#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy s GLU 2 N 0.00 4.43 1.09 0.03 2.12 -1.26 -5.01 118.70 120.11 3phy s GLU 2 Ca 0.00 1.90 -0.18 0.00 0.36 0.00 0.00 54.97 57.05 3phy s GLU 2 Cb 0.00 -3.26 0.28 0.00 0.26 0.00 0.00 34.13 31.41 3phy s GLU 2 CO 0.00 -0.21 0.67 -2.39 -0.54 0.00 0.00 175.26 172.78 3phy n HIS 3 N 3.15 -3.39 -1.05 5.30 1.44 -1.26 -4.93 115.22 114.48 3phy n HIS 3 Ca 0.07 -0.63 -0.31 0.00 -2.01 0.00 0.00 57.72 54.84 3phy n HIS 3 Cb 0.44 -0.93 0.12 0.00 0.12 0.00 0.00 29.99 29.74 3phy n HIS 3 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3phy s VAL 4 N -1.88 2.83 0.04 0.61 1.01 -1.26 -5.05 120.40 116.70 3phy s VAL 4 Ca 0.51 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.77 3phy s VAL 4 Cb -0.09 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3phy s VAL 4 CO 0.42 -0.35 -0.06 0.00 0.00 0.00 0.00 175.10 175.11 3phy s ALA 5 N -2.79 0.48 0.01 5.51 0.00 -1.26 -5.00 121.76 118.72 3phy s ALA 5 Ca 0.64 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 3phy s ALA 5 Cb -0.19 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.91 3phy s ALA 5 CO 0.56 -0.08 1.01 0.35 0.00 0.00 0.00 175.76 177.61 3phy h PHE 6 N 4.41 -0.60 -0.58 0.00 3.04 -2.01 -1.80 116.94 119.39 3phy h PHE 6 Ca -0.35 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 61.76 3phy h PHE 6 Cb 1.20 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.89 3phy h PHE 6 CO 0.64 -0.37 0.47 0.78 -2.02 0.00 0.00 178.31 177.81 3phy h GLY 7 N -0.82 0.00 0.00 2.40 0.00 -1.97 -3.46 103.07 99.22 3phy h GLY 7 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3phy h GLY 7 CO 0.11 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.39 3phy n SER 8 N -4.09 -0.59 -4.54 0.19 2.88 -0.68 -3.15 113.62 103.64 3phy n SER 8 Ca 0.11 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.52 3phy n SER 8 Cb 0.70 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.06 3phy n SER 8 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3phy n GLU 9 N -0.16 0.22 -2.29 -1.46 2.13 -1.26 -4.25 120.64 113.57 3phy n GLU 9 Ca 0.00 -1.31 -0.16 0.00 0.66 0.00 0.00 57.16 56.35 3phy n GLU 9 Cb 0.00 -3.63 0.01 0.00 0.27 0.00 0.00 31.44 28.10 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3phy n ASP 10 N 18.41 -2.30 0.10 4.31 8.00 -1.24 -4.65 116.55 139.18 3phy n ASP 10 Ca 0.41 -0.15 -0.05 0.00 0.71 0.00 0.00 54.79 55.72 3phy n ASP 10 Cb 0.45 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.81 0.00 -1.64 0.53 1.08 -1.72 -2.28 117.51 114.29 3phy h ILE 11 Ca -0.26 0.00 0.48 0.00 -0.39 0.00 0.00 64.86 64.69 3phy h ILE 11 Cb 0.61 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.30 3phy h ILE 11 CO 0.11 0.00 1.23 -1.84 -0.69 0.00 0.00 178.15 176.96 3phy n GLU 12 N -3.03 0.00 -0.02 2.37 0.28 -1.26 -0.10 120.64 118.87 3phy n GLU 12 Ca -0.04 0.94 -0.10 0.00 -0.16 0.00 0.00 57.16 57.80 3phy n GLU 12 Cb 0.13 -2.18 -0.09 0.00 1.43 0.00 0.00 31.44 30.73 3phy n GLU 12 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 3phy h ASN 13 N 0.00 -0.05 -0.82 -1.84 4.21 -1.74 -3.01 115.58 112.32 3phy h ASN 13 Ca 0.78 -0.58 -0.04 0.00 1.21 0.00 0.00 56.30 57.67 3phy h ASN 13 Cb 3.22 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 40.40 3phy h ASN 13 CO -0.01 0.68 0.36 0.74 -1.29 0.00 0.00 177.43 177.91 3phy h THR 14 N -0.91 1.26 0.00 2.81 2.02 -0.18 -1.36 112.91 116.54 3phy h THR 14 Ca -0.01 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 3phy h THR 14 Cb 0.63 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3phy h THR 14 CO 0.01 0.33 -0.02 -0.07 0.37 0.00 0.00 175.52 176.14 3phy h LEU 15 N 1.19 0.00 0.00 2.58 3.38 -1.13 -0.03 115.31 121.29 3phy h LEU 15 Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 3phy h LEU 15 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3phy h LEU 15 CO -0.03 0.02 -1.17 0.00 0.09 0.00 0.00 178.44 177.35 3phy h ALA 16 N 1.98 0.60 -2.19 1.53 0.00 -1.13 -3.39 119.26 116.67 3phy h ALA 16 Ca -0.00 -0.47 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 3phy h ALA 16 Cb 0.07 0.15 -0.42 0.00 0.00 0.00 0.00 17.79 17.59 3phy h ALA 16 CO 0.00 0.52 -0.55 1.17 0.00 0.00 0.00 179.25 180.39 3phy n LYS 17 N -2.83 2.66 -1.81 0.00 4.81 -0.04 -5.08 118.16 115.87 3phy n LYS 17 Ca -0.05 -4.69 -0.34 0.00 -0.87 0.00 0.00 58.31 52.36 3phy n LYS 17 Cb 0.71 -2.27 0.05 0.00 0.02 0.00 0.00 35.03 33.55 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 -2.58 2.75 0.00 1.64 1.75 -1.11 -4.69 119.30 117.06 3phy s MET 18 Ca 0.40 1.62 0.00 0.00 -1.25 0.00 0.00 55.69 56.47 3phy s MET 18 Cb 0.16 -1.92 0.00 0.00 2.84 0.00 0.00 34.83 35.90 3phy s MET 18 CO -0.02 -1.33 0.00 -0.40 -0.65 0.00 0.00 175.02 172.62 3phy n ASP 19 N -2.13 0.00 -3.78 1.11 5.68 -1.26 -4.93 116.55 111.24 3phy n ASP 19 Ca 0.12 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.99 3phy n ASP 19 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3phy n ASP 19 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3phy n ASP 20 N 0.00 5.24 -1.41 -1.12 5.75 -1.26 -4.30 116.55 119.45 3phy n ASP 20 Ca 0.00 -3.04 -0.17 0.00 -0.01 0.00 0.00 54.79 51.57 3phy n ASP 20 Cb 0.00 -1.51 -0.06 0.00 -1.03 0.00 0.00 41.12 38.53 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3phy n GLY 21 N 2.97 1.24 3.75 6.12 0.00 -1.26 -2.57 105.19 115.44 3phy n GLY 21 Ca 0.46 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3phy n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3phy n GLN 22 N -2.53 -2.00 -4.44 1.61 6.02 -1.26 -1.39 117.38 113.38 3phy n GLN 22 Ca -0.17 0.46 -0.39 0.00 -0.01 0.00 0.00 57.00 56.88 3phy n GLN 22 Cb 0.57 -4.29 -0.08 0.00 1.02 0.00 0.00 30.24 27.46 3phy n GLN 22 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 3phy n LEU 23 N -4.25 -0.99 0.00 1.08 -0.00 -1.06 -4.59 117.00 107.19 3phy n LEU 23 Ca -0.16 -1.22 0.13 0.00 -0.00 0.00 0.00 56.01 54.76 3phy n LEU 23 Cb 0.62 -1.67 0.63 0.00 -0.00 0.00 0.00 43.42 43.00 3phy n LEU 23 CO 0.69 0.22 0.94 -0.90 -0.00 0.00 0.00 177.39 178.34 3phy n ASP 24 N -2.60 0.00 -2.22 1.45 5.68 -0.49 -3.20 116.55 115.18 3phy n ASP 24 Ca -0.00 0.17 -0.25 0.00 -0.50 0.00 0.00 54.79 54.20 3phy n ASP 24 Cb 0.52 -0.38 0.16 0.00 -1.14 0.00 0.00 41.12 40.28 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3phy n GLY 25 N 1.12 4.76 3.54 6.12 0.00 -1.26 -3.95 105.19 115.52 3phy n GLY 25 Ca 0.10 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 3phy n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3phy s LEU 26 N -3.39 3.74 0.14 0.99 1.43 -1.19 -4.94 118.68 115.45 3phy s LEU 26 Ca 0.58 -0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.70 3phy s LEU 26 Cb 0.48 -2.01 0.51 0.00 0.03 0.00 0.00 46.19 45.21 3phy s LEU 26 CO 0.09 -0.00 1.29 0.00 0.23 0.00 0.00 176.35 177.95 3phy n ALA 27 N 4.72 1.02 -4.07 4.21 0.00 -1.26 -4.25 120.51 120.87 3phy n ALA 27 Ca -0.15 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 3phy n ALA 27 Cb 0.52 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.24 2.72 0.58 0.00 -0.71 -1.26 -3.23 117.98 112.83 3phy s PHE 28 Ca -0.01 -1.71 -0.19 0.00 -1.04 0.00 0.00 56.93 53.97 3phy s PHE 28 Cb 0.03 -1.82 -0.05 0.00 -1.21 0.00 0.00 43.02 39.96 3phy s PHE 28 CO 0.09 -0.79 1.00 0.41 -1.34 0.00 0.00 175.22 174.58 3phy n GLY 29 N 4.62 -0.23 2.82 1.99 0.00 0.26 -4.63 105.19 110.02 3phy n GLY 29 Ca -0.18 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 3phy n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3phy s ALA 30 N -1.47 1.89 0.25 4.61 0.00 -1.19 -1.01 121.76 124.85 3phy s ALA 30 Ca 0.74 -1.85 0.07 0.00 0.00 0.00 0.00 51.96 50.92 3phy s ALA 30 Cb -0.43 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 3phy s ALA 30 CO 0.48 -1.63 0.20 0.96 0.00 0.00 0.00 175.76 175.78 3phy s ILE 31 N 1.43 4.48 0.45 0.00 -5.25 -1.16 -3.92 121.20 117.23 3phy s ILE 31 Ca 0.09 -1.39 0.04 0.00 -0.99 0.00 0.00 60.65 58.40 3phy s ILE 31 Cb -0.18 -3.42 -0.04 0.00 2.95 0.00 0.00 42.46 41.77 3phy s ILE 31 CO -0.19 -0.35 0.03 -1.10 -1.79 0.00 0.00 174.94 171.53 3phy s GLN 32 N -3.85 2.03 0.00 0.37 -0.21 -1.24 -0.95 119.66 115.82 3phy s GLN 32 Ca 0.33 -2.23 -0.21 0.00 0.02 0.00 0.00 55.36 53.26 3phy s GLN 32 Cb -0.08 -1.38 0.04 0.00 1.00 0.00 0.00 33.01 32.59 3phy s GLN 32 CO 0.25 -0.26 0.47 -0.51 -2.12 0.00 0.00 175.29 173.12 3phy s LEU 33 N -3.75 0.18 0.34 2.90 1.43 0.94 -2.86 118.68 117.86 3phy s LEU 33 Ca 0.20 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.62 3phy s LEU 33 Cb 0.05 1.87 -0.01 0.00 0.03 0.00 0.00 46.19 48.12 3phy s LEU 33 CO 0.10 -0.59 0.42 -0.62 0.23 0.00 0.00 176.35 175.89 3phy s ASP 34 N -1.56 5.72 0.65 2.29 2.15 0.35 -2.22 116.67 124.05 3phy s ASP 34 Ca -0.10 -0.31 0.11 0.00 0.43 0.00 0.00 52.55 52.68 3phy s ASP 34 Cb -0.02 -1.10 0.53 0.00 -0.30 0.00 0.00 42.92 42.03 3phy s ASP 34 CO 0.03 -0.43 1.28 1.23 -0.17 0.00 0.00 175.17 177.11 3phy h GLY 35 N 0.99 0.00 -2.76 2.66 0.00 -1.91 0.29 103.07 102.34 3phy h GLY 35 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3phy h GLY 35 CO 0.54 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.30 3phy n ASP 36 N -2.70 5.00 -0.47 0.19 9.92 -1.26 -4.89 116.55 122.34 3phy n ASP 36 Ca 0.02 -2.98 -0.05 0.00 -0.53 0.00 0.00 54.79 51.25 3phy n ASP 36 Cb 0.89 -0.63 -0.01 0.00 -0.64 0.00 0.00 41.12 40.72 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 37 N 0.15 0.45 3.67 0.44 0.00 0.10 -4.93 105.19 105.07 3phy n GLY 37 Ca 0.25 -0.76 -0.39 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 -2.86 6.68 0.36 1.61 0.01 -1.21 -2.23 114.94 117.30 3phy s ASN 38 Ca 0.00 0.82 -0.28 0.00 -0.71 0.00 0.00 52.86 52.69 3phy s ASN 38 Cb 0.00 -2.33 -0.11 0.00 0.41 0.00 0.00 41.25 39.22 3phy s ASN 38 CO 0.00 -0.19 1.49 0.00 -1.51 0.00 0.00 177.10 176.89 3phy n ILE 39 N 4.42 1.84 -0.06 0.60 0.13 -1.19 -0.50 119.36 124.60 3phy n ILE 39 Ca -0.03 -0.46 -0.06 0.00 -1.10 0.00 0.00 62.75 61.10 3phy n ILE 39 Cb 0.50 -1.95 -0.09 0.00 -0.84 0.00 0.00 39.64 37.26 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 0.75 0.39 0.00 9.51 4.77 -1.13 -4.10 117.00 127.19 3phy n LEU 40 Ca 0.03 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 3phy n LEU 40 Cb 0.38 0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 3phy n LEU 40 CO 0.64 0.35 0.30 0.00 -1.33 0.00 0.00 177.39 177.35 3phy n GLN 41 N -2.50 0.69 0.00 3.23 -0.00 -1.26 -4.93 117.38 112.61 3phy n GLN 41 Ca -0.20 -1.55 0.00 0.00 -0.00 0.00 0.00 57.00 55.25 3phy n GLN 41 Cb 0.87 1.82 0.00 0.00 -0.00 0.00 0.00 30.24 32.93 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 -0.36 -1.80 0.00 2.61 9.36 -1.25 -3.58 117.16 122.14 3phy n TYR 42 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3phy n TYR 42 Cb 0.39 0.36 0.00 0.00 -0.63 0.00 0.00 39.34 39.46 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 -2.08 0.00 -0.04 2.98 6.94 -1.26 -3.13 115.26 118.67 3phy n ASN 43 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 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 0.52 1.90 0.04 -2.53 0.00 -1.26 -4.17 120.51 115.01 3phy n ALA 44 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.47 3phy n ALA 44 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 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 1.34 -0.75 0.17 0.00 0.00 -1.81 0.26 119.26 118.46 3phy h ALA 45 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3phy h ALA 45 Cb 1.77 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 20.28 3phy h ALA 45 CO 0.03 -0.84 -0.17 1.05 0.00 0.00 0.00 179.25 179.32 3phy h GLU 46 N -0.37 -0.36 0.00 0.00 4.11 -1.85 -0.70 114.58 115.41 3phy h GLU 46 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3phy h GLU 46 Cb 0.39 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3phy h GLU 46 CO -0.19 -0.24 0.06 0.78 0.07 0.00 0.00 179.01 179.49 3phy h GLY 47 N -0.38 0.00 1.69 1.06 0.00 -1.60 0.07 103.07 103.91 3phy h GLY 47 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3phy h GLY 47 CO -0.04 0.00 -1.19 -1.80 0.00 0.00 0.00 176.54 173.50 3phy h ASP 48 N 0.00 0.36 0.00 0.19 1.82 0.11 0.21 116.42 119.12 3phy h ASP 48 Ca 0.00 -0.39 -0.06 0.00 -0.39 0.00 0.00 57.03 56.19 3phy h ASP 48 Cb 0.12 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 3phy h ASP 48 CO 0.00 1.30 -0.45 0.40 -1.61 0.00 0.00 179.24 178.87 3phy h ILE 49 N 0.07 0.76 0.00 2.25 1.08 -0.87 -3.38 117.51 117.42 3phy h ILE 49 Ca -0.11 -1.71 -0.08 0.00 -0.39 0.00 0.00 64.86 62.57 3phy h ILE 49 Cb 1.93 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 37.24 3phy h ILE 49 CO 0.19 0.26 -0.76 0.71 -0.69 0.00 0.00 178.15 177.86 3phy h THR 50 N -1.00 0.40 0.00 -0.27 1.35 -1.40 -3.48 112.91 108.52 3phy h THR 50 Ca -0.10 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3phy h THR 50 Cb 0.75 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3phy h THR 50 CO -0.06 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 3phy n GLY 51 N 1.24 1.33 3.42 5.82 0.00 0.74 -5.00 105.19 112.74 3phy n GLY 51 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.51 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 0.67 -2.15 1.61 1.74 -1.22 -4.83 116.66 110.48 3phy n ARG 52 Ca 0.00 0.15 -0.33 0.00 -0.77 0.00 0.00 57.85 56.90 3phy n ARG 52 Cb 0.00 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.23 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 7.87 5.91 -0.09 0.55 1.11 -1.26 -3.73 116.67 127.03 3phy s ASP 53 Ca 1.15 1.84 -0.27 0.00 0.18 0.00 0.00 52.55 55.45 3phy s ASP 53 Cb -0.98 -2.54 -0.25 0.00 1.07 0.00 0.00 42.92 40.22 3phy s ASP 53 CO 0.50 -1.08 0.93 1.55 1.18 0.00 0.00 175.17 178.25 3phy h PRO 54 N 0.67 0.08 0.00 8.23 0.13 -1.91 -1.93 132.00 137.28 3phy h PRO 54 Ca -0.47 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 3phy h PRO 54 Cb 1.22 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3phy h PRO 54 CO 0.58 0.92 0.00 -0.22 -0.23 0.00 0.00 178.00 179.05 3phy h LYS 55 N -0.72 0.00 0.12 0.86 3.64 -1.96 -2.85 116.57 115.65 3phy h LYS 55 Ca -0.02 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.03 3phy h LYS 55 Cb 0.98 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3phy h LYS 55 CO 0.03 0.00 -1.75 0.37 -2.27 0.00 0.00 179.45 175.82 3phy h GLN 56 N 0.00 0.25 0.00 1.90 5.75 -1.96 -3.31 115.11 117.74 3phy h GLN 56 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 3phy h GLN 56 Cb 0.67 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.38 3phy h GLN 56 CO 0.00 1.21 0.00 1.33 -2.65 0.00 0.00 178.83 178.72 3phy n VAL 57 N -3.71 0.38 -2.19 2.39 0.24 -0.72 -4.54 118.33 110.18 3phy n VAL 57 Ca -0.29 0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 3phy n VAL 57 Cb 0.98 -0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.55 3.75 0.00 1.34 1.01 -1.08 -1.63 121.20 122.04 3phy s ILE 58 Ca 0.19 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.89 3phy s ILE 58 Cb 0.13 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3phy s ILE 58 CO 0.30 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3phy n GLY 59 N 3.78 2.57 3.75 6.18 0.00 -1.26 -5.02 105.19 115.20 3phy n GLY 59 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.62 4.83 -0.81 1.61 -0.14 -0.64 -4.81 119.74 119.16 3phy s LYS 60 Ca 0.00 1.53 -0.26 0.00 -1.36 0.00 0.00 55.97 55.88 3phy s LYS 60 Cb 0.00 -3.27 0.03 0.00 -1.68 0.00 0.00 37.83 32.91 3phy s LYS 60 CO 0.00 0.47 1.35 -0.80 -0.76 0.00 0.00 175.35 175.62 3phy s ASN 61 N -1.12 6.19 0.33 2.83 0.02 -1.26 -3.16 114.94 118.77 3phy s ASN 61 Ca 0.42 -0.67 0.12 0.00 -1.02 0.00 0.00 52.86 51.71 3phy s ASN 61 Cb -0.27 -2.56 0.98 0.00 0.02 0.00 0.00 41.25 39.42 3phy s ASN 61 CO 0.33 -1.79 1.70 0.15 0.02 0.00 0.00 177.10 177.51 3phy h PHE 62 N 10.19 0.97 0.00 2.20 3.57 -1.80 1.26 116.94 133.33 3phy h PHE 62 Ca -0.16 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.28 3phy h PHE 62 Cb 1.04 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3phy h PHE 62 CO 1.16 -0.04 -0.93 0.74 -2.23 0.00 0.00 178.31 177.02 3phy h PHE 63 N 0.47 0.00 -0.74 0.41 0.04 -1.83 -2.02 116.94 113.28 3phy h PHE 63 Ca 0.68 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 61.11 3phy h PHE 63 Cb 1.42 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 39.17 3phy h PHE 63 CO -0.01 0.39 -1.08 1.17 -0.60 0.00 0.00 178.31 178.19 3phy n LYS 64 N -2.97 1.90 0.00 1.51 4.81 0.09 -4.40 118.16 119.10 3phy n LYS 64 Ca -0.03 -3.58 0.00 0.00 -0.87 0.00 0.00 58.31 53.83 3phy n LYS 64 Cb 0.73 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 34.15 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 -0.43 0.00 0.03 3.14 2.03 0.41 -4.66 116.55 117.07 3phy n ASP 65 Ca 0.15 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.44 3phy n ASP 65 Cb 0.82 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.21 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3phy n VAL 66 N -0.00 1.17 -3.56 5.18 0.31 -0.70 -4.77 118.33 115.94 3phy n VAL 66 Ca 0.00 0.34 -0.41 0.00 -0.01 0.00 0.00 64.34 64.27 3phy n VAL 66 Cb 0.00 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.18 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 -2.09 3.35 -2.00 3.52 0.00 -0.76 -4.92 121.76 118.86 3phy s ALA 67 Ca -0.03 -2.28 0.21 0.00 0.00 0.00 0.00 51.96 49.86 3phy s ALA 67 Cb 0.01 -2.75 1.26 0.00 0.00 0.00 0.00 23.12 21.63 3phy s ALA 67 CO 0.04 -1.74 1.68 -0.35 0.00 0.00 0.00 175.76 175.39 3phy n PRO 68 N 4.94 0.78 -0.01 0.00 -0.04 -1.26 -2.95 135.00 136.46 3phy n PRO 68 Ca -0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 3phy n PRO 68 Cb 0.42 -1.42 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 3phy n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3phy n THR 70 N -2.06 0.02 -2.01 0.00 -2.24 -1.15 -4.05 114.28 102.79 3phy n THR 70 Ca -0.04 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 3phy n THR 70 Cb 0.44 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3phy n THR 70 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3phy n ASP 71 N -0.68 7.35 -3.85 3.42 2.03 -1.26 -1.11 116.55 122.44 3phy n ASP 71 Ca 0.18 -3.46 -0.20 0.00 0.52 0.00 0.00 54.79 51.83 3phy n ASP 71 Cb 0.13 -1.21 -0.09 0.00 -0.72 0.00 0.00 41.12 39.23 3phy n ASP 71 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3phy s SER 72 N -0.41 1.78 -1.26 1.67 0.01 -1.26 -4.91 113.70 109.32 3phy s SER 72 Ca 0.51 -1.63 -0.19 0.00 1.31 0.00 0.00 55.95 55.95 3phy s SER 72 Cb 0.30 0.46 0.01 0.00 0.21 0.00 0.00 66.02 67.00 3phy s SER 72 CO -0.22 -0.94 1.87 -0.81 0.41 0.00 0.00 173.24 173.55 3phy n PRO 73 N -0.65 2.67 0.00 12.44 -0.04 -1.26 -1.24 135.00 146.92 3phy n PRO 73 Ca 0.01 -2.90 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 3phy n PRO 73 Cb 0.64 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 3phy n PRO 73 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3phy n GLU 74 N 7.94 0.00 -0.02 0.54 2.13 -1.26 -4.84 120.64 125.13 3phy n GLU 74 Ca 0.49 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.28 3phy n GLU 74 Cb 0.45 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.15 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3phy n PHE 75 N 0.00 0.00 0.23 4.31 -0.00 -1.15 -4.18 117.46 116.67 3phy n PHE 75 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 3phy n PHE 75 Cb 0.00 -0.14 0.28 0.00 -0.00 0.00 0.00 39.48 39.62 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 -0.29 0.00 0.76 -5.13 3.20 -0.73 -2.87 116.97 111.91 3phy h TYR 76 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3phy h TYR 76 Cb 0.29 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.56 3phy h TYR 76 CO -0.12 0.04 -0.37 0.78 -1.64 0.00 0.00 178.16 176.86 3phy h GLY 77 N 3.47 -1.07 2.00 1.82 0.00 -1.42 0.82 103.07 108.69 3phy h GLY 77 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3phy h GLY 77 CO 0.01 -0.39 0.00 0.50 0.00 0.00 0.00 176.54 176.66 3phy h LYS 78 N -1.24 0.00 0.13 4.80 1.79 -1.72 -1.50 116.57 118.83 3phy h LYS 78 Ca -0.10 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.05 3phy h LYS 78 Cb 0.79 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.43 3phy h LYS 78 CO 0.17 0.00 -1.55 0.35 -1.08 0.00 0.00 179.45 177.34 3phy h PHE 79 N 0.00 0.51 0.00 -1.35 3.04 -1.29 -1.53 116.94 116.32 3phy h PHE 79 Ca 0.00 -0.37 0.00 0.00 3.98 0.00 0.00 57.97 61.58 3phy h PHE 79 Cb 0.24 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.73 3phy h PHE 79 CO 0.00 1.42 0.00 1.63 -2.02 0.00 0.00 178.31 179.34 3phy n LYS 80 N -3.48 0.05 -0.09 1.11 5.02 0.26 -1.72 118.16 119.31 3phy n LYS 80 Ca -0.17 0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 56.03 3phy n LYS 80 Cb 1.05 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 34.36 3phy n LYS 80 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3phy n GLU 81 N -1.65 0.68 -0.13 1.97 -0.00 -0.65 -3.51 120.64 117.35 3phy n GLU 81 Ca 0.06 0.13 -0.12 0.00 -0.00 0.00 0.00 57.16 57.24 3phy n GLU 81 Cb 0.34 -1.58 0.00 0.00 -0.00 0.00 0.00 31.44 30.20 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 3phy h GLY 82 N 2.61 1.03 0.84 -1.84 0.00 -1.26 -0.16 103.07 104.30 3phy h GLY 82 Ca -0.52 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 45.82 3phy h GLY 82 CO -0.01 0.88 -0.32 -2.08 0.00 0.00 0.00 176.54 175.01 3phy h VAL 83 N 0.80 0.35 0.00 4.60 2.07 -1.50 -0.70 116.25 121.87 3phy h VAL 83 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3phy h VAL 83 Cb 0.87 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3phy h VAL 83 CO 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.66 3phy h ALA 84 N -0.34 1.01 0.00 1.67 0.00 -1.58 -2.19 119.26 117.82 3phy h ALA 84 Ca -0.06 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3phy h ALA 84 Cb 0.64 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3phy h ALA 84 CO 0.05 0.01 -0.82 0.77 0.00 0.00 0.00 179.25 179.26 3phy h SER 85 N 0.00 0.00 0.00 0.00 0.02 -0.10 -3.47 113.55 109.99 3phy h SER 85 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3phy h SER 85 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3phy h SER 85 CO 0.00 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 177.12 3phy n GLY 86 N 1.00 0.68 2.68 -3.77 0.00 -0.36 -4.93 105.19 100.48 3phy n GLY 86 Ca -0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 3phy n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3phy n ASN 87 N 1.41 -1.46 -4.66 1.61 0.23 -1.12 -5.08 115.26 106.19 3phy n ASN 87 Ca 0.00 -2.21 -0.54 0.00 -0.53 0.00 0.00 54.58 51.30 3phy n ASN 87 Cb 0.14 1.27 -0.06 0.00 -2.08 0.00 0.00 39.78 39.06 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3phy n LEU 88 N 0.24 2.27 -3.14 -4.53 7.94 -1.18 -4.76 117.00 113.85 3phy n LEU 88 Ca -0.07 1.08 0.01 0.00 -1.11 0.00 0.00 56.01 55.92 3phy n LEU 88 Cb 0.73 -1.21 -0.01 0.00 0.53 0.00 0.00 43.42 43.47 3phy n LEU 88 CO -0.08 -0.62 0.12 0.21 -1.11 0.00 0.00 177.39 175.92 3phy s ASN 89 N 2.22 -1.45 0.24 1.96 3.84 -1.26 -0.61 114.94 119.89 3phy s ASN 89 Ca 0.91 -0.84 -0.18 0.00 0.21 0.00 0.00 52.86 52.96 3phy s ASN 89 Cb -0.96 1.86 0.02 0.00 -0.55 0.00 0.00 41.25 41.62 3phy s ASN 89 CO 0.55 -0.15 0.60 0.28 -2.79 0.00 0.00 177.10 175.59 3phy s THR 90 N 1.75 0.01 0.23 -5.21 -1.32 -1.00 -5.04 115.64 105.05 3phy s THR 90 Ca 0.17 -1.01 -0.06 0.00 -1.21 0.00 0.00 61.69 59.58 3phy s THR 90 Cb -0.03 -1.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.03 3phy s THR 90 CO -0.07 -0.03 0.30 0.00 -2.21 0.00 0.00 174.62 172.61 3phy s MET 91 N -3.93 1.38 -0.22 7.08 0.23 -1.26 -1.88 119.30 120.70 3phy s MET 91 Ca 0.13 -1.46 -0.35 0.00 -1.03 0.00 0.00 55.69 52.98 3phy s MET 91 Cb -0.03 0.37 0.15 0.00 -1.53 0.00 0.00 34.83 33.78 3phy s MET 91 CO 0.04 -0.52 1.25 -0.59 -2.03 0.00 0.00 175.02 173.18 3phy s PHE 92 N -4.07 -0.10 -0.33 3.16 -0.12 -1.19 -4.98 117.98 110.36 3phy s PHE 92 Ca 0.31 0.08 -0.19 0.00 -0.05 0.00 0.00 56.93 57.09 3phy s PHE 92 Cb 0.03 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 3phy s PHE 92 CO 0.11 -0.15 0.57 -1.21 -0.05 0.00 0.00 175.22 174.49 3phy s GLU 93 N -2.11 3.77 0.27 1.99 0.41 -1.26 -1.65 118.70 120.11 3phy s GLU 93 Ca 0.09 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.73 3phy s GLU 93 Cb -0.01 -3.76 -0.00 0.00 -1.78 0.00 0.00 34.13 28.57 3phy s GLU 93 CO -0.04 -0.60 0.02 0.98 -0.49 0.00 0.00 175.26 175.13 3phy n TYR 94 N 5.81 0.52 -3.50 1.61 9.36 -1.10 -5.02 117.16 124.84 3phy n TYR 94 Ca -0.03 -1.38 -0.11 0.00 3.32 0.00 0.00 57.90 59.70 3phy n TYR 94 Cb 0.49 -0.14 -0.10 0.00 -0.63 0.00 0.00 39.34 38.96 3phy n TYR 94 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3phy s THR 95 N -2.09 -0.55 -0.27 2.97 2.01 -1.26 -2.82 115.64 113.64 3phy s THR 95 Ca 0.03 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 3phy s THR 95 Cb 0.00 -0.70 -0.00 0.00 0.01 0.00 0.00 72.50 71.81 3phy s THR 95 CO 0.02 -0.04 0.80 -0.36 -0.69 0.00 0.00 174.62 174.35 3phy s PHE 96 N 2.52 3.26 -0.20 4.92 0.08 0.08 -4.88 117.98 123.77 3phy s PHE 96 Ca 0.07 0.99 0.18 0.00 0.12 0.00 0.00 56.93 58.28 3phy s PHE 96 Cb -0.14 -3.11 0.46 0.00 -0.57 0.00 0.00 43.02 39.66 3phy s PHE 96 CO -0.13 -0.46 1.16 -0.25 -0.10 0.00 0.00 175.22 175.44 3phy n ASP 97 N 6.08 2.32 -4.57 1.36 9.92 -1.26 -1.88 116.55 128.52 3phy n ASP 97 Ca 0.05 -2.79 -0.43 0.00 -0.53 0.00 0.00 54.79 51.09 3phy n ASP 97 Cb 0.48 -0.41 -0.00 0.00 -0.64 0.00 0.00 41.12 40.54 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3phy s TYR 98 N -2.77 2.80 -0.68 1.24 1.13 -1.26 -4.00 117.35 113.80 3phy s TYR 98 Ca 0.37 -1.60 0.00 0.00 -1.41 0.00 0.00 57.07 54.43 3phy s TYR 98 Cb 0.37 -4.73 0.00 0.00 -1.10 0.00 0.00 41.96 36.50 3phy s TYR 98 CO -0.05 -1.80 0.00 1.04 -2.51 0.00 0.00 175.55 172.23 3phy n GLN 99 N 8.29 -0.57 -4.00 -3.49 1.13 -1.26 -5.00 117.38 112.48 3phy n GLN 99 Ca 0.47 0.47 -0.09 0.00 -1.94 0.00 0.00 57.00 55.91 3phy n GLN 99 Cb 0.46 -4.36 -0.06 0.00 0.11 0.00 0.00 30.24 26.39 3phy n GLN 99 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 3phy s MET 100 N -3.88 1.43 1.13 -1.09 1.75 -1.26 -5.15 119.30 112.23 3phy s MET 100 Ca 0.00 -1.25 -0.18 0.00 -1.25 0.00 0.00 55.69 53.00 3phy s MET 100 Cb 0.00 0.44 0.13 0.00 2.84 0.00 0.00 34.83 38.23 3phy s MET 100 CO 0.00 -0.58 0.07 0.25 -0.65 0.00 0.00 175.02 174.11 3phy n THR 101 N -0.34 0.00 -2.36 10.11 -2.24 -1.26 -4.64 114.28 113.55 3phy n THR 101 Ca -0.03 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 3phy n THR 101 Cb 0.63 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 3phy n THR 101 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3phy n PRO 102 N -2.22 2.65 -2.38 -0.78 -0.04 -1.26 -4.41 135.00 126.55 3phy n PRO 102 Ca 0.01 -2.98 -0.41 0.00 -0.04 0.00 0.00 63.50 60.08 3phy n PRO 102 Cb 0.60 -3.56 -0.03 0.00 -0.04 0.00 0.00 33.50 30.47 3phy n PRO 102 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3phy s THR 103 N 6.36 3.68 0.06 0.52 2.01 -0.79 -4.89 115.64 122.59 3phy s THR 103 Ca 0.58 1.34 0.03 0.00 0.31 0.00 0.00 61.69 63.95 3phy s THR 103 Cb 0.03 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3phy s THR 103 CO 0.09 0.18 0.05 -0.54 -0.69 0.00 0.00 174.62 173.71 3phy s LYS 104 N 0.16 2.82 -0.24 4.92 3.01 -1.26 -0.74 119.74 128.41 3phy s LYS 104 Ca 0.55 -0.68 -0.23 0.00 -1.01 0.00 0.00 55.97 54.59 3phy s LYS 104 Cb -0.32 -2.69 0.06 0.00 -1.01 0.00 0.00 37.83 33.87 3phy s LYS 104 CO 0.34 0.58 0.66 0.14 0.51 0.00 0.00 175.35 177.58 3phy s VAL 105 N -1.30 0.00 -0.06 3.17 -7.23 -1.13 -2.30 120.40 111.56 3phy s VAL 105 Ca 0.26 -0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.20 3phy s VAL 105 Cb -0.12 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 3phy s VAL 105 CO 0.18 -0.00 0.66 -1.59 -0.31 0.00 0.00 175.10 174.04 3phy s LYS 106 N 0.28 4.41 0.25 4.82 0.00 -0.31 -2.72 119.74 126.48 3phy s LYS 106 Ca -0.00 0.82 0.07 0.00 0.00 0.00 0.00 55.97 56.85 3phy s LYS 106 Cb -0.04 -3.43 -0.03 0.00 0.00 0.00 0.00 37.83 34.32 3phy s LYS 106 CO 0.01 0.13 0.23 0.14 0.00 0.00 0.00 175.35 175.86 3phy s VAL 107 N 0.59 4.60 -0.29 1.79 -7.23 -0.66 -1.66 120.40 117.55 3phy s VAL 107 Ca 0.35 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 3phy s VAL 107 Cb -0.18 -3.49 0.18 0.00 0.56 0.00 0.00 36.38 33.45 3phy s VAL 107 CO 0.17 -0.34 0.52 -2.28 -0.31 0.00 0.00 175.10 172.86 3phy s HIS 108 N -2.11 -1.49 0.11 2.82 5.04 -0.82 -3.14 115.29 115.69 3phy s HIS 108 Ca 0.33 0.88 0.09 0.00 -1.54 0.00 0.00 55.06 54.82 3phy s HIS 108 Cb -0.08 0.17 -0.04 0.00 0.04 0.00 0.00 32.58 32.67 3phy s HIS 108 CO 0.26 -1.01 -0.20 -1.64 -2.34 0.00 0.00 174.74 169.81 3phy s MET 109 N 2.72 1.76 0.25 2.88 1.00 -0.79 -1.22 119.30 125.90 3phy s MET 109 Ca 0.11 -1.18 0.01 0.00 0.00 0.00 0.00 55.69 54.64 3phy s MET 109 Cb -0.12 -2.08 -0.00 0.00 0.00 0.00 0.00 34.83 32.63 3phy s MET 109 CO -0.26 0.48 0.29 1.17 0.00 0.00 0.00 175.02 176.71 3phy n LYS 110 N 0.96 0.43 -3.01 2.03 4.81 -0.09 -2.39 118.16 120.91 3phy n LYS 110 Ca -0.16 -2.16 -0.43 0.00 -0.87 0.00 0.00 58.31 54.69 3phy n LYS 110 Cb 0.53 1.95 -0.06 0.00 0.02 0.00 0.00 35.03 37.47 3phy n LYS 110 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3phy s LYS 111 N -2.73 3.33 0.33 1.64 2.20 0.22 -1.48 119.74 123.26 3phy s LYS 111 Ca 0.24 -0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 3phy s LYS 111 Cb 0.00 -3.97 -0.11 0.00 -1.51 0.00 0.00 37.83 32.24 3phy s LYS 111 CO 0.17 -1.14 1.54 0.00 -0.36 0.00 0.00 175.35 175.56 3phy s ALA 112 N 3.17 3.66 -1.10 3.13 0.00 -1.13 -4.85 121.76 124.65 3phy s ALA 112 Ca 0.27 1.57 0.16 0.00 0.00 0.00 0.00 51.96 53.96 3phy s ALA 112 Cb -0.13 -3.63 0.72 0.00 0.00 0.00 0.00 23.12 20.08 3phy s ALA 112 CO 0.20 -1.01 1.51 1.28 0.00 0.00 0.00 175.76 177.74 3phy n LEU 113 N 1.36 0.00 -0.14 0.00 4.32 -1.26 -3.20 117.00 118.08 3phy n LEU 113 Ca 0.05 0.45 0.28 0.00 -0.02 0.00 0.00 56.01 56.77 3phy n LEU 113 Cb 0.38 -0.45 0.71 0.00 -1.62 0.00 0.00 43.42 42.44 3phy n LEU 113 CO 0.64 -0.20 1.26 0.28 -1.22 0.00 0.00 177.39 178.14 3phy h SER 114 N 0.00 0.00 0.00 -1.43 0.02 -1.95 -3.43 113.55 106.76 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 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 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 -1.66 1.09 2.63 -3.77 0.00 -1.20 -4.89 105.19 97.39 3phy n GLY 115 Ca 0.18 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.00 -3.32 1.61 8.00 -1.26 -4.94 116.55 112.65 3phy n ASP 116 Ca 0.00 0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.42 3phy n ASP 116 Cb 0.00 -3.37 0.09 0.00 -0.02 0.00 0.00 41.12 37.82 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 -1.93 0.45 -3.28 -2.24 7.64 -1.19 -4.53 113.62 108.53 3phy n SER 117 Ca -0.12 -1.49 -0.05 0.00 1.01 0.00 0.00 58.87 58.22 3phy n SER 117 Cb 0.60 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 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 -2.17 -1.09 -0.02 1.43 2.02 -0.94 -2.84 117.35 113.74 3phy s TYR 118 Ca 0.41 1.08 0.01 0.00 -0.37 0.00 0.00 57.07 58.20 3phy s TYR 118 Cb -0.02 0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.69 3phy s TYR 118 CO 0.28 -0.79 -0.02 1.67 -1.57 0.00 0.00 175.55 175.12 3phy s TRP 119 N 2.64 3.03 -0.29 2.71 1.48 -0.55 -0.04 118.94 127.92 3phy s TRP 119 Ca 0.15 0.07 0.02 0.00 -1.06 0.00 0.00 56.10 55.28 3phy s TRP 119 Cb -0.15 -1.68 0.08 0.00 -1.16 0.00 0.00 33.47 30.56 3phy s TRP 119 CO -0.18 0.43 -0.01 0.08 -4.06 0.00 0.00 176.95 173.21 3phy s VAL 120 N -1.01 1.90 -0.37 -0.66 1.01 -0.13 -0.91 120.40 120.24 3phy s VAL 120 Ca 0.17 -1.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.12 3phy s VAL 120 Cb -0.11 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3phy s VAL 120 CO 0.08 -0.35 0.85 -0.36 0.00 0.00 0.00 175.10 175.31 3phy s PHE 121 N 1.15 3.09 -0.33 5.22 0.08 -0.36 -2.98 117.98 123.85 3phy s PHE 121 Ca 0.02 0.65 -0.14 0.00 0.12 0.00 0.00 56.93 57.58 3phy s PHE 121 Cb -0.19 -3.53 -0.02 0.00 -0.57 0.00 0.00 43.02 38.71 3phy s PHE 121 CO -0.09 -0.79 0.31 0.08 -0.10 0.00 0.00 175.22 174.64 3phy s VAL 122 N 3.29 5.21 -0.22 -0.44 1.01 -0.18 -1.95 120.40 127.12 3phy s VAL 122 Ca 0.35 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 3phy s VAL 122 Cb -0.13 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 3phy s VAL 122 CO 0.18 -0.04 0.21 -0.75 0.00 0.00 0.00 175.10 174.71 3phy s LYS 123 N 1.91 4.11 0.47 2.72 2.20 -0.66 -0.57 119.74 129.92 3phy s LYS 123 Ca 0.10 -0.15 -0.24 0.00 -0.36 0.00 0.00 55.97 55.32 3phy s LYS 123 Cb -0.17 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.56 3phy s LYS 123 CO 0.11 0.07 1.33 0.50 -0.36 0.00 0.00 175.35 177.00 3phy s ARG 124 N 1.01 3.61 0.00 4.03 3.52 -1.20 -1.16 118.95 128.76 3phy s ARG 124 Ca 0.10 2.18 0.31 0.00 -0.13 0.00 0.00 55.73 58.19 3phy s ARG 124 Cb -0.13 -2.52 1.84 0.00 -1.56 0.00 0.00 34.95 32.57 3phy s ARG 124 CO 0.04 -0.79 2.17 1.33 -0.81 0.00 0.00 175.30 177.24