#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 0.67 -0.11 2.12 0.52 -0.98 0.04 118.95 121.21 3knf s ARG 2 Ca 0.00 -0.32 -0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3knf s ARG 2 Cb 0.00 -0.64 0.06 0.00 0.52 0.00 0.00 34.95 34.89 3knf s ARG 2 CO 0.00 0.17 0.22 0.54 0.02 0.00 0.00 175.30 176.25 3knf s VAL 3 N -0.25 -0.31 -0.00 3.52 0.11 -0.02 -0.72 120.40 122.71 3knf s VAL 3 Ca 0.03 0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 59.07 3knf s VAL 3 Cb -0.04 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 3knf s VAL 3 CO -0.00 0.12 0.98 -0.69 -3.33 0.00 0.00 175.10 172.18 3knf s VAL 4 N 2.23 4.86 -0.04 2.04 1.01 -0.99 -2.59 120.40 126.93 3knf s VAL 4 Ca 0.01 2.05 0.06 0.00 0.00 0.00 0.00 61.98 64.10 3knf s VAL 4 Cb -0.12 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 3knf s VAL 4 CO -0.07 0.16 -0.20 -0.63 0.00 0.00 0.00 175.10 174.35 3knf s ILE 5 N 1.03 2.52 -0.05 2.22 1.01 0.13 -1.16 121.20 126.89 3knf s ILE 5 Ca 0.52 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3knf s ILE 5 Cb -0.21 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.35 3knf s ILE 5 CO 0.28 0.58 -0.01 -1.10 0.00 0.00 0.00 174.94 174.69 3knf s GLN 6 N -0.59 0.59 0.16 2.79 -0.21 -0.79 -1.08 119.66 120.53 3knf s GLN 6 Ca 0.09 0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.21 3knf s GLN 6 Cb -0.11 -0.82 -0.08 0.00 1.00 0.00 0.00 33.01 33.01 3knf s GLN 6 CO 0.00 -0.21 1.25 0.50 -2.12 0.00 0.00 175.29 174.72 3knf s ARG 7 N 1.48 4.43 0.06 2.91 3.52 -0.86 -1.92 118.95 128.57 3knf s ARG 7 Ca -0.03 1.93 0.02 0.00 -0.13 0.00 0.00 55.73 57.53 3knf s ARG 7 Cb -0.13 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 3knf s ARG 7 CO -0.03 -0.20 -0.08 0.14 -0.81 0.00 0.00 175.30 174.31 3knf s VAL 8 N 0.32 0.66 -2.06 7.11 -7.23 -0.36 -0.95 120.40 117.89 3knf s VAL 8 Ca 0.56 -1.32 0.23 0.00 -1.81 0.00 0.00 61.98 59.64 3knf s VAL 8 Cb -0.34 -0.93 0.06 0.00 0.56 0.00 0.00 36.38 35.73 3knf s VAL 8 CO 0.35 -0.48 1.19 0.29 -0.31 0.00 0.00 175.10 176.14 3knf n LYS 9 N 1.06 1.23 0.00 4.82 5.02 -0.49 -1.84 118.16 127.97 3knf n LYS 9 Ca -0.20 -0.97 0.00 0.00 -2.02 0.00 0.00 58.31 55.12 3knf n LYS 9 Cb 0.56 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.40 1.64 3.19 0.72 0.00 -1.26 -2.29 105.19 108.60 3knf n GLY 10 Ca 0.10 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.73 -0.31 4.61 0.00 -1.09 -1.09 121.76 121.15 3knf s ALA 11 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3knf s ALA 11 Cb 0.00 -0.42 0.10 0.00 0.00 0.00 0.00 23.12 22.80 3knf s ALA 11 CO 0.00 -0.15 0.09 0.42 0.00 0.00 0.00 175.76 176.11 3knf s ILE 12 N -0.03 1.12 -0.03 0.00 1.09 0.07 -2.04 121.20 121.39 3knf s ILE 12 Ca -0.02 -1.54 -0.19 0.00 -1.10 0.00 0.00 60.65 57.80 3knf s ILE 12 Cb -0.03 -1.83 -0.05 0.00 -1.06 0.00 0.00 42.46 39.49 3knf s ILE 12 CO 0.01 -0.65 0.54 -0.22 -0.10 0.00 0.00 174.94 174.52 3knf s LEU 13 N 1.49 4.40 0.16 2.97 0.20 -1.08 -1.12 118.68 125.70 3knf s LEU 13 Ca 0.10 1.05 0.02 0.00 0.69 0.00 0.00 54.13 55.99 3knf s LEU 13 Cb -0.18 -2.82 -0.05 0.00 -0.43 0.00 0.00 46.19 42.72 3knf s LEU 13 CO -0.22 0.12 -0.01 -0.44 -0.29 0.00 0.00 176.35 175.51 3knf s SER 14 N -0.19 1.20 0.07 3.68 0.01 -1.01 -1.73 113.70 115.73 3knf s SER 14 Ca 0.29 -1.14 0.01 0.00 1.31 0.00 0.00 55.95 56.42 3knf s SER 14 Cb -0.17 0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 3knf s SER 14 CO 0.15 -0.55 0.04 1.33 0.41 0.00 0.00 173.24 174.63 3knf n VAL 15 N -0.20 0.00 -3.63 3.43 0.24 -0.98 -0.51 118.33 116.68 3knf n VAL 15 Ca -0.08 -0.44 -0.37 0.00 -2.04 0.00 0.00 64.34 61.41 3knf n VAL 15 Cb 0.63 0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.13 3knf n VAL 15 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3knf s ARG 16 N -2.26 4.00 0.26 7.34 0.52 -1.26 0.22 118.95 127.77 3knf s ARG 16 Ca 0.06 0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 3knf s ARG 16 Cb 0.00 -3.33 0.66 0.00 0.52 0.00 0.00 34.95 32.80 3knf s ARG 16 CO 0.04 0.46 1.32 -1.91 0.02 0.00 0.00 175.30 175.23 3knf n GLU 26 N 2.86 -0.07 -3.42 3.54 2.13 -1.26 -4.77 120.64 119.66 3knf n GLU 26 Ca -0.15 1.26 -0.25 0.00 0.66 0.00 0.00 57.16 58.68 3knf n GLU 26 Cb 0.53 -2.01 -0.02 0.00 0.27 0.00 0.00 31.44 30.21 3knf n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3knf s LEU 27 N -10.41 4.05 -0.11 4.31 1.43 -1.26 -5.10 118.68 111.59 3knf s LEU 27 Ca -0.11 0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3knf s LEU 27 Cb 0.25 -3.33 0.04 0.00 0.03 0.00 0.00 46.19 43.18 3knf s LEU 27 CO 0.66 -0.24 0.04 -0.70 0.23 0.00 0.00 176.35 176.34 3knf s GLU 28 N -4.05 0.33 0.15 1.70 2.12 0.13 -4.95 118.70 114.14 3knf s GLU 28 Ca 0.40 0.03 -0.31 0.00 0.36 0.00 0.00 54.97 55.45 3knf s GLU 28 Cb -0.10 -1.27 -0.09 0.00 0.26 0.00 0.00 34.13 32.92 3knf s GLU 28 CO 0.34 -0.46 1.52 0.42 -0.54 0.00 0.00 175.26 176.54 3knf s ILE 29 N 2.03 2.82 0.00 -3.70 1.09 -1.26 -2.31 121.20 119.87 3knf s ILE 29 Ca 0.03 0.58 0.00 0.00 -1.10 0.00 0.00 60.65 60.16 3knf s ILE 29 Cb -0.14 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 3knf s ILE 29 CO -0.06 0.04 0.09 2.30 -0.10 0.00 0.00 174.94 177.21 3knf n ILE 30 N 3.98 0.00 -3.65 2.92 -5.35 -0.71 -4.97 119.36 111.58 3knf n ILE 30 Ca 0.13 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 3knf n ILE 30 Cb 0.40 1.13 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 3knf n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3knf s SER 31 N -0.40 -0.32 -0.30 7.28 0.15 -1.20 -5.04 113.70 113.87 3knf s SER 31 Ca 0.00 0.07 -0.14 0.00 0.70 0.00 0.00 55.95 56.58 3knf s SER 31 Cb 0.00 0.43 0.16 0.00 -1.71 0.00 0.00 66.02 64.90 3knf s SER 31 CO 0.00 -0.65 0.95 -0.70 1.20 0.00 0.00 173.24 174.04 3knf s GLU 32 N -2.28 0.33 0.46 5.44 2.12 -1.26 -2.64 118.70 120.86 3knf s GLU 32 Ca -0.06 0.81 0.07 0.00 0.36 0.00 0.00 54.97 56.15 3knf s GLU 32 Cb -0.01 0.48 -0.00 0.00 0.26 0.00 0.00 34.13 34.85 3knf s GLU 32 CO -0.01 -0.11 0.41 0.96 -0.54 0.00 0.00 175.26 175.97 3knf s ILE 33 N 2.46 2.36 -0.19 -3.70 -4.36 -0.86 -4.97 121.20 111.94 3knf s ILE 33 Ca -0.03 -1.37 0.22 0.00 -0.26 0.00 0.00 60.65 59.21 3knf s ILE 33 Cb -0.07 -2.73 0.48 0.00 1.25 0.00 0.00 42.46 41.39 3knf s ILE 33 CO -0.18 0.00 1.14 0.29 0.24 0.00 0.00 174.94 176.43 3knf n LYS 34 N -1.64 1.43 0.00 0.37 4.76 -1.26 -2.67 118.16 119.15 3knf n LYS 34 Ca 0.03 -3.15 0.00 0.00 -2.87 0.00 0.00 58.31 52.32 3knf n LYS 34 Cb 0.62 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 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 -0.33 0.00 0.00 4.39 3.02 -0.97 -4.48 115.26 116.89 3knf n ASN 35 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3knf n ASN 35 Cb 0.91 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 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 0.00 0.61 3.56 7.41 0.00 -0.76 -2.69 105.19 113.32 3knf n GLY 36 Ca 0.00 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 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 2.92 -0.16 0.99 1.43 -1.06 -1.23 118.68 121.57 3knf s LEU 37 Ca 0.00 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 3knf s LEU 37 Cb 0.00 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.75 3knf s LEU 37 CO 0.00 0.05 -0.07 -0.51 0.23 0.00 0.00 176.35 176.05 3knf s ILE 38 N -2.13 1.18 -0.16 -0.59 1.10 -0.81 -1.20 121.20 118.60 3knf s ILE 38 Ca 0.28 -0.62 -0.02 0.00 -0.51 0.00 0.00 60.65 59.78 3knf s ILE 38 Cb -0.07 -1.31 -0.02 0.00 0.15 0.00 0.00 42.46 41.22 3knf s ILE 38 CO 0.16 0.19 -0.07 0.00 -2.11 0.00 0.00 174.94 173.12 3knf s PHE 40 N 0.55 3.30 -0.25 0.00 0.08 -0.31 -1.50 117.98 119.86 3knf s PHE 40 Ca -0.05 -1.44 -0.15 0.00 0.12 0.00 0.00 56.93 55.41 3knf s PHE 40 Cb -0.15 -3.72 -0.04 0.00 -0.57 0.00 0.00 43.02 38.55 3knf s PHE 40 CO 0.03 -1.01 0.35 -1.17 -0.10 0.00 0.00 175.22 173.32 3knf s LEU 41 N 1.54 4.08 -0.29 -0.37 2.96 -0.09 -2.34 118.68 124.17 3knf s LEU 41 Ca 0.04 0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 54.16 3knf s LEU 41 Cb -0.29 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 3knf s LEU 41 CO 0.02 -0.12 0.17 -0.83 -1.32 0.00 0.00 176.35 174.27 3knf s GLY 42 N 1.42 1.90 -0.07 7.98 0.00 0.10 0.21 107.32 118.85 3knf s GLY 42 Ca 0.15 -1.18 -0.26 0.00 0.00 0.00 0.00 44.72 43.43 3knf s GLY 42 CO 0.09 0.65 0.82 -0.42 0.00 0.00 0.00 173.10 174.25 3knf s ILE 43 N 1.71 4.95 -0.05 0.90 1.09 -1.26 -2.31 121.20 126.23 3knf s ILE 43 Ca 0.06 1.69 -0.13 0.00 -1.10 0.00 0.00 60.65 61.17 3knf s ILE 43 Cb -0.16 -4.15 -0.05 0.00 -1.06 0.00 0.00 42.46 37.03 3knf s ILE 43 CO 0.09 0.17 0.34 -2.28 -0.10 0.00 0.00 174.94 173.16 3knf s HIS 44 N 1.19 3.66 0.12 3.97 2.46 -1.26 -0.39 115.29 125.04 3knf s HIS 44 Ca 0.42 0.85 -0.07 0.00 0.47 0.00 0.00 55.06 56.73 3knf s HIS 44 Cb -0.18 -2.23 0.15 0.00 -0.13 0.00 0.00 32.58 30.19 3knf s HIS 44 CO 0.20 0.60 0.75 1.17 -2.47 0.00 0.00 174.74 174.99 3knf n LYS 45 N 2.12 -0.09 -2.25 2.88 4.81 -0.86 -0.54 118.16 124.22 3knf n LYS 45 Ca -0.15 0.75 -0.34 0.00 -0.87 0.00 0.00 58.31 57.70 3knf n LYS 45 Cb 0.53 -1.11 0.02 0.00 0.02 0.00 0.00 35.03 34.48 3knf n LYS 45 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3knf n ASN 46 N -4.74 6.19 -4.63 3.14 3.02 -1.26 -4.72 115.26 112.26 3knf n ASN 46 Ca 0.06 -3.77 -0.41 0.00 -0.03 0.00 0.00 54.58 50.43 3knf n ASN 46 Cb 0.21 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 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 -2.24 6.63 0.22 6.41 1.01 0.30 -4.99 116.67 124.01 3knf s ASP 47 Ca 0.49 0.78 -0.11 0.00 0.71 0.00 0.00 52.55 54.42 3knf s ASP 47 Cb 0.40 -2.35 -0.07 0.00 1.01 0.00 0.00 42.92 41.90 3knf s ASP 47 CO -0.29 -0.37 0.57 0.42 0.21 0.00 0.00 175.17 175.71 3knf s THR 48 N 2.43 4.88 0.59 -1.27 -4.23 -1.26 -4.94 115.64 111.85 3knf s THR 48 Ca 0.28 0.61 0.29 0.00 -1.18 0.00 0.00 61.69 61.68 3knf s THR 48 Cb -0.16 -3.64 0.39 0.00 1.34 0.00 0.00 72.50 70.43 3knf s THR 48 CO 0.09 -0.01 1.76 -0.25 -0.54 0.00 0.00 174.62 175.67 3knf h TRP 49 N 2.74 0.00 -0.17 3.99 2.91 -2.00 0.79 115.95 124.20 3knf h TRP 49 Ca -0.47 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.54 3knf h TRP 49 Cb 1.18 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.82 3knf h TRP 49 CO 0.62 0.00 0.06 0.93 -1.03 0.00 0.00 178.44 179.02 3knf h GLU 50 N 0.00 0.23 -0.20 2.65 4.39 -2.01 -2.13 114.58 117.51 3knf h GLU 50 Ca 0.28 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 3knf h GLU 50 Cb 1.60 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.19 3knf h GLU 50 CO -0.00 0.21 -0.10 -0.44 -1.16 0.00 0.00 179.01 177.52 3knf h ASP 51 N 0.24 0.43 -0.30 1.42 3.32 0.24 -3.16 116.42 118.61 3knf h ASP 51 Ca 0.06 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 56.75 3knf h ASP 51 Cb 0.07 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3knf h ASP 51 CO -0.01 0.75 0.21 0.00 -1.72 0.00 0.00 179.24 178.47 3knf h ALA 52 N 0.70 2.05 0.00 3.45 0.00 -1.35 -1.16 119.26 122.95 3knf h ALA 52 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3knf h ALA 52 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3knf h ALA 52 CO 0.03 -0.11 0.00 -0.07 0.00 0.00 0.00 179.25 179.10 3knf h LEU 53 N 0.18 0.00 0.00 0.00 3.38 -1.46 -3.17 115.31 114.24 3knf h LEU 53 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3knf h LEU 53 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3knf h LEU 53 CO -0.02 0.00 -0.79 0.22 0.09 0.00 0.00 178.44 177.94 3knf h TYR 54 N 0.00 0.00 0.29 1.13 3.20 -1.27 -2.59 116.97 117.74 3knf h TYR 54 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3knf h TYR 54 Cb 0.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3knf h TYR 54 CO 0.00 0.74 -0.14 0.82 -1.64 0.00 0.00 178.16 177.94 3knf h ILE 55 N 0.00 0.14 -0.94 1.81 2.04 -1.57 -3.01 117.51 115.98 3knf h ILE 55 Ca -0.02 -0.77 0.14 0.00 1.00 0.00 0.00 64.86 65.20 3knf h ILE 55 Cb 1.58 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.82 3knf h ILE 55 CO 0.09 0.04 0.56 0.40 0.00 0.00 0.00 178.15 179.25 3knf h ILE 56 N -1.08 0.84 -0.58 -0.67 2.04 -1.65 0.47 117.51 116.89 3knf h ILE 56 Ca -0.04 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 3knf h ILE 56 Cb 0.36 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3knf h ILE 56 CO 0.07 0.15 0.07 -0.09 0.00 0.00 0.00 178.15 178.35 3knf h ARG 57 N 0.84 0.94 -0.05 2.37 2.43 -1.58 0.18 114.38 119.52 3knf h ARG 57 Ca 0.49 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3knf h ARG 57 Cb 0.58 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3knf h ARG 57 CO -0.31 0.88 -0.26 0.87 -1.51 0.00 0.00 179.97 179.64 3knf h LYS 58 N 0.88 0.26 -0.41 0.20 1.79 -0.76 0.40 116.57 118.94 3knf h LYS 58 Ca 0.18 -0.22 0.06 0.00 -2.18 0.00 0.00 60.65 58.49 3knf h LYS 58 Cb 0.42 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.06 3knf h LYS 58 CO 0.01 0.88 0.11 0.00 -1.08 0.00 0.00 179.45 179.36 3knf h LEU 60 N 0.25 0.00 -0.51 0.00 3.38 -0.98 -3.37 115.31 114.09 3knf h LEU 60 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3knf h LEU 60 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3knf h LEU 60 CO -0.23 0.25 0.00 0.59 0.09 0.00 0.00 178.44 179.13 3knf n ASN 61 N -3.22 0.51 -4.71 -0.43 3.02 0.13 -3.92 115.26 106.63 3knf n ASN 61 Ca 0.02 -0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 3knf n ASN 61 Cb 0.57 0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.76 4.36 -1.16 3.41 1.43 0.12 -4.63 118.68 121.45 3knf s LEU 62 Ca 0.00 2.31 -0.17 0.00 -1.03 0.00 0.00 54.13 55.24 3knf s LEU 62 Cb 0.00 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.76 3knf s LEU 62 CO 0.00 -0.67 1.47 -0.13 0.23 0.00 0.00 176.35 177.25 3knf s ARG 63 N 1.29 3.91 0.00 1.70 0.52 -1.26 -4.01 118.95 121.10 3knf s ARG 63 Ca 0.65 -2.09 0.23 0.00 -0.52 0.00 0.00 55.73 54.00 3knf s ARG 63 Cb -0.36 -5.21 0.50 0.00 0.52 0.00 0.00 34.95 30.40 3knf s ARG 63 CO 0.30 -1.96 1.45 1.28 0.02 0.00 0.00 175.30 176.38 3knf n LEU 64 N 7.00 3.65 -4.40 2.53 4.77 -1.04 -3.15 117.00 126.35 3knf n LEU 64 Ca 0.38 -1.69 -0.33 0.00 -0.03 0.00 0.00 56.01 54.34 3knf n LEU 64 Cb 0.46 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 3knf n LEU 64 CO 0.65 0.84 -0.45 0.26 -1.33 0.00 0.00 177.39 177.36 3knf s TRP 65 N -1.30 2.79 0.20 -1.77 0.51 -0.79 -4.87 118.94 113.72 3knf s TRP 65 Ca 0.42 -0.52 -0.29 0.00 -2.12 0.00 0.00 56.10 53.60 3knf s TRP 65 Cb 0.24 -1.79 -0.08 0.00 -0.81 0.00 0.00 33.47 31.02 3knf s TRP 65 CO 0.32 -0.11 0.89 -0.80 -0.51 0.00 0.00 176.95 176.75 3knf s ASN 66 N 0.08 7.55 -0.28 2.95 -0.87 -1.26 -2.63 114.94 120.48 3knf s ASN 66 Ca -0.05 1.84 -0.13 0.00 -1.57 0.00 0.00 52.86 52.94 3knf s ASN 66 Cb -0.15 -2.57 0.10 0.00 -0.02 0.00 0.00 41.25 38.61 3knf s ASN 66 CO 0.04 0.15 0.65 0.21 -2.57 0.00 0.00 177.10 175.58 3knf s ASN 67 N -1.03 -0.98 -1.03 -1.22 2.47 0.15 -5.00 114.94 108.30 3knf s ASN 67 Ca 0.40 1.50 -0.02 0.00 0.42 0.00 0.00 52.86 55.15 3knf s ASN 67 Cb -0.25 1.72 0.00 0.00 -1.45 0.00 0.00 41.25 41.27 3knf s ASN 67 CO 0.30 -0.23 0.87 0.47 -3.72 0.00 0.00 177.10 174.79 3knf n ASP 68 N 4.79 -3.23 -0.60 -4.21 10.43 -1.26 -2.03 116.55 120.45 3knf n ASP 68 Ca -0.17 -0.49 -0.03 0.00 2.57 0.00 0.00 54.79 56.68 3knf n ASP 68 Cb 0.55 -4.27 0.00 0.00 1.84 0.00 0.00 41.12 39.24 3knf n ASP 68 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3knf n ASN 69 N -2.56 -2.10 -3.74 -2.24 3.02 -1.26 -5.04 115.26 101.33 3knf n ASN 69 Ca -0.16 -0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.23 3knf n ASN 69 Cb 0.61 -1.01 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 3knf n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3knf s LYS 70 N -4.71 0.39 0.02 3.52 1.02 -0.86 -5.17 119.74 113.96 3knf s LYS 70 Ca 0.04 0.52 0.02 0.00 0.02 0.00 0.00 55.97 56.57 3knf s LYS 70 Cb -0.02 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 3knf s LYS 70 CO 0.05 -0.07 0.01 0.95 -0.92 0.00 0.00 175.35 175.37 3knf s THR 71 N 0.39 4.17 -0.66 2.17 -4.23 -1.26 -0.68 115.64 115.54 3knf s THR 71 Ca -0.02 -0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 59.74 3knf s THR 71 Cb -0.04 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.92 3knf s THR 71 CO -0.02 0.31 0.65 0.79 -0.54 0.00 0.00 174.62 175.82 3knf n TRP 72 N 1.16 -2.89 0.00 3.99 7.02 -1.26 -4.96 117.44 120.51 3knf n TRP 72 Ca -0.13 1.14 0.00 0.00 -1.02 0.00 0.00 57.50 57.49 3knf n TRP 72 Cb 0.52 -3.61 0.00 0.00 -2.42 0.00 0.00 31.31 25.80 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 -1.46 0.49 -4.43 -0.99 4.64 -1.11 -4.88 116.55 108.81 3knf n ASP 73 Ca -0.05 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 53.03 3knf n ASP 73 Cb 0.55 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.49 3knf n ASP 73 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3knf s LYS 74 N -1.49 3.31 0.73 -0.67 -0.14 -1.08 -4.82 119.74 115.57 3knf s LYS 74 Ca 0.00 -0.64 -0.06 0.00 -1.36 0.00 0.00 55.97 53.91 3knf s LYS 74 Cb 0.00 -2.66 0.09 0.00 -1.68 0.00 0.00 37.83 33.57 3knf s LYS 74 CO 0.00 0.30 1.03 0.54 -0.76 0.00 0.00 175.35 176.46 3knf s ASN 75 N 0.15 4.55 0.28 2.83 2.20 -1.26 -1.88 114.94 121.82 3knf s ASN 75 Ca -0.05 0.24 0.02 0.00 -0.94 0.00 0.00 52.86 52.13 3knf s ASN 75 Cb -0.15 -0.79 0.59 0.00 -2.00 0.00 0.00 41.25 38.90 3knf s ASN 75 CO 0.04 -1.75 1.82 1.62 -2.94 0.00 0.00 177.10 175.89 3knf h VAL 76 N -0.66 0.87 0.34 3.54 3.04 -1.70 -2.51 116.25 119.16 3knf h VAL 76 Ca -0.43 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 64.93 3knf h VAL 76 Cb 1.29 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 3knf h VAL 76 CO 0.53 0.17 -0.16 0.11 -1.01 0.00 0.00 177.57 177.21 3knf h LYS 77 N 0.93 -0.43 0.00 4.17 1.57 -1.86 -1.92 116.57 119.02 3knf h LYS 77 Ca 0.51 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 3knf h LYS 77 Cb 0.58 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3knf h LYS 77 CO -0.29 -0.17 0.75 -0.44 -0.57 0.00 0.00 179.45 178.72 3knf h ASP 78 N -0.65 0.00 -0.00 0.86 3.32 -1.78 0.47 116.42 118.64 3knf h ASP 78 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3knf h ASP 78 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3knf h ASP 78 CO 0.08 0.00 -0.13 0.18 -1.72 0.00 0.00 179.24 177.64 3knf n LEU 79 N -2.30 0.90 -1.09 1.55 4.77 -0.96 -4.98 117.00 114.89 3knf n LEU 79 Ca -0.00 -0.75 -0.09 0.00 -0.03 0.00 0.00 56.01 55.13 3knf n LEU 79 Cb 0.75 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3knf n LEU 79 CO 0.03 0.19 -0.11 0.59 -1.33 0.00 0.00 177.39 176.76 3knf n ASN 80 N -0.39 -3.21 -4.90 -1.43 5.03 0.17 -5.01 115.26 105.51 3knf n ASN 80 Ca 0.02 -0.02 -0.28 0.00 0.87 0.00 0.00 54.58 55.17 3knf n ASN 80 Cb 0.12 -2.46 -0.02 0.00 -1.02 0.00 0.00 39.78 36.41 3knf n ASN 80 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3knf s TYR 81 N -2.49 3.51 0.86 3.10 1.51 -0.76 -5.04 117.35 118.04 3knf s TYR 81 Ca 0.01 0.82 -0.11 0.00 -1.01 0.00 0.00 57.07 56.77 3knf s TYR 81 Cb -0.01 -2.28 0.15 0.00 -0.11 0.00 0.00 41.96 39.72 3knf s TYR 81 CO 0.01 -0.10 1.20 -1.21 -1.11 0.00 0.00 175.55 174.35 3knf s GLU 82 N -4.19 1.21 -0.17 -0.62 2.02 -1.09 -4.76 118.70 111.09 3knf s GLU 82 Ca 0.47 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.98 3knf s GLU 82 Cb -0.10 -1.99 0.08 0.00 0.10 0.00 0.00 34.13 32.22 3knf s GLU 82 CO 0.37 -1.98 0.23 -0.51 0.02 0.00 0.00 175.26 173.40 3knf s LEU 83 N -5.63 -0.18 -0.41 1.80 1.02 0.13 -2.57 118.68 112.84 3knf s LEU 83 Ca 0.69 0.06 -0.19 0.00 0.02 0.00 0.00 54.13 54.72 3knf s LEU 83 Cb -0.06 0.49 0.02 0.00 0.02 0.00 0.00 46.19 46.66 3knf s LEU 83 CO 0.50 -0.29 0.53 -0.22 0.02 0.00 0.00 176.35 176.88 3knf s LEU 84 N 2.36 4.60 -0.11 1.79 2.96 -0.34 -1.67 118.68 128.26 3knf s LEU 84 Ca 0.05 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3knf s LEU 84 Cb -0.14 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 3knf s LEU 84 CO -0.11 -0.62 0.02 -0.63 -1.32 0.00 0.00 176.35 173.70 3knf s ILE 85 N 2.44 4.48 -0.02 6.68 1.01 0.47 -2.14 121.20 134.12 3knf s ILE 85 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3knf s ILE 85 Cb -0.16 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.42 3knf s ILE 85 CO 0.15 0.57 0.01 -0.69 0.00 0.00 0.00 174.94 174.98 3knf s VAL 86 N -0.58 0.10 -0.05 2.92 1.01 -0.56 -3.08 120.40 120.17 3knf s VAL 86 Ca 0.10 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 3knf s VAL 86 Cb -0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 3knf s VAL 86 CO 0.02 0.11 1.51 -0.55 0.00 0.00 0.00 175.10 176.19 3knf s SER 87 N 0.85 6.76 -0.29 3.32 0.15 -1.26 -0.91 113.70 122.31 3knf s SER 87 Ca -0.08 2.13 0.02 0.00 0.70 0.00 0.00 55.95 58.72 3knf s SER 87 Cb -0.11 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.74 3knf s SER 87 CO -0.02 -0.83 0.01 -1.58 1.20 0.00 0.00 173.24 172.02 3knf s GLN 88 N 3.34 1.42 0.04 5.44 2.00 0.55 -4.80 119.66 127.64 3knf s GLN 88 Ca 0.67 -1.38 0.20 0.00 -2.00 0.00 0.00 55.36 52.86 3knf s GLN 88 Cb -0.31 -2.72 -0.18 0.00 0.80 0.00 0.00 33.01 30.61 3knf s GLN 88 CO 0.26 -0.81 0.68 1.97 -0.50 0.00 0.00 175.29 176.89 3knf n PHE 89 N 4.53 0.56 0.30 1.67 1.16 -1.26 -2.16 117.46 122.26 3knf n PHE 89 Ca -0.04 0.18 0.19 0.00 -1.87 0.00 0.00 57.45 55.91 3knf n PHE 89 Cb 0.43 -0.87 0.98 0.00 -1.61 0.00 0.00 39.48 38.40 3knf n PHE 89 CO 0.00 0.00 0.00 1.79 -1.87 0.00 0.00 176.76 176.68 3knf h THR 90 N 0.00 0.00 0.00 1.97 1.35 -1.94 0.11 112.91 114.40 3knf h THR 90 Ca -0.13 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3knf h THR 90 Cb 1.35 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3knf h THR 90 CO 0.02 0.00 0.10 0.18 -0.25 0.00 0.00 175.52 175.57 3knf n LEU 91 N -2.87 0.46 -1.22 3.87 4.77 -1.24 0.10 117.00 120.87 3knf n LEU 91 Ca -0.02 0.68 0.05 0.00 -0.03 0.00 0.00 56.01 56.69 3knf n LEU 91 Cb 0.11 -0.71 0.28 0.00 -2.33 0.00 0.00 43.42 40.77 3knf n LEU 91 CO 0.19 -0.84 0.78 0.49 -1.33 0.00 0.00 177.39 176.68 3knf n PHE 92 N -2.15 1.34 -1.11 -1.77 3.72 0.37 -4.97 117.46 112.89 3knf n PHE 92 Ca -0.01 -0.98 -0.32 0.00 -0.05 0.00 0.00 57.45 56.09 3knf n PHE 92 Cb 0.13 -0.42 0.12 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.71 1.93 -0.07 1.37 0.00 0.29 -4.36 107.32 104.77 3knf s GLY 93 Ca 0.46 0.62 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 3knf s GLY 93 CO 0.10 1.02 0.00 0.21 0.00 0.00 0.00 173.10 174.43 3knf s ASN 94 N -2.60 1.56 -0.07 1.64 3.84 -0.93 -4.75 114.94 113.64 3knf s ASN 94 Ca 0.68 -0.08 0.10 0.00 0.21 0.00 0.00 52.86 53.77 3knf s ASN 94 Cb -0.24 -0.43 0.16 0.00 -0.55 0.00 0.00 41.25 40.19 3knf s ASN 94 CO 0.52 -0.19 1.06 0.35 -2.79 0.00 0.00 177.10 176.05 3knf n THR 95 N 5.14 1.35 -0.05 -5.21 -2.24 -1.26 -0.51 114.28 111.49 3knf n THR 95 Ca -0.07 -1.55 -0.16 0.00 -2.27 0.00 0.00 64.05 60.00 3knf n THR 95 Cb 0.50 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.71 -5.27 -0.78 1.57 -1.97 -3.41 116.57 107.42 3knf h LYS 96 Ca 0.00 -0.51 -0.61 0.00 -1.87 0.00 0.00 60.65 57.66 3knf h LYS 96 Cb 0.87 0.09 -0.13 0.00 0.08 0.00 0.00 32.23 33.14 3knf h LYS 96 CO 0.00 1.13 -0.34 0.21 -0.57 0.00 0.00 179.45 179.88 3knf s LYS 97 N -3.91 4.13 0.63 3.15 2.47 -1.26 -5.01 119.74 119.94 3knf s LYS 97 Ca -0.12 -0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.27 3knf s LYS 97 Cb 0.08 -3.54 0.00 0.00 -1.46 0.00 0.00 37.83 32.91 3knf s LYS 97 CO 0.86 0.01 0.00 0.41 0.16 0.00 0.00 175.35 176.80 3knf n GLY 98 N 4.08 -0.57 0.94 5.54 0.00 -1.26 -4.50 105.19 109.42 3knf n GLY 98 Ca -0.11 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.86 3.13 -4.10 1.61 3.02 -1.26 -4.74 115.26 109.06 3knf n ASN 99 Ca 0.00 -1.91 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 3knf n ASN 99 Cb 0.11 -0.21 -0.13 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.28 1.96 0.68 3.52 2.20 -1.26 -5.07 119.74 120.50 3knf s LYS 100 Ca 0.32 -1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 54.07 3knf s LYS 100 Cb 0.18 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 33.08 3knf s LYS 100 CO 0.26 -0.92 0.42 -2.30 -0.36 0.00 0.00 175.35 172.45 3knf n PRO 101 N 4.50 0.31 -3.99 4.03 -0.02 -1.25 -4.91 135.00 133.67 3knf n PRO 101 Ca -0.03 0.14 -0.33 0.00 -2.02 0.00 0.00 63.50 61.25 3knf n PRO 101 Cb 0.42 -1.70 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.35 4.71 -0.19 2.55 -1.08 0.33 -4.68 116.67 116.96 3knf s ASP 102 Ca 0.64 -1.59 0.09 0.00 -0.52 0.00 0.00 52.55 51.17 3knf s ASP 102 Cb -0.37 -1.64 0.58 0.00 -1.46 0.00 0.00 42.92 40.02 3knf s ASP 102 CO 0.59 -0.28 1.42 0.49 0.52 0.00 0.00 175.17 177.91 3knf n PHE 103 N 4.46 1.57 1.66 -5.34 3.72 -1.26 -2.19 117.46 120.08 3knf n PHE 103 Ca -0.09 -0.62 0.04 0.00 -0.05 0.00 0.00 57.45 56.73 3knf n PHE 103 Cb 0.42 -0.44 0.22 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.32 0.00 0.23 1.38 8.25 -1.26 -2.99 115.22 121.15 3knf n HIS 104 Ca 0.22 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.71 3knf n HIS 104 Cb 0.98 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.11 3knf n HIS 104 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3knf n LEU 105 N -0.64 1.39 -4.84 2.41 0.00 -1.26 -5.01 117.00 109.04 3knf n LEU 105 Ca 0.06 -0.97 -0.34 0.00 0.00 0.00 0.00 56.01 54.76 3knf n LEU 105 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.39 3knf n LEU 105 CO 0.04 0.29 0.37 0.00 0.00 0.00 0.00 177.39 178.09 3knf s ALA 106 N -0.51 3.41 0.93 1.96 0.00 -1.16 -2.03 121.76 124.37 3knf s ALA 106 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 3knf s ALA 106 Cb 0.04 -2.70 0.06 0.00 0.00 0.00 0.00 23.12 20.53 3knf s ALA 106 CO 0.08 0.37 0.60 1.17 0.00 0.00 0.00 175.76 177.97 3knf n LYS 107 N 0.09 -0.31 -3.17 0.00 4.81 0.47 -4.17 118.16 115.88 3knf n LYS 107 Ca 0.00 -0.04 -0.30 0.00 -0.87 0.00 0.00 58.31 57.11 3knf n LYS 107 Cb 0.52 -1.99 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 3knf n LYS 107 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3knf s GLU 108 N -3.85 3.71 0.16 1.64 -1.05 -1.26 -4.79 118.70 113.25 3knf s GLU 108 Ca 0.60 0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 55.33 3knf s GLU 108 Cb -0.22 -2.55 -0.04 0.00 -0.44 0.00 0.00 34.13 30.88 3knf s GLU 108 CO 0.65 0.14 1.55 -1.35 0.95 0.00 0.00 175.26 177.19 3knf h PRO 109 N 1.63 -0.18 -0.35 -4.83 0.11 -1.96 0.80 132.00 127.22 3knf h PRO 109 Ca -0.47 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3knf h PRO 109 Cb 1.19 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3knf h PRO 109 CO 0.66 -0.12 0.12 -0.91 -0.21 0.00 0.00 178.00 177.53 3knf h ASN 110 N -0.19 0.51 0.13 -2.05 2.35 -1.98 2.14 115.58 116.50 3knf h ASN 110 Ca 0.15 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3knf h ASN 110 Cb 0.52 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3knf h ASN 110 CO -0.77 0.57 -0.01 -0.62 -1.65 0.00 0.00 177.43 174.95 3knf n GLU 111 N -4.65 0.93 -0.13 0.81 1.02 -0.78 -2.08 120.64 115.76 3knf n GLU 111 Ca -0.01 -0.11 -0.21 0.00 -0.02 0.00 0.00 57.16 56.81 3knf n GLU 111 Cb 0.17 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 3knf n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knf n ALA 112 N -0.94 1.38 0.15 0.62 0.00 0.27 -3.84 120.51 118.15 3knf n ALA 112 Ca 0.21 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.40 3knf n ALA 112 Cb 0.17 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 3knf n ALA 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3knf h LEU 113 N -0.23 -1.02 -1.49 0.00 5.85 0.36 0.77 115.31 119.55 3knf h LEU 113 Ca -0.61 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 3knf h LEU 113 Cb 1.83 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 43.23 3knf h LEU 113 CO -0.17 -0.46 -0.21 -0.29 -0.34 0.00 0.00 178.44 176.98 3knf h ILE 114 N -0.63 1.17 -0.41 4.05 6.09 -1.65 0.21 117.51 126.34 3knf h ILE 114 Ca 0.01 -0.80 -0.06 0.00 -1.37 0.00 0.00 64.86 62.64 3knf h ILE 114 Cb 0.63 1.38 -0.02 0.00 0.47 0.00 0.00 36.82 39.28 3knf h ILE 114 CO -0.17 0.24 0.02 0.15 -3.07 0.00 0.00 178.15 175.32 3knf h PHE 115 N 0.06 0.77 0.29 2.19 3.57 -1.48 -1.89 116.94 120.46 3knf h PHE 115 Ca 0.01 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.39 3knf h PHE 115 Cb 0.41 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3knf h PHE 115 CO 0.00 0.77 -0.46 -0.92 -2.23 0.00 0.00 178.31 175.47 3knf h TYR 116 N 0.55 -1.29 -0.85 0.41 3.20 0.36 -0.72 116.97 118.64 3knf h TYR 116 Ca 0.12 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.16 3knf h TYR 116 Cb 0.45 0.53 -0.10 0.00 1.54 0.00 0.00 36.73 39.15 3knf h TYR 116 CO 0.03 -0.59 0.42 -0.91 -1.64 0.00 0.00 178.16 175.48 3knf h ASN 117 N -0.81 0.49 -0.83 -2.11 2.35 -1.08 0.43 115.58 114.01 3knf h ASN 117 Ca -0.02 0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3knf h ASN 117 Cb 0.76 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.11 3knf h ASN 117 CO -0.16 0.19 0.54 0.11 -1.65 0.00 0.00 177.43 176.46 3knf h LYS 118 N 0.59 0.91 0.05 0.81 1.57 -0.52 -1.22 116.57 118.75 3knf h LYS 118 Ca 0.47 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.96 3knf h LYS 118 Cb 0.69 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3knf h LYS 118 CO -0.38 0.60 -1.03 0.82 -0.57 0.00 0.00 179.45 178.89 3knf h ILE 119 N 0.94 1.49 -0.80 1.86 2.04 0.11 -2.98 117.51 120.17 3knf h ILE 119 Ca 0.35 -2.79 -0.03 0.00 1.00 0.00 0.00 64.86 63.39 3knf h ILE 119 Cb 0.18 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3knf h ILE 119 CO -0.12 0.82 0.38 0.40 0.00 0.00 0.00 178.15 179.63 3knf h ILE 120 N 0.12 1.25 0.04 -0.67 2.04 0.13 -2.67 117.51 117.76 3knf h ILE 120 Ca -0.08 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3knf h ILE 120 Cb 1.71 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3knf h ILE 120 CO 0.17 0.30 -0.02 0.44 0.00 0.00 0.00 178.15 179.03 3knf h ASP 121 N 1.14 -0.05 -0.71 1.72 5.19 -1.28 -1.23 116.42 121.20 3knf h ASP 121 Ca 0.28 -0.32 0.16 0.00 -0.62 0.00 0.00 57.03 56.52 3knf h ASP 121 Cb 0.12 0.01 -0.11 0.00 0.18 0.00 0.00 39.33 39.53 3knf h ASP 121 CO -0.03 0.30 0.09 -0.08 -3.12 0.00 0.00 179.24 176.39 3knf h GLU 122 N -0.40 0.18 0.02 3.56 4.57 -1.46 0.52 114.58 121.56 3knf h GLU 122 Ca -0.01 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3knf h GLU 122 Cb 0.37 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 3knf h GLU 122 CO 0.01 0.12 -0.52 0.74 -1.18 0.00 0.00 179.01 178.17 3knf h PHE 123 N 0.18 -1.54 -0.41 0.92 0.04 -1.16 0.12 116.94 115.10 3knf h PHE 123 Ca 0.39 0.05 0.08 0.00 2.80 0.00 0.00 57.97 61.29 3knf h PHE 123 Cb 0.68 0.67 -0.09 0.00 2.20 0.00 0.00 35.95 39.40 3knf h PHE 123 CO -0.33 -0.56 -0.37 0.87 -0.60 0.00 0.00 178.31 177.32 3knf h LYS 124 N -0.67 -0.27 -0.72 1.51 1.57 0.60 0.21 116.57 118.80 3knf h LYS 124 Ca 0.01 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 3knf h LYS 124 Cb 0.71 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 3knf h LYS 124 CO -0.34 -0.18 0.48 -0.22 -0.57 0.00 0.00 179.45 178.62 3knf h LYS 125 N -0.28 0.57 -0.00 3.15 3.64 0.49 -2.80 116.57 121.33 3knf h LYS 125 Ca 0.16 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3knf h LYS 125 Cb 0.56 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3knf h LYS 125 CO -0.56 0.38 -0.29 1.04 -2.27 0.00 0.00 179.45 177.75 3knf n GLN 126 N -4.49 0.31 0.00 1.90 6.02 0.35 -4.78 117.38 116.69 3knf n GLN 126 Ca 0.12 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3knf n GLN 126 Cb 0.36 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.22 0.00 -3.65 1.08 9.36 -0.63 -5.06 117.16 117.04 3knf n TYR 127 Ca 0.09 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.29 3knf n TYR 127 Cb 0.33 0.26 -0.07 0.00 -0.63 0.00 0.00 39.34 39.23 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 -1.60 -0.02 0.15 2.98 3.84 -1.09 -5.04 114.94 114.16 3knf s ASN 128 Ca 0.00 0.04 -0.27 0.00 0.21 0.00 0.00 52.86 52.84 3knf s ASN 128 Cb 0.00 0.05 -0.00 0.00 -0.55 0.00 0.00 41.25 40.75 3knf s ASN 128 CO 0.00 -0.01 1.57 -0.78 -2.79 0.00 0.00 177.10 175.09 3knf h ASP 129 N 3.07 -1.45 0.00 -4.21 3.58 -1.91 -2.72 116.42 112.79 3knf h ASP 129 Ca -0.27 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.40 3knf h ASP 129 Cb 1.20 0.63 0.00 0.00 1.72 0.00 0.00 39.33 42.88 3knf h ASP 129 CO 0.19 -0.37 0.00 0.44 -2.88 0.00 0.00 179.24 176.62 3knf h ASP 130 N -0.33 0.00 -0.45 2.28 5.19 -1.97 -2.42 116.42 118.73 3knf h ASP 130 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3knf h ASP 130 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3knf h ASP 130 CO -0.58 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 175.83 3knf n LYS 131 N -2.59 2.07 -3.73 3.56 4.76 -1.02 -4.90 118.16 116.30 3knf n LYS 131 Ca -0.02 -1.66 -0.22 0.00 -2.87 0.00 0.00 58.31 53.54 3knf n LYS 131 Cb 0.05 -1.37 -0.18 0.00 -1.84 0.00 0.00 35.03 31.70 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 -1.40 0.21 0.18 -0.18 1.01 -0.91 -0.69 121.20 119.41 3knf s ILE 132 Ca 0.31 0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.25 3knf s ILE 132 Cb 0.16 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 3knf s ILE 132 CO 0.22 0.20 -0.12 -0.54 0.00 0.00 0.00 174.94 174.70 3knf s LYS 133 N 2.04 1.98 0.44 2.79 3.01 -0.67 -4.99 119.74 124.33 3knf s LYS 133 Ca 0.05 -1.30 0.01 0.00 -1.01 0.00 0.00 55.97 53.72 3knf s LYS 133 Cb -0.12 -2.12 -0.00 0.00 -1.01 0.00 0.00 37.83 34.58 3knf s LYS 133 CO -0.05 0.43 0.03 0.44 0.51 0.00 0.00 175.35 176.72 3knf n ILE 134 N 0.10 0.00 0.00 2.17 -0.00 -1.26 -0.39 119.36 119.97 3knf n ILE 134 Ca -0.11 -2.16 0.00 0.00 -0.00 0.00 0.00 62.75 60.48 3knf n ILE 134 Cb 0.55 0.52 0.00 0.00 -0.00 0.00 0.00 39.64 40.71 3knf n ILE 134 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3knf n GLY 135 N -0.47 0.63 2.57 3.28 0.00 -1.18 -4.81 105.19 105.22 3knf n GLY 135 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 2.82 0.93 -0.26 1.61 2.20 -1.26 -5.04 119.74 120.75 3knf s LYS 136 Ca 0.00 -1.57 -0.29 0.00 -0.36 0.00 0.00 55.97 53.75 3knf s LYS 136 Cb 0.00 -0.83 -0.13 0.00 -1.51 0.00 0.00 37.83 35.36 3knf s LYS 136 CO 0.00 -1.34 0.95 0.34 -0.36 0.00 0.00 175.35 174.94 3knf n PHE 137 N 3.06 0.98 -0.17 4.03 -0.00 -1.26 -1.26 117.46 122.84 3knf n PHE 137 Ca 0.23 0.72 0.00 0.00 -0.00 0.00 0.00 57.45 58.40 3knf n PHE 137 Cb 0.50 -1.40 0.00 0.00 -0.00 0.00 0.00 39.48 38.59 3knf n PHE 137 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3knf n GLY 138 N 2.24 1.21 3.63 7.13 0.00 -1.26 -5.04 105.19 113.09 3knf n GLY 138 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.98 4.97 -0.02 1.61 0.02 -0.39 -5.05 114.94 113.09 3knf s ASN 139 Ca 0.00 0.05 -0.37 0.00 -1.02 0.00 0.00 52.86 51.53 3knf s ASN 139 Cb 0.00 -1.38 -0.15 0.00 0.02 0.00 0.00 41.25 39.74 3knf s ASN 139 CO 0.00 0.35 1.57 0.00 0.02 0.00 0.00 177.10 179.04 3knf n TYR 140 N 2.31 1.91 -4.46 2.20 9.36 -1.26 -4.88 117.16 122.34 3knf n TYR 140 Ca -0.18 0.45 -0.29 0.00 3.32 0.00 0.00 57.90 61.20 3knf n TYR 140 Cb 0.53 -2.45 -0.08 0.00 -0.63 0.00 0.00 39.34 36.71 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 1.89 2.14 -0.39 2.98 -1.94 -1.26 -4.40 119.30 118.31 3knf s MET 141 Ca 0.88 -2.14 0.04 0.00 -1.71 0.00 0.00 55.69 52.76 3knf s MET 141 Cb -0.90 -1.74 0.16 0.00 2.01 0.00 0.00 34.83 34.36 3knf s MET 141 CO 0.51 -0.24 0.40 1.21 -0.01 0.00 0.00 175.02 176.88 3knf s ASN 142 N -3.89 1.00 -0.35 3.03 2.47 0.33 -4.95 114.94 112.58 3knf s ASN 142 Ca 0.26 -1.78 -0.13 0.00 0.42 0.00 0.00 52.86 51.63 3knf s ASN 142 Cb 0.04 0.55 -0.01 0.00 -1.45 0.00 0.00 41.25 40.38 3knf s ASN 142 CO 0.14 -0.23 0.24 -0.63 -3.72 0.00 0.00 177.10 172.91 3knf s ILE 143 N 1.21 5.20 -0.09 -5.21 1.01 -1.26 -2.42 121.20 119.65 3knf s ILE 143 Ca 0.20 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 3knf s ILE 143 Cb -0.12 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3knf s ILE 143 CO -0.04 -0.07 0.96 -1.81 0.00 0.00 0.00 174.94 173.98 3knf s ASP 144 N 1.70 7.22 -0.21 3.58 1.01 -0.28 -4.88 116.67 124.82 3knf s ASP 144 Ca 0.06 1.50 -0.00 0.00 0.71 0.00 0.00 52.55 54.81 3knf s ASP 144 Cb -0.18 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.27 3knf s ASP 144 CO 0.10 -0.39 -0.05 -0.69 0.21 0.00 0.00 175.17 174.35 3knf s VAL 145 N 1.77 1.31 -1.35 -1.27 1.01 -1.26 -0.75 120.40 119.86 3knf s VAL 145 Ca 0.47 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 3knf s VAL 145 Cb -0.19 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.70 3knf s VAL 145 CO 0.19 -0.01 1.90 0.41 0.00 0.00 0.00 175.10 177.59 3knf n THR 146 N 4.77 3.76 -1.59 3.92 -1.04 -0.25 -4.96 114.28 118.89 3knf n THR 146 Ca -0.12 -3.73 -0.52 0.00 -2.04 0.00 0.00 64.05 57.64 3knf n THR 146 Cb 0.46 -2.43 -0.06 0.00 -1.82 0.00 0.00 70.33 66.48 3knf n THR 146 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3knf n ASN 147 N 7.73 1.68 -4.09 8.00 3.02 -1.26 -1.39 115.26 128.95 3knf n ASN 147 Ca 0.50 1.12 -0.36 0.00 -0.03 0.00 0.00 54.58 55.81 3knf n ASN 147 Cb 0.44 -1.20 -0.10 0.00 -0.61 0.00 0.00 39.78 38.31 3knf n ASN 147 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3knf s ASP 148 N 0.47 5.20 0.00 6.41 2.15 -0.12 -4.78 116.67 125.99 3knf s ASP 148 Ca 0.84 -2.89 0.00 0.00 0.43 0.00 0.00 52.55 50.93 3knf s ASP 148 Cb -0.94 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 3knf s ASP 148 CO 0.47 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.72 3knf n GLY 149 N 3.43 1.16 3.46 2.66 0.00 -1.26 -4.15 105.19 110.49 3knf n GLY 149 Ca 0.08 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3knf n GLY 149 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3knf n PRO 150 N 0.00 -1.11 -3.31 1.61 -0.04 -1.26 -5.16 135.00 125.72 3knf n PRO 150 Ca 0.00 -1.88 -0.10 0.00 -0.04 0.00 0.00 63.50 61.48 3knf n PRO 150 Cb 0.00 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 3knf n PRO 150 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knf s VAL 151 N -3.57 -0.60 -0.18 0.52 1.01 -1.26 -5.03 120.40 111.31 3knf s VAL 151 Ca 0.67 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 3knf s VAL 151 Cb -0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3knf s VAL 151 CO 0.47 -0.33 -0.03 -0.89 0.00 0.00 0.00 175.10 174.32 3knf s THR 152 N 2.30 3.80 -0.02 3.92 2.01 -1.26 -2.03 115.64 124.36 3knf s THR 152 Ca 0.11 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.79 3knf s THR 152 Cb -0.12 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 3knf s THR 152 CO -0.24 0.46 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.35 3knf s ILE 153 N 0.70 2.86 -0.04 1.82 1.09 -0.24 -4.93 121.20 122.47 3knf s ILE 153 Ca -0.02 -0.91 0.05 0.00 -1.10 0.00 0.00 60.65 58.67 3knf s ILE 153 Cb -0.14 -2.14 -0.02 0.00 -1.06 0.00 0.00 42.46 39.10 3knf s ILE 153 CO 0.02 0.51 -0.18 -0.47 -0.10 0.00 0.00 174.94 174.72 3knf s TYR 154 N -0.78 2.57 -0.01 3.97 5.04 -1.26 0.20 117.35 127.09 3knf s TYR 154 Ca 0.12 -0.27 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 3knf s TYR 154 Cb -0.10 -1.59 0.00 0.00 0.35 0.00 0.00 41.96 40.62 3knf s TYR 154 CO 0.02 0.10 -0.04 0.42 -1.34 0.00 0.00 175.55 174.70 3knf s ILE 155 N -0.66 0.35 -0.25 3.14 1.09 -1.07 -4.99 121.20 118.81 3knf s ILE 155 Ca 0.10 -0.17 -0.01 0.00 -1.10 0.00 0.00 60.65 59.47 3knf s ILE 155 Cb -0.11 -0.31 0.08 0.00 -1.06 0.00 0.00 42.46 41.06 3knf s ILE 155 CO 0.00 0.11 0.04 -0.62 -0.10 0.00 0.00 174.94 174.37 3knf s ASP 156 N 0.04 3.58 0.34 3.58 -1.08 -1.26 -0.84 116.67 121.03 3knf s ASP 156 Ca 0.00 -1.24 0.03 0.00 -0.52 0.00 0.00 52.55 50.82 3knf s ASP 156 Cb -0.03 -0.84 0.64 0.00 -1.46 0.00 0.00 42.92 41.23 3knf s ASP 156 CO -0.00 -0.34 1.98 0.71 0.52 0.00 0.00 175.17 178.04 3knf h THR 157 N 6.54 1.11 0.00 1.71 1.35 -0.77 -0.04 112.91 122.81 3knf h THR 157 Ca -0.15 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3knf h THR 157 Cb 1.07 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3knf h THR 157 CO 0.41 0.16 0.00 1.41 -0.25 0.00 0.00 175.52 177.25 3knf n HIS 158 N -4.45 0.00 1.16 4.73 8.25 -1.26 -2.22 115.22 121.43 3knf n HIS 158 Ca 0.09 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.64 3knf n HIS 158 Cb 0.12 -0.38 0.33 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.38 1.69 -3.99 0.41 8.00 -0.03 -4.93 116.55 116.33 3knf n ASP 159 Ca 0.02 -1.77 -0.13 0.00 0.71 0.00 0.00 54.79 53.62 3knf n ASP 159 Cb 0.05 -0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.73 0.32 0.00 0.53 1.01 -0.94 -5.09 121.20 115.29 3knf s ILE 160 Ca 0.30 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3knf s ILE 160 Cb 0.16 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.27 3knf s ILE 160 CO 0.24 -0.22 0.00 0.59 0.00 0.00 0.00 174.94 175.54