#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 2.75 0.01 2.12 0.52 0.25 -2.20 118.95 122.41 3knf s ARG 2 Ca 0.00 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.46 3knf s ARG 2 Cb 0.00 -2.66 -0.00 0.00 0.52 0.00 0.00 34.95 32.81 3knf s ARG 2 CO 0.00 0.59 0.11 0.54 0.02 0.00 0.00 175.30 176.56 3knf s VAL 3 N -1.23 0.10 -0.29 3.52 0.11 -0.62 0.15 120.40 122.14 3knf s VAL 3 Ca 0.24 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 3knf s VAL 3 Cb -0.12 -0.52 0.08 0.00 -1.53 0.00 0.00 36.38 34.30 3knf s VAL 3 CO 0.16 -0.44 0.01 -0.69 -3.33 0.00 0.00 175.10 170.81 3knf s VAL 4 N -1.68 1.73 -0.17 2.04 1.01 -1.13 -2.69 120.40 119.51 3knf s VAL 4 Ca -0.13 -1.73 -0.24 0.00 0.00 0.00 0.00 61.98 59.89 3knf s VAL 4 Cb -0.06 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3knf s VAL 4 CO -0.00 -0.41 0.76 -0.63 0.00 0.00 0.00 175.10 174.81 3knf s ILE 5 N 1.23 4.94 -0.03 2.22 -1.09 -0.44 -2.46 121.20 125.57 3knf s ILE 5 Ca 0.04 1.47 0.06 0.00 -2.23 0.00 0.00 60.65 59.99 3knf s ILE 5 Cb -0.19 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3knf s ILE 5 CO -0.11 0.07 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.35 3knf s GLN 6 N 1.95 2.06 0.01 2.79 -0.21 -0.76 -0.73 119.66 124.76 3knf s GLN 6 Ca 0.35 -0.81 -0.26 0.00 0.02 0.00 0.00 55.36 54.66 3knf s GLN 6 Cb -0.16 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3knf s GLN 6 CO 0.12 0.42 0.83 0.50 -2.12 0.00 0.00 175.29 175.04 3knf s ARG 7 N -0.33 4.52 0.01 2.91 3.52 -1.01 -1.90 118.95 126.66 3knf s ARG 7 Ca 0.03 1.15 0.01 0.00 -0.13 0.00 0.00 55.73 56.78 3knf s ARG 7 Cb -0.11 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 3knf s ARG 7 CO 0.01 0.12 -0.03 0.14 -0.81 0.00 0.00 175.30 174.73 3knf s VAL 8 N 0.51 0.22 -0.01 7.11 -7.23 0.70 -1.95 120.40 119.74 3knf s VAL 8 Ca 0.43 -0.31 0.32 0.00 -1.81 0.00 0.00 61.98 60.61 3knf s VAL 8 Cb -0.20 -0.23 0.37 0.00 0.56 0.00 0.00 36.38 36.88 3knf s VAL 8 CO 0.24 -0.06 1.93 0.11 -0.31 0.00 0.00 175.10 177.01 3knf h LYS 9 N 5.74 0.00 0.00 4.82 1.79 -1.42 0.85 116.57 128.35 3knf h LYS 9 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3knf h LYS 9 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3knf h LYS 9 CO 0.48 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.26 3knf n GLY 10 N 0.06 0.35 3.40 3.86 0.00 -1.04 -2.19 105.19 109.63 3knf n GLY 10 Ca 0.01 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.45 -0.34 4.61 0.00 0.27 -2.21 121.76 120.65 3knf s ALA 11 Ca 0.00 1.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 3knf s ALA 11 Cb 0.00 -1.42 0.07 0.00 0.00 0.00 0.00 23.12 21.77 3knf s ALA 11 CO 0.00 -0.73 0.07 0.42 0.00 0.00 0.00 175.76 175.51 3knf s ILE 12 N 2.51 3.02 -0.25 0.00 1.09 0.19 -0.79 121.20 126.96 3knf s ILE 12 Ca -0.04 -1.68 -0.14 0.00 -1.10 0.00 0.00 60.65 57.69 3knf s ILE 12 Cb -0.11 -2.88 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 3knf s ILE 12 CO -0.15 -0.34 0.31 -0.22 -0.10 0.00 0.00 174.94 174.45 3knf s LEU 13 N 1.19 4.07 0.18 2.97 0.20 0.41 0.00 118.68 127.70 3knf s LEU 13 Ca 0.00 0.26 0.09 0.00 0.69 0.00 0.00 54.13 55.17 3knf s LEU 13 Cb -0.21 -2.34 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 3knf s LEU 13 CO -0.03 -0.10 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.31 3knf s SER 14 N 1.44 2.88 0.42 3.68 0.01 0.04 -1.55 113.70 120.61 3knf s SER 14 Ca 0.13 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.53 3knf s SER 14 Cb -0.15 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 3knf s SER 14 CO 0.09 -0.02 0.06 0.68 0.41 0.00 0.00 173.24 174.46 3knf s VAL 15 N -2.12 1.09 0.21 3.43 -7.23 0.73 -0.47 120.40 116.05 3knf s VAL 15 Ca 0.19 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.17 3knf s VAL 15 Cb -0.06 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.31 3knf s VAL 15 CO 0.08 0.00 0.69 -0.13 -0.31 0.00 0.00 175.10 175.43 3knf s ARG 16 N -3.80 4.20 -0.14 4.82 0.52 -1.26 0.16 118.95 123.45 3knf s ARG 16 Ca 0.23 0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 56.14 3knf s ARG 16 Cb 0.05 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 3knf s ARG 16 CO 0.12 0.41 -0.20 1.63 0.02 0.00 0.00 175.30 177.28 3knf n LYS 17 N 0.76 0.43 -0.01 3.54 5.02 -1.26 -4.79 118.16 121.84 3knf n LYS 17 Ca -0.03 0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 56.60 3knf n LYS 17 Cb 0.51 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3knf n LYS 17 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3knf h GLU 26 N -0.91 -0.31 -5.64 1.97 4.39 -2.09 -3.51 114.58 108.48 3knf h GLU 26 Ca 0.00 0.02 -0.46 0.00 0.34 0.00 0.00 59.36 59.26 3knf h GLU 26 Cb 0.57 0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 29.12 3knf h GLU 26 CO 0.00 -0.21 -0.77 -0.48 -1.16 0.00 0.00 179.01 176.40 3knf s LEU 27 N -8.11 2.43 0.04 1.33 2.34 -1.26 -5.09 118.68 110.36 3knf s LEU 27 Ca -0.09 -0.85 0.06 0.00 0.06 0.00 0.00 54.13 53.31 3knf s LEU 27 Cb 0.04 -0.67 -0.03 0.00 -0.56 0.00 0.00 46.19 44.97 3knf s LEU 27 CO 0.35 -0.10 -0.12 -1.83 -1.06 0.00 0.00 176.35 173.59 3knf s GLU 28 N -2.81 2.26 0.47 1.48 -1.05 0.42 -4.90 118.70 114.57 3knf s GLU 28 Ca 0.13 -0.89 -0.22 0.00 -0.15 0.00 0.00 54.97 53.83 3knf s GLU 28 Cb -0.05 -2.33 -0.07 0.00 -0.44 0.00 0.00 34.13 31.24 3knf s GLU 28 CO 0.05 0.56 1.15 0.42 0.95 0.00 0.00 175.26 178.38 3knf s ILE 29 N -1.01 3.16 0.00 1.83 1.09 -1.26 -0.19 121.20 124.82 3knf s ILE 29 Ca 0.17 0.84 0.00 0.00 -1.10 0.00 0.00 60.65 60.56 3knf s ILE 29 Cb -0.11 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.88 3knf s ILE 29 CO 0.08 -0.04 0.00 2.30 -0.10 0.00 0.00 174.94 177.18 3knf n ILE 30 N -0.61 0.00 -3.66 2.92 -5.35 -0.60 -4.85 119.36 107.21 3knf n ILE 30 Ca 0.08 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.47 3knf n ILE 30 Cb 0.49 0.77 -0.08 0.00 -1.74 0.00 0.00 39.64 39.07 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 0.00 -0.80 0.07 7.28 0.01 -1.04 -5.03 113.70 114.20 3knf s SER 31 Ca 0.00 1.32 0.05 0.00 1.31 0.00 0.00 55.95 58.63 3knf s SER 31 Cb 0.00 1.21 -0.03 0.00 0.21 0.00 0.00 66.02 67.41 3knf s SER 31 CO 0.00 -0.22 -0.13 -1.61 0.41 0.00 0.00 173.24 171.68 3knf s GLU 32 N 1.40 0.79 0.05 12.44 2.02 -1.26 -0.45 118.70 133.69 3knf s GLU 32 Ca -0.09 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 53.97 3knf s GLU 32 Cb -0.06 -0.76 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 3knf s GLU 32 CO -0.15 0.16 -0.05 0.96 0.02 0.00 0.00 175.26 176.20 3knf s ILE 33 N -1.33 0.36 0.00 -1.63 -4.36 0.03 -4.96 121.20 109.31 3knf s ILE 33 Ca -0.03 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3knf s ILE 33 Cb -0.10 -0.98 0.00 0.00 1.25 0.00 0.00 42.46 42.63 3knf s ILE 33 CO 0.02 -0.69 0.00 0.29 0.24 0.00 0.00 174.94 174.80 3knf n LYS 34 N 0.82 0.43 -2.29 0.37 4.76 -1.26 -0.56 118.16 120.42 3knf n LYS 34 Ca -0.19 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.85 3knf n LYS 34 Cb 0.58 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.74 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 6.98 0.00 4.39 0.01 -0.93 -2.49 114.94 121.90 3knf s ASN 35 Ca 0.00 2.47 0.00 0.00 -0.71 0.00 0.00 52.86 54.62 3knf s ASN 35 Cb 0.00 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.02 3knf s ASN 35 CO 0.00 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.84 3knf n GLY 36 N 0.96 -0.32 3.04 0.66 0.00 0.29 -2.72 105.19 107.11 3knf n GLY 36 Ca -0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 1.74 -0.25 0.99 1.43 -1.02 -0.22 118.68 121.35 3knf s LEU 37 Ca 0.00 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 3knf s LEU 37 Cb 0.00 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 3knf s LEU 37 CO 0.00 0.07 0.33 -0.51 0.23 0.00 0.00 176.35 176.47 3knf s ILE 38 N 0.40 5.22 -0.25 -0.59 1.10 -0.80 -0.70 121.20 125.58 3knf s ILE 38 Ca -0.09 0.49 -0.03 0.00 -0.51 0.00 0.00 60.65 60.51 3knf s ILE 38 Cb -0.13 -3.66 0.01 0.00 0.15 0.00 0.00 42.46 38.83 3knf s ILE 38 CO 0.03 0.21 -0.03 0.00 -2.11 0.00 0.00 174.94 173.04 3knf s PHE 40 N 1.41 3.18 -0.08 0.00 0.08 -1.03 -0.67 117.98 120.87 3knf s PHE 40 Ca 0.03 -1.33 -0.23 0.00 0.12 0.00 0.00 56.93 55.52 3knf s PHE 40 Cb -0.16 -4.12 -0.04 0.00 -0.57 0.00 0.00 43.02 38.14 3knf s PHE 40 CO -0.03 -1.35 0.70 -1.17 -0.10 0.00 0.00 175.22 173.27 3knf s LEU 41 N 2.30 4.30 -0.19 -0.37 0.20 -0.15 -2.85 118.68 121.92 3knf s LEU 41 Ca 0.23 1.17 0.01 0.00 0.69 0.00 0.00 54.13 56.23 3knf s LEU 41 Cb -0.12 -3.08 0.02 0.00 -0.43 0.00 0.00 46.19 42.58 3knf s LEU 41 CO -0.03 -0.13 -0.18 -0.83 -0.29 0.00 0.00 176.35 174.89 3knf s GLY 42 N 0.83 1.44 -0.20 7.98 0.00 0.41 0.13 107.32 117.91 3knf s GLY 42 Ca 0.37 -1.28 -0.20 0.00 0.00 0.00 0.00 44.72 43.62 3knf s GLY 42 CO 0.17 0.33 0.58 -0.42 0.00 0.00 0.00 173.10 173.77 3knf s ILE 43 N 1.29 5.06 0.28 0.90 -1.09 -1.26 0.86 121.20 127.23 3knf s ILE 43 Ca 0.04 1.08 -0.22 0.00 -2.23 0.00 0.00 60.65 59.31 3knf s ILE 43 Cb -0.14 -3.90 -0.09 0.00 -1.58 0.00 0.00 42.46 36.75 3knf s ILE 43 CO -0.11 0.14 0.83 -2.28 -1.23 0.00 0.00 174.94 172.29 3knf s HIS 44 N 1.78 3.65 -0.39 3.97 5.65 -1.26 -2.58 115.29 126.10 3knf s HIS 44 Ca 0.27 1.57 0.21 0.00 0.25 0.00 0.00 55.06 57.36 3knf s HIS 44 Cb -0.16 -2.76 1.01 0.00 -1.18 0.00 0.00 32.58 29.49 3knf s HIS 44 CO 0.10 0.25 1.65 0.36 -0.65 0.00 0.00 174.74 176.45 3knf n LYS 45 N 0.56 0.15 -0.31 2.88 2.85 -0.98 -0.96 118.16 122.36 3knf n LYS 45 Ca 0.00 0.52 0.11 0.00 -1.05 0.00 0.00 58.31 57.89 3knf n LYS 45 Cb 0.51 -1.88 0.28 0.00 -0.65 0.00 0.00 35.03 33.28 3knf n LYS 45 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3knf n ASN 46 N -2.19 3.70 -4.73 -5.58 3.02 -1.26 -4.90 115.26 103.32 3knf n ASN 46 Ca 0.00 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.15 3knf n ASN 46 Cb 0.13 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.07 6.99 0.58 6.41 1.01 -0.13 -5.01 116.67 125.45 3knf s ASP 47 Ca 0.43 2.23 0.06 0.00 0.71 0.00 0.00 52.55 55.99 3knf s ASP 47 Cb 0.23 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.64 3knf s ASP 47 CO 0.30 -0.49 0.79 0.42 0.21 0.00 0.00 175.17 176.41 3knf s THR 48 N 0.49 2.36 0.26 -1.27 -4.23 -1.26 -4.98 115.64 107.01 3knf s THR 48 Ca 0.57 -0.87 0.31 0.00 -1.18 0.00 0.00 61.69 60.53 3knf s THR 48 Cb -0.34 -2.49 0.34 0.00 1.34 0.00 0.00 72.50 71.35 3knf s THR 48 CO 0.34 0.00 2.02 -0.25 -0.54 0.00 0.00 174.62 176.19 3knf h TRP 49 N 0.09 0.00 -0.15 3.99 2.91 -2.00 -2.63 115.95 118.16 3knf h TRP 49 Ca -0.34 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.55 3knf h TRP 49 Cb 1.28 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.92 3knf h TRP 49 CO 0.27 0.08 -0.45 0.93 -1.03 0.00 0.00 178.44 178.25 3knf h GLU 50 N 0.00 0.37 -0.44 2.65 4.39 -1.99 -0.46 114.58 119.09 3knf h GLU 50 Ca -0.00 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 3knf h GLU 50 Cb 0.46 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3knf h GLU 50 CO 0.01 0.75 0.21 -0.44 -1.16 0.00 0.00 179.01 178.37 3knf h ASP 51 N 0.30 0.58 -0.27 1.42 3.32 -1.86 -0.62 116.42 119.29 3knf h ASP 51 Ca 0.02 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.00 3knf h ASP 51 Cb 0.91 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 40.23 3knf h ASP 51 CO 0.08 0.56 -0.33 0.00 -1.72 0.00 0.00 179.24 177.82 3knf h ALA 52 N 1.05 -0.30 0.36 3.45 0.00 -1.24 -1.66 119.26 120.92 3knf h ALA 52 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3knf h ALA 52 Cb 0.13 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3knf h ALA 52 CO -0.02 -0.77 -0.30 -0.07 0.00 0.00 0.00 179.25 178.08 3knf h LEU 53 N -0.33 -0.81 -0.94 0.00 -0.00 -0.86 -1.76 115.31 110.60 3knf h LEU 53 Ca 0.13 0.06 0.35 0.00 -0.00 0.00 0.00 57.88 58.42 3knf h LEU 53 Cb 0.55 0.26 -0.17 0.00 -0.00 0.00 0.00 40.66 41.30 3knf h LEU 53 CO -0.45 -0.42 0.34 0.00 -0.00 0.00 0.00 178.44 177.91 3knf n TYR 54 N -4.22 0.93 0.27 1.13 9.36 -0.26 0.22 117.16 124.59 3knf n TYR 54 Ca -0.08 1.12 -0.15 0.00 3.32 0.00 0.00 57.90 62.11 3knf n TYR 54 Cb 0.29 -1.41 -0.08 0.00 -0.63 0.00 0.00 39.34 37.50 3knf n TYR 54 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3knf h ILE 55 N 0.00 0.43 -0.60 2.97 2.04 -1.06 -0.63 117.51 120.66 3knf h ILE 55 Ca 0.72 -0.29 0.12 0.00 1.00 0.00 0.00 64.86 66.41 3knf h ILE 55 Cb 1.80 0.55 -0.12 0.00 -0.74 0.00 0.00 36.82 38.32 3knf h ILE 55 CO -0.78 0.04 -0.23 0.40 0.00 0.00 0.00 178.15 177.58 3knf h ILE 56 N -0.88 0.28 0.17 -0.67 5.03 0.35 -0.92 117.51 120.86 3knf h ILE 56 Ca -0.07 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 3knf h ILE 56 Cb 0.60 0.28 -0.01 0.00 -3.03 0.00 0.00 36.82 34.66 3knf h ILE 56 CO 0.12 0.00 -0.12 -0.09 -0.68 0.00 0.00 178.15 177.37 3knf h ARG 57 N -0.08 -0.29 0.00 2.37 2.43 -0.70 -2.01 114.38 116.10 3knf h ARG 57 Ca 0.27 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3knf h ARG 57 Cb 0.51 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3knf h ARG 57 CO -0.66 -0.19 -0.03 0.87 -1.51 0.00 0.00 179.97 178.45 3knf h LYS 58 N -0.30 0.00 -0.12 0.20 1.79 -0.29 0.17 116.57 118.02 3knf h LYS 58 Ca -0.01 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.28 3knf h LYS 58 Cb 0.26 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3knf h LYS 58 CO -0.01 0.03 -0.63 0.00 -1.08 0.00 0.00 179.45 177.76 3knf h LEU 60 N 0.30 0.76 0.00 0.00 3.38 -0.46 -3.39 115.31 115.90 3knf h LEU 60 Ca -0.04 -0.76 -0.26 0.00 0.09 0.00 0.00 57.88 56.90 3knf h LEU 60 Cb 1.27 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 3knf h LEU 60 CO 0.13 1.43 -2.02 0.59 0.09 0.00 0.00 178.44 178.66 3knf n ASN 61 N -3.99 0.32 -4.37 -0.43 3.02 0.45 -3.61 115.26 106.65 3knf n ASN 61 Ca -0.11 0.15 -0.52 0.00 -0.03 0.00 0.00 54.58 54.07 3knf n ASN 61 Cb 0.82 0.80 -0.11 0.00 -0.61 0.00 0.00 39.78 40.67 3knf n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3knf n LEU 62 N -2.76 0.99 -4.56 3.41 4.77 -0.95 -4.59 117.00 113.31 3knf n LEU 62 Ca -0.21 0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 3knf n LEU 62 Cb 0.99 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3knf n LEU 62 CO 0.44 -0.79 1.39 -0.13 -1.33 0.00 0.00 177.39 176.97 3knf s ARG 63 N 7.00 3.11 0.00 3.23 0.52 -1.26 -4.41 118.95 127.14 3knf s ARG 63 Ca 1.21 -0.45 0.10 0.00 -0.52 0.00 0.00 55.73 56.07 3knf s ARG 63 Cb -1.23 -4.85 0.05 0.00 0.52 0.00 0.00 34.95 29.43 3knf s ARG 63 CO 0.56 -2.54 0.74 1.28 0.02 0.00 0.00 175.30 175.36 3knf n LEU 64 N 10.77 1.59 -4.53 2.53 4.77 -0.98 -4.09 117.00 127.06 3knf n LEU 64 Ca 0.25 -0.90 -0.34 0.00 -0.03 0.00 0.00 56.01 54.99 3knf n LEU 64 Cb 0.50 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 3knf n LEU 64 CO 0.67 0.31 -0.31 0.26 -1.33 0.00 0.00 177.39 176.99 3knf s TRP 65 N -1.06 3.11 0.00 -1.77 0.51 0.72 -4.77 118.94 115.68 3knf s TRP 65 Ca 0.10 -0.21 0.00 0.00 -2.12 0.00 0.00 56.10 53.88 3knf s TRP 65 Cb 0.08 -2.04 0.00 0.00 -0.81 0.00 0.00 33.47 30.70 3knf s TRP 65 CO 0.18 -0.03 0.00 0.09 -0.51 0.00 0.00 176.95 176.68 3knf n ASN 66 N 3.77 -0.47 0.12 2.95 3.02 -1.26 0.69 115.26 124.09 3knf n ASN 66 Ca -0.17 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3knf n ASN 66 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3knf n ASN 66 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3knf n ASN 67 N -1.09 -1.08 0.00 6.41 2.85 -1.26 -4.30 115.26 116.78 3knf n ASN 67 Ca 0.00 0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.90 3knf n ASN 67 Cb 0.00 1.17 0.00 0.00 1.24 0.00 0.00 39.78 42.19 3knf n ASN 67 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 3knf n LYS 70 N -3.16 0.00 -3.74 1.20 0.00 -1.26 -5.17 118.16 106.04 3knf n LYS 70 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 3knf n LYS 70 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 3knf n LYS 70 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3knf s THR 71 N 0.00 -0.00 -1.19 0.58 -4.23 -1.26 -4.89 115.64 104.64 3knf s THR 71 Ca 0.00 0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.32 3knf s THR 71 Cb 0.00 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.31 3knf s THR 71 CO 0.00 0.01 0.72 0.79 -0.54 0.00 0.00 174.62 175.59 3knf n TRP 72 N 3.06 -1.77 -0.12 3.99 7.02 -1.26 -4.91 117.44 123.44 3knf n TRP 72 Ca -0.14 0.42 -0.22 0.00 -1.02 0.00 0.00 57.50 56.53 3knf n TRP 72 Cb 0.57 -3.36 -0.08 0.00 -2.42 0.00 0.00 31.31 26.02 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 -2.62 1.93 -4.54 -0.99 2.03 -0.47 -4.72 116.55 107.17 3knf n ASP 73 Ca -0.13 0.37 -0.31 0.00 0.52 0.00 0.00 54.79 55.24 3knf n ASP 73 Cb 0.60 -0.83 -0.11 0.00 -0.72 0.00 0.00 41.12 40.06 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 -2.56 2.35 0.00 -0.67 -0.14 0.22 -4.82 119.74 114.11 3knf s LYS 74 Ca -0.33 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 3knf s LYS 74 Cb 0.10 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 3knf s LYS 74 CO 0.47 0.57 0.00 0.27 -0.76 0.00 0.00 175.35 175.90 3knf n ASN 75 N 1.48 0.00 0.17 2.83 0.23 -1.26 -0.20 115.26 118.51 3knf n ASN 75 Ca -0.15 -0.38 -0.08 0.00 -0.53 0.00 0.00 54.58 53.44 3knf n ASN 75 Cb 0.52 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.19 3knf n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3knf h VAL 76 N -0.07 0.00 -0.93 3.53 2.07 -1.77 -3.09 116.25 115.99 3knf h VAL 76 Ca 0.00 -0.48 0.27 0.00 0.82 0.00 0.00 66.70 67.31 3knf h VAL 76 Cb 0.00 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.62 3knf h VAL 76 CO 0.00 0.00 0.32 0.11 0.02 0.00 0.00 177.57 178.02 3knf h LYS 77 N -0.98 0.20 0.00 1.57 1.57 -1.86 -1.29 116.57 115.78 3knf h LYS 77 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3knf h LYS 77 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3knf h LYS 77 CO 0.08 0.13 0.00 -0.25 -0.57 0.00 0.00 179.45 178.85 3knf n ASP 78 N -5.21 0.00 0.00 0.86 8.00 -1.23 -2.84 116.55 116.12 3knf n ASP 78 Ca 0.25 0.59 0.01 0.00 0.71 0.00 0.00 54.79 56.35 3knf n ASP 78 Cb 0.81 -0.09 0.04 0.00 -0.02 0.00 0.00 41.12 41.86 3knf n ASP 78 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3knf n LEU 79 N -0.92 0.00 -1.44 0.64 4.77 -1.07 -4.77 117.00 114.22 3knf n LEU 79 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3knf n LEU 79 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3knf n LEU 79 CO 0.00 0.00 -0.16 -3.20 -1.33 0.00 0.00 177.39 172.70 3knf n ASN 80 N -0.86 -4.13 -3.02 -1.43 4.05 -0.52 -5.01 115.26 104.33 3knf n ASN 80 Ca 0.01 0.02 -0.16 0.00 0.45 0.00 0.00 54.58 54.91 3knf n ASN 80 Cb 0.01 -3.26 0.11 0.00 1.23 0.00 0.00 39.78 37.86 3knf n ASN 80 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 3knf n TYR 81 N -3.87 -3.91 -4.41 1.20 4.01 -0.99 -5.02 117.16 104.16 3knf n TYR 81 Ca -0.15 -0.61 -0.29 0.00 -0.16 0.00 0.00 57.90 56.68 3knf n TYR 81 Cb 0.60 -0.56 -0.06 0.00 -0.31 0.00 0.00 39.34 39.01 3knf n TYR 81 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3knf s GLU 82 N -4.51 2.19 -0.02 -0.72 2.02 -1.10 -4.78 118.70 111.78 3knf s GLU 82 Ca 0.40 -2.17 0.02 0.00 0.02 0.00 0.00 54.97 53.24 3knf s GLU 82 Cb -0.01 -1.77 -0.00 0.00 0.10 0.00 0.00 34.13 32.45 3knf s GLU 82 CO 0.28 -0.35 -0.08 -0.51 0.02 0.00 0.00 175.26 174.62 3knf s LEU 83 N -3.97 1.88 -0.24 1.80 1.43 -1.03 -2.43 118.68 116.12 3knf s LEU 83 Ca 0.22 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 3knf s LEU 83 Cb 0.02 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 3knf s LEU 83 CO 0.13 0.07 0.05 -0.22 0.23 0.00 0.00 176.35 176.61 3knf s LEU 84 N 0.03 3.33 -0.37 1.79 2.96 0.12 -0.98 118.68 125.57 3knf s LEU 84 Ca -0.00 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.57 3knf s LEU 84 Cb -0.06 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.79 3knf s LEU 84 CO -0.00 -0.03 0.18 -0.63 -1.32 0.00 0.00 176.35 174.55 3knf s ILE 85 N 1.59 4.24 -0.22 6.68 -1.09 0.60 -0.11 121.20 132.88 3knf s ILE 85 Ca 0.06 -1.06 -0.04 0.00 -2.23 0.00 0.00 60.65 57.39 3knf s ILE 85 Cb -0.15 -3.42 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 3knf s ILE 85 CO 0.02 -0.27 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.73 3knf s VAL 86 N 1.48 3.31 0.31 2.92 1.01 0.15 -3.93 120.40 125.65 3knf s VAL 86 Ca 0.01 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 3knf s VAL 86 Cb -0.20 -2.52 -0.12 0.00 0.00 0.00 0.00 36.38 33.54 3knf s VAL 86 CO 0.05 0.40 1.48 -0.24 0.00 0.00 0.00 175.10 176.79 3knf n SER 87 N 4.79 3.44 -3.53 3.32 2.88 -1.26 -0.98 113.62 122.28 3knf n SER 87 Ca -0.18 1.18 -0.23 0.00 -1.33 0.00 0.00 58.87 58.30 3knf n SER 87 Cb 0.50 -1.55 -0.14 0.00 -0.75 0.00 0.00 64.21 62.27 3knf n SER 87 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3knf s GLN 88 N -1.09 0.17 0.27 -1.46 -1.52 0.35 -4.77 119.66 111.61 3knf s GLN 88 Ca 0.61 -0.13 0.15 0.00 -1.95 0.00 0.00 55.36 54.04 3knf s GLN 88 Cb -0.53 -1.30 0.05 0.00 -0.22 0.00 0.00 33.01 31.02 3knf s GLN 88 CO 0.55 -0.81 1.43 0.27 -0.25 0.00 0.00 175.29 176.47 3knf h PHE 89 N 8.36 0.00 0.00 0.91 -5.15 -1.95 -3.29 116.94 115.83 3knf h PHE 89 Ca -0.17 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.60 3knf h PHE 89 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.27 3knf h PHE 89 CO 0.20 0.51 0.02 0.25 -2.00 0.00 0.00 178.31 177.29 3knf n THR 90 N -3.22 1.13 0.26 0.88 -2.24 -1.26 -1.60 114.28 108.22 3knf n THR 90 Ca 0.02 0.71 0.12 0.00 -2.27 0.00 0.00 64.05 62.63 3knf n THR 90 Cb 0.74 -1.71 0.68 0.00 -2.10 0.00 0.00 70.33 67.94 3knf n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3knf h LEU 91 N 0.00 0.00 -1.90 3.22 3.38 -1.97 -1.38 115.31 116.66 3knf h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3knf h LEU 91 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3knf h LEU 91 CO 0.00 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.16 3knf n PHE 92 N -3.59 0.12 -2.54 1.13 3.72 -0.63 -4.64 117.46 111.03 3knf n PHE 92 Ca -0.01 -0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.91 3knf n PHE 92 Cb 0.27 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.81 3knf n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3knf s GLY 93 N -1.87 1.48 0.48 1.37 0.00 -0.52 -4.45 107.32 103.81 3knf s GLY 93 Ca 0.32 -2.75 -0.23 0.00 0.00 0.00 0.00 44.72 42.05 3knf s GLY 93 CO 0.31 2.77 1.26 0.54 0.00 0.00 0.00 173.10 177.98 3knf s ASN 94 N 4.51 5.84 -0.24 1.64 2.20 -1.19 -4.72 114.94 122.99 3knf s ASN 94 Ca 0.54 2.55 0.10 0.00 -0.94 0.00 0.00 52.86 55.10 3knf s ASN 94 Cb 0.03 -2.62 0.44 0.00 -2.00 0.00 0.00 41.25 37.10 3knf s ASN 94 CO 0.05 -1.16 1.21 0.35 -2.94 0.00 0.00 177.10 174.61 3knf n THR 95 N -0.59 2.31 -0.06 0.54 -2.24 -1.26 -3.34 114.28 109.63 3knf n THR 95 Ca 0.08 -3.62 -0.13 0.00 -2.27 0.00 0.00 64.05 58.11 3knf n THR 95 Cb 0.46 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 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 1.50 0.41 0.00 -0.78 1.57 -1.97 -3.37 116.57 113.94 3knf h LYS 96 Ca 0.15 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3knf h LYS 96 Cb 1.24 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 3knf h LYS 96 CO 0.32 0.74 -1.08 0.87 -0.57 0.00 0.00 179.45 179.73 3knf h LYS 97 N 0.08 0.00 0.00 3.15 1.57 -1.95 -3.49 116.57 115.93 3knf h LYS 97 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3knf h LYS 97 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3knf h LYS 97 CO 0.04 0.27 0.00 0.41 -0.57 0.00 0.00 179.45 179.59 3knf n GLY 98 N 1.31 2.09 1.08 3.86 0.00 -1.26 -5.02 105.19 107.25 3knf n GLY 98 Ca -0.05 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.38 3.21 -4.07 1.61 3.02 -1.26 -4.73 115.26 112.67 3knf n ASN 99 Ca 0.00 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.26 3knf n ASN 99 Cb 0.00 -0.28 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 3knf n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3knf s LYS 100 N -1.44 1.86 -0.02 3.52 2.20 -1.26 -5.08 119.74 119.52 3knf s LYS 100 Ca 0.39 -1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.02 3knf s LYS 100 Cb 0.22 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 3knf s LYS 100 CO 0.30 -0.85 1.36 -1.25 -0.36 0.00 0.00 175.35 174.55 3knf s PRO 101 N 1.03 4.29 -0.08 4.03 0.04 -1.26 -4.98 135.00 138.07 3knf s PRO 101 Ca 0.04 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 3knf s PRO 101 Cb -0.20 -3.60 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 3knf s PRO 101 CO -0.06 -0.57 0.36 0.16 0.04 0.00 0.00 177.00 176.93 3knf s ASP 102 N 1.86 6.63 -0.83 6.66 1.47 -1.21 -4.89 116.67 126.36 3knf s ASP 102 Ca 0.62 0.75 -0.01 0.00 1.18 0.00 0.00 52.55 55.09 3knf s ASP 102 Cb -0.29 -2.22 0.35 0.00 -0.34 0.00 0.00 42.92 40.42 3knf s ASP 102 CO 0.25 0.21 1.87 0.49 0.68 0.00 0.00 175.17 178.67 3knf n PHE 103 N 2.69 3.02 0.28 2.11 3.72 -1.26 -3.16 117.46 124.86 3knf n PHE 103 Ca -0.13 -2.49 0.15 0.00 -0.05 0.00 0.00 57.45 54.93 3knf n PHE 103 Cb 0.52 -1.05 0.80 0.00 -0.94 0.00 0.00 39.48 38.82 3knf n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3knf h HIS 104 N 3.15 0.00 -0.45 1.38 3.86 -1.95 -2.80 115.15 118.34 3knf h HIS 104 Ca 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 3knf h HIS 104 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3knf h HIS 104 CO 1.16 0.08 0.00 1.28 0.86 0.00 0.00 177.93 181.31 3knf n LEU 105 N -3.44 3.39 -4.74 2.43 4.32 -1.26 -4.91 117.00 112.79 3knf n LEU 105 Ca -0.02 -1.52 -0.41 0.00 -0.02 0.00 0.00 56.01 54.05 3knf n LEU 105 Cb 0.22 -0.29 -0.04 0.00 -1.62 0.00 0.00 43.42 41.69 3knf n LEU 105 CO 0.28 0.76 0.83 0.00 -1.22 0.00 0.00 177.39 178.04 3knf s ALA 106 N -1.42 3.40 0.81 -1.18 0.00 -1.06 -2.31 121.76 120.01 3knf s ALA 106 Ca 0.40 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 3knf s ALA 106 Cb 0.23 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 20.05 3knf s ALA 106 CO 0.31 -0.27 1.07 1.17 0.00 0.00 0.00 175.76 178.04 3knf n LYS 107 N 2.17 0.13 -1.74 0.00 4.81 -1.06 -4.48 118.16 117.99 3knf n LYS 107 Ca 0.03 0.12 -0.42 0.00 -0.87 0.00 0.00 58.31 57.16 3knf n LYS 107 Cb 0.45 -2.33 -0.03 0.00 0.02 0.00 0.00 35.03 33.15 3knf n LYS 107 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3knf s GLU 108 N -3.95 4.15 0.21 1.64 -6.30 -1.26 -4.79 118.70 108.40 3knf s GLU 108 Ca 0.71 2.55 0.08 0.00 -2.50 0.00 0.00 54.97 55.82 3knf s GLU 108 Cb -0.29 -3.78 0.68 0.00 0.00 0.00 0.00 34.13 30.74 3knf s GLU 108 CO 0.53 -0.86 0.94 -2.30 0.02 0.00 0.00 175.26 173.59 3knf n PRO 109 N 6.29 -0.04 0.08 4.30 -0.02 -1.26 -0.96 135.00 143.39 3knf n PRO 109 Ca 0.18 0.85 -0.12 0.00 -2.02 0.00 0.00 63.50 62.40 3knf n PRO 109 Cb 0.39 -1.46 -0.05 0.00 -0.02 0.00 0.00 33.50 32.36 3knf n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3knf h ASN 110 N 0.00 0.38 0.71 2.55 2.35 -2.01 -2.98 115.58 116.59 3knf h ASN 110 Ca 0.45 -0.33 -0.21 0.00 -0.55 0.00 0.00 56.30 55.67 3knf h ASN 110 Cb 1.12 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3knf h ASN 110 CO -0.50 1.16 -0.94 -0.33 -1.65 0.00 0.00 177.43 175.16 3knf h GLU 111 N 0.14 0.14 0.08 0.81 5.08 -1.42 -3.15 114.58 116.26 3knf h GLU 111 Ca -0.07 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3knf h GLU 111 Cb 1.63 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.90 3knf h GLU 111 CO 0.16 0.98 -0.40 0.00 -1.00 0.00 0.00 179.01 178.75 3knf h ALA 112 N 0.96 -0.88 -0.56 3.43 0.00 -1.37 0.34 119.26 121.17 3knf h ALA 112 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3knf h ALA 112 Cb 1.61 0.80 0.00 0.00 0.00 0.00 0.00 17.79 20.20 3knf h ALA 112 CO 0.14 -0.99 0.00 -0.11 0.00 0.00 0.00 179.25 178.29 3knf n LEU 113 N -4.71 0.00 -0.30 0.00 7.94 -1.13 0.13 117.00 118.93 3knf n LEU 113 Ca -0.06 0.79 0.13 0.00 -1.11 0.00 0.00 56.01 55.76 3knf n LEU 113 Cb 0.31 -0.35 0.29 0.00 0.53 0.00 0.00 43.42 44.20 3knf n LEU 113 CO 0.11 -0.35 0.97 0.40 -1.11 0.00 0.00 177.39 177.42 3knf h ILE 114 N 0.00 0.36 -0.62 1.96 1.08 -1.44 0.65 117.51 119.50 3knf h ILE 114 Ca 0.00 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 64.29 3knf h ILE 114 Cb 0.00 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.81 3knf h ILE 114 CO 0.00 0.05 0.05 0.15 -0.69 0.00 0.00 178.15 177.71 3knf h PHE 115 N 0.26 1.13 -0.13 1.37 -0.00 0.36 -1.84 116.94 118.10 3knf h PHE 115 Ca 0.55 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.97 58.33 3knf h PHE 115 Cb 1.10 -0.30 -0.00 0.00 -0.00 0.00 0.00 35.95 36.74 3knf h PHE 115 CO -0.22 0.98 0.01 -0.92 -0.00 0.00 0.00 178.31 178.15 3knf h TYR 116 N 0.98 0.24 0.00 0.41 5.03 0.66 0.31 116.97 124.59 3knf h TYR 116 Ca 0.18 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.44 3knf h TYR 116 Cb 0.49 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.71 3knf h TYR 116 CO 0.03 0.44 -0.08 -0.91 -1.32 0.00 0.00 178.16 176.33 3knf h ASN 117 N -0.03 0.00 -0.08 -2.11 2.35 -0.54 0.20 115.58 115.38 3knf h ASN 117 Ca 0.04 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.55 3knf h ASN 117 Cb 0.34 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.72 3knf h ASN 117 CO 0.00 0.08 -0.90 0.11 -1.65 0.00 0.00 177.43 175.07 3knf h LYS 118 N 0.00 0.74 -0.33 0.81 1.57 -0.79 -1.56 116.57 117.01 3knf h LYS 118 Ca -0.00 -0.70 -0.08 0.00 -1.87 0.00 0.00 60.65 58.00 3knf h LYS 118 Cb 0.29 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3knf h LYS 118 CO 0.01 1.29 -0.13 0.82 -0.57 0.00 0.00 179.45 180.86 3knf h ILE 119 N 0.45 1.24 -0.14 1.86 2.04 0.13 -1.24 117.51 121.85 3knf h ILE 119 Ca -0.09 -1.10 -0.11 0.00 1.00 0.00 0.00 64.86 64.56 3knf h ILE 119 Cb 1.54 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3knf h ILE 119 CO 0.18 0.36 -0.35 0.40 0.00 0.00 0.00 178.15 178.74 3knf h ILE 120 N 0.54 1.36 0.00 -0.67 2.04 -0.70 0.14 117.51 120.21 3knf h ILE 120 Ca 0.09 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3knf h ILE 120 Cb 0.55 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3knf h ILE 120 CO 0.03 0.49 0.00 0.47 0.00 0.00 0.00 178.15 179.14 3knf n ASP 121 N -4.34 0.00 -0.30 1.72 8.00 -0.59 0.22 116.55 121.26 3knf n ASP 121 Ca -0.07 0.59 0.14 0.00 0.71 0.00 0.00 54.79 56.16 3knf n ASP 121 Cb 0.51 -0.09 0.27 0.00 -0.02 0.00 0.00 41.12 41.78 3knf n ASP 121 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3knf n GLU 122 N -1.15 -0.07 0.30 -1.24 4.07 -0.48 0.63 120.64 122.69 3knf n GLU 122 Ca 0.00 1.29 -0.17 0.00 -0.06 0.00 0.00 57.16 58.22 3knf n GLU 122 Cb 0.00 -2.07 -0.08 0.00 -0.06 0.00 0.00 31.44 29.23 3knf n GLU 122 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 3knf h PHE 123 N 0.00 -0.82 -0.40 4.31 3.04 -0.56 0.27 116.94 122.78 3knf h PHE 123 Ca 0.54 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.54 3knf h PHE 123 Cb 1.14 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.92 3knf h PHE 123 CO -0.41 -0.48 0.27 0.87 -2.02 0.00 0.00 178.31 176.54 3knf h LYS 124 N -0.78 0.26 0.35 1.11 1.57 0.46 -2.65 116.57 116.88 3knf h LYS 124 Ca -0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3knf h LYS 124 Cb 0.64 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3knf h LYS 124 CO 0.06 0.17 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.73 3knf h LYS 125 N 0.27 -0.45 0.00 3.15 3.64 0.19 0.19 116.57 123.55 3knf h LYS 125 Ca 0.18 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3knf h LYS 125 Cb 0.37 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3knf h LYS 125 CO -0.04 -0.30 0.27 1.04 -2.27 0.00 0.00 179.45 178.15 3knf n GLN 126 N -3.82 0.02 0.00 1.90 6.02 0.89 -4.22 117.38 118.18 3knf n GLN 126 Ca -0.06 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 3knf n GLN 126 Cb 0.19 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.61 3knf n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3knf n TYR 127 N -1.45 0.00 -2.86 1.08 9.36 -1.07 -5.09 117.16 117.13 3knf n TYR 127 Ca -0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.23 3knf n TYR 127 Cb 0.27 0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 3knf n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3knf s ASN 128 N -2.18 -0.58 0.55 2.98 3.84 -1.06 -5.04 114.94 113.46 3knf s ASN 128 Ca 0.00 -0.29 0.45 0.00 0.21 0.00 0.00 52.86 53.23 3knf s ASN 128 Cb 0.00 0.74 1.67 0.00 -0.55 0.00 0.00 41.25 43.11 3knf s ASN 128 CO 0.00 -0.06 1.64 -2.24 -2.79 0.00 0.00 177.10 173.65 3knf h ASP 129 N 5.76 0.02 0.14 -4.21 3.04 -0.92 3.22 116.42 123.47 3knf h ASP 129 Ca -0.02 0.01 -0.04 0.00 -3.24 0.00 0.00 57.03 53.74 3knf h ASP 129 Cb 1.22 0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 3knf h ASP 129 CO -0.04 -0.01 -0.16 -0.78 -2.04 0.00 0.00 179.24 176.21 3knf h ASP 130 N 0.01 0.05 0.37 4.15 3.58 -1.96 -3.18 116.42 119.44 3knf h ASP 130 Ca 0.83 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.27 3knf h ASP 130 Cb 3.28 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 44.32 3knf h ASP 130 CO -0.04 0.22 -0.14 0.29 -2.88 0.00 0.00 179.24 176.70 3knf n LYS 131 N -4.32 0.67 -3.94 0.28 4.76 1.07 -4.90 118.16 111.79 3knf n LYS 131 Ca -0.02 -0.26 -0.33 0.00 -2.87 0.00 0.00 58.31 54.83 3knf n LYS 131 Cb 0.25 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.51 5.31 0.02 -0.18 1.09 -1.20 -2.45 121.20 121.28 3knf s ILE 132 Ca 0.27 -0.21 0.02 0.00 -1.10 0.00 0.00 60.65 59.63 3knf s ILE 132 Cb 0.20 -3.48 -0.01 0.00 -1.06 0.00 0.00 42.46 38.11 3knf s ILE 132 CO 0.49 0.32 -0.06 -0.54 -0.10 0.00 0.00 174.94 175.05 3knf s LYS 133 N -1.92 0.46 0.30 2.79 -0.14 -0.15 -4.96 119.74 116.12 3knf s LYS 133 Ca 0.27 -0.45 0.05 0.00 -1.36 0.00 0.00 55.97 54.48 3knf s LYS 133 Cb -0.13 -0.33 -0.06 0.00 -1.68 0.00 0.00 37.83 35.63 3knf s LYS 133 CO 0.18 0.08 0.00 0.96 -0.76 0.00 0.00 175.35 175.81 3knf s ILE 134 N -0.71 1.42 0.00 2.17 -0.00 -1.26 -0.29 121.20 122.52 3knf s ILE 134 Ca -0.04 -2.05 0.00 0.00 -0.00 0.00 0.00 60.65 58.56 3knf s ILE 134 Cb -0.06 -2.62 0.00 0.00 -0.00 0.00 0.00 42.46 39.78 3knf s ILE 134 CO 0.00 -0.16 0.00 0.61 -0.00 0.00 0.00 174.94 175.39 3knf n GLY 135 N -0.64 2.17 3.30 6.27 0.00 -1.25 -4.78 105.19 110.26 3knf n GLY 135 Ca -0.04 -2.00 -0.45 0.00 0.00 0.00 0.00 46.02 43.53 3knf n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knf s LYS 136 N 3.20 2.93 0.12 1.61 -0.14 -1.26 -5.02 119.74 121.18 3knf s LYS 136 Ca 0.00 -1.74 -0.35 0.00 -1.36 0.00 0.00 55.97 52.53 3knf s LYS 136 Cb 0.00 -4.25 -0.16 0.00 -1.68 0.00 0.00 37.83 31.74 3knf s LYS 136 CO 0.00 -1.31 1.24 0.34 -0.76 0.00 0.00 175.35 174.86 3knf n PHE 137 N 5.17 1.36 -1.06 3.18 7.35 -1.26 -1.40 117.46 130.80 3knf n PHE 137 Ca -0.13 0.68 -0.07 0.00 -0.76 0.00 0.00 57.45 57.17 3knf n PHE 137 Cb 0.40 -2.29 -0.03 0.00 0.35 0.00 0.00 39.48 37.91 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 2.24 0.64 3.56 7.13 0.00 -1.26 -4.93 105.19 112.57 3knf n GLY 138 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.89 4.76 0.20 1.61 0.01 -0.49 -5.08 114.94 114.05 3knf s ASN 139 Ca 0.00 -0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.80 3knf s ASN 139 Cb 0.00 -1.46 -0.16 0.00 0.41 0.00 0.00 41.25 40.04 3knf s ASN 139 CO 0.00 0.28 0.77 0.00 -1.51 0.00 0.00 177.10 176.64 3knf n TYR 140 N 2.75 0.25 -4.17 2.20 9.36 -1.26 -4.79 117.16 121.50 3knf n TYR 140 Ca -0.18 0.88 -0.11 0.00 3.32 0.00 0.00 57.90 61.82 3knf n TYR 140 Cb 0.53 -2.08 -0.10 0.00 -0.63 0.00 0.00 39.34 37.06 3knf n TYR 140 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3knf s MET 141 N -0.97 0.92 -0.29 2.98 -1.94 -1.26 -4.48 119.30 114.25 3knf s MET 141 Ca 0.66 -1.42 -0.00 0.00 -1.71 0.00 0.00 55.69 53.22 3knf s MET 141 Cb -0.90 0.01 0.09 0.00 2.01 0.00 0.00 34.83 36.05 3knf s MET 141 CO 0.57 -0.16 0.07 1.21 -0.01 0.00 0.00 175.02 176.69 3knf s ASN 142 N -3.07 3.98 -0.27 3.03 3.04 0.38 -4.99 114.94 117.05 3knf s ASN 142 Ca 0.20 -1.57 -0.12 0.00 0.04 0.00 0.00 52.86 51.41 3knf s ASN 142 Cb 0.07 -0.96 -0.05 0.00 -1.54 0.00 0.00 41.25 38.78 3knf s ASN 142 CO -0.00 -0.38 0.26 -0.63 -3.04 0.00 0.00 177.10 173.30 3knf s ILE 143 N 1.54 5.26 -0.17 -5.21 1.09 -1.26 -0.78 121.20 121.67 3knf s ILE 143 Ca 0.07 0.33 -0.23 0.00 -1.10 0.00 0.00 60.65 59.72 3knf s ILE 143 Cb -0.18 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.61 3knf s ILE 143 CO -0.19 0.23 0.71 -1.81 -0.10 0.00 0.00 174.94 173.77 3knf s ASP 144 N 1.64 6.83 -0.13 3.58 1.11 0.10 -4.93 116.67 124.87 3knf s ASP 144 Ca 0.10 1.01 -0.00 0.00 0.18 0.00 0.00 52.55 53.84 3knf s ASP 144 Cb -0.16 -2.40 0.03 0.00 1.07 0.00 0.00 42.92 41.47 3knf s ASP 144 CO 0.10 -0.29 -0.08 -0.69 1.18 0.00 0.00 175.17 175.38 3knf s VAL 145 N 1.83 1.15 -0.54 -1.27 1.01 -1.26 0.52 120.40 121.84 3knf s VAL 145 Ca 0.33 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 3knf s VAL 145 Cb -0.16 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.06 3knf s VAL 145 CO 0.12 0.32 1.14 -0.89 0.00 0.00 0.00 175.10 175.79 3knf s THR 146 N 1.65 4.13 -0.17 3.92 2.01 -0.94 -5.00 115.64 121.25 3knf s THR 146 Ca 0.04 0.94 -0.27 0.00 0.31 0.00 0.00 61.69 62.71 3knf s THR 146 Cb -0.13 -4.66 -0.01 0.00 0.01 0.00 0.00 72.50 67.71 3knf s THR 146 CO -0.08 -1.19 0.90 0.20 -0.69 0.00 0.00 174.62 173.75 3knf s ASN 147 N 2.75 7.04 -0.45 3.53 0.01 -1.26 -1.26 114.94 125.30 3knf s ASN 147 Ca 0.43 1.28 -0.10 0.00 -0.71 0.00 0.00 52.86 53.76 3knf s ASN 147 Cb -0.08 -2.49 0.10 0.00 0.41 0.00 0.00 41.25 39.19 3knf s ASN 147 CO 0.27 -0.45 0.32 -0.62 -1.51 0.00 0.00 177.10 175.11 3knf s ASP 148 N 1.15 5.73 0.00 -1.22 2.15 -0.82 -4.70 116.67 118.96 3knf s ASP 148 Ca 0.41 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.71 3knf s ASP 148 Cb -0.17 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 3knf s ASP 148 CO 0.13 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 3knf n GLY 149 N 4.95 1.53 3.97 2.66 0.00 -1.26 -4.00 105.19 113.04 3knf n GLY 149 Ca -0.09 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 1.12 -0.09 1.61 0.04 -1.26 -5.19 135.00 131.22 3knf s PRO 150 Ca 0.00 -0.92 -0.04 0.00 0.04 0.00 0.00 61.00 60.08 3knf s PRO 150 Cb 0.00 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3knf s PRO 150 CO 0.00 -1.93 0.21 0.08 0.04 0.00 0.00 177.00 175.40 3knf s VAL 151 N -3.48 -0.07 -0.23 -0.36 1.01 -1.26 -5.03 120.40 110.99 3knf s VAL 151 Ca 0.71 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 3knf s VAL 151 Cb -0.04 -0.33 0.08 0.00 0.00 0.00 0.00 36.38 36.09 3knf s VAL 151 CO 0.48 0.07 0.12 -0.89 0.00 0.00 0.00 175.10 174.88 3knf s THR 152 N 1.31 -0.09 0.09 3.92 2.01 -1.25 -2.40 115.64 119.22 3knf s THR 152 Ca -0.08 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.33 3knf s THR 152 Cb -0.11 -0.77 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 3knf s THR 152 CO -0.08 -0.49 0.48 -0.63 -0.69 0.00 0.00 174.62 173.22 3knf s ILE 153 N 2.13 4.93 -0.17 1.82 1.09 0.09 -4.91 121.20 126.18 3knf s ILE 153 Ca 0.06 0.80 0.01 0.00 -1.10 0.00 0.00 60.65 60.41 3knf s ILE 153 Cb -0.16 -3.73 0.03 0.00 -1.06 0.00 0.00 42.46 37.54 3knf s ILE 153 CO -0.23 0.38 -0.14 -0.47 -0.10 0.00 0.00 174.94 174.38 3knf s TYR 154 N -1.31 2.39 -0.09 3.97 6.14 -1.26 -1.32 117.35 125.87 3knf s TYR 154 Ca 0.32 -1.44 0.03 0.00 0.64 0.00 0.00 57.07 56.63 3knf s TYR 154 Cb -0.16 -1.69 0.00 0.00 0.42 0.00 0.00 41.96 40.54 3knf s TYR 154 CO 0.17 -0.72 -0.20 0.42 0.64 0.00 0.00 175.55 175.86 3knf s ILE 155 N 1.41 1.78 -0.29 3.14 1.01 -1.10 -5.02 121.20 122.13 3knf s ILE 155 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3knf s ILE 155 Cb -0.14 -1.56 0.08 0.00 0.01 0.00 0.00 42.46 40.85 3knf s ILE 155 CO -0.10 0.50 -0.02 -0.62 0.00 0.00 0.00 174.94 174.70 3knf s ASP 156 N 0.48 4.40 0.61 3.58 -1.08 -1.26 -1.58 116.67 121.82 3knf s ASP 156 Ca -0.17 -1.67 0.28 0.00 -0.52 0.00 0.00 52.55 50.48 3knf s ASP 156 Cb -0.17 -1.43 1.52 0.00 -1.46 0.00 0.00 42.92 41.37 3knf s ASP 156 CO 0.07 -0.29 1.84 0.71 0.52 0.00 0.00 175.17 178.01 3knf h THR 157 N 6.66 0.00 0.00 1.71 1.35 -1.83 -1.44 112.91 119.36 3knf h THR 157 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3knf h THR 157 Cb 1.04 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3knf h THR 157 CO 0.47 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.15 3knf n HIS 158 N -2.76 0.00 -0.81 4.73 8.25 -1.26 -2.30 115.22 121.07 3knf n HIS 158 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 3knf n HIS 158 Cb 0.35 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.70 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 -0.59 3.76 0.00 0.41 8.00 -0.54 -5.15 116.55 122.44 3knf n ASP 159 Ca 0.02 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.73 3knf n ASP 159 Cb 0.01 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 3knf n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43