#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy n GLU 2 N 0.00 -4.73 -2.85 0.03 1.02 -1.26 -5.02 120.64 107.84 3phy n GLU 2 Ca 0.00 3.50 -0.12 0.00 -0.02 0.00 0.00 57.16 60.53 3phy n GLU 2 Cb 0.00 -4.81 0.03 0.00 -0.02 0.00 0.00 31.44 26.64 3phy n GLU 2 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3phy n HIS 3 N 1.80 -2.53 -1.61 -0.32 1.44 -1.26 -5.10 115.22 107.65 3phy n HIS 3 Ca -0.26 -2.27 -0.46 0.00 -2.01 0.00 0.00 57.72 52.72 3phy n HIS 3 Cb 0.41 1.12 -0.04 0.00 0.12 0.00 0.00 29.99 31.60 3phy n HIS 3 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 3phy n VAL 4 N 1.29 0.46 -1.71 0.61 3.14 -1.26 -4.71 118.33 116.15 3phy n VAL 4 Ca 0.12 -0.27 0.06 0.00 -2.96 0.00 0.00 64.34 61.28 3phy n VAL 4 Cb 0.63 -2.19 -0.01 0.00 -1.06 0.00 0.00 33.84 31.21 3phy n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3phy n ALA 5 N 9.28 -1.52 -0.32 1.55 0.00 -1.26 -1.57 120.51 126.67 3phy n ALA 5 Ca 0.28 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 3phy n ALA 5 Cb 0.36 -0.48 0.04 0.00 0.00 0.00 0.00 19.45 19.37 3phy n ALA 5 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3phy h PHE 6 N -0.38 -0.99 0.00 0.00 -1.00 -1.93 -3.36 116.94 109.28 3phy h PHE 6 Ca 0.01 0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.80 3phy h PHE 6 Cb 0.37 0.56 -0.07 0.00 3.61 0.00 0.00 35.95 40.41 3phy h PHE 6 CO 0.00 -0.40 -0.09 0.41 -1.61 0.00 0.00 178.31 176.63 3phy n GLY 7 N -1.47 0.24 0.00 -1.45 0.00 -1.22 -5.11 105.19 96.18 3phy n GLY 7 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3phy n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3phy n SER 8 N -0.65 0.00 -3.73 1.61 7.64 -0.61 -5.04 113.62 112.84 3phy n SER 8 Ca -0.10 -0.95 -0.28 0.00 1.01 0.00 0.00 58.87 58.54 3phy n SER 8 Cb 0.67 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.78 3phy n SER 8 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3phy n GLU 9 N -0.95 2.21 -3.10 1.43 4.71 -1.26 -4.76 120.64 118.92 3phy n GLU 9 Ca 0.00 -4.57 -0.10 0.00 -0.01 0.00 0.00 57.16 52.49 3phy n GLU 9 Cb 0.00 -2.29 0.01 0.00 -1.01 0.00 0.00 31.44 28.15 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3phy n ASP 10 N 1.53 -6.88 -0.02 1.62 8.00 -1.26 -4.83 116.55 114.72 3phy n ASP 10 Ca 0.24 0.56 -0.01 0.00 0.71 0.00 0.00 54.79 56.29 3phy n ASP 10 Cb 0.37 -3.02 -0.00 0.00 -0.02 0.00 0.00 41.12 38.45 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3phy h ILE 11 N 2.94 0.00 -1.35 0.53 1.08 -1.93 -3.07 117.51 115.71 3phy h ILE 11 Ca -0.12 -0.27 0.46 0.00 -0.39 0.00 0.00 64.86 64.53 3phy h ILE 11 Cb 0.84 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.46 3phy h ILE 11 CO 0.10 0.00 0.87 1.05 -0.69 0.00 0.00 178.15 179.48 3phy h GLU 12 N -0.27 0.05 0.08 2.37 4.11 -1.97 1.34 114.58 120.29 3phy h GLU 12 Ca 0.00 -0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 3phy h GLU 12 Cb 0.12 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.38 3phy h GLU 12 CO 0.00 0.03 -0.89 -0.91 0.07 0.00 0.00 179.01 177.31 3phy h ASN 13 N 0.05 0.65 0.35 3.06 2.35 -1.96 -2.70 115.58 117.38 3phy h ASN 13 Ca 0.85 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3phy h ASN 13 Cb 2.70 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 40.86 3phy h ASN 13 CO -0.45 1.41 0.00 0.41 -1.65 0.00 0.00 177.43 177.15 3phy n THR 14 N -4.04 0.17 -0.01 2.81 -1.04 0.27 -2.74 114.28 109.71 3phy n THR 14 Ca -0.12 0.04 0.05 0.00 -2.04 0.00 0.00 64.05 61.98 3phy n THR 14 Cb 0.82 -0.64 -0.14 0.00 -1.82 0.00 0.00 70.33 68.55 3phy n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3phy n LEU 15 N -1.22 0.19 0.14 -4.42 4.77 0.39 -3.90 117.00 112.95 3phy n LEU 15 Ca 0.13 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 3phy n LEU 15 Cb 0.17 0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.54 3phy n LEU 15 CO 0.18 0.12 0.49 0.00 -1.33 0.00 0.00 177.39 176.84 3phy h ALA 16 N 1.70 0.94 -2.21 -1.18 0.00 -1.28 -3.31 119.26 113.91 3phy h ALA 16 Ca -0.15 -0.56 -0.57 0.00 0.00 0.00 0.00 54.91 53.62 3phy h ALA 16 Cb 1.36 -0.10 -0.42 0.00 0.00 0.00 0.00 17.79 18.64 3phy h ALA 16 CO 0.01 0.78 -0.74 1.17 0.00 0.00 0.00 179.25 180.47 3phy n LYS 17 N -3.75 2.64 -3.79 0.00 4.81 -1.24 -4.99 118.16 111.84 3phy n LYS 17 Ca -0.01 -4.52 -0.30 0.00 -0.87 0.00 0.00 58.31 52.61 3phy n LYS 17 Cb 0.63 -2.11 -0.15 0.00 0.02 0.00 0.00 35.03 33.42 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3phy s MET 18 N -3.02 0.96 -0.01 1.64 1.75 -1.25 -4.97 119.30 114.41 3phy s MET 18 Ca 0.45 -1.39 -0.24 0.00 -1.25 0.00 0.00 55.69 53.26 3phy s MET 18 Cb 0.26 -2.30 -0.17 0.00 2.84 0.00 0.00 34.83 35.45 3phy s MET 18 CO -0.10 -1.00 1.20 0.22 -0.65 0.00 0.00 175.02 174.68 3phy h ASP 19 N 7.78 -0.20 0.00 1.11 1.82 -1.93 -3.47 116.42 121.53 3phy h ASP 19 Ca -0.10 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 3phy h ASP 19 Cb 1.00 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.06 3phy h ASP 19 CO 0.49 0.22 0.00 0.47 -1.61 0.00 0.00 179.24 178.81 3phy n ASP 20 N -5.01 0.00 0.00 2.28 8.00 -1.26 -5.00 116.55 115.56 3phy n ASP 20 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3phy n ASP 20 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 21 N 0.00 1.25 0.16 0.44 0.00 -1.26 -4.99 105.19 100.79 3phy n GLY 21 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3phy n GLY 21 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3phy h GLN 22 N 0.00 0.23 -1.90 1.61 4.15 -1.93 -3.34 115.11 113.93 3phy h GLN 22 Ca 0.00 -0.01 -0.54 0.00 0.77 0.00 0.00 58.65 58.87 3phy h GLN 22 Cb 0.00 -0.05 -0.38 0.00 0.21 0.00 0.00 27.48 27.26 3phy h GLN 22 CO 0.00 0.16 -1.08 1.28 -1.93 0.00 0.00 178.83 177.25 3phy n LEU 23 N -5.05 0.04 -0.16 -2.39 4.32 -1.26 -4.89 117.00 107.61 3phy n LEU 23 Ca 0.02 -4.64 0.05 0.00 -0.02 0.00 0.00 56.01 51.42 3phy n LEU 23 Cb 0.15 0.65 -0.02 0.00 -1.62 0.00 0.00 43.42 42.58 3phy n LEU 23 CO 0.26 2.08 0.13 0.47 -1.22 0.00 0.00 177.39 179.11 3phy n ASP 24 N 1.37 1.01 -2.18 -1.43 9.92 -1.25 -4.47 116.55 119.52 3phy n ASP 24 Ca 0.21 -1.01 -0.20 0.00 -0.53 0.00 0.00 54.79 53.26 3phy n ASP 24 Cb 0.54 0.66 0.21 0.00 -0.64 0.00 0.00 41.12 41.89 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 25 N 1.05 4.34 0.71 0.44 0.00 -1.26 -2.95 105.19 107.52 3phy n GLY 25 Ca 0.04 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 3phy n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3phy n LEU 26 N -0.95 0.00 -0.80 0.99 4.77 -1.26 -4.96 117.00 114.79 3phy n LEU 26 Ca 0.56 -0.25 0.07 0.00 -0.03 0.00 0.00 56.01 56.36 3phy n LEU 26 Cb 1.62 -0.20 0.20 0.00 -2.33 0.00 0.00 43.42 42.72 3phy n LEU 26 CO 0.57 -1.03 0.67 0.00 -1.33 0.00 0.00 177.39 176.28 3phy n ALA 27 N -3.29 2.48 -2.74 -1.18 0.00 -1.26 -4.88 120.51 109.64 3phy n ALA 27 Ca -0.04 -1.52 -0.15 0.00 0.00 0.00 0.00 53.44 51.73 3phy n ALA 27 Cb 0.11 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 3phy n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3phy s PHE 28 N -1.59 1.15 -0.25 0.00 -0.12 -1.26 -3.16 117.98 112.75 3phy s PHE 28 Ca 0.31 -1.33 -0.06 0.00 -0.05 0.00 0.00 56.93 55.81 3phy s PHE 28 Cb 0.20 -0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 3phy s PHE 28 CO 0.15 -1.03 0.03 0.20 -0.05 0.00 0.00 175.22 174.52 3phy s GLY 29 N -3.24 1.72 -0.90 1.99 0.00 -0.52 -4.01 107.32 102.36 3phy s GLY 29 Ca 0.33 -1.22 -0.16 0.00 0.00 0.00 0.00 44.72 43.67 3phy s GLY 29 CO 0.20 0.53 0.97 0.00 0.00 0.00 0.00 173.10 174.79 3phy s ALA 30 N 1.54 3.77 0.34 3.20 0.00 -0.84 -2.33 121.76 127.45 3phy s ALA 30 Ca 0.05 -3.09 0.02 0.00 0.00 0.00 0.00 51.96 48.95 3phy s ALA 30 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 3phy s ALA 30 CO 0.01 -2.62 0.52 0.96 0.00 0.00 0.00 175.76 174.63 3phy s ILE 31 N 1.33 4.80 0.36 0.00 -5.25 -0.98 -3.16 121.20 118.30 3phy s ILE 31 Ca 0.26 -0.64 0.04 0.00 -0.99 0.00 0.00 60.65 59.31 3phy s ILE 31 Cb -0.07 -3.74 -0.03 0.00 2.95 0.00 0.00 42.46 41.57 3phy s ILE 31 CO -0.09 -0.42 0.14 -1.10 -1.79 0.00 0.00 174.94 171.68 3phy s GLN 32 N -4.28 1.77 -0.10 0.37 -0.21 -1.11 -1.40 119.66 114.71 3phy s GLN 32 Ca 0.41 -2.04 -0.23 0.00 0.02 0.00 0.00 55.36 53.52 3phy s GLN 32 Cb -0.10 -0.43 0.05 0.00 1.00 0.00 0.00 33.01 33.54 3phy s GLN 32 CO 0.34 -0.44 0.54 -0.51 -2.12 0.00 0.00 175.29 173.11 3phy s LEU 33 N -3.50 -0.09 0.44 2.90 1.43 0.30 -2.72 118.68 117.43 3phy s LEU 33 Ca 0.30 0.72 0.07 0.00 -1.03 0.00 0.00 54.13 54.19 3phy s LEU 33 Cb 0.04 2.00 0.01 0.00 0.03 0.00 0.00 46.19 48.27 3phy s LEU 33 CO 0.16 -0.41 0.59 -0.62 0.23 0.00 0.00 176.35 176.30 3phy s ASP 34 N -0.67 5.61 0.64 2.29 2.15 0.30 -2.08 116.67 124.92 3phy s ASP 34 Ca -0.08 -0.37 0.21 0.00 0.43 0.00 0.00 52.55 52.75 3phy s ASP 34 Cb -0.03 -0.69 1.07 0.00 -0.30 0.00 0.00 42.92 42.97 3phy s ASP 34 CO 0.05 -0.81 1.59 1.23 -0.17 0.00 0.00 175.17 177.06 3phy h GLY 35 N 0.57 0.00 -2.37 2.66 0.00 -1.91 0.45 103.07 102.48 3phy h GLY 35 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3phy h GLY 35 CO 0.46 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.22 3phy n ASP 36 N -2.99 3.55 -0.53 0.19 8.00 -1.26 -4.87 116.55 118.64 3phy n ASP 36 Ca 0.04 -2.25 -0.05 0.00 0.71 0.00 0.00 54.79 53.24 3phy n ASP 36 Cb 0.75 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 37 N 1.07 0.36 3.68 0.44 0.00 0.16 -4.97 105.19 105.93 3phy n GLY 37 Ca 0.20 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 3phy n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3phy s ASN 38 N -2.83 6.29 0.20 1.61 -0.87 -1.21 -1.97 114.94 116.16 3phy s ASN 38 Ca 0.00 0.33 -0.32 0.00 -1.57 0.00 0.00 52.86 51.30 3phy s ASN 38 Cb 0.00 -2.16 -0.14 0.00 -0.02 0.00 0.00 41.25 38.92 3phy s ASN 38 CO 0.00 0.02 1.39 0.00 -2.57 0.00 0.00 177.10 175.94 3phy n ILE 39 N 4.15 0.68 -0.09 0.60 0.13 -1.19 -0.54 119.36 123.10 3phy n ILE 39 Ca -0.12 -0.17 -0.10 0.00 -1.10 0.00 0.00 62.75 61.26 3phy n ILE 39 Cb 0.52 -1.31 -0.13 0.00 -0.84 0.00 0.00 39.64 37.88 3phy n ILE 39 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3phy n LEU 40 N 2.39 0.66 0.00 9.51 4.77 -1.10 -4.39 117.00 128.83 3phy n LEU 40 Ca 0.14 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3phy n LEU 40 Cb 0.29 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3phy n LEU 40 CO 0.62 0.53 0.20 0.00 -1.33 0.00 0.00 177.39 177.42 3phy n GLN 41 N -2.76 0.51 0.17 3.23 -0.00 -1.26 -4.93 117.38 112.34 3phy n GLN 41 Ca -0.31 -1.30 0.00 0.00 -0.00 0.00 0.00 57.00 55.39 3phy n GLN 41 Cb 1.04 1.45 0.00 0.00 -0.00 0.00 0.00 30.24 32.73 3phy n GLN 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 3phy n TYR 42 N -0.29 -4.14 0.00 2.61 9.36 -1.19 -2.74 117.16 120.77 3phy n TYR 42 Ca -0.03 1.20 0.00 0.00 3.32 0.00 0.00 57.90 62.39 3phy n TYR 42 Cb 0.31 3.11 0.00 0.00 -0.63 0.00 0.00 39.34 42.13 3phy n TYR 42 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3phy n ASN 43 N -3.20 0.00 -0.06 2.98 6.94 -1.26 -1.99 115.26 118.67 3phy n ASN 43 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.39 3phy n ASN 43 Cb 0.00 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.28 3phy n ASN 43 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3phy n ALA 44 N 0.89 1.26 -0.25 -2.53 0.00 -1.26 -4.07 120.51 114.56 3phy n ALA 44 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 53.44 52.56 3phy n ALA 44 Cb 0.00 -0.42 0.13 0.00 0.00 0.00 0.00 19.45 19.16 3phy n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3phy h ALA 45 N 0.32 0.70 -0.22 0.00 0.00 -1.79 -0.56 119.26 117.70 3phy h ALA 45 Ca -0.48 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3phy h ALA 45 Cb 2.02 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 3phy h ALA 45 CO 0.01 -0.42 0.12 1.05 0.00 0.00 0.00 179.25 180.01 3phy h GLU 46 N 0.08 0.31 0.00 0.00 -0.00 -1.77 -1.24 114.58 111.97 3phy h GLU 46 Ca 0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.71 3phy h GLU 46 Cb 0.66 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.35 3phy h GLU 46 CO -0.66 0.30 0.00 0.78 -0.00 0.00 0.00 179.01 179.44 3phy h GLY 47 N 0.25 0.00 1.77 1.06 0.00 -1.26 -0.80 103.07 104.09 3phy h GLY 47 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.16 3phy h GLY 47 CO -0.01 0.00 -1.16 -1.80 0.00 0.00 0.00 176.54 173.57 3phy h ASP 48 N 0.00 0.19 0.00 0.19 3.58 -0.32 0.33 116.42 120.39 3phy h ASP 48 Ca 0.00 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.12 3phy h ASP 48 Cb 0.05 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3phy h ASP 48 CO 0.00 1.17 -0.62 0.40 -2.88 0.00 0.00 179.24 177.31 3phy h ILE 49 N 0.03 1.26 0.00 2.25 1.08 -1.02 -3.36 117.51 117.76 3phy h ILE 49 Ca -0.08 -2.18 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 3phy h ILE 49 Cb 1.87 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 38.25 3phy h ILE 49 CO 0.16 0.43 -0.60 0.35 -0.69 0.00 0.00 178.15 177.80 3phy n THR 50 N -4.53 0.28 0.00 -0.27 -2.24 -0.75 -4.92 114.28 101.85 3phy n THR 50 Ca -0.20 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3phy n THR 50 Cb 0.56 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3phy n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3phy n GLY 51 N 1.37 1.92 3.27 3.38 0.00 0.11 -5.02 105.19 110.22 3phy n GLY 51 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3phy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy n ARG 52 N -2.00 -3.54 -4.31 1.61 1.74 -1.16 -4.83 116.66 104.18 3phy n ARG 52 Ca 0.00 -1.03 -0.18 0.00 -0.77 0.00 0.00 57.85 55.87 3phy n ARG 52 Cb 0.00 -1.91 -0.10 0.00 -1.02 0.00 0.00 32.46 29.42 3phy n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3phy s ASP 53 N -2.59 2.34 0.11 0.55 1.11 -1.26 -3.96 116.67 112.98 3phy s ASP 53 Ca 0.63 -0.98 -0.09 0.00 0.18 0.00 0.00 52.55 52.29 3phy s ASP 53 Cb -0.16 -0.10 -0.13 0.00 1.07 0.00 0.00 42.92 43.60 3phy s ASP 53 CO 0.58 -0.19 1.29 1.55 1.18 0.00 0.00 175.17 179.57 3phy h PRO 54 N 2.80 0.60 0.00 8.23 0.13 -1.94 -1.96 132.00 139.85 3phy h PRO 54 Ca -0.38 -0.58 -0.15 0.00 -0.87 0.00 0.00 66.00 64.02 3phy h PRO 54 Cb 1.21 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 3phy h PRO 54 CO 0.60 1.19 -1.30 1.57 -0.23 0.00 0.00 178.00 179.83 3phy h LYS 55 N 0.37 0.00 -0.10 0.86 2.10 -1.96 -3.30 116.57 114.53 3phy h LYS 55 Ca -0.08 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.35 3phy h LYS 55 Cb 1.54 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.87 3phy h LYS 55 CO 0.17 0.28 -0.80 0.37 -2.00 0.00 0.00 179.45 177.47 3phy h GLN 56 N 0.00 0.62 0.00 0.07 4.15 -1.97 -2.67 115.11 115.32 3phy h GLN 56 Ca -0.14 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 58.75 3phy h GLN 56 Cb 1.52 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.33 3phy h GLN 56 CO 0.04 1.15 0.00 1.33 -1.93 0.00 0.00 178.83 179.43 3phy n VAL 57 N -3.88 0.77 -2.22 2.39 0.24 -0.74 -4.40 118.33 110.49 3phy n VAL 57 Ca -0.07 0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 3phy n VAL 57 Cb 0.75 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 32.18 3phy n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3phy s ILE 58 N -2.85 3.83 0.00 1.34 1.01 -1.01 -1.20 121.20 122.34 3phy s ILE 58 Ca 0.10 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.87 3phy s ILE 58 Cb 0.11 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3phy s ILE 58 CO 0.28 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.77 3phy n GLY 59 N 3.75 3.28 3.71 6.18 0.00 -1.26 -5.02 105.19 115.84 3phy n GLY 59 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3phy n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy s LYS 60 N -0.70 4.56 0.02 1.61 -0.14 -0.34 -4.86 119.74 119.89 3phy s LYS 60 Ca 0.00 1.50 -0.30 0.00 -1.36 0.00 0.00 55.97 55.81 3phy s LYS 60 Cb 0.00 -3.42 -0.05 0.00 -1.68 0.00 0.00 37.83 32.68 3phy s LYS 60 CO 0.00 -0.04 1.22 -0.80 -0.76 0.00 0.00 175.35 174.97 3phy s ASN 61 N 0.82 7.04 0.10 2.83 0.02 -1.26 -3.14 114.94 121.35 3phy s ASN 61 Ca 0.52 1.97 0.09 0.00 -1.02 0.00 0.00 52.86 54.43 3phy s ASN 61 Cb -0.23 -2.57 0.46 0.00 0.02 0.00 0.00 41.25 38.93 3phy s ASN 61 CO 0.29 -0.53 1.29 0.33 0.02 0.00 0.00 177.10 178.50 3phy n PHE 62 N 4.45 0.24 -1.80 2.20 7.35 -0.83 -1.97 117.46 127.09 3phy n PHE 62 Ca 0.10 0.12 -0.00 0.00 -0.76 0.00 0.00 57.45 56.91 3phy n PHE 62 Cb 0.46 -0.69 0.15 0.00 0.35 0.00 0.00 39.48 39.75 3phy n PHE 62 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3phy n PHE 63 N -1.74 0.56 0.00 -5.13 3.72 -1.26 -3.28 117.46 110.33 3phy n PHE 63 Ca 0.00 -1.56 0.00 0.00 -0.05 0.00 0.00 57.45 55.85 3phy n PHE 63 Cb 0.05 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 3phy n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3phy n LYS 64 N -0.87 0.00 0.00 -1.08 4.81 -0.83 -4.85 118.16 115.34 3phy n LYS 64 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3phy n LYS 64 Cb 0.79 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.74 3phy n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3phy n ASP 65 N -2.10 0.85 -0.03 3.14 -0.08 -1.01 -4.67 116.55 112.65 3phy n ASP 65 Ca 0.00 -1.26 -0.02 0.00 -1.51 0.00 0.00 54.79 52.00 3phy n ASP 65 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3phy n VAL 66 N -0.13 0.38 -3.21 5.18 0.31 -1.09 -4.91 118.33 114.86 3phy n VAL 66 Ca 0.00 -0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.03 3phy n VAL 66 Cb 0.21 -0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 3phy n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3phy s ALA 67 N -2.20 -1.78 -1.56 3.52 0.00 -1.20 -4.97 121.76 113.56 3phy s ALA 67 Ca -0.03 -0.21 0.22 0.00 0.00 0.00 0.00 51.96 51.94 3phy s ALA 67 Cb 0.02 -2.54 1.18 0.00 0.00 0.00 0.00 23.12 21.78 3phy s ALA 67 CO 0.27 -2.20 1.73 -0.35 0.00 0.00 0.00 175.76 175.20 3phy n PRO 68 N 4.18 0.41 -0.03 0.00 -0.04 -1.26 -2.66 135.00 135.60 3phy n PRO 68 Ca 0.12 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.60 3phy n PRO 68 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 3phy n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3phy h THR 70 N 0.00 0.00 -0.59 0.00 1.35 -1.85 -3.40 112.91 108.42 3phy h THR 70 Ca -0.30 -0.20 -0.10 0.00 -0.55 0.00 0.00 66.41 65.26 3phy h THR 70 Cb 1.85 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3phy h THR 70 CO 0.04 0.00 0.33 1.51 -0.25 0.00 0.00 175.52 177.15 3phy s ASP 71 N -5.12 4.02 0.00 5.36 -4.77 -1.26 -2.28 116.67 112.63 3phy s ASP 71 Ca -0.02 0.21 -0.29 0.00 -3.30 0.00 0.00 52.55 49.15 3phy s ASP 71 Cb 0.10 -2.54 0.11 0.00 -1.09 0.00 0.00 42.92 39.50 3phy s ASP 71 CO 0.43 -3.68 1.26 -0.44 0.70 0.00 0.00 175.17 173.44 3phy s SER 72 N 11.03 -0.04 0.00 2.11 0.01 -1.26 -4.95 113.70 120.59 3phy s SER 72 Ca 0.93 -0.20 0.28 0.00 1.31 0.00 0.00 55.95 58.27 3phy s SER 72 Cb -0.13 0.19 1.46 0.00 0.21 0.00 0.00 66.02 67.75 3phy s SER 72 CO 0.11 -0.37 1.97 -0.81 0.41 0.00 0.00 173.24 174.55 3phy n PRO 73 N -0.60 0.50 -0.09 12.44 -0.04 -1.26 0.11 135.00 146.07 3phy n PRO 73 Ca -0.05 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 3phy n PRO 73 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 3phy n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3phy n GLU 74 N -1.22 1.09 -0.01 0.54 1.02 -1.26 -3.43 120.64 117.37 3phy n GLU 74 Ca 0.15 -0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.27 3phy n GLU 74 Cb 0.19 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3phy n PHE 75 N -2.66 0.00 0.37 -0.32 -0.00 -1.23 -4.13 117.46 109.50 3phy n PHE 75 Ca -0.29 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.30 3phy n PHE 75 Cb 1.08 -0.05 0.49 0.00 -0.00 0.00 0.00 39.48 40.99 3phy n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 3phy h TYR 76 N -0.10 0.00 0.66 -5.13 3.20 -0.93 -2.91 116.97 111.76 3phy h TYR 76 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3phy h TYR 76 Cb 0.10 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.38 3phy h TYR 76 CO -0.04 0.00 -0.32 0.78 -1.64 0.00 0.00 178.16 176.94 3phy h GLY 77 N 2.91 -0.93 2.00 1.82 0.00 -0.40 0.39 103.07 108.86 3phy h GLY 77 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3phy h GLY 77 CO 0.00 -0.34 0.00 0.28 0.00 0.00 0.00 176.54 176.48 3phy n LYS 78 N -4.97 0.17 0.09 4.80 4.76 -1.22 -1.45 118.16 120.33 3phy n LYS 78 Ca -0.11 0.53 -0.19 0.00 -2.87 0.00 0.00 58.31 55.67 3phy n LYS 78 Cb 0.35 -1.91 -0.14 0.00 -1.84 0.00 0.00 35.03 31.49 3phy n LYS 78 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3phy h PHE 79 N 0.00 0.58 0.00 2.13 3.04 -1.29 -0.77 116.94 120.62 3phy h PHE 79 Ca 0.00 -0.42 0.00 0.00 3.98 0.00 0.00 57.97 61.53 3phy h PHE 79 Cb 0.18 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.67 3phy h PHE 79 CO 0.00 1.43 0.00 1.63 -2.02 0.00 0.00 178.31 179.35 3phy n LYS 80 N -3.53 0.05 -0.07 1.11 4.76 0.10 -1.66 118.16 118.93 3phy n LYS 80 Ca -0.16 0.04 -0.19 0.00 -2.87 0.00 0.00 58.31 55.13 3phy n LYS 80 Cb 1.05 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 32.61 3phy n LYS 80 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3phy n GLU 81 N -1.47 0.70 -0.20 1.97 -0.58 -0.60 -3.35 120.64 117.11 3phy n GLU 81 Ca 0.07 0.20 -0.09 0.00 -0.42 0.00 0.00 57.16 56.92 3phy n GLU 81 Cb 0.30 -1.61 0.02 0.00 -0.57 0.00 0.00 31.44 29.58 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3phy h GLY 82 N 1.68 1.01 0.98 0.62 0.00 -1.08 0.64 103.07 106.92 3phy h GLY 82 Ca -0.51 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.16 3phy h GLY 82 CO -0.01 0.63 0.63 -2.08 0.00 0.00 0.00 176.54 175.71 3phy h VAL 83 N 0.83 1.22 -0.09 4.60 2.07 -1.48 -1.54 116.25 121.86 3phy h VAL 83 Ca 0.17 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3phy h VAL 83 Cb 0.42 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3phy h VAL 83 CO 0.01 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.83 3phy n ALA 84 N -2.36 2.50 -0.01 1.67 0.00 -0.94 -4.16 120.51 117.21 3phy n ALA 84 Ca 0.11 -0.64 0.07 0.00 0.00 0.00 0.00 53.44 52.99 3phy n ALA 84 Cb 0.03 -0.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 3phy n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3phy n SER 85 N 0.88 1.60 -0.04 0.00 2.88 0.22 -4.99 113.62 114.17 3phy n SER 85 Ca 0.17 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3phy n SER 85 Cb 0.49 1.67 -0.00 0.00 -0.75 0.00 0.00 64.21 65.62 3phy n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3phy n GLY 86 N 1.66 0.38 2.70 0.46 0.00 -0.63 -4.94 105.19 104.81 3phy n GLY 86 Ca -0.03 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 3phy n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3phy n ASN 87 N 1.93 -2.00 -4.64 1.61 2.85 -1.21 -5.10 115.26 108.71 3phy n ASN 87 Ca -0.00 -2.59 -0.43 0.00 -0.11 0.00 0.00 54.58 51.45 3phy n ASN 87 Cb 0.31 1.33 -0.02 0.00 1.24 0.00 0.00 39.78 42.64 3phy n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3phy s LEU 88 N -0.76 3.96 -0.41 1.20 0.20 -1.25 -4.78 118.68 116.83 3phy s LEU 88 Ca 0.27 1.59 0.06 0.00 0.69 0.00 0.00 54.13 56.73 3phy s LEU 88 Cb 0.24 -3.53 0.18 0.00 -0.43 0.00 0.00 46.19 42.65 3phy s LEU 88 CO -0.15 -1.14 0.70 0.21 -0.29 0.00 0.00 176.35 175.68 3phy s ASN 89 N 3.61 -1.37 0.29 3.68 3.84 -1.25 0.02 114.94 123.76 3phy s ASN 89 Ca 0.66 -0.84 0.04 0.00 0.21 0.00 0.00 52.86 52.93 3phy s ASN 89 Cb -0.23 1.76 -0.06 0.00 -0.55 0.00 0.00 41.25 42.17 3phy s ASN 89 CO 0.26 -0.14 0.03 0.28 -2.79 0.00 0.00 177.10 174.75 3phy s THR 90 N 1.71 1.17 -0.01 -5.21 -1.32 -0.78 -5.01 115.64 106.18 3phy s THR 90 Ca 0.18 -2.02 -0.23 0.00 -1.21 0.00 0.00 61.69 58.41 3phy s THR 90 Cb -0.02 -2.64 0.05 0.00 -1.51 0.00 0.00 72.50 68.38 3phy s THR 90 CO -0.08 -0.11 0.50 -0.32 -2.21 0.00 0.00 174.62 172.40 3phy s MET 91 N -3.87 0.90 0.05 7.08 1.75 -1.26 -2.39 119.30 121.55 3phy s MET 91 Ca 0.34 -0.03 -0.17 0.00 -1.25 0.00 0.00 55.69 54.58 3phy s MET 91 Cb 0.07 0.42 0.06 0.00 2.84 0.00 0.00 34.83 38.22 3phy s MET 91 CO 0.13 -0.28 0.77 1.97 -0.65 0.00 0.00 175.02 176.97 3phy n PHE 92 N 0.93 -0.67 -3.73 4.11 -1.74 -1.15 -5.02 117.46 110.19 3phy n PHE 92 Ca -0.20 -0.65 -0.37 0.00 -0.56 0.00 0.00 57.45 55.68 3phy n PHE 92 Cb 0.57 0.31 -0.11 0.00 1.52 0.00 0.00 39.48 41.77 3phy n PHE 92 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 3phy s GLU 93 N -2.02 2.10 0.60 3.97 2.12 -1.26 -2.22 118.70 121.99 3phy s GLU 93 Ca 0.18 -1.81 0.09 0.00 0.36 0.00 0.00 54.97 53.79 3phy s GLU 93 Cb -0.01 -3.65 0.10 0.00 0.26 0.00 0.00 34.13 30.82 3phy s GLU 93 CO 0.01 -1.10 0.83 -0.47 -0.54 0.00 0.00 175.26 174.00 3phy s TYR 94 N 1.19 1.32 -0.23 5.30 5.04 -1.16 -4.92 117.35 123.89 3phy s TYR 94 Ca 0.08 -0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 53.97 3phy s TYR 94 Cb -0.23 -2.28 0.10 0.00 0.35 0.00 0.00 41.96 39.90 3phy s TYR 94 CO -0.03 -1.27 0.21 0.99 -1.34 0.00 0.00 175.55 174.10 3phy s THR 95 N -2.74 -0.27 -0.47 4.34 2.01 -1.26 -1.97 115.64 115.28 3phy s THR 95 Ca 0.63 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 3phy s THR 95 Cb -0.05 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.70 3phy s THR 95 CO 0.40 -0.37 1.11 -0.36 -0.69 0.00 0.00 174.62 174.71 3phy s PHE 96 N 2.27 2.83 -0.30 4.92 0.08 0.23 -4.84 117.98 123.18 3phy s PHE 96 Ca 0.07 0.68 0.17 0.00 0.12 0.00 0.00 56.93 57.98 3phy s PHE 96 Cb -0.15 -4.38 0.48 0.00 -0.57 0.00 0.00 43.02 38.40 3phy s PHE 96 CO -0.21 -1.25 1.09 -0.40 -0.10 0.00 0.00 175.22 174.35 3phy n ASP 97 N 7.76 2.41 -4.75 1.36 5.68 -1.26 -2.39 116.55 125.35 3phy n ASP 97 Ca 0.11 -2.64 -0.40 0.00 -0.50 0.00 0.00 54.79 51.36 3phy n ASP 97 Cb 0.49 -0.47 -0.05 0.00 -1.14 0.00 0.00 41.12 39.95 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3phy s TYR 98 N -3.58 3.79 0.00 2.11 -0.85 -1.26 -4.39 117.35 113.17 3phy s TYR 98 Ca 0.33 1.81 0.00 0.00 -0.52 0.00 0.00 57.07 58.69 3phy s TYR 98 Cb 0.38 -3.12 0.00 0.00 0.38 0.00 0.00 41.96 39.59 3phy s TYR 98 CO -0.02 -0.02 0.00 0.00 -1.52 0.00 0.00 175.55 173.99 3phy n GLN 99 N 1.46 -0.04 -3.88 -3.49 10.64 -1.26 -4.62 117.38 116.20 3phy n GLN 99 Ca -0.01 -0.02 0.03 0.00 -1.83 0.00 0.00 57.00 55.17 3phy n GLN 99 Cb 0.46 0.03 0.01 0.00 -0.86 0.00 0.00 30.24 29.89 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 3phy n MET 100 N -0.07 0.17 -0.92 2.61 1.56 -1.26 -5.15 117.12 114.05 3phy n MET 100 Ca 0.00 -0.73 -0.30 0.00 -0.27 0.00 0.00 57.70 56.40 3phy n MET 100 Cb 0.00 1.20 0.16 0.00 2.15 0.00 0.00 33.22 36.73 3phy n MET 100 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3phy s THR 101 N -2.02 2.47 0.44 1.12 -4.23 -1.26 -4.90 115.64 107.25 3phy s THR 101 Ca 0.28 0.15 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 3phy s THR 101 Cb -0.01 -2.40 -0.09 0.00 1.34 0.00 0.00 72.50 71.34 3phy s THR 101 CO -0.01 -0.20 1.01 -2.16 -0.54 0.00 0.00 174.62 172.72 3phy s PRO 102 N -4.75 4.08 -0.19 3.99 0.04 -1.26 -4.58 135.00 132.32 3phy s PRO 102 Ca 0.65 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 3phy s PRO 102 Cb -0.21 -2.28 0.09 0.00 0.04 0.00 0.00 34.50 32.15 3phy s PRO 102 CO 0.58 -0.18 0.39 0.99 0.04 0.00 0.00 177.00 178.82 3phy s THR 103 N -1.94 -0.61 0.02 1.26 2.01 -1.01 -5.00 115.64 110.36 3phy s THR 103 Ca 0.62 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.68 3phy s THR 103 Cb -0.15 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 3phy s THR 103 CO 0.20 0.06 0.34 -0.75 -0.69 0.00 0.00 174.62 173.77 3phy s LYS 104 N 2.58 3.73 -0.01 4.92 2.20 -1.26 -0.60 119.74 131.29 3phy s LYS 104 Ca 0.00 0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.71 3phy s LYS 104 Cb -0.12 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3phy s LYS 104 CO -0.13 0.64 0.13 0.14 -0.36 0.00 0.00 175.35 175.78 3phy s VAL 105 N -1.24 0.06 -0.86 4.02 -7.23 -0.83 -2.11 120.40 112.21 3phy s VAL 105 Ca 0.27 -0.48 -0.25 0.00 -1.81 0.00 0.00 61.98 59.70 3phy s VAL 105 Cb -0.14 -0.35 0.03 0.00 0.56 0.00 0.00 36.38 36.48 3phy s VAL 105 CO 0.15 -0.26 1.42 -0.54 -0.31 0.00 0.00 175.10 175.55 3phy s LYS 106 N -0.91 3.28 0.34 4.82 3.01 -0.10 -2.98 119.74 127.20 3phy s LYS 106 Ca -0.10 -0.55 -0.11 0.00 -1.01 0.00 0.00 55.97 54.20 3phy s LYS 106 Cb -0.06 -4.73 -0.07 0.00 -1.01 0.00 0.00 37.83 31.96 3phy s LYS 106 CO 0.01 -2.28 0.70 0.14 0.51 0.00 0.00 175.35 174.43 3phy s VAL 107 N 5.87 4.81 -0.32 3.17 -7.23 -0.94 -1.27 120.40 124.49 3phy s VAL 107 Ca 0.43 0.62 0.06 0.00 -1.81 0.00 0.00 61.98 61.28 3phy s VAL 107 Cb -0.05 -3.68 0.19 0.00 0.56 0.00 0.00 36.38 33.41 3phy s VAL 107 CO 0.04 -0.32 0.61 -2.28 -0.31 0.00 0.00 175.10 172.84 3phy s HIS 108 N -2.13 -1.80 -0.05 2.82 5.04 -0.40 -2.94 115.29 115.83 3phy s HIS 108 Ca 0.50 0.87 -0.01 0.00 -1.54 0.00 0.00 55.06 54.88 3phy s HIS 108 Cb -0.10 0.31 -0.04 0.00 0.04 0.00 0.00 32.58 32.79 3phy s HIS 108 CO 0.25 -1.09 0.03 -1.64 -2.34 0.00 0.00 174.74 169.95 3phy s MET 109 N 2.59 2.98 0.00 2.88 1.00 -1.01 -1.70 119.30 126.05 3phy s MET 109 Ca 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 55.69 55.36 3phy s MET 109 Cb -0.08 -2.80 0.00 0.00 0.00 0.00 0.00 34.83 31.94 3phy s MET 109 CO -0.21 0.68 0.00 1.17 0.00 0.00 0.00 175.02 176.66 3phy n LYS 110 N 1.75 1.22 -3.69 2.03 4.81 0.45 -1.86 118.16 122.87 3phy n LYS 110 Ca -0.17 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 56.90 3phy n LYS 110 Cb 0.53 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.48 3phy n LYS 110 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3phy s LYS 111 N 0.25 2.25 -0.05 1.64 -2.85 0.10 -1.88 119.74 119.22 3phy s LYS 111 Ca 0.00 -1.91 -0.36 0.00 -1.00 0.00 0.00 55.97 52.70 3phy s LYS 111 Cb 0.00 -3.73 -0.14 0.00 -2.06 0.00 0.00 37.83 31.90 3phy s LYS 111 CO 0.00 -1.13 1.70 0.00 0.10 0.00 0.00 175.35 176.02 3phy n ALA 112 N 4.53 0.47 0.07 0.59 0.00 0.11 -4.82 120.51 121.45 3phy n ALA 112 Ca -0.02 0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.84 3phy n ALA 112 Cb 0.41 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.45 3phy n ALA 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3phy n LEU 113 N 4.97 0.08 -0.09 0.00 7.94 -1.26 -3.00 117.00 125.64 3phy n LEU 113 Ca 0.21 -0.09 0.25 0.00 -1.11 0.00 0.00 56.01 55.27 3phy n LEU 113 Cb 0.24 0.00 0.71 0.00 0.53 0.00 0.00 43.42 44.90 3phy n LEU 113 CO 0.71 0.02 1.23 0.28 -1.11 0.00 0.00 177.39 178.51 3phy h SER 114 N 0.00 0.00 0.00 1.96 0.02 -1.88 -3.41 113.55 110.24 3phy h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3phy h SER 114 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3phy h SER 114 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3phy n GLY 115 N -1.67 0.00 0.00 -3.77 0.00 -1.26 -5.06 105.19 93.42 3phy n GLY 115 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3phy n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3phy n ASP 116 N 0.00 0.00 0.00 1.61 8.00 -1.26 -5.10 116.55 119.80 3phy n ASP 116 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3phy n ASP 116 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3phy n SER 117 N -0.09 0.00 -4.00 -2.24 7.64 -1.16 -4.90 113.62 108.87 3phy n SER 117 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 3phy n SER 117 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 3phy n SER 117 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3phy s TYR 118 N 0.00 1.49 0.06 1.43 2.02 -0.88 -0.71 117.35 120.75 3phy s TYR 118 Ca 0.00 -0.61 0.07 0.00 -0.37 0.00 0.00 57.07 56.17 3phy s TYR 118 Cb 0.00 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 3phy s TYR 118 CO 0.00 -0.34 -0.20 1.67 -1.57 0.00 0.00 175.55 175.11 3phy s TRP 119 N 0.92 1.72 -0.18 2.71 1.48 -0.79 0.11 118.94 124.92 3phy s TRP 119 Ca -0.10 -0.39 0.01 0.00 -1.06 0.00 0.00 56.10 54.56 3phy s TRP 119 Cb -0.15 -1.00 0.03 0.00 -1.16 0.00 0.00 33.47 31.19 3phy s TRP 119 CO 0.01 0.12 -0.14 0.08 -4.06 0.00 0.00 176.95 172.96 3phy s VAL 120 N -0.94 1.72 -0.28 -0.66 1.01 -0.49 -0.41 120.40 120.35 3phy s VAL 120 Ca 0.06 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 3phy s VAL 120 Cb -0.09 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3phy s VAL 120 CO 0.03 0.36 0.17 -0.36 0.00 0.00 0.00 175.10 175.30 3phy s PHE 121 N 1.40 3.20 -0.35 5.22 0.08 -0.69 -2.31 117.98 124.53 3phy s PHE 121 Ca 0.02 0.04 -0.10 0.00 0.12 0.00 0.00 56.93 57.02 3phy s PHE 121 Cb -0.14 -2.36 0.02 0.00 -0.57 0.00 0.00 43.02 39.97 3phy s PHE 121 CO -0.10 -0.19 0.17 0.08 -0.10 0.00 0.00 175.22 175.08 3phy s VAL 122 N 1.74 4.40 0.28 -0.44 1.01 -0.98 -1.27 120.40 125.13 3phy s VAL 122 Ca 0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3phy s VAL 122 Cb -0.16 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3phy s VAL 122 CO 0.10 -0.14 0.54 -0.75 0.00 0.00 0.00 175.10 174.85 3phy s LYS 123 N 1.54 3.62 -0.21 2.72 2.47 -0.40 -1.44 119.74 128.05 3phy s LYS 123 Ca 0.02 -0.02 -0.19 0.00 -1.56 0.00 0.00 55.97 54.22 3phy s LYS 123 Cb -0.19 -2.67 -0.03 0.00 -1.46 0.00 0.00 37.83 33.49 3phy s LYS 123 CO 0.06 0.24 0.53 0.50 0.16 0.00 0.00 175.35 176.83 3phy s ARG 124 N -3.50 4.18 0.00 4.03 3.52 -1.19 -0.92 118.95 125.06 3phy s ARG 124 Ca 0.43 0.43 0.30 0.00 -0.13 0.00 0.00 55.73 56.76 3phy s ARG 124 Cb -0.11 -3.58 1.44 0.00 -1.56 0.00 0.00 34.95 31.15 3phy s ARG 124 CO 0.30 -0.19 1.96 0.28 -0.81 0.00 0.00 175.30 176.84