -0.08 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 3knf s GLU 82 CO 0.46 0.15 -0.13 -0.51 0.02 0.00 0.00 175.26 175.26 3knf s LEU 83 N -4.05 1.99 -0.30 1.80 1.02 -0.20 -2.21 118.68 116.74 3knf s LEU 83 Ca 0.41 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.35 3knf s LEU 83 Cb -0.08 -0.68 0.08 0.00 0.02 0.00 0.00 46.19 45.53 3knf s LEU 83 CO 0.28 0.15 -0.03 -0.22 0.02 0.00 0.00 176.35 176.55 3knf s LEU 84 N -0.23 4.08 -0.07 1.79 2.96 -0.81 0.56 118.68 126.96 3knf s LEU 84 Ca 0.03 -1.75 -0.22 0.00 -0.22 0.00 0.00 54.13 51.97 3knf s LEU 84 Cb -0.06 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3knf s LEU 84 CO -0.00 -0.28 0.65 -0.63 -1.32 0.00 0.00 176.35 174.77 3knf s ILE 85 N 1.01 5.06 -0.04 6.68 1.09 0.11 -1.36 121.20 133.75 3knf s ILE 85 Ca 0.00 1.34 -0.02 0.00 -1.10 0.00 0.00 60.65 60.88 3knf s ILE 85 Cb -0.20 -3.99 0.03 0.00 -1.06 0.00 0.00 42.46 37.24 3knf s ILE 85 CO -0.06 0.28 0.06 -0.69 -0.10 0.00 0.00 174.94 174.42 3knf s VAL 86 N 0.70 -0.10 0.43 2.92 1.01 -0.23 -3.12 120.40 122.02 3knf s VAL 86 Ca 0.35 0.41 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 3knf s VAL 86 Cb -0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 36.38 35.96 3knf s VAL 86 CO 0.17 0.17 1.29 -0.55 0.00 0.00 0.00 175.10 176.18 3knf s SER 87 N 2.16 6.14 -0.38 3.32 0.15 -1.26 -0.72 113.70 123.12 3knf s SER 87 Ca 0.05 2.62 0.07 0.00 0.70 0.00 0.00 55.95 59.38 3knf s SER 87 Cb -0.12 -2.63 0.18 0.00 -1.71 0.00 0.00 66.02 61.74 3knf s SER 87 CO -0.03 -0.96 0.58 -1.58 1.20 0.00 0.00 173.24 172.45 3knf s GLN 88 N -2.41 0.73 0.47 5.44 2.00 0.31 -4.78 119.66 121.43 3knf s GLN 88 Ca 0.60 -0.15 0.26 0.00 -2.00 0.00 0.00 55.36 54.06 3knf s GLN 88 Cb -0.37 0.01 1.12 0.00 0.80 0.00 0.00 33.01 34.57 3knf s GLN 88 CO 0.47 -1.16 1.92 0.27 -0.50 0.00 0.00 175.29 176.29 3knf h PHE 89 N 7.26 0.00 0.00 1.67 -5.15 -1.95 -2.64 116.94 116.13 3knf h PHE 89 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 3knf h PHE 89 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.33 3knf h PHE 89 CO 0.20 0.19 0.12 0.25 -2.00 0.00 0.00 178.31 177.06 3knf n THR 90 N -3.46 1.27 0.46 0.88 -2.24 -1.26 0.70 114.28 110.63 3knf n THR 90 Ca -0.01 0.61 0.05 0.00 -2.27 0.00 0.00 64.05 62.43 3knf n THR 90 Cb 0.36 -1.61 0.24 0.00 -2.10 0.00 0.00 70.33 67.23 3knf n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3knf n LEU 91 N -1.74 0.00 -0.06 3.22 4.77 -0.99 -2.25 117.00 119.95 3knf n LEU 91 Ca -0.01 0.27 0.03 0.00 -0.03 0.00 0.00 56.01 56.27 3knf n LEU 91 Cb 0.13 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3knf n LEU 91 CO 0.03 -0.19 0.07 0.49 -1.33 0.00 0.00 177.39 176.47 3knf n PHE 92 N -1.27 0.00 -1.45 -1.77 3.72 0.22 -4.99 117.46 111.91 3knf n PHE 92 Ca 0.05 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.96 3knf n PHE 92 Cb 0.07 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.54 3knf n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3knf n GLY 93 N 0.96 0.34 3.63 1.37 0.00 -0.95 -4.57 105.19 105.97 3knf n GLY 93 Ca 0.02 0.93 -0.43 0.00 0.00 0.00 0.00 46.02 46.54 3knf n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3knf s ASN 94 N 7.94 6.79 -0.13 1.61 3.84 0.12 -4.53 114.94 130.58 3knf s ASN 94 Ca 1.11 0.93 0.16 0.00 0.21 0.00 0.00 52.86 55.27 3knf s ASN 94 Cb -0.85 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 37.91 3knf s ASN 94 CO 0.47 -1.03 1.52 0.35 -2.79 0.00 0.00 177.10 175.62 3knf n THR 95 N 6.22 1.93 0.04 -5.21 -2.24 -1.26 -0.57 114.28 113.18 3knf n THR 95 Ca 0.13 -1.38 -0.13 0.00 -2.27 0.00 0.00 64.05 60.39 3knf n THR 95 Cb 0.47 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 3knf n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3knf h LYS 96 N 3.05 0.51 -2.33 -0.78 1.57 -1.96 -3.32 116.57 113.31 3knf h LYS 96 Ca 0.00 -0.45 -0.73 0.00 -1.87 0.00 0.00 60.65 57.59 3knf h LYS 96 Cb 1.38 0.10 -0.32 0.00 0.08 0.00 0.00 32.23 33.47 3knf h LYS 96 CO 0.22 1.09 0.43 1.63 -0.57 0.00 0.00 179.45 182.24 3knf n LYS 97 N -3.84 4.54 0.00 3.15 5.02 -1.26 -5.03 118.16 120.74 3knf n LYS 97 Ca -0.06 -4.72 0.00 0.00 -2.02 0.00 0.00 58.31 51.51 3knf n LYS 97 Cb 0.75 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3knf n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knf n GLY 98 N 0.08 -1.57 0.24 0.72 0.00 -1.25 -4.77 105.19 98.64 3knf n GLY 98 Ca 0.39 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 44.32 3knf n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knf n ASN 99 N 0.00 0.99 -4.27 1.61 3.02 -1.26 -4.71 115.26 110.64 3knf n ASN 99 Ca 0.00 -0.88 -0.44 0.00 -0.03 0.00 0.00 54.58 53.23 3knf n ASN 99 Cb 0.00 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 3knf n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3knf s LYS 100 N -2.49 3.01 0.34 3.52 3.01 -1.26 -5.03 119.74 120.84 3knf s LYS 100 Ca 0.25 -2.05 -0.21 0.00 -1.01 0.00 0.00 55.97 52.94 3knf s LYS 100 Cb 0.19 -4.19 -0.15 0.00 -1.01 0.00 0.00 37.83 32.68 3knf s LYS 100 CO 0.51 -1.27 0.16 -2.30 0.51 0.00 0.00 175.35 172.97 3knf n PRO 101 N 4.57 0.00 -3.85 -1.68 -0.02 -1.26 -4.94 135.00 127.82 3knf n PRO 101 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.13 3knf n PRO 101 Cb 0.42 -0.94 -0.12 0.00 -0.02 0.00 0.00 33.50 32.84 3knf n PRO 101 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3knf s ASP 102 N -0.94 4.82 -0.36 2.55 2.15 0.26 -4.75 116.67 120.41 3knf s ASP 102 Ca 0.57 -2.78 -0.06 0.00 0.43 0.00 0.00 52.55 50.70 3knf s ASP 102 Cb -0.66 -1.74 -0.19 0.00 -0.30 0.00 0.00 42.92 40.03 3knf s ASP 102 CO 0.58 -0.33 3.01 0.49 -0.17 0.00 0.00 175.17 178.75 3knf n PHE 103 N 3.50 0.53 0.07 -5.34 3.72 -1.26 -0.70 117.46 117.98 3knf n PHE 103 Ca 0.05 -1.63 0.07 0.00 -0.05 0.00 0.00 57.45 55.89 3knf n PHE 103 Cb 0.36 -1.61 -0.04 0.00 -0.94 0.00 0.00 39.48 37.25 3knf n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3knf n HIS 104 N 2.90 0.97 1.09 1.38 8.25 -1.26 -3.91 115.22 124.63 3knf n HIS 104 Ca 0.44 0.30 0.12 0.00 -0.26 0.00 0.00 57.72 58.32 3knf n HIS 104 Cb 0.62 -1.01 0.30 0.00 1.12 0.00 0.00 29.99 31.02 3knf n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3knf n LEU 105 N -2.76 0.66 -4.63 2.41 4.77 -1.26 -4.89 117.00 111.29 3knf n LEU 105 Ca -0.04 -0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 3knf n LEU 105 Cb 0.67 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3knf n LEU 105 CO 0.41 0.14 0.94 0.00 -1.33 0.00 0.00 177.39 177.55 3knf s ALA 106 N -2.83 3.49 0.25 -1.18 0.00 -1.25 -0.46 121.76 119.78 3knf s ALA 106 Ca 0.16 -0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.73 3knf s ALA 106 Cb 0.18 -3.66 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 3knf s ALA 106 CO 0.63 -1.50 0.85 1.17 0.00 0.00 0.00 175.76 176.91 3knf n LYS 107 N 6.86 0.88 -1.59 0.00 4.81 -0.58 -4.66 118.16 123.88 3knf n LYS 107 Ca 0.11 0.31 -0.40 0.00 -0.87 0.00 0.00 58.31 57.47 3knf n LYS 107 Cb 0.47 -1.56 0.03 0.00 0.02 0.00 0.00 35.03 33.99 3knf n LYS 107 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3knf n GLU 108 N 0.85 1.06 0.11 1.64 1.02 -1.26 -4.65 120.64 119.41 3knf n GLU 108 Ca 0.13 0.39 -0.12 0.00 -0.02 0.00 0.00 57.16 57.54 3knf n GLU 108 Cb 0.29 -2.01 -0.06 0.00 -0.02 0.00 0.00 31.44 29.64 3knf n GLU 108 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3knf h PRO 109 N 1.00 -0.37 -0.83 3.49 0.11 -1.97 0.34 132.00 133.77 3knf h PRO 109 Ca -0.46 0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.81 3knf h PRO 109 Cb 1.36 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.46 3knf h PRO 109 CO 0.53 -0.25 0.43 -0.91 -0.21 0.00 0.00 178.00 177.60 3knf h ASN 110 N -0.39 0.54 -0.03 -2.05 2.35 -2.00 0.78 115.58 114.80 3knf h ASN 110 Ca 0.03 0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 3knf h ASN 110 Cb 0.41 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.78 3knf h ASN 110 CO -0.11 0.25 -0.46 -0.33 -1.65 0.00 0.00 177.43 175.13 3knf h GLU 111 N 0.65 0.36 -0.52 0.81 3.07 -1.90 -3.24 114.58 113.81 3knf h GLU 111 Ca 0.44 -0.35 0.06 0.00 -0.50 0.00 0.00 59.36 59.01 3knf h GLU 111 Cb 0.57 0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.52 3knf h GLU 111 CO -0.33 1.02 0.22 0.00 -1.40 0.00 0.00 179.01 178.52 3knf h ALA 112 N 0.35 0.66 -0.82 3.43 0.00 0.76 0.00 119.26 123.64 3knf h ALA 112 Ca -0.05 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.08 3knf h ALA 112 Cb 1.16 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 3knf h ALA 112 CO 0.09 -0.16 0.36 1.25 0.00 0.00 0.00 179.25 180.79 3knf h LEU 113 N 0.43 0.35 -0.15 0.00 5.85 0.49 0.65 115.31 122.91 3knf h LEU 113 Ca 0.24 0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.92 3knf h LEU 113 Cb 0.22 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3knf h LEU 113 CO -0.22 0.10 -0.79 -0.29 -0.34 0.00 0.00 178.44 176.90 3knf h ILE 114 N 0.47 1.42 -0.41 4.05 -0.00 -1.38 -1.40 117.51 120.27 3knf h ILE 114 Ca 0.47 -2.85 -0.09 0.00 -0.00 0.00 0.00 64.86 62.39 3knf h ILE 114 Cb 0.77 2.60 -0.01 0.00 -0.00 0.00 0.00 36.82 40.18 3knf h ILE 114 CO -0.44 0.78 -0.11 0.15 -0.00 0.00 0.00 178.15 178.53 3knf h PHE 115 N 0.00 0.89 -0.43 2.19 3.57 0.90 -1.79 116.94 122.28 3knf h PHE 115 Ca -0.01 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.25 3knf h PHE 115 Cb 1.54 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 3knf h PHE 115 CO 0.00 0.92 0.09 -0.92 -2.23 0.00 0.00 178.31 176.17 3knf h TYR 116 N 0.61 0.74 0.00 0.41 3.20 0.25 -1.07 116.97 121.10 3knf h TYR 116 Ca 0.10 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3knf h TYR 116 Cb 0.64 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3knf h TYR 116 CO 0.05 0.70 -0.24 -0.91 -1.64 0.00 0.00 178.16 176.12 3knf h ASN 117 N 0.57 0.00 -0.05 -2.11 2.35 -1.21 0.51 115.58 115.64 3knf h ASN 117 Ca 0.13 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.74 3knf h ASN 117 Cb 0.34 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.72 3knf h ASN 117 CO 0.00 0.24 -0.53 0.50 -1.65 0.00 0.00 177.43 176.00 3knf h LYS 118 N 0.00 0.44 0.02 0.81 3.64 -0.82 -2.15 116.57 118.51 3knf h LYS 118 Ca -0.00 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 58.98 3knf h LYS 118 Cb 0.58 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 3knf h LYS 118 CO 0.03 1.06 -0.44 0.82 -2.27 0.00 0.00 179.45 178.66 3knf h ILE 119 N -0.02 0.00 -1.01 2.00 5.03 -0.73 0.28 117.51 123.06 3knf h ILE 119 Ca -0.05 0.00 0.23 0.00 -0.12 0.00 0.00 64.86 64.92 3knf h ILE 119 Cb 1.21 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.89 3knf h ILE 119 CO 0.11 0.00 0.62 0.40 -0.68 0.00 0.00 178.15 178.60 3knf h ILE 120 N -0.56 0.59 0.00 -0.67 1.08 -0.93 0.86 117.51 117.88 3knf h ILE 120 Ca 0.01 -0.20 -0.12 0.00 -0.39 0.00 0.00 64.86 64.16 3knf h ILE 120 Cb 0.59 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 3knf h ILE 120 CO -0.28 0.10 -0.59 0.44 -0.69 0.00 0.00 178.15 177.13 3knf h ASP 121 N 0.57 0.00 0.13 1.72 3.32 -0.66 -1.49 116.42 120.01 3knf h ASP 121 Ca 0.60 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.37 3knf h ASP 121 Cb 1.21 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.78 3knf h ASP 121 CO -0.39 0.59 -1.19 -0.08 -1.72 0.00 0.00 179.24 176.46 3knf h GLU 122 N 0.00 0.62 -0.37 3.56 4.57 0.21 -1.71 114.58 121.45 3knf h GLU 122 Ca -0.01 -0.79 0.07 0.00 -1.18 0.00 0.00 59.36 57.46 3knf h GLU 122 Cb 1.07 0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 29.84 3knf h GLU 122 CO 0.08 1.35 -0.05 0.74 -1.18 0.00 0.00 179.01 179.94 3knf h PHE 123 N 0.30 -0.12 0.38 0.92 0.04 0.59 0.13 116.94 119.18 3knf h PHE 123 Ca -0.17 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 3knf h PHE 123 Cb 1.85 0.11 0.00 0.00 2.20 0.00 0.00 35.95 40.12 3knf h PHE 123 CO 0.11 -0.12 -0.18 0.87 -0.60 0.00 0.00 178.31 178.38 3knf h LYS 124 N 0.04 -0.49 -0.83 1.51 1.57 -1.19 -1.83 116.57 115.35 3knf h LYS 124 Ca 0.18 0.03 0.20 0.00 -1.87 0.00 0.00 60.65 59.19 3knf h LYS 124 Cb 0.27 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 32.54 3knf h LYS 124 CO -0.35 -0.20 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.10 3knf h LYS 125 N -0.75 0.07 0.27 3.15 3.64 -1.00 -2.05 116.57 119.90 3knf h LYS 125 Ca -0.05 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3knf h LYS 125 Cb 0.51 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3knf h LYS 125 CO 0.09 0.05 -0.13 1.96 -2.27 0.00 0.00 179.45 179.14 3knf h GLN 126 N 0.07 -0.34 0.00 1.90 4.20 -0.48 -3.43 115.11 117.03 3knf h GLN 126 Ca 0.47 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.20 3knf h GLN 126 Cb 0.85 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3knf h GLN 126 CO -0.76 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 178.38 3knf n TYR 127 N -5.07 0.00 -3.60 2.96 4.19 -0.71 -5.11 117.16 109.82 3knf n TYR 127 Ca -0.09 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.04 3knf n TYR 127 Cb 0.26 -0.07 -0.05 0.00 0.49 0.00 0.00 39.34 39.97 3knf n TYR 127 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3knf s ASN 128 N -1.61 -0.27 0.12 2.98 3.84 -0.80 -5.05 114.94 114.15 3knf s ASN 128 Ca 0.00 0.31 -0.25 0.00 0.21 0.00 0.00 52.86 53.13 3knf s ASN 128 Cb 0.00 0.25 -0.07 0.00 -0.55 0.00 0.00 41.25 40.88 3knf s ASN 128 CO 0.00 -0.23 1.66 -0.78 -2.79 0.00 0.00 177.10 174.96 3knf h ASP 129 N 2.52 -0.56 0.92 -4.21 3.58 -1.93 -3.08 116.42 113.66 3knf h ASP 129 Ca -0.16 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 3knf h ASP 129 Cb 1.17 0.23 -0.00 0.00 1.72 0.00 0.00 39.33 42.45 3knf h ASP 129 CO 0.27 -0.26 -0.14 0.44 -2.88 0.00 0.00 179.24 176.67 3knf h ASP 130 N -0.32 0.00 -0.12 2.28 3.45 -1.97 -3.23 116.42 116.51 3knf h ASP 130 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3knf h ASP 130 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3knf h ASP 130 CO -0.17 0.14 0.00 0.29 -1.57 0.00 0.00 179.24 177.94 3knf n LYS 131 N -3.31 1.64 -4.46 3.56 4.76 -1.17 -4.84 118.16 114.35 3knf n LYS 131 Ca 0.00 -0.95 -0.29 0.00 -2.87 0.00 0.00 58.31 54.20 3knf n LYS 131 Cb 0.37 -1.41 -0.17 0.00 -1.84 0.00 0.00 35.03 31.99 3knf n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3knf s ILE 132 N -1.85 1.54 -0.01 -0.18 1.01 -1.22 -1.03 121.20 119.45 3knf s ILE 132 Ca 0.33 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3knf s ILE 132 Cb 0.18 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 3knf s ILE 132 CO 0.28 0.45 -0.15 -0.54 0.00 0.00 0.00 174.94 174.98 3knf s LYS 133 N 0.99 1.25 0.43 2.79 1.02 0.19 -4.98 119.74 121.44 3knf s LYS 133 Ca -0.06 -0.54 0.06 0.00 0.02 0.00 0.00 55.97 55.45 3knf s LYS 133 Cb -0.15 -1.20 -0.05 0.00 -0.52 0.00 0.00 37.83 35.91 3knf s LYS 133 CO -0.02 0.32 0.14 0.96 -0.92 0.00 0.00 175.35 175.82 3knf s ILE 134 N -0.32 2.05 0.00 2.17 -5.25 -1.26 0.08 121.20 118.67 3knf s ILE 134 Ca 0.05 -1.79 0.00 0.00 -0.99 0.00 0.00 60.65 57.92 3knf s ILE 134 Cb -0.06 -2.83 0.00 0.00 2.95 0.00 0.00 42.46 42.51 3knf s ILE 134 CO -0.00 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.76 3knf n GLY 135 N -1.22 1.31 3.50 6.27 0.00 -1.18 -4.76 105.19 109.11 3knf n GLY 135 Ca -0.04 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 3knf n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knf s LYS 136 N 1.09 3.26 0.16 1.61 2.20 -1.26 -5.07 119.74 121.73 3knf s LYS 136 Ca 0.00 -0.69 -0.34 0.00 -0.36 0.00 0.00 55.97 54.58 3knf s LYS 136 Cb 0.00 -3.90 -0.14 0.00 -1.51 0.00 0.00 37.83 32.28 3knf s LYS 136 CO 0.00 -0.69 1.58 0.34 -0.36 0.00 0.00 175.35 176.22 3knf n PHE 137 N 5.39 2.26 -1.66 4.03 7.35 -1.26 -2.31 117.46 131.26 3knf n PHE 137 Ca -0.09 0.27 -0.20 0.00 -0.76 0.00 0.00 57.45 56.67 3knf n PHE 137 Cb 0.48 -2.54 -0.08 0.00 0.35 0.00 0.00 39.48 37.69 3knf n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3knf n GLY 138 N 3.40 1.75 3.69 7.13 0.00 -1.26 -5.00 105.19 114.90 3knf n GLY 138 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3knf n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3knf s ASN 139 N -2.68 4.70 0.07 1.61 0.01 -0.98 -5.10 114.94 112.57 3knf s ASN 139 Ca 0.00 -0.63 -0.30 0.00 -0.71 0.00 0.00 52.86 51.22 3knf s ASN 139 Cb 0.00 -0.88 -0.05 0.00 0.41 0.00 0.00 41.25 40.72 3knf s ASN 139 CO 0.00 -0.08 1.12 -0.47 -1.51 0.00 0.00 177.10 176.16 3knf s TYR 140 N -2.33 3.54 0.13 2.20 5.04 -1.26 -4.91 117.35 119.76 3knf s TYR 140 Ca 0.33 1.48 0.09 0.00 -2.44 0.00 0.00 57.07 56.53 3knf s TYR 140 Cb -0.06 -3.30 -0.04 0.00 0.35 0.00 0.00 41.96 38.91 3knf s TYR 140 CO 0.21 -0.77 -0.22 -1.64 -1.34 0.00 0.00 175.55 171.80 3knf s MET 141 N 0.70 1.25 -0.22 4.97 -1.94 -1.26 -4.42 119.30 118.38 3knf s MET 141 Ca 0.55 -1.29 -0.05 0.00 -1.71 0.00 0.00 55.69 53.18 3knf s MET 141 Cb -0.27 -1.51 -0.02 0.00 2.01 0.00 0.00 34.83 35.04 3knf s MET 141 CO 0.30 0.34 -0.01 1.21 -0.01 0.00 0.00 175.02 176.85 3knf s ASN 142 N -2.21 4.67 -0.25 3.03 2.47 -0.89 -4.98 114.94 116.78 3knf s ASN 142 Ca 0.12 -0.28 0.02 0.00 0.42 0.00 0.00 52.86 53.14 3knf s ASN 142 Cb -0.09 -1.81 0.06 0.00 -1.45 0.00 0.00 41.25 37.97 3knf s ASN 142 CO 0.06 0.02 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.73 3knf s ILE 143 N 1.28 1.93 -0.29 -5.21 1.09 -1.26 -0.16 121.20 118.57 3knf s ILE 143 Ca 0.04 -1.47 -0.29 0.00 -1.10 0.00 0.00 60.65 57.82 3knf s ILE 143 Cb -0.15 -2.09 0.01 0.00 -1.06 0.00 0.00 42.46 39.18 3knf s ILE 143 CO 0.00 -0.05 1.06 -1.81 -0.10 0.00 0.00 174.94 174.04 3knf s ASP 144 N 1.21 6.99 -0.14 3.58 1.01 -0.26 -4.96 116.67 124.10 3knf s ASP 144 Ca -0.08 1.16 0.02 0.00 0.71 0.00 0.00 52.55 54.36 3knf s ASP 144 Cb -0.19 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.20 3knf s ASP 144 CO -0.06 -0.81 -0.20 -0.69 0.21 0.00 0.00 175.17 173.62 3knf s VAL 145 N 3.49 2.20 -0.97 -1.27 1.01 -1.26 -1.28 120.40 122.32 3knf s VAL 145 Ca 0.45 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 3knf s VAL 145 Cb -0.13 -1.89 0.15 0.00 0.00 0.00 0.00 36.38 34.51 3knf s VAL 145 CO 0.12 0.54 1.14 -0.89 0.00 0.00 0.00 175.10 176.01 3knf s THR 146 N 0.82 4.90 -0.23 3.92 2.01 -0.52 -5.01 115.64 121.53 3knf s THR 146 Ca -0.07 -1.89 -0.29 0.00 0.31 0.00 0.00 61.69 59.76 3knf s THR 146 Cb -0.15 -4.76 -0.03 0.00 0.01 0.00 0.00 72.50 67.56 3knf s THR 146 CO -0.02 -1.47 1.67 0.20 -0.69 0.00 0.00 174.62 174.32 3knf s ASN 147 N 3.29 6.28 -0.72 3.53 0.01 -1.26 -0.67 114.94 125.40 3knf s ASN 147 Ca 0.33 1.62 -0.15 0.00 -0.71 0.00 0.00 52.86 53.94 3knf s ASN 147 Cb -0.05 -2.53 0.18 0.00 0.41 0.00 0.00 41.25 39.26 3knf s ASN 147 CO -0.08 -1.34 0.67 -0.62 -1.51 0.00 0.00 177.10 174.22 3knf s ASP 148 N 4.64 6.53 0.00 -1.22 2.15 1.00 -4.60 116.67 125.17 3knf s ASP 148 Ca 0.74 -2.31 0.00 0.00 0.43 0.00 0.00 52.55 51.41 3knf s ASP 148 Cb -0.25 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 3knf s ASP 148 CO 0.31 -0.70 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 3knf n GLY 149 N 4.51 0.31 3.86 2.66 0.00 -1.26 -4.00 105.19 111.27 3knf n GLY 149 Ca 0.03 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3knf n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knf s PRO 150 N 0.00 3.65 -0.25 1.61 0.04 -1.26 -5.15 135.00 133.64 3knf s PRO 150 Ca 0.00 0.84 0.01 0.00 0.04 0.00 0.00 61.00 61.89 3knf s PRO 150 Cb 0.00 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.52 3knf s PRO 150 CO 0.00 -0.52 -0.02 0.08 0.04 0.00 0.00 177.00 176.58 3knf s VAL 151 N -2.98 1.48 -0.15 -0.36 1.01 -1.26 -5.00 120.40 113.15 3knf s VAL 151 Ca 0.57 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3knf s VAL 151 Cb -0.11 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3knf s VAL 151 CO 0.47 -0.22 -0.08 -0.89 0.00 0.00 0.00 175.10 174.37 3knf s THR 152 N 1.39 3.44 0.17 3.92 2.01 -1.26 -0.65 115.64 124.66 3knf s THR 152 Ca -0.02 -0.52 0.10 0.00 0.31 0.00 0.00 61.69 61.56 3knf s THR 152 Cb -0.19 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 3knf s THR 152 CO -0.09 0.50 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.51 3knf s ILE 153 N 0.44 2.58 -0.11 1.82 -1.09 0.15 -4.95 121.20 120.03 3knf s ILE 153 Ca -0.07 -1.82 -0.04 0.00 -2.23 0.00 0.00 60.65 56.50 3knf s ILE 153 Cb -0.15 -2.22 0.05 0.00 -1.58 0.00 0.00 42.46 38.55 3knf s ILE 153 CO 0.04 -0.04 0.08 -0.47 -1.23 0.00 0.00 174.94 173.32 3knf s TYR 154 N -1.47 0.11 -0.06 3.97 5.04 -1.26 -0.53 117.35 123.15 3knf s TYR 154 Ca 0.20 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.82 3knf s TYR 154 Cb -0.09 -0.58 -0.03 0.00 0.35 0.00 0.00 41.96 41.61 3knf s TYR 154 CO 0.10 -0.37 -0.10 0.42 -1.34 0.00 0.00 175.55 174.26 3knf s ILE 155 N 2.16 3.39 -0.32 3.14 -1.09 -0.94 -4.99 121.20 122.55 3knf s ILE 155 Ca 0.03 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 3knf s ILE 155 Cb -0.14 -2.36 0.10 0.00 -1.58 0.00 0.00 42.46 38.48 3knf s ILE 155 CO -0.06 0.59 0.08 -0.62 -1.23 0.00 0.00 174.94 173.70 3knf s ASP 156 N -0.73 4.27 0.36 3.58 -1.08 -1.26 -0.88 116.67 120.94 3knf s ASP 156 Ca 0.11 -1.81 0.12 0.00 -0.52 0.00 0.00 52.55 50.46 3knf s ASP 156 Cb -0.11 -1.11 0.92 0.00 -1.46 0.00 0.00 42.92 41.17 3knf s ASP 156 CO 0.01 -0.40 1.82 0.71 0.52 0.00 0.00 175.17 177.82 3knf h THR 157 N 6.53 0.69 0.00 1.71 1.35 -1.35 0.92 112.91 122.76 3knf h THR 157 Ca -0.11 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3knf h THR 157 Cb 1.02 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3knf h THR 157 CO 0.49 0.11 0.00 1.41 -0.25 0.00 0.00 175.52 177.27 3knf n HIS 158 N -4.62 0.00 -0.10 4.73 8.25 -1.26 0.67 115.22 122.88 3knf n HIS 158 Ca 0.21 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.74 3knf n HIS 158 Cb 0.65 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.92 3knf n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3knf n ASP 159 N -0.70 2.95 -4.23 0.41 8.00 0.32 -5.01 116.55 118.28 3knf n ASP 159 Ca 0.00 -1.93 -0.17 0.00 0.71 0.00 0.00 54.79 53.40 3knf n ASP 159 Cb 0.00 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 3knf n ASP 159 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3knf s ILE 160 N -1.01 0.46 -2.15 0.53 -1.09 0.21 -5.10 121.20 113.05 3knf s ILE 160 Ca 0.26 -2.00 0.17 0.00 -2.23 0.00 0.00 60.65 56.85 3knf s ILE 160 Cb 0.14 -2.59 0.14 0.00 -1.58 0.00 0.00 42.46 38.56 3knf s ILE 160 CO 0.18 0.00 1.04 0.59 -1.23 0.00 0.00 174.94 175.53