#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cye n SER 2 N 0.00 3.78 -4.58 6.15 7.64 -1.26 -4.88 113.62 120.47 1cye n SER 2 Ca 0.00 -2.78 -0.42 0.00 1.01 0.00 0.00 58.87 56.68 1cye n SER 2 Cb 0.00 -1.74 -0.01 0.00 -1.01 0.00 0.00 64.21 61.46 1cye n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1cye s ASP 3 N 5.58 6.68 0.19 6.43 1.01 -1.26 -4.84 116.67 130.45 1cye s ASP 3 Ca 0.63 -2.37 -0.15 0.00 0.71 0.00 0.00 52.55 51.37 1cye s ASP 3 Cb 0.01 -2.58 0.17 0.00 1.01 0.00 0.00 42.92 41.53 1cye s ASP 3 CO 0.11 -1.34 1.66 0.11 0.21 0.00 0.00 175.17 175.92 1cye h LYS 4 N 7.79 0.04 -2.05 8.23 1.79 -1.90 -2.99 116.57 127.48 1cye h LYS 4 Ca 0.43 -0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.36 1cye h LYS 4 Cb 0.88 -0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 31.34 1cye h LYS 4 CO 1.44 0.02 0.60 -0.85 -1.08 0.00 0.00 179.45 179.59 1cye n GLU 5 N -5.31 2.63 -4.03 3.15 0.00 -1.26 -4.44 120.64 111.37 1cye n GLU 5 Ca 0.05 -2.53 -0.35 0.00 0.00 0.00 0.00 57.16 54.33 1cye n GLU 5 Cb 0.27 -2.19 -0.13 0.00 0.00 0.00 0.00 31.44 29.38 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1cye s LEU 6 N -2.31 3.12 -0.49 -1.84 0.20 -1.13 -5.07 118.68 111.16 1cye s LEU 6 Ca 0.58 -0.27 -0.28 0.00 0.69 0.00 0.00 54.13 54.85 1cye s LEU 6 Cb 0.37 -1.79 0.03 0.00 -0.43 0.00 0.00 46.19 44.37 1cye s LEU 6 CO -0.22 0.03 1.08 -0.54 -0.29 0.00 0.00 176.35 176.41 1cye s LYS 7 N 1.18 3.62 -0.06 1.98 1.02 -1.26 -4.50 119.74 121.73 1cye s LYS 7 Ca 0.03 0.36 -0.12 0.00 0.02 0.00 0.00 55.97 56.27 1cye s LYS 7 Cb -0.15 -3.94 -0.05 0.00 -0.52 0.00 0.00 37.83 33.18 1cye s LYS 7 CO 0.00 -1.39 0.29 -0.06 -0.92 0.00 0.00 175.35 173.28 1cye s PHE 8 N 4.31 3.66 -0.32 3.18 0.40 -0.45 -0.99 117.98 127.77 1cye s PHE 8 Ca 0.43 0.78 0.02 0.00 -0.60 0.00 0.00 56.93 57.56 1cye s PHE 8 Cb -0.08 -2.15 0.08 0.00 0.51 0.00 0.00 43.02 41.38 1cye s PHE 8 CO 0.29 0.65 0.01 -1.17 0.70 0.00 0.00 175.22 175.70 1cye s LEU 9 N -0.94 4.27 -0.44 -0.37 1.98 -0.74 0.08 118.68 122.51 1cye s LEU 9 Ca 0.20 -1.75 -0.26 0.00 -2.89 0.00 0.00 54.13 49.42 1cye s LEU 9 Cb -0.15 -1.64 0.02 0.00 0.66 0.00 0.00 46.19 45.08 1cye s LEU 9 CO 0.09 -0.32 0.97 -0.69 -1.89 0.00 0.00 176.35 174.51 1cye s VAL 10 N 1.06 4.44 -0.59 1.68 1.01 -0.27 -1.28 120.40 126.46 1cye s VAL 10 Ca 0.02 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 1cye s VAL 10 Cb -0.20 -4.45 0.15 0.00 0.00 0.00 0.00 36.38 31.89 1cye s VAL 10 CO -0.05 -0.79 0.39 -0.69 0.00 0.00 0.00 175.10 173.95 1cye s VAL 11 N 3.83 3.46 -0.12 2.92 1.01 0.69 -0.50 120.40 131.69 1cye s VAL 11 Ca 0.40 -2.97 -0.03 0.00 0.00 0.00 0.00 61.98 59.39 1cye s VAL 11 Cb -0.10 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.04 1cye s VAL 11 CO 0.25 -0.85 0.04 -1.81 0.00 0.00 0.00 175.10 172.74 1cye s ASP 12 N 0.58 2.00 -1.34 3.32 1.11 -1.06 -0.66 116.67 120.61 1cye s ASP 12 Ca 0.16 -0.35 -0.17 0.00 0.18 0.00 0.00 52.55 52.37 1cye s ASP 12 Cb -0.21 -0.37 0.06 0.00 1.07 0.00 0.00 42.92 43.47 1cye s ASP 12 CO -0.03 -0.27 1.88 -0.67 1.18 0.00 0.00 175.17 177.26 1cye n ASP 13 N 5.18 4.64 0.00 0.27 2.03 -0.89 -4.29 116.55 123.49 1cye n ASP 13 Ca -0.07 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.34 1cye n ASP 13 Cb 0.49 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.17 1cye n ASP 13 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1cye n PHE 14 N 7.71 0.00 -0.31 -0.67 7.35 -1.26 -4.96 117.46 125.31 1cye n PHE 14 Ca 0.50 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 57.14 1cye n PHE 14 Cb 0.44 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.26 1cye n PHE 14 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1cye h SER 15 N 0.00 -1.52 -0.26 -2.13 0.87 -2.00 0.47 113.55 108.97 1cye h SER 15 Ca 0.00 0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1cye h SER 15 Cb 0.00 0.74 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1cye h SER 15 CO 0.00 -0.30 0.16 0.74 -0.53 0.00 0.00 176.83 176.91 1cye h THR 16 N -0.09 1.05 -0.38 2.23 2.02 -1.98 -1.03 112.91 114.73 1cye h THR 16 Ca 0.26 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1cye h THR 16 Cb 0.55 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1cye h THR 16 CO -0.85 0.06 0.18 -0.03 0.37 0.00 0.00 175.52 175.25 1cye h MET 17 N 0.34 0.55 -0.50 6.66 -1.53 -1.71 -0.98 114.93 117.75 1cye h MET 17 Ca 0.10 -0.08 0.02 0.00 -3.44 0.00 0.00 59.70 56.29 1cye h MET 17 Cb -0.02 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 30.90 1cye h MET 17 CO -0.03 0.49 0.31 -0.09 0.14 0.00 0.00 176.91 177.73 1cye h ARG 18 N 0.48 0.61 -0.48 0.39 2.43 -0.59 -2.50 114.38 114.72 1cye h ARG 18 Ca 0.13 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1cye h ARG 18 Cb 0.12 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1cye h ARG 18 CO -0.02 0.41 0.18 -0.09 -1.51 0.00 0.00 179.97 178.94 1cye h ARG 19 N 0.63 0.73 0.41 0.20 1.12 -0.74 -2.68 114.38 114.04 1cye h ARG 19 Ca 0.20 -0.14 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 1cye h ARG 19 Cb -0.02 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 29.81 1cye h ARG 19 CO -0.07 0.67 -0.38 0.82 -3.11 0.00 0.00 179.97 177.89 1cye h ILE 20 N 0.64 0.22 -0.68 1.20 2.04 -0.77 -1.29 117.51 118.87 1cye h ILE 20 Ca 0.16 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.12 1cye h ILE 20 Cb 0.22 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1cye h ILE 20 CO -0.01 0.00 0.31 0.58 0.00 0.00 0.00 178.15 179.03 1cye h VAL 21 N -0.80 0.81 0.08 1.67 2.07 -1.43 -0.56 116.25 118.07 1cye h VAL 21 Ca -0.03 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1cye h VAL 21 Cb 0.71 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1cye h VAL 21 CO -0.05 0.10 -0.21 -0.09 0.02 0.00 0.00 177.57 177.34 1cye h ARG 22 N 0.53 -0.36 -0.73 1.57 2.43 -1.22 -2.02 114.38 114.57 1cye h ARG 22 Ca 0.34 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1cye h ARG 22 Cb 0.40 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1cye h ARG 22 CO -0.29 -0.24 0.30 -0.91 -1.51 0.00 0.00 179.97 177.31 1cye h ASN 23 N -0.38 0.98 -0.25 -3.80 4.21 -0.40 -2.45 115.58 113.49 1cye h ASN 23 Ca 0.04 -0.14 0.04 0.00 1.21 0.00 0.00 56.30 57.44 1cye h ASN 23 Cb 0.41 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.33 1cye h ASN 23 CO -0.14 0.87 0.04 -0.07 -1.29 0.00 0.00 177.43 176.84 1cye h LEU 24 N 1.05 -0.01 -0.52 1.61 3.38 -0.67 -0.84 115.31 119.31 1cye h LEU 24 Ca 0.25 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1cye h LEU 24 Cb 0.19 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1cye h LEU 24 CO -0.02 0.03 0.33 -0.07 0.09 0.00 0.00 178.44 178.80 1cye h LEU 25 N 0.13 0.60 -0.58 1.67 3.38 -1.17 -1.93 115.31 117.41 1cye h LEU 25 Ca 0.12 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1cye h LEU 25 Cb 0.12 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1cye h LEU 25 CO -0.16 0.45 0.29 0.11 0.09 0.00 0.00 178.44 179.22 1cye h LYS 26 N 0.70 0.53 -0.59 1.13 1.57 -1.07 -1.18 116.57 117.66 1cye h LYS 26 Ca 0.19 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1cye h LYS 26 Cb -0.06 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1cye h LYS 26 CO -0.04 0.35 0.37 0.93 -0.57 0.00 0.00 179.45 180.50 1cye h GLU 27 N 0.55 0.79 0.00 3.15 5.08 -0.77 -0.93 114.58 122.44 1cye h GLU 27 Ca 0.27 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1cye h GLU 27 Cb 0.20 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1cye h GLU 27 CO -0.19 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.64 1cye n LEU 28 N -4.43 0.00 0.00 1.33 4.77 -0.62 -4.86 117.00 113.19 1cye n LEU 28 Ca 0.06 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1cye n LEU 28 Cb 0.06 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1cye n LEU 28 CO 0.36 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1cye n GLY 29 N 0.49 0.03 3.25 -0.72 0.00 -0.36 -5.00 105.19 102.89 1cye n GLY 29 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1cye n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cye n PHE 30 N -2.00 4.29 0.26 1.61 3.72 -0.54 -4.81 117.46 119.98 1cye n PHE 30 Ca 0.00 -3.27 0.13 0.00 -0.05 0.00 0.00 57.45 54.26 1cye n PHE 30 Cb 0.00 -1.92 0.70 0.00 -0.94 0.00 0.00 39.48 37.32 1cye n PHE 30 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1cye h ASN 31 N 6.52 0.00 -0.83 4.37 4.21 -1.76 -2.85 115.58 125.23 1cye h ASN 31 Ca 0.29 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 57.17 1cye h ASN 31 Cb 0.79 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.91 1cye h ASN 31 CO 1.29 0.13 2.01 0.54 -1.29 0.00 0.00 177.43 180.11 1cye s ASN 32 N -6.08 6.59 -0.06 5.81 6.03 -1.26 -4.86 114.94 121.11 1cye s ASN 32 Ca -0.02 -2.27 0.02 0.00 -1.03 0.00 0.00 52.86 49.56 1cye s ASN 32 Cb 0.12 -2.58 0.01 0.00 -3.03 0.00 0.00 41.25 35.78 1cye s ASN 32 CO 0.58 -1.43 -0.10 -0.69 -2.03 0.00 0.00 177.10 173.43 1cye s VAL 33 N 5.14 0.95 0.28 3.54 1.01 -1.26 -1.34 120.40 128.72 1cye s VAL 33 Ca 0.55 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 62.27 1cye s VAL 33 Cb 0.03 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1cye s VAL 33 CO 0.07 0.31 -0.18 -1.61 0.00 0.00 0.00 175.10 173.70 1cye s GLU 34 N 0.69 1.67 0.05 2.72 8.01 0.11 -4.96 118.70 127.00 1cye s GLU 34 Ca -0.13 -1.78 0.04 0.00 0.01 0.00 0.00 54.97 53.10 1cye s GLU 34 Cb -0.15 -1.70 -0.02 0.00 -4.31 0.00 0.00 34.13 27.95 1cye s GLU 34 CO 0.03 0.28 -0.11 -1.83 0.01 0.00 0.00 175.26 173.63 1cye s GLU 35 N -3.54 0.73 0.11 1.61 4.04 -1.26 -1.11 118.70 119.28 1cye s GLU 35 Ca 0.30 -0.77 -0.02 0.00 0.04 0.00 0.00 54.97 54.52 1cye s GLU 35 Cb -0.03 -0.66 -0.04 0.00 0.02 0.00 0.00 34.13 33.42 1cye s GLU 35 CO 0.15 0.15 0.05 0.00 -1.84 0.00 0.00 175.26 173.77 1cye s ALA 36 N -1.08 0.71 -0.09 -0.84 0.00 0.34 -4.95 121.76 115.85 1cye s ALA 36 Ca -0.03 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.61 1cye s ALA 36 Cb -0.09 0.71 -0.08 0.00 0.00 0.00 0.00 23.12 23.66 1cye s ALA 36 CO 0.01 -0.47 -0.04 0.39 0.00 0.00 0.00 175.76 175.66 1cye n GLU 37 N -0.05 1.35 -4.28 0.00 1.02 -1.26 -2.56 120.64 114.86 1cye n GLU 37 Ca -0.08 0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.92 1cye n GLU 37 Cb 0.63 -1.21 -0.10 0.00 -0.02 0.00 0.00 31.44 30.74 1cye n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1cye s ASP 38 N -4.55 2.15 0.24 1.62 1.01 -1.26 -2.10 116.67 113.77 1cye s ASP 38 Ca -0.09 -0.96 -0.14 0.00 0.71 0.00 0.00 52.55 52.06 1cye s ASP 38 Cb 0.03 -0.07 0.30 0.00 1.01 0.00 0.00 42.92 44.18 1cye s ASP 38 CO 0.28 -0.22 1.50 0.61 0.21 0.00 0.00 175.17 177.55 1cye n GLY 39 N -0.07 -1.87 0.05 0.21 0.00 -0.40 -1.48 105.19 101.62 1cye n GLY 39 Ca -0.11 1.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.86 1cye n GLY 39 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cye h VAL 40 N 0.00 0.98 -0.68 1.61 2.07 -1.93 0.43 116.25 118.73 1cye h VAL 40 Ca 0.37 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.96 1cye h VAL 40 Cb 0.61 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1cye h VAL 40 CO -0.97 0.00 0.36 0.44 0.02 0.00 0.00 177.57 177.43 1cye h ASP 41 N -0.02 0.52 0.21 0.57 3.32 -1.68 -1.80 116.42 117.54 1cye h ASP 41 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1cye h ASP 41 Cb 0.02 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1cye h ASP 41 CO -0.01 0.32 -0.10 0.00 -1.72 0.00 0.00 179.24 177.73 1cye h ALA 42 N 1.37 -0.28 -0.38 3.45 0.00 -0.94 -1.99 119.26 120.51 1cye h ALA 42 Ca 0.32 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1cye h ALA 42 Cb 0.25 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1cye h ALA 42 CO -0.21 -0.62 -0.16 -0.07 0.00 0.00 0.00 179.25 178.18 1cye h LEU 43 N -0.34 -0.56 -0.01 0.00 3.38 -0.11 0.14 115.31 117.80 1cye h LEU 43 Ca -0.03 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1cye h LEU 43 Cb 0.26 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1cye h LEU 43 CO 0.05 -0.20 -0.29 0.78 0.09 0.00 0.00 178.44 178.86 1cye h ASN 44 N -0.09 -0.88 -0.22 -0.43 -0.26 -1.30 0.02 115.58 112.42 1cye h ASN 44 Ca 0.19 0.12 0.03 0.00 -0.56 0.00 0.00 56.30 56.07 1cye h ASN 44 Cb 0.38 0.36 -0.03 0.00 -1.06 0.00 0.00 38.32 37.97 1cye h ASN 44 CO -0.44 -0.36 0.05 0.11 -1.06 0.00 0.00 177.43 175.73 1cye h LYS 45 N -0.44 0.13 -0.84 0.81 1.57 -0.57 -2.73 116.57 114.51 1cye h LYS 45 Ca 0.07 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1cye h LYS 45 Cb 0.53 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1cye h LYS 45 CO -0.26 0.09 0.55 -0.07 -0.57 0.00 0.00 179.45 179.19 1cye h LEU 46 N 0.13 0.95 -2.27 2.94 3.38 -0.15 -2.65 115.31 117.65 1cye h LEU 46 Ca 0.10 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1cye h LEU 46 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1cye h LEU 46 CO -0.13 0.68 0.17 1.56 0.09 0.00 0.00 178.44 180.82 1cye h GLN 47 N 1.12 0.00 0.00 1.13 4.20 -0.68 -1.11 115.11 119.77 1cye h GLN 47 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 1cye h GLN 47 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1cye h GLN 47 CO -0.07 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.09 1cye h ALA 48 N 1.80 1.00 0.00 3.87 0.00 -1.45 -3.50 119.26 120.98 1cye h ALA 48 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cye h ALA 48 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1cye h ALA 48 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1cye n GLY 49 N 0.03 -1.72 4.26 0.00 0.00 -0.42 -5.01 105.19 102.32 1cye n GLY 49 Ca 0.01 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1cye n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cye n GLY 50 N 0.00 0.93 3.74 -0.02 0.00 -1.26 -4.84 105.19 103.74 1cye n GLY 50 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1cye n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cye s TYR 51 N 0.00 3.33 -0.07 1.61 2.02 -1.26 -4.34 117.35 118.64 1cye s TYR 51 Ca 0.00 1.38 0.10 0.00 -0.37 0.00 0.00 57.07 58.18 1cye s TYR 51 Cb 0.00 -3.51 0.15 0.00 -0.40 0.00 0.00 41.96 38.20 1cye s TYR 51 CO 0.00 -1.48 1.05 0.41 -1.57 0.00 0.00 175.55 173.96 1cye n GLY 52 N 1.94 3.32 3.64 0.71 0.00 -0.16 -4.97 105.19 109.67 1cye n GLY 52 Ca 0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 1cye n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cye s PHE 53 N -1.81 -0.30 -0.21 1.61 2.19 -1.19 -4.46 117.98 113.80 1cye s PHE 53 Ca 0.17 0.73 0.01 0.00 0.33 0.00 0.00 56.93 58.17 1cye s PHE 53 Cb 0.15 0.41 0.04 0.00 -1.31 0.00 0.00 43.02 42.32 1cye s PHE 53 CO 0.02 -0.14 -0.12 0.08 1.83 0.00 0.00 175.22 176.88 1cye s VAL 54 N 0.13 1.86 -0.48 3.12 1.01 0.34 -1.80 120.40 124.59 1cye s VAL 54 Ca 0.05 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1cye s VAL 54 Cb -0.05 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.55 1cye s VAL 54 CO -0.10 0.17 0.34 -0.63 0.00 0.00 0.00 175.10 174.87 1cye s ILE 55 N 1.29 4.01 -0.04 2.22 1.01 -0.40 -0.32 121.20 128.97 1cye s ILE 55 Ca -0.02 -1.96 0.07 0.00 0.00 0.00 0.00 60.65 58.73 1cye s ILE 55 Cb -0.17 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1cye s ILE 55 CO -0.08 -0.77 -0.24 -0.55 0.00 0.00 0.00 174.94 173.29 1cye s SER 56 N 2.32 2.93 0.15 3.58 0.15 0.35 -0.22 113.70 122.96 1cye s SER 56 Ca 0.08 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 55.95 1cye s SER 56 Cb -0.24 -0.62 -0.07 0.00 -1.71 0.00 0.00 66.02 63.37 1cye s SER 56 CO -0.02 0.26 1.20 -0.62 1.20 0.00 0.00 173.24 175.26 1cye s ASP 57 N -0.31 7.09 0.10 5.45 -1.08 0.17 -0.11 116.67 127.98 1cye s ASP 57 Ca 0.01 2.17 -0.22 0.00 -0.52 0.00 0.00 52.55 54.00 1cye s ASP 57 Cb -0.12 -2.60 -0.12 0.00 -1.46 0.00 0.00 42.92 38.62 1cye s ASP 57 CO 0.02 -0.39 1.74 -0.25 0.52 0.00 0.00 175.17 176.81 1cye h TRP 58 N 5.63 0.01 -2.68 -5.34 2.91 -1.16 -2.61 115.95 112.72 1cye h TRP 58 Ca -0.44 0.00 -0.64 0.00 1.13 0.00 0.00 58.89 58.95 1cye h TRP 58 Cb 1.21 0.00 -0.15 0.00 -0.51 0.00 0.00 29.16 29.72 1cye h TRP 58 CO 0.63 0.00 0.50 1.21 -1.03 0.00 0.00 178.44 179.76 1cye s ASN 59 N -5.21 6.18 -0.06 2.65 2.47 -1.26 -1.08 114.94 118.62 1cye s ASN 59 Ca -0.13 -1.05 -0.03 0.00 0.42 0.00 0.00 52.86 52.07 1cye s ASN 59 Cb 0.07 -2.41 0.04 0.00 -1.45 0.00 0.00 41.25 37.50 1cye s ASN 59 CO 0.67 -1.41 0.11 -0.04 -3.72 0.00 0.00 177.10 172.72 1cye s MET 60 N 3.91 -0.01 1.01 0.43 -1.94 -1.26 -4.52 119.30 116.92 1cye s MET 60 Ca 0.21 0.45 -0.11 0.00 -1.71 0.00 0.00 55.69 54.53 1cye s MET 60 Cb -0.17 -0.35 0.20 0.00 2.01 0.00 0.00 34.83 36.52 1cye s MET 60 CO 0.09 -0.29 1.09 -2.14 -0.01 0.00 0.00 175.02 173.76 1cye s PRO 61 N 2.04 0.30 0.00 2.03 0.02 -1.26 -2.73 135.00 135.40 1cye s PRO 61 Ca 0.02 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.19 1cye s PRO 61 Cb -0.12 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1cye s PRO 61 CO -0.05 -3.00 0.00 -1.71 -0.33 0.00 0.00 177.00 171.92 1cye n ASN 62 N -4.45 0.00 -3.82 2.53 2.85 -1.26 -4.43 115.26 106.69 1cye n ASN 62 Ca 0.08 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.25 1cye n ASN 62 Cb 0.53 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.40 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1cye s MET 63 N 0.00 1.03 0.93 1.20 0.00 -1.26 -5.01 119.30 116.19 1cye s MET 63 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 55.69 54.76 1cye s MET 63 Cb 0.00 -2.29 0.16 0.00 0.00 0.00 0.00 34.83 32.70 1cye s MET 63 CO 0.00 -0.72 1.11 0.16 0.00 0.00 0.00 175.02 175.57 1cye s ASP 64 N 1.61 2.86 0.17 1.11 1.47 -1.11 -1.28 116.67 121.51 1cye s ASP 64 Ca 0.00 1.95 -0.21 0.00 1.18 0.00 0.00 52.55 55.48 1cye s ASP 64 Cb -0.18 -2.48 0.09 0.00 -0.34 0.00 0.00 42.92 40.02 1cye s ASP 64 CO -0.11 -3.10 1.61 1.23 0.68 0.00 0.00 175.17 175.48 1cye h GLY 65 N -1.86 -0.09 0.97 2.12 0.00 -0.69 -0.24 103.07 103.28 1cye h GLY 65 Ca -0.47 0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1cye h GLY 65 CO 0.46 -0.21 0.33 -2.00 0.00 0.00 0.00 176.54 175.12 1cye h LEU 66 N -0.19 0.57 -0.77 3.11 5.85 -1.84 -1.26 115.31 120.77 1cye h LEU 66 Ca 0.20 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1cye h LEU 66 Cb 0.51 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1cye h LEU 66 CO -0.56 0.41 0.35 -0.33 -0.34 0.00 0.00 178.44 177.97 1cye h GLU 67 N 0.68 1.12 -0.59 1.25 3.07 -1.67 -2.02 114.58 116.42 1cye h GLU 67 Ca 0.19 -0.18 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1cye h GLU 67 Cb -0.05 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 27.62 1cye h GLU 67 CO -0.05 0.89 0.35 1.25 -1.40 0.00 0.00 179.01 180.05 1cye h LEU 68 N 1.10 0.56 -0.33 1.33 7.12 -0.46 -1.71 115.31 122.92 1cye h LEU 68 Ca 0.26 0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.30 1cye h LEU 68 Cb 0.16 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 1cye h LEU 68 CO -0.03 0.39 0.18 0.25 -0.13 0.00 0.00 178.44 179.10 1cye h LEU 69 N 0.69 0.29 -0.68 2.25 5.85 -0.79 -2.24 115.31 120.68 1cye h LEU 69 Ca 0.24 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1cye h LEU 69 Cb 0.05 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1cye h LEU 69 CO -0.11 0.21 0.43 0.11 -0.34 0.00 0.00 178.44 178.74 1cye h LYS 70 N 0.38 0.84 -0.29 1.25 1.57 -0.80 -0.84 116.57 118.68 1cye h LYS 70 Ca 0.13 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1cye h LYS 70 Cb 0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1cye h LYS 70 CO -0.07 0.55 -0.05 1.79 -0.57 0.00 0.00 179.45 181.10 1cye h THR 71 N 0.86 1.20 0.35 -0.16 1.35 -1.07 0.14 112.91 115.59 1cye h THR 71 Ca 0.26 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 65.29 1cye h THR 71 Cb -0.03 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1cye h THR 71 CO -0.09 0.27 -0.17 0.40 -0.25 0.00 0.00 175.52 175.69 1cye h ILE 72 N 0.44 0.48 -0.78 6.82 2.04 -0.73 -2.42 117.51 123.36 1cye h ILE 72 Ca 0.09 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.38 1cye h ILE 72 Cb 0.37 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 1cye h ILE 72 CO 0.02 0.10 0.39 0.03 0.00 0.00 0.00 178.15 178.68 1cye h ARG 73 N -0.94 0.60 -0.00 2.37 2.47 -0.97 -1.33 114.38 116.56 1cye h ARG 73 Ca -0.05 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.51 1cye h ARG 73 Cb 0.53 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1cye h ARG 73 CO 0.08 0.39 -0.59 0.00 0.56 0.00 0.00 179.97 180.42 1cye h ALA 74 N 1.49 1.02 -1.71 0.04 0.00 -1.04 -3.42 119.26 115.64 1cye h ALA 74 Ca 0.40 -0.54 -0.65 0.00 0.00 0.00 0.00 54.91 54.13 1cye h ALA 74 Cb 0.49 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 1cye h ALA 74 CO -0.31 0.74 0.73 0.34 0.00 0.00 0.00 179.25 180.74 1cye s ASP 75 N -6.86 6.36 0.00 0.00 -1.08 -0.52 -4.97 116.67 109.61 1cye s ASP 75 Ca -0.02 -1.40 0.00 0.00 -0.52 0.00 0.00 52.55 50.61 1cye s ASP 75 Cb 0.13 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1cye s ASP 75 CO 0.76 -1.32 0.00 0.61 0.52 0.00 0.00 175.17 175.74 1cye n GLY 76 N 5.51 0.00 0.35 2.66 0.00 -1.26 -0.17 105.19 112.28 1cye n GLY 76 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1cye n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye h ALA 77 N 0.00 1.45 0.00 4.61 0.00 -1.93 -2.63 119.26 120.76 1cye h ALA 77 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cye h ALA 77 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1cye h ALA 77 CO 0.00 0.18 -0.60 -1.33 0.00 0.00 0.00 179.25 177.50 1cye n MET 78 N -4.66 0.25 -0.00 0.00 2.81 0.76 -4.42 117.12 111.85 1cye n MET 78 Ca 0.18 0.07 0.23 0.00 -1.81 0.00 0.00 57.70 56.37 1cye n MET 78 Cb 0.35 -1.66 0.63 0.00 -0.71 0.00 0.00 33.22 31.84 1cye n MET 78 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1cye h SER 79 N 0.00 0.00 0.35 7.83 0.02 -0.96 -0.44 113.55 120.35 1cye h SER 79 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cye h SER 79 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1cye h SER 79 CO 0.00 0.00 -0.43 0.00 -1.14 0.00 0.00 176.83 175.26 1cye n ALA 80 N -2.27 3.43 -2.12 3.77 0.00 -1.26 -4.68 120.51 117.37 1cye n ALA 80 Ca 0.13 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1cye n ALA 80 Cb 0.94 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 1cye n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cye s LEU 81 N -2.78 3.65 0.20 0.00 1.43 -0.17 -4.97 118.68 116.03 1cye s LEU 81 Ca 0.16 1.29 -0.32 0.00 -1.03 0.00 0.00 54.13 54.24 1cye s LEU 81 Cb 0.18 -3.53 -0.15 0.00 0.03 0.00 0.00 46.19 42.73 1cye s LEU 81 CO 0.63 -1.50 1.32 -0.81 0.23 0.00 0.00 176.35 176.23 1cye n PRO 82 N 8.10 1.65 -4.84 1.29 -0.04 -1.26 -4.73 135.00 135.17 1cye n PRO 82 Ca 0.20 0.59 -0.32 0.00 -0.04 0.00 0.00 63.50 63.93 1cye n PRO 82 Cb 0.46 -2.20 -0.17 0.00 -0.04 0.00 0.00 33.50 31.56 1cye n PRO 82 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cye s VAL 83 N 0.01 2.00 -0.25 0.52 1.01 -1.26 -0.51 120.40 121.93 1cye s VAL 83 Ca 0.72 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1cye s VAL 83 Cb -0.75 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1cye s VAL 83 CO 0.49 0.54 -0.03 -0.22 0.00 0.00 0.00 175.10 175.88 1cye s LEU 84 N 0.66 3.18 -0.43 3.92 1.98 0.56 -0.87 118.68 127.68 1cye s LEU 84 Ca -0.11 -0.67 -0.18 0.00 -2.89 0.00 0.00 54.13 50.27 1cye s LEU 84 Cb -0.16 -1.72 0.02 0.00 0.66 0.00 0.00 46.19 44.99 1cye s LEU 84 CO 0.02 -0.10 0.50 -0.04 -1.89 0.00 0.00 176.35 174.83 1cye s MET 85 N 1.41 3.14 -0.74 1.98 -1.94 -0.40 -0.49 119.30 122.25 1cye s MET 85 Ca 0.03 -0.66 -0.20 0.00 -1.71 0.00 0.00 55.69 53.15 1cye s MET 85 Cb -0.16 -3.97 0.11 0.00 2.01 0.00 0.00 34.83 32.83 1cye s MET 85 CO -0.03 -0.90 0.93 0.08 -0.01 0.00 0.00 175.02 175.08 1cye s VAL 86 N 2.33 4.69 -0.06 -6.03 1.01 0.84 -1.00 120.40 122.17 1cye s VAL 86 Ca 0.15 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1cye s VAL 86 Cb -0.16 -4.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.54 1cye s VAL 86 CO 0.15 -1.35 -0.02 0.28 0.00 0.00 0.00 175.10 174.16 1cye s THR 87 N 2.94 4.10 0.46 3.92 -1.32 -0.85 -0.53 115.64 124.35 1cye s THR 87 Ca 0.22 -0.41 0.16 0.00 -1.21 0.00 0.00 61.69 60.45 1cye s THR 87 Cb -0.15 -2.74 0.20 0.00 -1.51 0.00 0.00 72.50 68.31 1cye s THR 87 CO 0.01 0.54 2.02 0.00 -2.21 0.00 0.00 174.62 174.98 1cye h ALA 88 N 4.96 1.70 -3.45 11.08 0.00 -1.88 -2.46 119.26 129.20 1cye h ALA 88 Ca -0.50 -0.14 -0.42 0.00 0.00 0.00 0.00 54.91 53.85 1cye h ALA 88 Cb 1.18 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 18.61 1cye h ALA 88 CO 0.54 0.20 -0.77 -1.83 0.00 0.00 0.00 179.25 177.39 1cye s GLU 89 N -4.65 0.87 -0.95 0.00 -1.05 -1.26 -4.67 118.70 106.99 1cye s GLU 89 Ca -0.04 -0.12 -0.03 0.00 -0.15 0.00 0.00 54.97 54.63 1cye s GLU 89 Cb 0.16 -0.87 0.19 0.00 -0.44 0.00 0.00 34.13 33.16 1cye s GLU 89 CO 0.68 -0.08 2.31 0.00 0.95 0.00 0.00 175.26 179.12 1cye n ALA 90 N 4.07 6.51 -2.81 -0.84 0.00 -1.26 -4.83 120.51 121.35 1cye n ALA 90 Ca -0.24 -3.94 -0.37 0.00 0.00 0.00 0.00 53.44 48.89 1cye n ALA 90 Cb 0.51 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 1cye n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cye s LYS 91 N -2.49 3.53 0.21 0.00 2.20 -1.26 -4.97 119.74 116.97 1cye s LYS 91 Ca 0.52 -0.03 -0.03 0.00 -0.36 0.00 0.00 55.97 56.07 1cye s LYS 91 Cb 0.28 -3.20 0.43 0.00 -1.51 0.00 0.00 37.83 33.83 1cye s LYS 91 CO -0.19 0.76 1.13 1.63 -0.36 0.00 0.00 175.35 178.33 1cye n LYS 92 N 1.96 -0.06 -0.13 4.03 4.76 -1.26 -1.05 118.16 126.41 1cye n LYS 92 Ca -0.19 1.11 -0.04 0.00 -2.87 0.00 0.00 58.31 56.32 1cye n LYS 92 Cb 0.55 -1.71 0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1cye n LYS 92 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1cye h GLU 93 N 0.00 0.01 -0.16 1.97 3.07 -1.97 0.11 114.58 117.61 1cye h GLU 93 Ca 0.39 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1cye h GLU 93 Cb 0.70 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 1cye h GLU 93 CO -0.72 0.01 0.05 -0.91 -1.40 0.00 0.00 179.01 176.04 1cye h ASN 94 N 0.01 0.24 0.56 1.42 4.21 -1.41 -2.27 115.58 118.34 1cye h ASN 94 Ca 0.21 -0.20 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1cye h ASN 94 Cb 0.32 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1cye h ASN 94 CO -0.43 0.38 -0.37 0.40 -1.29 0.00 0.00 177.43 176.12 1cye h ILE 95 N 0.09 0.25 -0.07 2.81 2.04 -0.88 -0.13 117.51 121.61 1cye h ILE 95 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1cye h ILE 95 Cb 0.23 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1cye h ILE 95 CO -0.00 0.00 -0.19 0.40 0.00 0.00 0.00 178.15 178.36 1cye h ILE 96 N -0.89 0.53 -0.16 -0.67 2.04 -0.84 -0.37 117.51 117.16 1cye h ILE 96 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1cye h ILE 96 Cb 0.74 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1cye h ILE 96 CO 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 178.15 178.00 1cye h ALA 97 N 0.68 -0.13 0.08 1.87 0.00 -1.26 -0.51 119.26 120.00 1cye h ALA 97 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1cye h ALA 97 Cb 0.39 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1cye h ALA 97 CO -0.23 -0.65 -0.16 0.00 0.00 0.00 0.00 179.25 178.21 1cye h ALA 98 N 0.78 -0.25 -0.15 0.00 0.00 -0.62 -1.82 119.26 117.20 1cye h ALA 98 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1cye h ALA 98 Cb 0.41 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1cye h ALA 98 CO -0.30 -0.67 0.07 0.00 0.00 0.00 0.00 179.25 178.35 1cye h ALA 99 N 0.56 0.17 -0.62 0.00 0.00 -0.74 -1.16 119.26 117.48 1cye h ALA 99 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1cye h ALA 99 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1cye h ALA 99 CO -0.09 -0.37 0.41 1.96 0.00 0.00 0.00 179.25 181.16 1cye h GLN 100 N 0.15 0.82 0.00 0.00 1.08 -0.90 -1.89 115.11 114.37 1cye h GLN 100 Ca 0.06 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1cye h GLN 100 Cb 0.01 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 1cye h GLN 100 CO -0.04 0.55 0.00 0.00 -0.95 0.00 0.00 178.83 178.39 1cye n ALA 101 N -2.44 2.33 0.00 3.87 0.00 -0.70 -4.90 120.51 118.67 1cye n ALA 101 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1cye n ALA 101 Cb 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1cye n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 102 N 1.08 0.98 3.66 0.00 0.00 -0.71 -4.36 105.19 105.84 1cye n GLY 102 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1cye n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye s ALA 103 N -2.00 3.58 0.29 4.61 0.00 -0.48 -4.68 121.76 123.08 1cye s ALA 103 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1cye s ALA 103 Cb 0.00 -3.80 0.44 0.00 0.00 0.00 0.00 23.12 19.76 1cye s ALA 103 CO 0.00 -1.51 1.82 0.77 0.00 0.00 0.00 175.76 176.85 1cye h SER 104 N 10.11 0.69 -5.49 0.00 0.02 -1.34 -3.41 113.55 114.14 1cye h SER 104 Ca -0.44 -0.13 0.20 0.00 -0.84 0.00 0.00 61.79 60.57 1cye h SER 104 Cb 1.20 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 1cye h SER 104 CO 0.95 0.72 0.64 -0.83 -1.14 0.00 0.00 176.83 177.17 1cye s GLY 105 N -3.71 0.06 -0.13 -3.77 0.00 -0.84 -4.84 107.32 94.09 1cye s GLY 105 Ca -0.09 -0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.21 1cye s GLY 105 CO 0.79 2.89 0.46 -2.52 0.00 0.00 0.00 173.10 174.72 1cye s TYR 106 N -2.17 -0.46 -0.12 1.90 1.13 -1.26 -1.28 117.35 115.08 1cye s TYR 106 Ca 0.23 1.04 0.02 0.00 -1.41 0.00 0.00 57.07 56.95 1cye s TYR 106 Cb -0.02 0.18 0.01 0.00 -1.10 0.00 0.00 41.96 41.03 1cye s TYR 106 CO 0.04 -0.31 -0.19 0.54 -2.51 0.00 0.00 175.55 173.12 1cye s VAL 107 N -0.21 1.80 -0.19 -3.49 0.11 -0.17 -4.90 120.40 113.34 1cye s VAL 107 Ca -0.04 -0.83 -0.24 0.00 -2.93 0.00 0.00 61.98 57.94 1cye s VAL 107 Cb -0.03 -1.61 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 1cye s VAL 107 CO 0.02 0.50 0.79 0.54 -3.33 0.00 0.00 175.10 173.62 1cye s VAL 108 N 0.87 4.90 0.13 2.04 0.11 -1.26 -2.01 120.40 125.18 1cye s VAL 108 Ca -0.07 1.52 -0.26 0.00 -2.93 0.00 0.00 61.98 60.24 1cye s VAL 108 Cb -0.15 -4.09 -0.07 0.00 -1.53 0.00 0.00 36.38 30.53 1cye s VAL 108 CO -0.01 0.02 0.79 -1.59 -3.33 0.00 0.00 175.10 170.98 1cye s LYS 109 N 2.28 4.57 0.33 1.54 -2.85 -0.93 -3.58 119.74 121.10 1cye s LYS 109 Ca 0.35 1.17 -0.27 0.00 -1.00 0.00 0.00 55.97 56.22 1cye s LYS 109 Cb -0.16 -3.30 -0.09 0.00 -2.06 0.00 0.00 37.83 32.22 1cye s LYS 109 CO 0.11 0.47 1.03 -1.25 0.10 0.00 0.00 175.35 175.80 1cye s PRO 110 N -0.77 4.48 0.05 1.78 0.04 -1.26 -4.77 135.00 134.56 1cye s PRO 110 Ca 0.37 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.01 1cye s PRO 110 Cb -0.23 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 1cye s PRO 110 CO 0.26 0.13 -0.09 -0.59 0.04 0.00 0.00 177.00 176.75 1cye s PHE 111 N -1.43 0.80 0.51 0.56 -0.71 -1.24 -5.15 117.98 111.32 1cye s PHE 111 Ca 0.50 -0.54 0.07 0.00 -1.04 0.00 0.00 56.93 55.92 1cye s PHE 111 Cb -0.25 -0.47 0.03 0.00 -1.21 0.00 0.00 43.02 41.12 1cye s PHE 111 CO 0.32 -0.06 0.46 -0.08 -1.34 0.00 0.00 175.22 174.52 1cye s THR 112 N -1.61 2.08 0.27 -4.49 -1.32 -1.26 -4.93 115.64 104.39 1cye s THR 112 Ca -0.06 -1.36 0.01 0.00 -1.21 0.00 0.00 61.69 59.07 1cye s THR 112 Cb -0.08 -2.44 0.26 0.00 -1.51 0.00 0.00 72.50 68.73 1cye s THR 112 CO 0.00 0.00 1.74 0.00 -2.21 0.00 0.00 174.62 174.15 1cye h ALA 113 N 0.75 1.35 -0.44 11.08 0.00 -1.99 -0.69 119.26 129.32 1cye h ALA 113 Ca -0.37 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1cye h ALA 113 Cb 1.29 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1cye h ALA 113 CO 0.54 -0.18 0.17 0.00 0.00 0.00 0.00 179.25 179.79 1cye h ALA 114 N 1.62 0.58 -0.11 0.00 0.00 -1.96 0.73 119.26 120.11 1cye h ALA 114 Ca 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1cye h ALA 114 Cb 0.81 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1cye h ALA 114 CO -0.42 0.19 0.04 1.15 0.00 0.00 0.00 179.25 180.21 1cye h THR 115 N 0.58 1.15 -0.45 0.00 2.02 -1.66 -0.85 112.91 113.70 1cye h THR 115 Ca 0.15 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.94 1cye h THR 115 Cb 0.20 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1cye h THR 115 CO -0.01 0.13 0.16 0.25 0.37 0.00 0.00 175.52 176.42 1cye h LEU 116 N 0.02 0.17 0.00 2.58 5.85 -0.90 -2.12 115.31 120.91 1cye h LEU 116 Ca 0.04 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1cye h LEU 116 Cb 0.17 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1cye h LEU 116 CO -0.00 0.13 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.08 1cye h GLU 117 N 0.33 -0.11 -0.76 1.25 4.81 -0.52 -0.79 114.58 118.79 1cye h GLU 117 Ca 0.21 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.61 1cye h GLU 117 Cb 0.20 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.50 1cye h GLU 117 CO -0.21 -0.07 0.21 0.93 -0.73 0.00 0.00 179.01 179.14 1cye h GLU 118 N -0.11 0.29 -0.12 1.92 5.08 -0.51 0.27 114.58 121.40 1cye h GLU 118 Ca 0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1cye h GLU 118 Cb 0.14 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1cye h GLU 118 CO -0.06 0.19 -0.00 0.87 -1.00 0.00 0.00 179.01 179.01 1cye h LYS 119 N 0.30 0.21 -0.41 2.33 6.56 -1.01 -3.05 116.57 121.49 1cye h LYS 119 Ca 0.44 -0.07 0.04 0.00 -1.06 0.00 0.00 60.65 59.99 1cye h LYS 119 Cb 0.75 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.36 1cye h LYS 119 CO -0.51 0.45 0.19 -0.07 -2.06 0.00 0.00 179.45 177.46 1cye h LEU 120 N -0.06 0.27 -0.45 2.94 3.38 0.34 -2.96 115.31 118.76 1cye h LEU 120 Ca 0.03 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1cye h LEU 120 Cb 0.36 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.99 1cye h LEU 120 CO 0.01 0.20 -0.29 0.78 0.09 0.00 0.00 178.44 179.23 1cye h ASN 121 N 0.39 -0.97 -0.54 -0.43 4.21 -0.48 -1.82 115.58 115.94 1cye h ASN 121 Ca 0.18 0.19 0.10 0.00 1.21 0.00 0.00 56.30 57.98 1cye h ASN 121 Cb 0.10 0.48 -0.08 0.00 -1.12 0.00 0.00 38.32 37.70 1cye h ASN 121 CO -0.14 -0.29 0.05 0.50 -1.29 0.00 0.00 177.43 176.26 1cye h LYS 122 N -0.19 0.16 0.63 0.81 3.64 -1.42 -0.83 116.57 119.37 1cye h LYS 122 Ca 0.20 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1cye h LYS 122 Cb 0.52 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1cye h LYS 122 CO -0.56 0.11 -0.38 0.82 -2.27 0.00 0.00 179.45 177.17 1cye h ILE 123 N 0.17 0.23 -0.42 2.00 1.08 -1.30 -0.93 117.51 118.33 1cye h ILE 123 Ca 0.28 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.83 1cye h ILE 123 Cb 0.42 0.23 -0.07 0.00 -3.07 0.00 0.00 36.82 34.33 1cye h ILE 123 CO -0.42 0.00 -0.04 -0.26 -0.69 0.00 0.00 178.15 176.74 1cye h PHE 124 N -0.95 -0.11 -0.32 1.37 0.04 -0.91 -1.26 116.94 114.81 1cye h PHE 124 Ca -0.08 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1cye h PHE 124 Cb 0.76 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1cye h PHE 124 CO -0.09 -0.13 0.20 0.93 -0.60 0.00 0.00 178.31 178.62 1cye h GLU 125 N 0.06 0.43 -0.80 1.51 5.08 -1.02 -1.41 114.58 118.42 1cye h GLU 125 Ca 0.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1cye h GLU 125 Cb 0.31 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1cye h GLU 125 CO -0.38 0.31 0.48 -0.22 -1.00 0.00 0.00 179.01 178.20 1cye h LYS 126 N 0.42 1.10 -0.62 2.33 3.64 -0.55 -2.26 116.57 120.62 1cye h LYS 126 Ca 0.12 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1cye h LYS 126 Cb -0.01 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1cye h LYS 126 CO -0.02 0.78 0.00 1.28 -2.27 0.00 0.00 179.45 179.21 1cye n LEU 127 N -4.46 3.56 0.00 5.20 4.32 -0.53 -4.96 117.00 120.13 1cye n LEU 127 Ca 0.08 -1.80 0.00 0.00 -0.02 0.00 0.00 56.01 54.27 1cye n LEU 127 Cb 0.06 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1cye n LEU 127 CO 0.37 0.59 0.00 0.61 -1.22 0.00 0.00 177.39 177.74 1cye n GLY 128 N 0.83 1.05 0.00 -0.72 0.00 -0.58 -5.02 105.19 100.75 1cye n GLY 128 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1cye n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47