#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 1.78 -0.01 2.12 0.52 0.12 -1.77 118.95 121.71 3knf s ARG 2 Ca 0.00 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 3knf s ARG 2 Cb 0.00 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.71 3knf s ARG 2 CO 0.00 0.48 0.00 0.54 0.02 0.00 0.00 175.30 176.34 3knf s VAL 3 N -0.59 0.07 -0.38 3.52 0.11 -0.89 -0.37 120.40 121.87 3knf s VAL 3 Ca 0.09 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 3knf s VAL 3 Cb -0.09 -0.11 0.03 0.00 -1.53 0.00 0.00 36.38 34.68 3knf s VAL 3 CO -0.00 0.06 0.21 -0.69 -3.33 0.00 0.00 175.10 171.35 3knf s VAL 4 N 0.41 4.62 -0.12 2.04 1.01 0.11 -2.41 120.40 126.06 3knf s VAL 4 Ca -0.04 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 3knf s VAL 4 Cb -0.06 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3knf s VAL 4 CO -0.01 -0.25 0.33 -0.63 0.00 0.00 0.00 175.10 174.54 3knf s ILE 5 N 1.56 5.25 -0.09 2.22 1.01 0.10 -1.50 121.20 129.74 3knf s ILE 5 Ca 0.02 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.31 3knf s ILE 5 Cb -0.19 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.65 3knf s ILE 5 CO 0.07 0.44 -0.04 -1.10 0.00 0.00 0.00 174.94 174.31 3knf s GLN 6 N 0.05 1.06 0.28 2.79 -0.21 -0.96 -1.10 119.66 121.56 3knf s GLN 6 Ca 0.19 -0.08 -0.29 0.00 0.02 0.00 0.00 55.36 55.20 3knf s GLN 6 Cb -0.14 -1.29 -0.10 0.00 1.00 0.00 0.00 33.01 32.48 3knf s GLN 6 CO 0.07 -0.29 1.38 0.50 -2.12 0.00 0.00 175.29 174.83 3knf s ARG 7 N 1.84 4.30 0.14 2.91 3.52 -0.79 -2.87 118.95 128.01 3knf s ARG 7 Ca 0.05 2.26 -0.07 0.00 -0.13 0.00 0.00 55.73 57.85 3knf s ARG 7 Cb -0.12 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3knf s ARG 7 CO -0.07 -0.33 0.21 0.14 -0.81 0.00 0.00 175.30 174.44 3knf s VAL 8 N -0.45 0.09 -0.37 7.11 -7.23 -0.45 -2.19 120.40 116.91 3knf s VAL 8 Ca 0.55 -1.50 0.19 0.00 -1.81 0.00 0.00 61.98 59.42 3knf s VAL 8 Cb -0.41 -1.82 -0.27 0.00 0.56 0.00 0.00 36.38 34.45 3knf s VAL 8 CO 0.47 -0.40 0.58 0.29 -0.31 0.00 0.00 175.10 175.73 3knf n LYS 9 N -0.16 0.65 -4.00 4.82 4.76 0.34 -2.19 118.16 122.38 3knf n LYS 9 Ca -0.08 -0.11 0.03 0.00 -2.87 0.00 0.00 58.31 55.28 3knf n LYS 9 Cb 0.63 -1.44 0.01 0.00 -1.84 0.00 0.00 35.03 32.39 3knf n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knf n GLY 10 N 1.41 0.18 3.64 0.72 0.00 -1.25 -2.14 105.19 107.75 3knf n GLY 10 Ca -0.01 -1.04 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.10 -0.36 4.61 0.00 -0.98 -2.51 121.76 118.42 3knf s ALA 11 Ca 0.31 1.87 0.02 0.00 0.00 0.00 0.00 51.96 54.16 3knf s ALA 11 Cb -0.01 -1.58 0.11 0.00 0.00 0.00 0.00 23.12 21.64 3knf s ALA 11 CO -0.01 -0.21 0.11 0.42 0.00 0.00 0.00 175.76 176.07 3knf s ILE 12 N 0.33 1.81 0.11 0.00 1.09 -0.79 -1.85 121.20 121.90 3knf s ILE 12 Ca 0.03 -2.21 -0.30 0.00 -1.10 0.00 0.00 60.65 57.06 3knf s ILE 12 Cb -0.05 -2.32 -0.07 0.00 -1.06 0.00 0.00 42.46 38.96 3knf s ILE 12 CO -0.10 -0.68 1.23 -0.22 -0.10 0.00 0.00 174.94 175.07 3knf s LEU 13 N 0.90 4.40 0.02 2.97 0.20 0.98 -2.85 118.68 125.30 3knf s LEU 13 Ca 0.12 2.14 0.01 0.00 0.69 0.00 0.00 54.13 57.09 3knf s LEU 13 Cb -0.20 -3.59 -0.02 0.00 -0.43 0.00 0.00 46.19 41.95 3knf s LEU 13 CO -0.11 -0.47 -0.05 -0.44 -0.29 0.00 0.00 176.35 174.99 3knf s SER 14 N 0.77 0.52 0.02 3.68 0.01 -0.12 -1.61 113.70 116.96 3knf s SER 14 Ca 0.58 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.46 3knf s SER 14 Cb -0.32 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 3knf s SER 14 CO 0.32 -0.19 -0.15 0.68 0.41 0.00 0.00 173.24 174.30 3knf s VAL 15 N -1.15 1.19 0.26 3.43 -7.23 0.12 -0.59 120.40 116.44 3knf s VAL 15 Ca -0.10 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.90 3knf s VAL 15 Cb -0.08 -1.04 -0.11 0.00 0.56 0.00 0.00 36.38 35.71 3knf s VAL 15 CO -0.00 0.16 1.61 -0.13 -0.31 0.00 0.00 175.10 176.43 3knf s ARG 16 N -0.80 4.14 0.00 4.82 0.52 -1.26 -0.62 118.95 125.74 3knf s ARG 16 Ca 0.04 2.55 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 3knf s ARG 16 Cb -0.07 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.35 3knf s ARG 16 CO 0.01 -0.64 0.00 -0.85 0.02 0.00 0.00 175.30 173.83 3knf n GLU 26 N 2.79 0.00 -3.66 3.54 -0.00 -1.26 -4.93 120.64 117.12 3knf n GLU 26 Ca 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.19 3knf n GLU 26 Cb 0.37 -0.96 -0.08 0.00 -0.00 0.00 0.00 31.44 30.77 3knf n GLU 26 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3knf s LEU 27 N -0.15 -0.65 0.04 -1.84 0.20 -1.26 -5.18 118.68 109.83 3knf s LEU 27 Ca 0.00 1.22 0.02 0.00 0.69 0.00 0.00 54.13 56.06 3knf s LEU 27 Cb 0.00 1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 47.57 3knf s LEU 27 CO 0.00 -0.22 -0.06 -1.83 -0.29 0.00 0.00 176.35 173.95 3knf s GLU 28 N 1.98 0.46 0.17 1.98 -1.05 0.21 -4.93 118.70 117.52 3knf s GLU 28 Ca -0.07 -0.71 -0.19 0.00 -0.15 0.00 0.00 54.97 53.85 3knf s GLU 28 Cb -0.09 -0.18 -0.08 0.00 -0.44 0.00 0.00 34.13 33.35 3knf s GLU 28 CO -0.16 0.02 0.67 0.42 0.95 0.00 0.00 175.26 177.16 3knf s ILE 29 N -1.39 4.63 0.00 1.83 1.01 -1.26 0.16 121.20 126.18 3knf s ILE 29 Ca -0.12 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.77 3knf s ILE 29 Cb -0.10 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3knf s ILE 29 CO -0.00 0.32 0.00 2.30 0.00 0.00 0.00 174.94 177.56 3knf n ILE 30 N 1.04 0.00 -4.26 2.92 -5.35 -0.64 -4.91 119.36 108.17 3knf n ILE 30 Ca -0.05 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.26 3knf n ILE 30 Cb 0.51 -0.60 -0.13 0.00 -1.74 0.00 0.00 39.64 37.67 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 -2.21 1.14 -0.22 7.28 0.01 -1.15 -5.03 113.70 113.54 3knf s SER 31 Ca 0.00 -0.34 -0.06 0.00 1.31 0.00 0.00 55.95 56.86 3knf s SER 31 Cb 0.00 -0.07 0.10 0.00 0.21 0.00 0.00 66.02 66.26 3knf s SER 31 CO 0.00 0.01 0.44 -0.70 0.41 0.00 0.00 173.24 173.39 3knf s GLU 32 N -0.82 0.35 0.35 12.44 2.12 -1.26 -0.02 118.70 131.87 3knf s GLU 32 Ca -0.00 1.00 0.07 0.00 0.36 0.00 0.00 54.97 56.39 3knf s GLU 32 Cb -0.06 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 3knf s GLU 32 CO 0.00 -0.31 0.44 0.96 -0.54 0.00 0.00 175.26 175.81 3knf s ILE 33 N 2.63 3.73 0.00 -3.70 -4.36 -0.77 -4.93 121.20 113.81 3knf s ILE 33 Ca 0.01 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 3knf s ILE 33 Cb -0.13 -3.28 0.00 0.00 1.25 0.00 0.00 42.46 40.30 3knf s ILE 33 CO -0.14 -0.13 0.00 0.29 0.24 0.00 0.00 174.94 175.20 3knf n LYS 34 N -1.61 3.56 -1.28 0.37 4.76 -1.26 -2.31 118.16 120.39 3knf n LYS 34 Ca 0.01 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 54.99 3knf n LYS 34 Cb 0.59 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.74 3knf n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3knf n ASN 35 N 0.00 -0.81 0.00 4.39 3.02 -0.91 -3.93 115.26 117.03 3knf n ASN 35 Ca 0.00 1.02 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 3knf n ASN 35 Cb 0.00 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 3knf n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3knf n GLY 36 N 1.66 0.40 3.58 7.41 0.00 -0.93 -2.20 105.19 115.11 3knf n GLY 36 Ca 0.17 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 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 3.07 -0.15 0.99 1.43 0.60 -1.34 118.68 123.27 3knf s LEU 37 Ca 0.00 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3knf s LEU 37 Cb 0.00 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3knf s LEU 37 CO 0.00 0.24 -0.09 -0.51 0.23 0.00 0.00 176.35 176.22 3knf s ILE 38 N -1.07 3.32 -0.25 -0.59 2.07 -1.14 -0.65 121.20 122.89 3knf s ILE 38 Ca 0.19 -0.55 0.01 0.00 -1.41 0.00 0.00 60.65 58.88 3knf s ILE 38 Cb -0.11 -2.43 0.04 0.00 0.13 0.00 0.00 42.46 40.09 3knf s ILE 38 CO 0.10 0.50 -0.09 0.00 -1.91 0.00 0.00 174.94 173.54 3knf s PHE 40 N 1.22 2.73 -0.18 0.00 0.08 -0.56 -1.17 117.98 120.09 3knf s PHE 40 Ca -0.04 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.55 3knf s PHE 40 Cb -0.18 -4.19 0.00 0.00 -0.57 0.00 0.00 43.02 38.08 3knf s PHE 40 CO -0.05 -1.54 -0.14 -1.17 -0.10 0.00 0.00 175.22 172.21 3knf s LEU 41 N 3.91 2.48 -0.11 -0.37 1.98 -0.63 0.09 118.68 126.04 3knf s LEU 41 Ca 0.23 -0.50 0.04 0.00 -2.89 0.00 0.00 54.13 51.01 3knf s LEU 41 Cb -0.16 -1.58 0.00 0.00 0.66 0.00 0.00 46.19 45.11 3knf s LEU 41 CO 0.12 0.04 -0.23 -0.83 -1.89 0.00 0.00 176.35 173.56 3knf s GLY 42 N 1.09 1.34 0.06 7.98 0.00 0.50 -0.54 107.32 117.74 3knf s GLY 42 Ca -0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.54 3knf s GLY 42 CO -0.04 -0.28 0.58 -0.42 0.00 0.00 0.00 173.10 172.94 3knf s ILE 43 N 0.42 4.77 0.15 0.90 -1.09 -1.26 -0.70 121.20 124.38 3knf s ILE 43 Ca -0.17 1.23 -0.08 0.00 -2.23 0.00 0.00 60.65 59.40 3knf s ILE 43 Cb -0.18 -3.91 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 3knf s ILE 43 CO 0.07 0.52 0.43 -2.28 -1.23 0.00 0.00 174.94 172.45 3knf s HIS 44 N -0.90 3.49 -0.51 3.97 5.65 -1.26 -1.95 115.29 123.79 3knf s HIS 44 Ca 0.29 0.71 0.02 0.00 0.25 0.00 0.00 55.06 56.33 3knf s HIS 44 Cb -0.19 -2.12 0.11 0.00 -1.18 0.00 0.00 32.58 29.20 3knf s HIS 44 CO 0.19 0.42 0.88 0.36 -0.65 0.00 0.00 174.74 175.93 3knf n LYS 45 N 0.27 0.01 -0.14 2.88 2.85 -0.31 -1.20 118.16 122.52 3knf n LYS 45 Ca -0.03 0.34 0.04 0.00 -1.05 0.00 0.00 58.31 57.61 3knf n LYS 45 Cb 0.52 -1.76 0.06 0.00 -0.65 0.00 0.00 35.03 33.20 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 -1.42 1.42 -4.77 -5.58 3.02 -1.26 -4.83 115.26 101.84 3knf n ASN 46 Ca -0.00 -2.32 -0.40 0.00 -0.03 0.00 0.00 54.58 51.83 3knf n ASN 46 Cb 0.22 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.64 6.23 0.48 6.41 1.01 -0.34 -5.03 116.67 123.79 3knf s ASP 47 Ca 0.13 2.87 0.06 0.00 0.71 0.00 0.00 52.55 56.32 3knf s ASP 47 Cb 0.12 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 3knf s ASP 47 CO 0.01 -0.93 0.29 0.42 0.21 0.00 0.00 175.17 175.17 3knf s THR 48 N -1.18 1.97 0.47 -1.27 -4.23 -1.26 -4.97 115.64 105.17 3knf s THR 48 Ca 0.56 -1.58 0.17 0.00 -1.18 0.00 0.00 61.69 59.67 3knf s THR 48 Cb -0.43 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.09 3knf s THR 48 CO 0.56 0.00 2.05 -0.25 -0.54 0.00 0.00 174.62 176.45 3knf h TRP 49 N 1.06 0.00 -0.25 3.99 -0.00 -2.00 -1.63 115.95 117.13 3knf h TRP 49 Ca -0.40 0.00 0.05 0.00 -0.00 0.00 0.00 58.89 58.54 3knf h TRP 49 Cb 1.28 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.40 3knf h TRP 49 CO 0.85 0.12 -0.05 0.93 -0.00 0.00 0.00 178.44 180.29 3knf h GLU 50 N 0.00 0.01 0.01 2.65 4.39 -1.98 0.31 114.58 119.98 3knf h GLU 50 Ca -0.00 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3knf h GLU 50 Cb 0.23 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3knf h GLU 50 CO 0.02 0.01 -0.22 -0.44 -1.16 0.00 0.00 179.01 177.21 3knf h ASP 51 N 0.01 -0.68 -0.63 1.42 3.32 -1.67 -2.47 116.42 115.72 3knf h ASP 51 Ca 0.12 0.07 0.13 0.00 0.02 0.00 0.00 57.03 57.38 3knf h ASP 51 Cb 0.18 0.26 -0.10 0.00 0.22 0.00 0.00 39.33 39.88 3knf h ASP 51 CO -0.25 -0.22 0.02 0.00 -1.72 0.00 0.00 179.24 177.07 3knf h ALA 52 N -1.08 0.64 -1.11 3.45 0.00 -1.41 0.17 119.26 119.91 3knf h ALA 52 Ca 0.00 0.18 0.33 0.00 0.00 0.00 0.00 54.91 55.43 3knf h ALA 52 Cb 0.30 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 3knf h ALA 52 CO -0.14 -0.38 0.70 1.25 0.00 0.00 0.00 179.25 180.67 3knf h LEU 53 N 0.14 0.41 0.38 0.00 5.85 0.06 0.76 115.31 122.90 3knf h LEU 53 Ca 0.33 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.16 3knf h LEU 53 Cb 0.54 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3knf h LEU 53 CO -0.52 -0.05 -0.18 0.22 -0.34 0.00 0.00 178.44 177.57 3knf h TYR 54 N 0.29 -0.47 -1.12 1.25 3.20 -0.28 -2.00 116.97 117.84 3knf h TYR 54 Ca 0.70 -0.01 0.35 0.00 3.14 0.00 0.00 58.73 62.91 3knf h TYR 54 Cb 1.86 0.16 -0.13 0.00 1.54 0.00 0.00 36.73 40.16 3knf h TYR 54 CO -0.01 -0.29 0.69 0.82 -1.64 0.00 0.00 178.16 177.73 3knf h ILE 55 N -0.96 0.28 0.41 1.81 1.08 -0.84 0.20 117.51 119.49 3knf h ILE 55 Ca -0.05 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 3knf h ILE 55 Cb 0.39 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 3knf h ILE 55 CO 0.08 0.05 -0.20 0.40 -0.69 0.00 0.00 178.15 177.79 3knf h ILE 56 N 0.25 0.00 -0.88 -0.67 5.03 -0.90 -0.51 117.51 119.84 3knf h ILE 56 Ca 0.73 -0.29 0.16 0.00 -0.12 0.00 0.00 64.86 65.34 3knf h ILE 56 Cb 1.96 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 35.59 3knf h ILE 56 CO -0.47 0.00 -0.27 -1.14 -0.68 0.00 0.00 178.15 175.59 3knf n ARG 57 N -4.30 -0.13 0.38 2.37 0.63 0.33 -0.57 116.66 115.38 3knf n ARG 57 Ca -0.07 1.36 -0.17 0.00 -0.92 0.00 0.00 57.85 58.06 3knf n ARG 57 Cb 0.22 -2.03 -0.08 0.00 0.45 0.00 0.00 32.46 31.02 3knf n ARG 57 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3knf h LYS 58 N 0.00 -0.94 -1.01 -0.14 1.79 -0.74 -0.46 116.57 115.07 3knf h LYS 58 Ca 0.38 0.06 0.24 0.00 -2.18 0.00 0.00 60.65 59.16 3knf h LYS 58 Cb 0.60 0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 31.37 3knf h LYS 58 CO -0.89 -0.60 0.65 0.00 -1.08 0.00 0.00 179.45 177.52 3knf h LEU 60 N 0.44 0.00 0.00 0.00 3.38 -0.56 -3.39 115.31 115.18 3knf h LEU 60 Ca 0.57 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3knf h LEU 60 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3knf h LEU 60 CO -0.28 0.01 -0.29 0.59 0.09 0.00 0.00 178.44 178.57 3knf n ASN 61 N -2.75 1.44 -4.55 -0.43 3.02 -0.20 -4.19 115.26 107.60 3knf n ASN 61 Ca 0.03 -0.33 -0.48 0.00 -0.03 0.00 0.00 54.58 53.76 3knf n ASN 61 Cb 0.52 0.95 -0.05 0.00 -0.61 0.00 0.00 39.78 40.58 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 -1.09 2.73 -4.56 3.41 4.77 0.64 -4.70 117.00 118.20 3knf n LEU 62 Ca 0.00 0.51 -0.34 0.00 -0.03 0.00 0.00 56.01 56.15 3knf n LEU 62 Cb 0.00 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 39.69 3knf n LEU 62 CO 0.00 -0.56 1.41 -0.13 -1.33 0.00 0.00 177.39 176.78 3knf s ARG 63 N 5.69 3.05 0.00 3.23 0.52 -1.26 -4.26 118.95 125.93 3knf s ARG 63 Ca 1.03 -0.66 0.18 0.00 -0.52 0.00 0.00 55.73 55.76 3knf s ARG 63 Cb -0.69 -5.17 0.14 0.00 0.52 0.00 0.00 34.95 29.75 3knf s ARG 63 CO 0.47 -2.79 1.07 1.28 0.02 0.00 0.00 175.30 175.34 3knf n LEU 64 N 11.48 2.49 -4.89 2.53 4.77 0.26 -3.36 117.00 130.28 3knf n LEU 64 Ca 0.36 -1.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.12 3knf n LEU 64 Cb 0.49 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3knf n LEU 64 CO 0.63 0.44 -0.05 0.26 -1.33 0.00 0.00 177.39 177.34 3knf s TRP 65 N -1.48 3.02 0.26 -1.77 0.51 0.37 -4.75 118.94 115.10 3knf s TRP 65 Ca 0.21 -0.24 -0.04 0.00 -2.12 0.00 0.00 56.10 53.91 3knf s TRP 65 Cb 0.15 -1.78 -0.05 0.00 -0.81 0.00 0.00 33.47 30.98 3knf s TRP 65 CO 0.22 0.19 0.50 -0.80 -0.51 0.00 0.00 176.95 176.55 3knf s ASN 66 N -4.02 6.43 -0.36 2.95 0.01 -1.26 -0.96 114.94 117.72 3knf s ASN 66 Ca 0.40 0.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.16 3knf s ASN 66 Cb -0.07 -2.10 0.13 0.00 0.41 0.00 0.00 41.25 39.62 3knf s ASN 66 CO 0.28 -0.14 0.19 0.21 -1.51 0.00 0.00 177.10 176.13 3knf s ASN 67 N -3.15 3.42 0.00 -1.22 2.47 -1.13 -4.81 114.94 110.52 3knf s ASN 67 Ca 0.42 -2.12 0.00 0.00 0.42 0.00 0.00 52.86 51.58 3knf s ASN 67 Cb -0.11 -0.66 0.00 0.00 -1.45 0.00 0.00 41.25 39.03 3knf s ASN 67 CO 0.29 -0.33 0.00 -0.67 -3.72 0.00 0.00 177.10 172.67 3knf n ASP 68 N 4.17 0.00 -0.66 -4.21 2.03 -1.26 -3.46 116.55 113.17 3knf n ASP 68 Ca 0.06 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.32 3knf n ASP 68 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 3knf n ASP 68 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3knf n ASN 69 N 0.00 -2.29 -3.94 1.67 0.23 -1.26 -5.11 115.26 104.55 3knf n ASN 69 Ca 0.00 -0.02 -0.10 0.00 -0.53 0.00 0.00 54.58 53.93 3knf n ASN 69 Cb 0.00 -1.58 -0.12 0.00 -2.08 0.00 0.00 39.78 36.00 3knf n ASN 69 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3knf s LYS 70 N -4.38 0.20 0.20 -3.83 1.02 -1.22 -5.16 119.74 106.57 3knf s LYS 70 Ca 0.02 -0.38 0.06 0.00 0.02 0.00 0.00 55.97 55.69 3knf s LYS 70 Cb -0.01 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 3knf s LYS 70 CO 0.02 -0.03 0.17 0.95 -0.92 0.00 0.00 175.35 175.53 3knf s THR 71 N -0.91 4.51 -0.61 2.17 -4.23 -1.26 -2.85 115.64 112.45 3knf s THR 71 Ca -0.10 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.22 3knf s THR 71 Cb -0.06 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.43 3knf s THR 71 CO -0.01 -0.20 0.45 0.79 -0.54 0.00 0.00 174.62 175.12 3knf n TRP 72 N -0.67 -1.53 0.00 3.99 7.02 -1.21 -4.84 117.44 120.20 3knf n TRP 72 Ca -0.08 0.63 0.00 0.00 -1.02 0.00 0.00 57.50 57.03 3knf n TRP 72 Cb 0.56 -2.03 0.00 0.00 -2.42 0.00 0.00 31.31 27.42 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 -1.79 2.64 -4.43 -0.99 2.03 -0.13 -4.84 116.55 109.04 3knf n ASP 73 Ca -0.24 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.79 3knf n ASP 73 Cb 0.52 0.20 -0.12 0.00 -0.72 0.00 0.00 41.12 41.00 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 -1.56 1.53 0.36 -0.67 -0.14 -0.90 -4.86 119.74 113.49 3knf s LYS 74 Ca 0.00 -1.43 0.09 0.00 -1.36 0.00 0.00 55.97 53.27 3knf s LYS 74 Cb 0.00 -1.90 -0.07 0.00 -1.68 0.00 0.00 37.83 34.18 3knf s LYS 74 CO 0.00 0.42 -0.05 0.54 -0.76 0.00 0.00 175.35 175.50 3knf s ASN 75 N -2.44 3.83 0.30 2.83 2.20 -1.26 0.91 114.94 121.30 3knf s ASN 75 Ca 0.19 -1.22 0.14 0.00 -0.94 0.00 0.00 52.86 51.03 3knf s ASN 75 Cb -0.09 -0.38 1.00 0.00 -2.00 0.00 0.00 41.25 39.78 3knf s ASN 75 CO 0.09 -0.27 1.31 1.33 -2.94 0.00 0.00 177.10 176.61 3knf n VAL 76 N -0.86 -0.35 0.01 3.54 0.24 -1.26 -0.72 118.33 118.93 3knf n VAL 76 Ca -0.05 1.72 -0.18 0.00 -2.04 0.00 0.00 64.34 63.79 3knf n VAL 76 Cb 0.64 -2.72 -0.14 0.00 -1.47 0.00 0.00 33.84 30.15 3knf n VAL 76 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3knf h LYS 77 N 0.00 0.20 -0.81 7.34 1.57 -1.87 -0.21 116.57 122.79 3knf h LYS 77 Ca 0.66 -0.34 0.15 0.00 -1.87 0.00 0.00 60.65 59.25 3knf h LYS 77 Cb 1.67 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.95 3knf h LYS 77 CO -0.67 1.16 -0.26 -0.44 -0.57 0.00 0.00 179.45 178.67 3knf h ASP 78 N -0.58 -0.96 -0.43 0.86 3.32 -1.26 0.72 116.42 118.08 3knf h ASP 78 Ca -0.11 0.26 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 3knf h ASP 78 Cb 1.44 0.57 -0.11 0.00 0.22 0.00 0.00 39.33 41.45 3knf h ASP 78 CO 0.09 -0.28 0.23 0.18 -1.72 0.00 0.00 179.24 177.74 3knf n LEU 79 N -5.51 4.42 -1.78 1.55 4.77 -1.11 -4.90 117.00 114.44 3knf n LEU 79 Ca 0.10 -2.30 -0.07 0.00 -0.03 0.00 0.00 56.01 53.71 3knf n LEU 79 Cb 0.41 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3knf n LEU 79 CO -0.05 0.67 -0.08 0.59 -1.33 0.00 0.00 177.39 177.19 3knf n ASN 80 N -0.13 -2.32 -2.58 -1.43 3.02 0.25 -4.93 115.26 107.15 3knf n ASN 80 Ca 0.25 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 3knf n ASN 80 Cb 0.98 -2.21 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 3knf n ASN 80 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3knf n TYR 81 N -2.20 -2.18 -4.14 3.10 4.01 -0.09 -5.01 117.16 110.65 3knf n TYR 81 Ca -0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.57 3knf n TYR 81 Cb 0.39 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.72 0.83 0.03 -0.72 2.02 -0.93 -4.78 118.70 113.43 3knf s GLU 82 Ca 0.00 -1.37 0.09 0.00 0.02 0.00 0.00 54.97 53.71 3knf s GLU 82 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 3knf s GLU 82 CO 0.00 -0.19 -0.26 -0.51 0.02 0.00 0.00 175.26 174.33 3knf s LEU 83 N -3.02 2.15 -0.32 1.80 1.02 -0.43 -0.29 118.68 119.58 3knf s LEU 83 Ca 0.18 -0.56 0.04 0.00 0.02 0.00 0.00 54.13 53.81 3knf s LEU 83 Cb 0.07 -1.25 0.09 0.00 0.02 0.00 0.00 46.19 45.12 3knf s LEU 83 CO -0.02 0.26 0.01 -0.22 0.02 0.00 0.00 176.35 176.39 3knf s LEU 84 N -1.11 4.35 -0.03 1.79 2.96 0.17 -0.53 118.68 126.28 3knf s LEU 84 Ca 0.11 -1.93 -0.18 0.00 -0.22 0.00 0.00 54.13 51.90 3knf s LEU 84 Cb -0.10 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 3knf s LEU 84 CO 0.01 -0.33 0.51 -0.63 -1.32 0.00 0.00 176.35 174.60 3knf s ILE 85 N 0.97 5.00 -0.09 6.68 1.09 0.29 -1.00 121.20 134.14 3knf s ILE 85 Ca 0.05 1.06 -0.04 0.00 -1.10 0.00 0.00 60.65 60.62 3knf s ILE 85 Cb -0.19 -3.84 0.05 0.00 -1.06 0.00 0.00 42.46 37.42 3knf s ILE 85 CO -0.07 0.45 0.18 -0.69 -0.10 0.00 0.00 174.94 174.70 3knf s VAL 86 N -0.27 -0.25 0.20 2.92 1.01 -0.32 -3.53 120.40 120.16 3knf s VAL 86 Ca 0.27 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 3knf s VAL 86 Cb -0.17 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.80 3knf s VAL 86 CO 0.14 0.13 1.37 -0.55 0.00 0.00 0.00 175.10 176.19 3knf s SER 87 N 2.15 6.81 -0.45 3.32 0.15 -1.26 -1.61 113.70 122.81 3knf s SER 87 Ca 0.01 2.47 0.05 0.00 0.70 0.00 0.00 55.95 59.18 3knf s SER 87 Cb -0.12 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.76 3knf s SER 87 CO -0.06 -0.60 0.38 0.00 1.20 0.00 0.00 173.24 174.16 3knf n GLN 88 N 2.78 0.46 0.02 5.44 1.13 0.29 -4.85 117.38 122.65 3knf n GLN 88 Ca 0.07 -3.35 0.22 0.00 -1.94 0.00 0.00 57.00 52.00 3knf n GLN 88 Cb 0.42 -1.70 0.73 0.00 0.11 0.00 0.00 30.24 29.79 3knf n GLN 88 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3knf h PHE 89 N 5.41 0.00 0.00 1.08 -5.15 -1.94 -2.08 116.94 114.26 3knf h PHE 89 Ca 0.23 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.00 3knf h PHE 89 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.05 3knf h PHE 89 CO 0.33 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 176.89 3knf n THR 90 N -3.91 0.99 0.36 0.88 -2.24 -1.26 -3.14 114.28 105.95 3knf n THR 90 Ca 0.10 0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.27 3knf n THR 90 Cb 0.71 -1.03 0.55 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.00 3.22 3.38 -1.79 -2.64 115.31 117.49 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3knf h LEU 91 CO 0.00 0.00 -1.53 0.49 0.09 0.00 0.00 178.44 177.49 3knf n PHE 92 N -2.61 0.02 -1.35 1.13 3.72 -1.19 -4.89 117.46 112.29 3knf n PHE 92 Ca 0.02 0.01 -0.53 0.00 -0.05 0.00 0.00 57.45 56.90 3knf n PHE 92 Cb 0.29 -0.29 -0.12 0.00 -0.94 0.00 0.00 39.48 38.41 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 1.36 -0.20 3.77 1.37 0.00 -1.00 -4.72 105.19 105.78 3knf n GLY 93 Ca -0.00 1.11 -0.38 0.00 0.00 0.00 0.00 46.02 46.74 3knf n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knf s ASN 94 N 7.22 6.13 0.00 1.61 2.20 -1.22 -4.87 114.94 126.00 3knf s ASN 94 Ca 1.24 2.43 0.00 0.00 -0.94 0.00 0.00 52.86 55.59 3knf s ASN 94 Cb -1.34 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 35.30 3knf s ASN 94 CO 0.58 -0.95 0.38 0.35 -2.94 0.00 0.00 177.10 174.51 3knf n THR 95 N -0.37 0.00 -0.14 0.54 -2.24 -1.26 -3.70 114.28 107.12 3knf n THR 95 Ca 0.07 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3knf n THR 95 Cb 0.47 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.00 0.82 -0.00 -0.78 6.56 -1.91 -3.40 116.57 117.86 3knf h LYS 96 Ca 0.00 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 3knf h LYS 96 Cb 0.06 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.68 3knf h LYS 96 CO 0.00 0.97 -0.00 0.87 -2.06 0.00 0.00 179.45 179.23 3knf h LYS 97 N 0.63 -0.00 0.00 3.15 1.57 -1.88 -3.47 116.57 116.57 3knf h LYS 97 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3knf h LYS 97 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3knf h LYS 97 CO 0.05 -0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 3knf n GLY 98 N -1.00 7.66 1.60 3.86 0.00 -1.26 -5.01 105.19 111.03 3knf n GLY 98 Ca -0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.02 4.00 -4.20 1.61 3.02 -1.26 -4.81 115.26 113.60 3knf n ASN 99 Ca 0.00 -2.80 -0.25 0.00 -0.03 0.00 0.00 54.58 51.50 3knf n ASN 99 Cb 0.00 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 38.36 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 -2.23 1.40 0.36 3.52 2.20 -1.26 -5.16 119.74 118.58 3knf s LYS 100 Ca 0.38 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 55.28 3knf s LYS 100 Cb 0.30 -1.42 -0.01 0.00 -1.51 0.00 0.00 37.83 35.20 3knf s LYS 100 CO 0.10 0.38 0.51 -1.25 -0.36 0.00 0.00 175.35 174.72 3knf s PRO 101 N -0.76 3.09 -0.10 4.03 0.04 -1.26 -4.82 135.00 135.22 3knf s PRO 101 Ca 0.07 -0.95 -0.05 0.00 0.04 0.00 0.00 61.00 60.11 3knf s PRO 101 Cb -0.08 -2.78 0.04 0.00 0.04 0.00 0.00 34.50 31.73 3knf s PRO 101 CO 0.00 -0.01 0.23 0.16 0.04 0.00 0.00 177.00 177.42 3knf s ASP 102 N -4.19 -0.22 -0.87 6.66 1.47 -1.24 -4.98 116.67 113.29 3knf s ASP 102 Ca 0.46 0.48 0.01 0.00 1.18 0.00 0.00 52.55 54.68 3knf s ASP 102 Cb -0.10 0.36 0.33 0.00 -0.34 0.00 0.00 42.92 43.17 3knf s ASP 102 CO 0.32 -0.16 1.50 0.49 0.68 0.00 0.00 175.17 178.00 3knf n PHE 103 N 4.24 3.22 0.02 2.11 3.72 -1.26 -3.43 117.46 126.09 3knf n PHE 103 Ca -0.25 -3.08 -0.11 0.00 -0.05 0.00 0.00 57.45 53.96 3knf n PHE 103 Cb 0.53 -0.94 -0.14 0.00 -0.94 0.00 0.00 39.48 37.99 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 3.80 0.12 -0.79 1.38 3.86 -1.94 -3.33 115.15 118.26 3knf h HIS 104 Ca 0.39 -0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.57 3knf h HIS 104 Cb 0.39 -0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 3knf h HIS 104 CO 1.15 1.13 0.47 -0.07 0.86 0.00 0.00 177.93 181.47 3knf h LEU 105 N 0.02 0.73 -9.80 2.43 -0.00 -1.84 -3.43 115.31 103.41 3knf h LEU 105 Ca -0.22 0.02 -0.54 0.00 -0.00 0.00 0.00 57.88 57.14 3knf h LEU 105 Cb 1.96 -0.12 0.09 0.00 -0.00 0.00 0.00 40.66 42.58 3knf h LEU 105 CO 0.11 0.46 0.82 0.00 -0.00 0.00 0.00 178.44 179.83 3knf n ALA 106 N -2.35 2.34 -1.10 1.53 0.00 -1.25 -1.17 120.51 118.50 3knf n ALA 106 Ca 0.11 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 3knf n ALA 106 Cb 0.18 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.27 3knf n ALA 106 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3knf n LYS 107 N 1.78 0.07 -1.68 0.00 4.81 -0.82 -4.41 118.16 117.91 3knf n LYS 107 Ca 0.07 0.05 -0.47 0.00 -0.87 0.00 0.00 58.31 57.09 3knf n LYS 107 Cb 0.37 -1.51 -0.04 0.00 0.02 0.00 0.00 35.03 33.86 3knf n LYS 107 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3knf n GLU 108 N 0.18 2.20 -0.47 1.64 0.00 -1.26 -4.81 120.64 118.12 3knf n GLU 108 Ca 0.06 0.80 -0.04 0.00 0.00 0.00 0.00 57.16 57.98 3knf n GLU 108 Cb 0.52 -2.62 -0.06 0.00 0.00 0.00 0.00 31.44 29.28 3knf n GLU 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3knf n PRO 109 N 5.26 0.94 0.08 5.31 -0.02 -1.26 -2.39 135.00 142.91 3knf n PRO 109 Ca 0.20 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3knf n PRO 109 Cb 0.30 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3knf n PRO 109 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3knf n ASN 110 N 2.24 -0.24 0.05 2.55 3.02 -1.26 -4.74 115.26 116.89 3knf n ASN 110 Ca 0.14 0.27 -0.11 0.00 -0.03 0.00 0.00 54.58 54.85 3knf n ASN 110 Cb 0.44 0.35 0.01 0.00 -0.61 0.00 0.00 39.78 39.97 3knf n ASN 110 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3knf h GLU 111 N 0.00 0.41 -0.84 3.52 5.08 -1.96 -3.00 114.58 117.79 3knf h GLU 111 Ca 0.00 -0.36 0.21 0.00 -1.00 0.00 0.00 59.36 58.22 3knf h GLU 111 Cb 0.00 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.19 3knf h GLU 111 CO 0.00 1.01 0.16 0.00 -1.00 0.00 0.00 179.01 179.18 3knf h ALA 112 N 0.89 1.12 -0.78 3.43 0.00 -1.79 0.40 119.26 122.53 3knf h ALA 112 Ca -0.04 0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.20 3knf h ALA 112 Cb 1.37 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 19.43 3knf h ALA 112 CO 0.13 -0.45 0.41 1.25 0.00 0.00 0.00 179.25 180.59 3knf h LEU 113 N 0.18 0.54 -0.90 0.00 5.85 -1.80 0.34 115.31 119.52 3knf h LEU 113 Ca 0.51 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 59.18 3knf h LEU 113 Cb 0.98 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3knf h LEU 113 CO -0.66 0.29 -0.48 0.40 -0.34 0.00 0.00 178.44 177.65 3knf h ILE 114 N 0.66 1.34 0.02 4.05 2.04 -0.35 -0.13 117.51 125.15 3knf h ILE 114 Ca 0.39 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 3knf h ILE 114 Cb 0.44 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3knf h ILE 114 CO -0.29 0.50 -0.01 0.15 0.00 0.00 0.00 178.15 178.50 3knf h PHE 115 N 0.13 -0.02 -0.40 1.37 3.04 0.34 -1.85 116.94 119.54 3knf h PHE 115 Ca 0.01 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.03 3knf h PHE 115 Cb 0.90 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.35 3knf h PHE 115 CO 0.01 0.19 -0.06 -0.92 -2.02 0.00 0.00 178.31 175.52 3knf h TYR 116 N -0.24 -0.13 -0.08 0.41 5.03 0.14 0.14 116.97 122.24 3knf h TYR 116 Ca -0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 3knf h TYR 116 Cb 0.23 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 3knf h TYR 116 CO -0.00 -0.14 -0.15 -0.91 -1.32 0.00 0.00 178.16 175.64 3knf h ASN 117 N 0.04 0.11 -0.75 -2.11 2.35 -0.97 0.79 115.58 115.05 3knf h ASN 117 Ca 0.19 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3knf h ASN 117 Cb 0.29 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3knf h ASN 117 CO -0.38 0.28 0.23 0.11 -1.65 0.00 0.00 177.43 176.01 3knf h LYS 118 N 0.11 1.17 0.15 0.81 1.57 0.05 -0.67 116.57 119.75 3knf h LYS 118 Ca 0.02 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3knf h LYS 118 Cb 0.34 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3knf h LYS 118 CO 0.02 1.00 -0.09 0.82 -0.57 0.00 0.00 179.45 180.62 3knf h ILE 119 N 1.12 0.00 -1.22 1.86 5.03 0.12 0.11 117.51 124.53 3knf h ILE 119 Ca 0.24 0.00 0.35 0.00 -0.12 0.00 0.00 64.86 65.33 3knf h ILE 119 Cb 0.32 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.03 3knf h ILE 119 CO -0.01 0.00 0.83 0.40 -0.68 0.00 0.00 178.15 178.70 3knf h ILE 120 N -0.23 0.37 -0.10 -0.67 1.08 -1.01 0.41 117.51 117.36 3knf h ILE 120 Ca -0.02 -0.05 -0.10 0.00 -0.39 0.00 0.00 64.86 64.30 3knf h ILE 120 Cb 0.18 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 3knf h ILE 120 CO 0.02 0.03 -0.34 -0.78 -0.69 0.00 0.00 178.15 176.39 3knf h ASP 121 N 0.15 0.47 0.06 1.72 1.82 -0.70 -2.51 116.42 117.42 3knf h ASP 121 Ca 0.64 -0.61 -0.11 0.00 -0.39 0.00 0.00 57.03 56.57 3knf h ASP 121 Cb 2.17 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 42.03 3knf h ASP 121 CO -0.17 1.00 -0.34 -0.08 -1.61 0.00 0.00 179.24 178.04 3knf h GLU 122 N -0.03 0.39 -0.77 0.28 4.57 0.22 -2.29 114.58 116.95 3knf h GLU 122 Ca -0.01 -0.17 0.08 0.00 -1.18 0.00 0.00 59.36 58.08 3knf h GLU 122 Cb 0.96 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.47 3knf h GLU 122 CO 0.07 0.69 0.43 0.74 -1.18 0.00 0.00 179.01 179.76 3knf h PHE 123 N 0.34 0.78 0.01 0.92 0.04 -0.32 -2.28 116.94 116.43 3knf h PHE 123 Ca 0.04 0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.64 3knf h PHE 123 Cb 0.76 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 3knf h PHE 123 CO 0.02 0.33 -0.91 0.87 -0.60 0.00 0.00 178.31 178.03 3knf h LYS 124 N 0.74 0.19 0.00 1.51 1.57 -1.09 -2.16 116.57 117.33 3knf h LYS 124 Ca 0.36 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3knf h LYS 124 Cb 0.31 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3knf h LYS 124 CO -0.23 0.97 0.00 1.17 -0.57 0.00 0.00 179.45 180.79 3knf n LYS 125 N -3.63 0.02 -0.09 3.15 4.81 -0.89 -3.45 118.16 118.07 3knf n LYS 125 Ca -0.04 0.29 -0.16 0.00 -0.87 0.00 0.00 58.31 57.54 3knf n LYS 125 Cb 0.83 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.30 3knf n LYS 125 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3knf n GLN 126 N -1.48 0.41 -0.32 1.64 6.02 -1.00 -4.97 117.38 117.69 3knf n GLN 126 Ca 0.03 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3knf n GLN 126 Cb 0.13 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.13 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 -3.38 -1.89 -1.97 1.08 4.19 -0.83 -5.09 117.16 109.27 3knf n TYR 127 Ca -0.33 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.66 3knf n TYR 127 Cb 0.79 0.00 0.15 0.00 0.49 0.00 0.00 39.34 40.77 3knf n TYR 127 CO 0.00 0.00 0.00 0.27 0.91 0.00 0.00 176.86 178.04 3knf n ASN 128 N -1.65 0.37 -0.99 2.98 0.23 -1.26 -4.75 115.26 110.20 3knf n ASN 128 Ca 0.00 -1.54 0.08 0.00 -0.53 0.00 0.00 54.58 52.59 3knf n ASN 128 Cb 0.00 -0.74 0.25 0.00 -2.08 0.00 0.00 39.78 37.22 3knf n ASN 128 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3knf n ASP 129 N -3.47 3.83 -0.33 0.53 3.85 -1.26 -4.16 116.55 115.54 3knf n ASP 129 Ca 0.13 -2.58 0.11 0.00 -0.71 0.00 0.00 54.79 51.75 3knf n ASP 129 Cb 0.47 -0.46 0.03 0.00 -1.35 0.00 0.00 41.12 39.81 3knf n ASP 129 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3knf n ASP 130 N 0.18 1.60 -0.76 -1.12 2.03 -1.26 -4.25 116.55 112.97 3knf n ASP 130 Ca 0.19 -1.26 0.12 0.00 0.52 0.00 0.00 54.79 54.36 3knf n ASP 130 Cb 0.76 0.55 0.09 0.00 -0.72 0.00 0.00 41.12 41.80 3knf n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3knf n LYS 131 N -0.51 1.88 -3.97 -0.67 4.76 -1.26 -4.90 118.16 113.49 3knf n LYS 131 Ca 0.08 -1.53 -0.35 0.00 -2.87 0.00 0.00 58.31 53.64 3knf n LYS 131 Cb 0.42 -1.47 -0.14 0.00 -1.84 0.00 0.00 35.03 32.00 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 -2.17 3.45 0.21 -0.18 -1.09 -1.26 -1.32 121.20 118.83 3knf s ILE 132 Ca 0.25 -0.47 0.11 0.00 -2.23 0.00 0.00 60.65 58.31 3knf s ILE 132 Cb 0.19 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 3knf s ILE 132 CO 0.40 0.43 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.82 3knf s LYS 133 N 1.37 1.75 0.16 2.79 -0.14 0.31 -5.00 119.74 120.98 3knf s LYS 133 Ca 0.04 -1.48 -0.08 0.00 -1.36 0.00 0.00 55.97 53.09 3knf s LYS 133 Cb -0.14 -1.95 -0.01 0.00 -1.68 0.00 0.00 37.83 34.05 3knf s LYS 133 CO -0.02 0.40 0.26 0.96 -0.76 0.00 0.00 175.35 176.19 3knf s ILE 134 N -1.85 0.07 0.00 2.17 -5.25 -1.26 -0.55 121.20 114.53 3knf s ILE 134 Ca 0.24 -1.46 0.00 0.00 -0.99 0.00 0.00 60.65 58.44 3knf s ILE 134 Cb -0.08 -1.89 0.00 0.00 2.95 0.00 0.00 42.46 43.44 3knf s ILE 134 CO 0.13 -0.30 0.00 0.61 -1.79 0.00 0.00 174.94 173.59 3knf n GLY 135 N -0.21 1.83 3.13 6.27 0.00 -1.23 -4.71 105.19 110.27 3knf n GLY 135 Ca -0.07 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 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 3.62 2.28 -0.25 1.61 -0.14 -1.26 -5.04 119.74 120.56 3knf s LYS 136 Ca 0.00 -2.04 -0.34 0.00 -1.36 0.00 0.00 55.97 52.23 3knf s LYS 136 Cb 0.00 -3.70 -0.15 0.00 -1.68 0.00 0.00 37.83 32.29 3knf s LYS 136 CO 0.00 -1.13 1.09 0.34 -0.76 0.00 0.00 175.35 174.89 3knf n PHE 137 N 4.30 1.06 -3.91 3.18 7.35 -1.26 -0.49 117.46 127.69 3knf n PHE 137 Ca 0.00 0.86 -0.27 0.00 -0.76 0.00 0.00 57.45 57.29 3knf n PHE 137 Cb 0.40 -1.68 0.00 0.00 0.35 0.00 0.00 39.48 38.56 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 2.41 -0.32 2.97 7.13 0.00 -1.26 -4.98 105.19 111.14 3knf n GLY 138 Ca 0.21 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.03 1.32 -0.24 1.61 0.02 0.36 -5.09 114.94 108.89 3knf s ASN 139 Ca 0.22 -0.21 -0.42 0.00 -1.02 0.00 0.00 52.86 51.43 3knf s ASN 139 Cb -0.12 -0.56 -0.19 0.00 0.02 0.00 0.00 41.25 40.41 3knf s ASN 139 CO 0.86 0.01 1.46 0.00 0.02 0.00 0.00 177.10 179.45 3knf n TYR 140 N 3.76 1.49 -4.31 2.20 9.36 -1.26 -4.79 117.16 123.61 3knf n TYR 140 Ca -0.23 0.93 -0.20 0.00 3.32 0.00 0.00 57.90 61.73 3knf n TYR 140 Cb 0.52 -2.25 -0.11 0.00 -0.63 0.00 0.00 39.34 36.87 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 1.98 1.21 -0.20 2.98 -1.94 -1.26 -4.55 119.30 117.52 3knf s MET 141 Ca 0.97 -1.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.56 3knf s MET 141 Cb -1.28 -1.13 0.03 0.00 2.01 0.00 0.00 34.83 34.46 3knf s MET 141 CO 0.67 0.21 -0.18 1.21 -0.01 0.00 0.00 175.02 176.93 3knf s ASN 142 N -2.79 3.39 -0.27 3.03 2.47 0.24 -4.98 114.94 116.03 3knf s ASN 142 Ca 0.16 -0.80 0.02 0.00 0.42 0.00 0.00 52.86 52.65 3knf s ASN 142 Cb -0.04 -1.48 0.06 0.00 -1.45 0.00 0.00 41.25 38.34 3knf s ASN 142 CO 0.05 -0.04 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.68 3knf s ILE 143 N 1.26 2.36 -0.94 -5.21 1.09 -1.26 -0.94 121.20 117.56 3knf s ILE 143 Ca 0.02 -1.62 -0.24 0.00 -1.10 0.00 0.00 60.65 57.71 3knf s ILE 143 Cb -0.15 -2.40 0.00 0.00 -1.06 0.00 0.00 42.46 38.85 3knf s ILE 143 CO -0.11 -0.08 1.69 -1.81 -0.10 0.00 0.00 174.94 174.53 3knf s ASP 144 N 1.13 5.80 0.14 3.58 1.01 -1.13 -4.88 116.67 122.32 3knf s ASP 144 Ca -0.07 -0.98 -0.18 0.00 0.71 0.00 0.00 52.55 52.03 3knf s ASP 144 Cb -0.20 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.10 3knf s ASP 144 CO -0.04 -2.13 0.60 -0.69 0.21 0.00 0.00 175.17 173.12 3knf s VAL 145 N 7.55 4.73 -0.68 -1.27 1.01 -1.26 -1.88 120.40 128.61 3knf s VAL 145 Ca 0.58 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.60 3knf s VAL 145 Cb -0.04 -3.84 0.18 0.00 0.00 0.00 0.00 36.38 32.68 3knf s VAL 145 CO -0.03 0.36 0.53 -0.89 0.00 0.00 0.00 175.10 175.07 3knf s THR 146 N -1.33 4.28 0.14 3.92 2.01 -1.04 -4.99 115.64 118.62 3knf s THR 146 Ca 0.36 -2.77 -0.31 0.00 0.31 0.00 0.00 61.69 59.28 3knf s THR 146 Cb -0.17 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.51 3knf s THR 146 CO 0.20 -0.92 1.47 0.20 -0.69 0.00 0.00 174.62 174.89 3knf s ASN 147 N 1.20 6.71 -0.84 3.53 0.01 -1.26 -0.51 114.94 123.78 3knf s ASN 147 Ca 0.17 2.47 -0.05 0.00 -0.71 0.00 0.00 52.86 54.74 3knf s ASN 147 Cb -0.18 -2.59 0.21 0.00 0.41 0.00 0.00 41.25 39.11 3knf s ASN 147 CO -0.05 -0.73 0.74 -0.62 -1.51 0.00 0.00 177.10 174.92 3knf s ASP 148 N 1.09 6.13 0.00 -1.22 2.15 -0.93 -4.81 116.67 119.09 3knf s ASP 148 Ca 0.67 -3.28 0.00 0.00 0.43 0.00 0.00 52.55 50.37 3knf s ASP 148 Cb -0.40 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 3knf s ASP 148 CO 0.31 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 3knf n GLY 149 N 3.01 0.67 3.73 2.66 0.00 -1.26 -4.00 105.19 109.99 3knf n GLY 149 Ca 0.17 -0.17 -0.26 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 2.63 -0.18 1.61 0.04 -1.26 -5.17 135.00 132.66 3knf s PRO 150 Ca 0.00 -1.05 -0.11 0.00 0.04 0.00 0.00 61.00 59.89 3knf s PRO 150 Cb 0.00 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 3knf s PRO 150 CO 0.00 0.45 0.17 0.08 0.04 0.00 0.00 177.00 177.74 3knf s VAL 151 N -1.84 5.39 -0.33 -0.36 1.01 -1.26 -5.01 120.40 118.00 3knf s VAL 151 Ca 0.30 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 3knf s VAL 151 Cb -0.09 -3.50 0.12 0.00 0.00 0.00 0.00 36.38 32.91 3knf s VAL 151 CO 0.21 0.44 0.18 -0.89 0.00 0.00 0.00 175.10 175.04 3knf s THR 152 N 0.27 0.13 0.13 3.92 2.01 -1.26 -1.88 115.64 118.97 3knf s THR 152 Ca 0.10 -1.40 -0.08 0.00 0.31 0.00 0.00 61.69 60.62 3knf s THR 152 Cb -0.12 -1.12 -0.06 0.00 0.01 0.00 0.00 72.50 71.22 3knf s THR 152 CO -0.00 -0.89 0.43 -0.63 -0.69 0.00 0.00 174.62 172.84 3knf s ILE 153 N 1.42 5.07 -0.06 1.82 -1.09 -0.26 -4.86 121.20 123.24 3knf s ILE 153 Ca 0.15 0.35 -0.01 0.00 -2.23 0.00 0.00 60.65 58.90 3knf s ILE 153 Cb -0.20 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 37.07 3knf s ILE 153 CO -0.13 0.14 0.01 -0.47 -1.23 0.00 0.00 174.94 173.26 3knf s TYR 154 N -1.56 0.53 0.03 3.97 6.14 -1.26 0.01 117.35 125.21 3knf s TYR 154 Ca 0.38 -0.07 0.04 0.00 0.64 0.00 0.00 57.07 58.06 3knf s TYR 154 Cb -0.13 -0.72 -0.04 0.00 0.42 0.00 0.00 41.96 41.50 3knf s TYR 154 CO 0.21 -0.29 -0.07 0.42 0.64 0.00 0.00 175.55 176.46 3knf s ILE 155 N 1.96 3.61 -0.34 3.14 -1.09 -1.01 -5.01 121.20 122.47 3knf s ILE 155 Ca 0.04 -0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3knf s ILE 155 Cb -0.12 -2.61 0.11 0.00 -1.58 0.00 0.00 42.46 38.26 3knf s ILE 155 CO -0.05 0.32 0.14 -0.62 -1.23 0.00 0.00 174.94 173.51 3knf s ASP 156 N -1.64 3.74 0.57 3.58 -1.08 -1.26 -2.09 116.67 118.49 3knf s ASP 156 Ca 0.19 -1.85 0.30 0.00 -0.52 0.00 0.00 52.55 50.67 3knf s ASP 156 Cb -0.11 -0.76 1.45 0.00 -1.46 0.00 0.00 42.92 42.04 3knf s ASP 156 CO 0.10 -0.38 1.85 0.71 0.52 0.00 0.00 175.17 177.97 3knf h THR 157 N 6.04 0.40 -0.09 1.71 1.35 -1.73 0.48 112.91 121.07 3knf h THR 157 Ca -0.10 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.62 3knf h THR 157 Cb 0.99 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 3knf h THR 157 CO 0.44 0.00 -0.56 0.45 -0.25 0.00 0.00 175.52 175.60 3knf h HIS 158 N 0.00 0.35 -1.11 4.73 3.86 -1.96 -2.24 115.15 118.77 3knf h HIS 158 Ca 0.32 -0.13 0.35 0.00 -1.16 0.00 0.00 60.37 59.76 3knf h HIS 158 Cb 1.54 -0.06 -0.13 0.00 1.06 0.00 0.00 27.41 29.81 3knf h HIS 158 CO 0.00 0.78 0.68 0.22 0.86 0.00 0.00 177.93 180.47 3knf h ASP 159 N 0.21 0.40 -0.03 2.45 3.58 -0.42 -3.53 116.42 119.08 3knf h ASP 159 Ca -0.00 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3knf h ASP 159 Cb 1.06 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.22 3knf h ASP 159 CO 0.09 -0.13 0.00 -0.38 -2.88 0.00 0.00 179.24 175.94