#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 0.00 -4.49 6.15 7.64 -1.26 -4.83 113.62 116.83 1cye n SER 2 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1cye n SER 2 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.00 4.16 0.05 6.43 1.11 -1.26 -5.00 116.67 122.16 1cye s ASP 3 Ca 0.00 -0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.56 1cye s ASP 3 Cb 0.00 -0.96 0.00 0.00 1.07 0.00 0.00 42.92 43.03 1cye s ASP 3 CO 0.00 0.34 0.00 0.29 1.18 0.00 0.00 175.17 176.98 1cye n LYS 4 N 2.37 0.00 -1.65 8.23 5.02 -1.26 -4.93 118.16 125.94 1cye n LYS 4 Ca -0.17 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.72 1cye n LYS 4 Cb 0.52 -0.17 -0.02 0.00 -0.02 0.00 0.00 35.03 35.35 1cye n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1cye n GLU 5 N -2.83 4.05 -4.43 1.97 4.07 -1.26 -3.80 120.64 118.40 1cye n GLU 5 Ca 0.00 -2.79 -0.34 0.00 -0.06 0.00 0.00 57.16 53.97 1cye n GLU 5 Cb 0.14 -2.75 -0.12 0.00 -0.06 0.00 0.00 31.44 28.65 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1cye s LEU 6 N -0.73 3.29 -0.56 4.31 0.20 -1.26 -4.99 118.68 118.93 1cye s LEU 6 Ca 0.61 -0.07 -0.28 0.00 0.69 0.00 0.00 54.13 55.08 1cye s LEU 6 Cb 0.18 -1.77 0.03 0.00 -0.43 0.00 0.00 46.19 44.19 1cye s LEU 6 CO -0.07 0.23 1.19 -0.54 -0.29 0.00 0.00 176.35 176.87 1cye s LYS 7 N -0.01 3.54 -0.11 1.98 1.02 -1.26 -3.87 119.74 121.04 1cye s LYS 7 Ca 0.01 0.31 -0.04 0.00 0.02 0.00 0.00 55.97 56.27 1cye s LYS 7 Cb -0.13 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 1cye s LYS 7 CO 0.03 -1.64 0.06 -0.06 -0.92 0.00 0.00 175.35 172.81 1cye s PHE 8 N 4.92 3.33 -0.31 3.18 0.40 0.59 -1.34 117.98 128.75 1cye s PHE 8 Ca 0.44 0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 57.08 1cye s PHE 8 Cb -0.07 -1.87 0.06 0.00 0.51 0.00 0.00 43.02 41.65 1cye s PHE 8 CO 0.27 0.55 0.01 -1.17 0.70 0.00 0.00 175.22 175.58 1cye s LEU 9 N -0.85 4.07 -0.71 -0.37 0.20 -0.24 -0.35 118.68 120.42 1cye s LEU 9 Ca 0.13 -1.47 -0.24 0.00 0.69 0.00 0.00 54.13 53.24 1cye s LEU 9 Cb -0.12 -1.69 0.06 0.00 -0.43 0.00 0.00 46.19 44.01 1cye s LEU 9 CO 0.03 -0.29 1.08 -0.69 -0.29 0.00 0.00 176.35 176.19 1cye s VAL 10 N 1.18 4.16 -0.77 1.68 1.01 0.39 -0.91 120.40 127.13 1cye s VAL 10 Ca -0.03 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1cye s VAL 10 Cb -0.20 -4.77 0.20 0.00 0.00 0.00 0.00 36.38 31.61 1cye s VAL 10 CO -0.03 -1.60 0.70 -0.69 0.00 0.00 0.00 175.10 173.48 1cye s VAL 11 N 4.51 5.31 -0.14 2.92 1.01 0.10 -0.75 120.40 133.37 1cye s VAL 11 Ca 0.27 -2.46 -0.03 0.00 0.00 0.00 0.00 61.98 59.77 1cye s VAL 11 Cb -0.13 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 31.99 1cye s VAL 11 CO 0.10 -0.99 0.04 -1.81 0.00 0.00 0.00 175.10 172.43 1cye s ASP 12 N 2.08 2.21 0.56 3.32 1.01 -0.01 -0.85 116.67 124.99 1cye s ASP 12 Ca 0.16 -0.46 0.29 0.00 0.71 0.00 0.00 52.55 53.25 1cye s ASP 12 Cb -0.13 -0.43 1.47 0.00 1.01 0.00 0.00 42.92 44.83 1cye s ASP 12 CO -0.07 -0.27 1.93 -2.24 0.21 0.00 0.00 175.17 174.72 1cye h ASP 13 N 8.32 0.00 -3.60 0.27 2.03 -1.56 -3.38 116.42 118.50 1cye h ASP 13 Ca -0.17 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.48 1cye h ASP 13 Cb 1.13 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.47 1cye h ASP 13 CO 0.29 0.00 -0.08 0.12 -1.03 0.00 0.00 179.24 178.54 1cye s PHE 14 N -4.82 3.16 0.26 4.15 5.36 -1.26 -4.96 117.98 119.87 1cye s PHE 14 Ca -0.05 0.03 -0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1cye s PHE 14 Cb 0.18 -2.95 0.53 0.00 -0.34 0.00 0.00 43.02 40.44 1cye s PHE 14 CO 0.66 -0.60 1.63 0.66 -1.46 0.00 0.00 175.22 176.11 1cye h SER 15 N 8.56 -0.26 -0.20 6.13 4.64 -2.00 -0.32 113.55 130.10 1cye h SER 15 Ca -0.27 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1cye h SER 15 Cb 1.12 0.33 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 1cye h SER 15 CO 0.78 -0.18 0.13 0.74 -0.87 0.00 0.00 176.83 177.44 1cye h THR 16 N 0.13 1.06 -0.90 2.95 2.02 -1.92 -2.31 112.91 113.94 1cye h THR 16 Ca 0.46 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.51 1cye h THR 16 Cb 0.86 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1cye h THR 16 CO -0.68 0.06 0.48 0.24 0.37 0.00 0.00 175.52 175.99 1cye h MET 17 N 0.27 1.25 0.10 6.66 2.86 -1.59 -1.77 114.93 122.71 1cye h MET 17 Ca 0.07 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1cye h MET 17 Cb -0.02 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.36 1cye h MET 17 CO -0.02 0.92 -0.23 -0.09 1.06 0.00 0.00 176.91 178.56 1cye h ARG 18 N 1.26 -0.40 -0.93 1.72 2.43 -0.59 -2.11 114.38 115.75 1cye h ARG 18 Ca 0.31 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1cye h ARG 18 Cb 0.04 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1cye h ARG 18 CO -0.05 -0.27 0.54 0.00 -1.51 0.00 0.00 179.97 178.68 1cye h ARG 19 N -0.42 1.27 0.33 0.20 -0.00 -1.12 -2.16 114.38 112.49 1cye h ARG 19 Ca 0.03 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1cye h ARG 19 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 29.97 30.13 1cye h ARG 19 CO -0.14 0.90 -0.35 0.82 0.00 0.00 0.00 179.97 181.20 1cye h ILE 20 N 1.28 0.28 -0.55 2.04 2.04 -0.88 -1.74 117.51 119.98 1cye h ILE 20 Ca 0.33 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.23 1cye h ILE 20 Cb -0.03 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1cye h ILE 20 CO -0.06 0.00 0.31 0.58 0.00 0.00 0.00 178.15 178.98 1cye h VAL 21 N -0.72 1.00 -0.01 1.67 2.07 -1.17 -1.42 116.25 117.68 1cye h VAL 21 Ca -0.02 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1cye h VAL 21 Cb 0.65 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1cye h VAL 21 CO -0.07 0.11 -0.39 -0.09 0.02 0.00 0.00 177.57 177.15 1cye h ARG 22 N 0.60 -0.52 -0.81 1.57 2.43 -1.15 -1.09 114.38 115.41 1cye h ARG 22 Ca 0.24 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1cye h ARG 22 Cb 0.10 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1cye h ARG 22 CO -0.14 -0.34 0.54 -0.91 -1.51 0.00 0.00 179.97 177.61 1cye h ASN 23 N -0.54 0.92 0.16 -3.80 2.35 -0.85 -2.05 115.58 111.78 1cye h ASN 23 Ca 0.06 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1cye h ASN 23 Cb 0.62 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1cye h ASN 23 CO -0.31 0.66 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.86 1cye h LEU 24 N 1.09 -0.57 -0.45 1.61 3.38 -0.72 -0.38 115.31 119.27 1cye h LEU 24 Ca 0.30 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.40 1cye h LEU 24 Cb -0.11 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1cye h LEU 24 CO -0.07 -0.30 0.10 -0.07 0.09 0.00 0.00 178.44 178.19 1cye h LEU 25 N -0.42 0.02 -0.63 1.67 3.38 -0.95 -1.94 115.31 116.44 1cye h LEU 25 Ca 0.01 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1cye h LEU 25 Cb 0.42 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1cye h LEU 25 CO -0.08 0.05 0.37 0.11 0.09 0.00 0.00 178.44 178.97 1cye h LYS 26 N 0.24 0.68 -0.86 1.13 1.57 -1.03 0.43 116.57 118.73 1cye h LYS 26 Ca 0.22 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1cye h LYS 26 Cb 0.28 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1cye h LYS 26 CO -0.28 0.45 0.56 0.93 -0.57 0.00 0.00 179.45 180.54 1cye h GLU 27 N 0.70 1.03 0.00 3.15 5.08 -0.42 -0.58 114.58 123.54 1cye h GLU 27 Ca 0.26 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1cye h GLU 27 Cb 0.09 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1cye h GLU 27 CO -0.14 0.68 0.00 -0.07 -1.00 0.00 0.00 179.01 178.49 1cye h LEU 28 N 1.06 0.00 0.00 1.33 3.38 -0.59 -3.47 115.31 117.03 1cye h LEU 28 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1cye h LEU 28 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1cye h LEU 28 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1cye n GLY 29 N 0.70 1.09 3.45 0.83 0.00 -0.22 -5.03 105.19 106.01 1cye n GLY 29 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1cye n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cye s PHE 30 N -2.00 3.57 -0.46 1.61 0.08 0.05 -4.48 117.98 116.36 1cye s PHE 30 Ca 0.00 -2.16 0.26 0.00 0.12 0.00 0.00 56.93 55.15 1cye s PHE 30 Cb 0.00 -4.25 0.79 0.00 -0.57 0.00 0.00 43.02 38.99 1cye s PHE 30 CO 0.00 -1.35 1.75 -2.95 -0.10 0.00 0.00 175.22 172.57 1cye h ASN 31 N 7.20 0.00 -3.04 1.36 7.08 -1.79 -2.74 115.58 123.65 1cye h ASN 31 Ca 0.29 0.00 -0.74 0.00 -3.08 0.00 0.00 56.30 52.77 1cye h ASN 31 Cb 0.88 0.00 -0.22 0.00 -2.08 0.00 0.00 38.32 36.91 1cye h ASN 31 CO 1.21 0.00 0.55 0.20 -2.08 0.00 0.00 177.43 177.31 1cye s ASN 32 N -5.20 6.77 -0.08 6.14 -0.87 -1.25 -4.96 114.94 115.49 1cye s ASN 32 Ca 0.07 -2.49 0.02 0.00 -1.57 0.00 0.00 52.86 48.89 1cye s ASN 32 Cb 0.09 -2.31 0.01 0.00 -0.02 0.00 0.00 41.25 39.02 1cye s ASN 32 CO 0.58 -0.79 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.49 1cye s VAL 33 N 1.31 1.33 0.16 1.60 1.01 -1.26 -0.30 120.40 124.24 1cye s VAL 33 Ca 0.27 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1cye s VAL 33 Cb -0.07 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1cye s VAL 33 CO -0.08 0.40 0.01 -0.70 0.00 0.00 0.00 175.10 174.73 1cye s GLU 34 N 0.69 2.48 -0.14 2.72 2.12 0.52 -4.98 118.70 122.12 1cye s GLU 34 Ca -0.14 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1cye s GLU 34 Cb -0.16 -2.42 0.02 0.00 0.26 0.00 0.00 34.13 31.83 1cye s GLU 34 CO 0.03 0.47 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.89 1cye s GLU 35 N -2.86 2.13 0.31 4.30 2.02 -1.26 -0.46 118.70 122.88 1cye s GLU 35 Ca 0.27 -0.50 0.11 0.00 0.02 0.00 0.00 54.97 54.87 1cye s GLU 35 Cb -0.10 -1.97 -0.06 0.00 0.10 0.00 0.00 34.13 32.11 1cye s GLU 35 CO 0.19 -0.22 -0.15 0.00 0.02 0.00 0.00 175.26 175.10 1cye s ALA 36 N 1.46 2.81 -0.19 5.21 0.00 0.07 -4.97 121.76 126.15 1cye s ALA 36 Ca 0.03 -1.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.00 1cye s ALA 36 Cb -0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 23.12 22.73 1cye s ALA 36 CO -0.09 0.18 -0.20 -0.85 0.00 0.00 0.00 175.76 174.80 1cye n GLU 37 N -0.69 0.46 -4.36 0.00 0.28 -1.26 -0.83 120.64 114.24 1cye n GLU 37 Ca -0.05 0.14 -0.18 0.00 -0.16 0.00 0.00 57.16 56.90 1cye n GLU 37 Cb 0.62 -1.33 -0.10 0.00 1.43 0.00 0.00 31.44 32.06 1cye n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1cye s ASP 38 N -6.16 1.55 0.18 -1.84 1.47 -1.26 -1.69 116.67 108.93 1cye s ASP 38 Ca -0.26 -1.38 -0.20 0.00 1.18 0.00 0.00 52.55 51.88 1cye s ASP 38 Cb 0.08 0.09 0.12 0.00 -0.34 0.00 0.00 42.92 42.88 1cye s ASP 38 CO 0.41 -0.70 1.60 1.23 0.68 0.00 0.00 175.17 178.40 1cye h GLY 39 N 2.30 -0.02 0.64 2.12 0.00 -1.26 -0.81 103.07 106.04 1cye h GLY 39 Ca -0.39 0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.31 1cye h GLY 39 CO 0.63 -0.22 -0.26 -2.08 0.00 0.00 0.00 176.54 174.62 1cye h VAL 40 N -0.16 0.45 -0.76 4.60 2.07 -1.88 -0.67 116.25 119.90 1cye h VAL 40 Ca 0.22 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.83 1cye h VAL 40 Cb 0.52 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1cye h VAL 40 CO -0.61 0.00 0.50 -0.78 0.02 0.00 0.00 177.57 176.70 1cye h ASP 41 N -0.50 0.64 -0.01 0.57 3.58 -1.82 -1.95 116.42 116.92 1cye h ASP 41 Ca 0.01 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1cye h ASP 41 Cb 0.50 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 1cye h ASP 41 CO -0.10 0.39 -0.00 0.00 -2.88 0.00 0.00 179.24 176.65 1cye h ALA 42 N 1.61 0.01 -0.79 -0.78 0.00 -0.47 -2.37 119.26 116.47 1cye h ALA 42 Ca 0.34 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1cye h ALA 42 Cb 0.40 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1cye h ALA 42 CO -0.12 -0.31 0.41 -0.07 0.00 0.00 0.00 179.25 179.16 1cye h LEU 43 N -0.35 0.53 0.77 0.00 3.38 -0.36 0.35 115.31 119.62 1cye h LEU 43 Ca 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1cye h LEU 43 Cb 0.37 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1cye h LEU 43 CO 0.00 0.27 -0.47 0.78 0.09 0.00 0.00 178.44 179.11 1cye h ASN 44 N 0.65 -1.18 -0.96 -0.43 4.21 -1.49 -2.88 115.58 113.50 1cye h ASN 44 Ca 0.40 0.06 0.05 0.00 1.21 0.00 0.00 56.30 58.03 1cye h ASN 44 Cb 0.47 0.34 -0.06 0.00 -1.12 0.00 0.00 38.32 37.95 1cye h ASN 44 CO -0.30 -0.73 0.62 0.11 -1.29 0.00 0.00 177.43 175.84 1cye h LYS 45 N -1.16 1.12 -0.30 0.81 1.57 -0.80 -2.51 116.57 115.29 1cye h LYS 45 Ca -0.10 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1cye h LYS 45 Cb 0.93 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1cye h LYS 45 CO 0.11 0.74 0.05 -0.07 -0.57 0.00 0.00 179.45 179.71 1cye h LEU 46 N 1.15 -0.00 0.00 2.94 3.38 -0.33 -2.01 115.31 120.43 1cye h LEU 46 Ca 0.40 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1cye h LEU 46 Cb 0.10 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1cye h LEU 46 CO -0.15 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.41 1cye n GLN 47 N -5.10 0.25 0.00 1.13 6.02 -0.96 -2.81 117.38 115.91 1cye n GLN 47 Ca 0.00 0.12 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 1cye n GLN 47 Cb 0.14 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 30.24 1cye n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cye n ALA 48 N -1.29 1.76 0.00 -1.58 0.00 -0.76 -4.94 120.51 113.71 1cye n ALA 48 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1cye n ALA 48 Cb 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1cye n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 49 N -0.01 2.66 3.95 0.00 0.00 -1.12 -5.04 105.19 105.62 1cye n GLY 49 Ca 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.93 1.79 3.58 -0.02 0.00 -1.26 -4.97 105.19 105.24 1cye n GLY 50 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.80 1.54 -0.24 1.61 2.02 -1.26 -4.44 117.35 114.78 1cye s TYR 51 Ca 0.00 0.84 0.14 0.00 -0.37 0.00 0.00 57.07 57.68 1cye s TYR 51 Cb 0.00 -3.99 0.80 0.00 -0.40 0.00 0.00 41.96 38.37 1cye s TYR 51 CO 0.00 -2.84 1.73 0.41 -1.57 0.00 0.00 175.55 173.28 1cye n GLY 52 N 5.66 3.14 3.64 0.71 0.00 -0.45 -4.91 105.19 112.98 1cye n GLY 52 Ca 0.26 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.80 -0.39 -0.15 1.61 2.19 -1.08 -4.30 117.98 113.06 1cye s PHE 53 Ca 0.54 0.89 0.00 0.00 0.33 0.00 0.00 56.93 58.69 1cye s PHE 53 Cb 0.41 0.36 0.02 0.00 -1.31 0.00 0.00 43.02 42.51 1cye s PHE 53 CO 0.15 -0.19 -0.14 0.08 1.83 0.00 0.00 175.22 176.95 1cye s VAL 54 N 0.50 1.57 -0.40 3.12 1.01 -0.03 -1.08 120.40 125.09 1cye s VAL 54 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1cye s VAL 54 Cb -0.05 -1.49 0.09 0.00 0.00 0.00 0.00 36.38 34.94 1cye s VAL 54 CO -0.10 0.43 0.19 -0.63 0.00 0.00 0.00 175.10 174.99 1cye s ILE 55 N 1.48 3.49 -0.08 2.22 1.01 -0.08 -0.31 121.20 128.93 1cye s ILE 55 Ca 0.04 -1.79 0.05 0.00 0.00 0.00 0.00 60.65 58.95 1cye s ILE 55 Cb -0.13 -3.26 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 1cye s ILE 55 CO -0.10 -0.56 -0.23 -0.55 0.00 0.00 0.00 174.94 173.50 1cye s SER 56 N 1.84 2.89 0.16 3.58 0.15 0.09 0.02 113.70 122.42 1cye s SER 56 Ca 0.05 -0.50 -0.31 0.00 0.70 0.00 0.00 55.95 55.89 1cye s SER 56 Cb -0.22 -1.08 -0.09 0.00 -1.71 0.00 0.00 66.02 62.91 1cye s SER 56 CO -0.02 0.18 1.40 -0.62 1.20 0.00 0.00 173.24 175.37 1cye s ASP 57 N 0.16 6.79 0.12 5.45 -1.08 -0.03 -0.29 116.67 127.79 1cye s ASP 57 Ca -0.12 2.43 -0.22 0.00 -0.52 0.00 0.00 52.55 54.12 1cye s ASP 57 Cb -0.16 -2.60 -0.05 0.00 -1.46 0.00 0.00 42.92 38.65 1cye s ASP 57 CO 0.06 -0.65 1.69 -0.25 0.52 0.00 0.00 175.17 176.55 1cye h TRP 58 N 6.17 -0.23 -2.71 -5.34 2.91 -1.13 -2.48 115.95 113.14 1cye h TRP 58 Ca -0.43 0.02 -0.71 0.00 1.13 0.00 0.00 58.89 58.89 1cye h TRP 58 Cb 1.21 0.12 -0.19 0.00 -0.51 0.00 0.00 29.16 29.78 1cye h TRP 58 CO 0.64 -0.14 0.69 0.54 -1.03 0.00 0.00 178.44 179.13 1cye s ASN 59 N -5.11 6.67 -0.04 2.65 4.22 -1.26 -0.67 114.94 121.40 1cye s ASN 59 Ca -0.14 -2.21 0.05 0.00 -2.14 0.00 0.00 52.86 48.42 1cye s ASN 59 Cb 0.09 -2.36 -0.01 0.00 1.28 0.00 0.00 41.25 40.26 1cye s ASN 59 CO 0.67 -0.95 -0.19 -0.04 -2.04 0.00 0.00 177.10 174.55 1cye s MET 60 N 2.10 1.93 0.57 3.55 -1.94 -1.26 -4.76 119.30 119.48 1cye s MET 60 Ca 0.30 -0.69 -0.19 0.00 -1.71 0.00 0.00 55.69 53.39 1cye s MET 60 Cb -0.06 -1.69 -0.06 0.00 2.01 0.00 0.00 34.83 35.03 1cye s MET 60 CO -0.09 0.30 0.93 -2.30 -0.01 0.00 0.00 175.02 173.85 1cye n PRO 61 N 3.02 0.95 0.00 2.03 -0.02 -1.26 -2.87 135.00 136.85 1cye n PRO 61 Ca -0.17 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1cye n PRO 61 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1cye n PRO 61 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1cye n ASN 62 N -0.42 0.00 -3.98 2.55 0.23 -1.26 -4.35 115.26 108.03 1cye n ASN 62 Ca 0.13 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.87 1cye n ASN 62 Cb 0.46 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.01 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1cye s MET 63 N 0.00 1.48 1.02 -3.83 0.00 -1.26 -5.03 119.30 111.68 1cye s MET 63 Ca 0.00 -1.63 -0.12 0.00 0.00 0.00 0.00 55.69 53.94 1cye s MET 63 Cb 0.00 -2.94 0.20 0.00 0.00 0.00 0.00 34.83 32.09 1cye s MET 63 CO 0.00 -0.87 1.08 -0.51 0.00 0.00 0.00 175.02 174.71 1cye s ASP 64 N 1.07 2.33 0.17 1.11 1.11 -1.14 -0.99 116.67 120.34 1cye s ASP 64 Ca 0.07 1.47 -0.21 0.00 0.18 0.00 0.00 52.55 54.05 1cye s ASP 64 Cb -0.19 -2.15 0.08 0.00 1.07 0.00 0.00 42.92 41.73 1cye s ASP 64 CO -0.10 -3.35 1.61 1.23 1.18 0.00 0.00 175.17 175.74 1cye h GLY 65 N -2.04 -0.12 0.88 0.21 0.00 -0.40 0.56 103.07 102.16 1cye h GLY 65 Ca -0.54 0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.19 1cye h GLY 65 CO 0.53 -0.21 0.61 -2.00 0.00 0.00 0.00 176.54 175.47 1cye h LEU 66 N -0.21 0.96 -0.36 3.11 5.85 -1.83 -1.11 115.31 121.72 1cye h LEU 66 Ca 0.18 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.72 1cye h LEU 66 Cb 0.50 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1cye h LEU 66 CO -0.51 0.64 -0.63 -0.33 -0.34 0.00 0.00 178.44 177.27 1cye h GLU 67 N 1.10 0.68 -0.73 1.25 3.07 -1.49 -2.64 114.58 115.83 1cye h GLU 67 Ca 0.39 -0.48 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1cye h GLU 67 Cb 0.12 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 1cye h GLU 67 CO -0.14 1.10 0.46 1.25 -1.40 0.00 0.00 179.01 180.28 1cye h LEU 68 N 0.50 0.86 -0.51 1.33 5.85 -0.26 -1.49 115.31 121.59 1cye h LEU 68 Ca -0.01 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1cye h LEU 68 Cb 1.21 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1cye h LEU 68 CO 0.13 0.65 0.18 0.25 -0.34 0.00 0.00 178.44 179.31 1cye h LEU 69 N 0.99 0.17 -0.44 2.25 5.85 -1.02 -1.39 115.31 121.73 1cye h LEU 69 Ca 0.26 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 1cye h LEU 69 Cb -0.06 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1cye h LEU 69 CO -0.05 0.13 0.27 0.11 -0.34 0.00 0.00 178.44 178.55 1cye h LYS 70 N 0.35 0.59 -0.49 1.25 1.57 -1.02 0.38 116.57 119.20 1cye h LYS 70 Ca 0.25 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1cye h LYS 70 Cb 0.27 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1cye h LYS 70 CO -0.25 0.42 0.28 1.79 -0.57 0.00 0.00 179.45 181.12 1cye h THR 71 N 0.58 1.15 0.26 -0.16 1.35 -0.58 0.12 112.91 115.64 1cye h THR 71 Ca 0.16 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 1cye h THR 71 Cb -0.02 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1cye h THR 71 CO -0.03 0.16 -0.12 0.40 -0.25 0.00 0.00 175.52 175.68 1cye h ILE 72 N 0.68 0.49 -0.83 6.82 2.04 -0.50 -3.20 117.51 123.02 1cye h ILE 72 Ca 0.18 -0.90 0.12 0.00 1.00 0.00 0.00 64.86 65.26 1cye h ILE 72 Cb 0.01 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1cye h ILE 72 CO -0.03 0.12 0.44 0.03 0.00 0.00 0.00 178.15 178.71 1cye h ARG 73 N -0.97 0.65 -0.00 2.37 2.47 -0.66 -1.34 114.38 116.90 1cye h ARG 73 Ca -0.04 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1cye h ARG 73 Cb 0.47 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1cye h ARG 73 CO 0.06 0.43 -0.36 0.00 0.56 0.00 0.00 179.97 180.66 1cye h ALA 74 N 1.51 1.40 -1.66 0.04 0.00 -0.89 -3.39 119.26 116.28 1cye h ALA 74 Ca 0.43 -0.33 -0.63 0.00 0.00 0.00 0.00 54.91 54.38 1cye h ALA 74 Cb 0.53 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.12 1cye h ALA 74 CO -0.32 0.46 0.54 0.34 0.00 0.00 0.00 179.25 180.26 1cye s ASP 75 N -6.94 6.17 0.00 0.00 -1.08 -0.51 -4.98 116.67 109.33 1cye s ASP 75 Ca -0.03 -1.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 1cye s ASP 75 Cb 0.14 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1cye s ASP 75 CO 0.73 -1.44 0.00 0.61 0.52 0.00 0.00 175.17 175.59 1cye n GLY 76 N 5.33 0.00 0.33 2.66 0.00 -1.26 -0.21 105.19 112.03 1cye n GLY 76 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 1.16 0.00 4.61 0.00 -1.93 -2.83 119.26 120.27 1cye h ALA 77 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1cye h ALA 77 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1cye h ALA 77 CO 0.00 0.37 -0.25 0.52 0.00 0.00 0.00 179.25 179.89 1cye h MET 78 N 1.06 0.00 -0.71 0.00 2.86 -0.82 -3.24 114.93 114.07 1cye h MET 78 Ca 0.36 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 58.20 1cye h MET 78 Cb 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1cye h MET 78 CO -0.13 0.25 0.58 0.77 1.06 0.00 0.00 176.91 179.44 1cye h SER 79 N 0.00 0.00 0.56 1.22 0.02 -1.04 0.35 113.55 114.67 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 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1cye h SER 79 CO 0.03 0.00 -0.55 0.00 -1.14 0.00 0.00 176.83 175.18 1cye n ALA 80 N -2.57 3.42 -2.50 3.77 0.00 -1.22 -4.82 120.51 116.58 1cye n ALA 80 Ca 0.14 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1cye n ALA 80 Cb 0.84 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.26 3.86 0.15 0.00 1.43 0.11 -4.97 118.68 116.00 1cye s LEU 81 Ca 0.10 1.07 -0.34 0.00 -1.03 0.00 0.00 54.13 53.92 1cye s LEU 81 Cb 0.17 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.69 1cye s LEU 81 CO 0.71 -1.05 1.27 -0.81 0.23 0.00 0.00 176.35 176.70 1cye n PRO 82 N 7.27 1.31 -4.16 1.29 -0.04 -1.26 -4.78 135.00 134.63 1cye n PRO 82 Ca 0.14 0.47 -0.32 0.00 -0.04 0.00 0.00 63.50 63.74 1cye n PRO 82 Cb 0.47 -2.05 -0.16 0.00 -0.04 0.00 0.00 33.50 31.72 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 0.12 1.98 -0.35 0.52 1.01 -1.26 -0.85 120.40 121.57 1cye s VAL 83 Ca 0.77 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1cye s VAL 83 Cb -0.86 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 33.80 1cye s VAL 83 CO 0.49 0.53 0.10 -0.22 0.00 0.00 0.00 175.10 176.00 1cye s LEU 84 N 1.27 4.46 -0.19 3.92 2.96 0.58 -1.11 118.68 130.58 1cye s LEU 84 Ca 0.04 -1.44 -0.28 0.00 -0.22 0.00 0.00 54.13 52.22 1cye s LEU 84 Cb -0.13 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 1cye s LEU 84 CO -0.12 -0.37 0.98 -0.04 -1.32 0.00 0.00 176.35 175.48 1cye s MET 85 N 1.28 4.30 -0.54 1.98 -1.94 -0.33 -0.73 119.30 123.32 1cye s MET 85 Ca -0.00 1.27 -0.17 0.00 -1.71 0.00 0.00 55.69 55.08 1cye s MET 85 Cb -0.21 -3.61 0.10 0.00 2.01 0.00 0.00 34.83 33.13 1cye s MET 85 CO -0.00 -0.49 0.56 0.08 -0.01 0.00 0.00 175.02 175.15 1cye s VAL 86 N 2.69 5.06 0.03 -6.03 1.01 0.60 -0.05 120.40 123.70 1cye s VAL 86 Ca 0.43 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1cye s VAL 86 Cb -0.16 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1cye s VAL 86 CO 0.10 -0.89 -0.07 0.28 0.00 0.00 0.00 175.10 174.53 1cye s THR 87 N 2.05 3.64 0.32 3.92 -1.32 -0.49 -0.48 115.64 123.27 1cye s THR 87 Ca 0.07 -0.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.69 1cye s THR 87 Cb -0.26 -2.62 0.29 0.00 -1.51 0.00 0.00 72.50 68.40 1cye s THR 87 CO 0.06 0.32 1.91 0.00 -2.21 0.00 0.00 174.62 174.69 1cye h ALA 88 N 4.25 1.58 -2.21 11.08 0.00 -1.86 -1.19 119.26 130.91 1cye h ALA 88 Ca -0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1cye h ALA 88 Cb 1.17 -0.23 -0.20 0.00 0.00 0.00 0.00 17.79 18.52 1cye h ALA 88 CO 0.54 0.26 0.02 -1.21 0.00 0.00 0.00 179.25 178.86 1cye s GLU 89 N -5.84 0.87 -1.10 0.00 8.01 -1.26 -4.44 118.70 114.93 1cye s GLU 89 Ca -0.11 0.30 -0.21 0.00 0.01 0.00 0.00 54.97 54.97 1cye s GLU 89 Cb 0.20 0.41 0.07 0.00 -4.31 0.00 0.00 34.13 30.50 1cye s GLU 89 CO 0.79 -0.23 1.50 0.00 0.01 0.00 0.00 175.26 177.34 1cye s ALA 90 N -0.81 3.00 -0.06 5.21 0.00 -1.26 -4.90 121.76 122.94 1cye s ALA 90 Ca -0.09 -2.54 0.05 0.00 0.00 0.00 0.00 51.96 49.38 1cye s ALA 90 Cb -0.02 -4.50 -0.00 0.00 0.00 0.00 0.00 23.12 18.59 1cye s ALA 90 CO 0.06 -3.43 -0.20 0.21 0.00 0.00 0.00 175.76 172.40 1cye s LYS 91 N 4.40 2.20 0.05 0.00 2.36 -1.26 -5.06 119.74 122.43 1cye s LYS 91 Ca 0.47 -0.73 -0.10 0.00 -2.55 0.00 0.00 55.97 53.06 1cye s LYS 91 Cb 0.01 -1.84 -0.02 0.00 -1.05 0.00 0.00 37.83 34.92 1cye s LYS 91 CO -0.04 0.26 0.54 1.63 1.55 0.00 0.00 175.35 179.29 1cye n LYS 92 N 3.18 -0.15 -0.01 4.03 5.02 -1.26 -1.24 118.16 127.73 1cye n LYS 92 Ca -0.18 0.53 -0.09 0.00 -2.02 0.00 0.00 58.31 56.55 1cye n LYS 92 Cb 0.53 -0.78 -0.03 0.00 -0.02 0.00 0.00 35.03 34.73 1cye n LYS 92 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cye h GLU 93 N 0.00 -0.22 -0.52 1.97 3.07 -1.98 0.73 114.58 117.63 1cye h GLU 93 Ca 0.05 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.83 1cye h GLU 93 Cb 0.14 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1cye h GLU 93 CO -0.32 -0.15 -0.08 -2.95 -1.40 0.00 0.00 179.01 174.11 1cye h ASN 94 N -0.23 0.94 0.44 1.42 7.08 -1.53 -1.63 115.58 122.08 1cye h ASN 94 Ca 0.11 -0.29 -0.02 0.00 -3.08 0.00 0.00 56.30 53.02 1cye h ASN 94 Cb 0.38 -0.26 -0.00 0.00 -2.08 0.00 0.00 38.32 36.37 1cye h ASN 94 CO -0.29 1.05 -0.25 0.40 -2.08 0.00 0.00 177.43 176.26 1cye h ILE 95 N 0.86 0.47 0.09 6.14 2.04 -0.79 -0.40 117.51 125.91 1cye h ILE 95 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 1cye h ILE 95 Cb 0.62 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1cye h ILE 95 CO 0.04 0.00 -0.27 0.40 0.00 0.00 0.00 178.15 178.32 1cye h ILE 96 N -0.66 0.40 -0.43 -0.67 2.04 -0.73 -0.85 117.51 116.63 1cye h ILE 96 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1cye h ILE 96 Cb 0.53 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 1cye h ILE 96 CO 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.16 1cye h ALA 97 N 0.28 0.34 0.09 1.87 0.00 -1.12 -1.17 119.26 119.55 1cye h ALA 97 Ca 0.04 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1cye h ALA 97 Cb 0.51 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1cye h ALA 97 CO -0.18 -0.43 -0.04 0.00 0.00 0.00 0.00 179.25 178.61 1cye h ALA 98 N 1.40 -0.12 0.01 0.00 0.00 -0.75 -2.72 119.26 117.10 1cye h ALA 98 Ca 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cye h ALA 98 Cb 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1cye h ALA 98 CO -0.40 -0.49 -0.07 0.00 0.00 0.00 0.00 179.25 178.29 1cye h ALA 99 N 0.63 -0.09 0.00 0.00 0.00 -0.73 -1.76 119.26 117.31 1cye h ALA 99 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1cye h ALA 99 Cb 0.23 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cye h ALA 99 CO 0.02 -0.57 -0.12 -0.56 0.00 0.00 0.00 179.25 178.02 1cye h GLN 100 N -0.13 0.00 -0.00 0.00 3.07 -1.25 -2.01 115.11 114.78 1cye h GLN 100 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1cye h GLN 100 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1cye h GLN 100 CO -0.06 0.12 -0.19 0.00 0.09 0.00 0.00 178.83 178.79 1cye n ALA 101 N -2.32 2.91 0.00 0.06 0.00 -0.97 -4.95 120.51 115.25 1cye n ALA 101 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1cye n ALA 101 Cb 0.23 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.34 0.92 3.66 0.00 0.00 -0.76 -4.48 105.19 105.88 1cye n GLY 102 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 3.54 0.41 4.61 0.00 -0.70 -4.78 121.76 122.84 1cye s ALA 103 Ca 0.00 1.26 0.12 0.00 0.00 0.00 0.00 51.96 53.34 1cye s ALA 103 Cb 0.00 -3.85 0.86 0.00 0.00 0.00 0.00 23.12 20.13 1cye s ALA 103 CO 0.00 -1.62 1.92 0.77 0.00 0.00 0.00 175.76 176.83 1cye h SER 104 N 10.73 0.06 -5.71 0.00 0.02 -1.46 -3.42 113.55 113.77 1cye h SER 104 Ca -0.48 -0.01 0.30 0.00 -0.84 0.00 0.00 61.79 60.76 1cye h SER 104 Cb 1.23 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.65 1cye h SER 104 CO 0.94 0.29 0.78 -0.83 -1.14 0.00 0.00 176.83 176.88 1cye s GLY 105 N -4.18 -0.36 -0.06 -3.77 0.00 -0.93 -4.74 107.32 93.27 1cye s GLY 105 Ca -0.04 0.55 -0.03 0.00 0.00 0.00 0.00 44.72 45.20 1cye s GLY 105 CO 0.72 0.49 0.14 -2.52 0.00 0.00 0.00 173.10 171.92 1cye s TYR 106 N -2.52 -0.15 -0.18 1.90 1.13 -1.26 -1.19 117.35 115.09 1cye s TYR 106 Ca 0.15 0.47 -0.03 0.00 -1.41 0.00 0.00 57.07 56.25 1cye s TYR 106 Cb 0.04 -0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 40.77 1cye s TYR 106 CO -0.03 -0.17 -0.07 0.54 -2.51 0.00 0.00 175.55 173.31 1cye s VAL 107 N 1.28 3.31 -0.12 -3.49 0.11 0.93 -4.93 120.40 117.49 1cye s VAL 107 Ca -0.08 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.14 1cye s VAL 107 Cb -0.12 -2.46 -0.02 0.00 -1.53 0.00 0.00 36.38 32.25 1cye s VAL 107 CO -0.06 0.47 1.15 -0.69 -3.33 0.00 0.00 175.10 172.64 1cye s VAL 108 N 0.95 4.45 -0.04 2.04 1.01 -1.26 -1.40 120.40 126.15 1cye s VAL 108 Ca -0.01 1.75 -0.18 0.00 0.00 0.00 0.00 61.98 63.54 1cye s VAL 108 Cb -0.15 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1cye s VAL 108 CO 0.00 -0.06 0.51 -1.59 0.00 0.00 0.00 175.10 173.96 1cye s LYS 109 N 2.59 4.23 0.31 2.72 -2.85 -0.45 -3.11 119.74 123.17 1cye s LYS 109 Ca 0.52 0.56 -0.28 0.00 -1.00 0.00 0.00 55.97 55.77 1cye s LYS 109 Cb -0.21 -3.34 -0.09 0.00 -2.06 0.00 0.00 37.83 32.13 1cye s LYS 109 CO 0.17 0.39 1.06 -2.14 0.10 0.00 0.00 175.35 174.93 1cye s PRO 110 N -0.18 4.55 0.06 1.78 0.02 -1.26 -4.73 135.00 135.24 1cye s PRO 110 Ca 0.27 1.68 0.07 0.00 0.02 0.00 0.00 61.00 63.04 1cye s PRO 110 Cb -0.17 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 1cye s PRO 110 CO 0.14 0.17 -0.19 -0.59 -0.33 0.00 0.00 177.00 176.20 1cye s PHE 111 N -1.30 1.60 0.49 6.54 -0.71 -1.18 -5.15 117.98 118.27 1cye s PHE 111 Ca 0.47 -0.39 0.06 0.00 -1.04 0.00 0.00 56.93 56.03 1cye s PHE 111 Cb -0.28 -0.92 0.03 0.00 -1.21 0.00 0.00 43.02 40.63 1cye s PHE 111 CO 0.36 0.11 0.67 0.95 -1.34 0.00 0.00 175.22 175.97 1cye s THR 112 N -0.98 2.78 0.37 -4.49 -4.23 -1.26 -4.92 115.64 102.92 1cye s THR 112 Ca 0.05 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.77 1cye s THR 112 Cb -0.09 -2.91 0.31 0.00 1.34 0.00 0.00 72.50 71.15 1cye s THR 112 CO 0.02 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.03 1cye h ALA 113 N 0.37 1.80 -0.01 3.99 0.00 -1.99 0.39 119.26 123.81 1cye h ALA 113 Ca -0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1cye h ALA 113 Cb 1.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cye h ALA 113 CO 0.47 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1cye h ALA 114 N 1.61 0.02 -0.45 0.00 0.00 -1.97 0.32 119.26 118.79 1cye h ALA 114 Ca 0.36 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1cye h ALA 114 Cb 0.48 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1cye h ALA 114 CO -0.13 -0.33 0.24 1.15 0.00 0.00 0.00 179.25 180.18 1cye h THR 115 N -0.27 1.00 0.46 0.00 2.02 -1.77 -0.90 112.91 113.44 1cye h THR 115 Ca 0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1cye h THR 115 Cb 0.30 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1cye h THR 115 CO 0.00 0.09 -0.28 0.25 0.37 0.00 0.00 175.52 175.95 1cye h LEU 116 N 0.48 -0.69 -1.35 2.58 5.85 -0.79 -2.66 115.31 118.73 1cye h LEU 116 Ca 0.19 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1cye h LEU 116 Cb 0.07 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1cye h LEU 116 CO -0.12 -0.44 0.45 1.05 -0.34 0.00 0.00 178.44 179.04 1cye h GLU 117 N -0.70 0.83 -0.25 1.25 -0.00 -0.51 -1.33 114.58 113.86 1cye h GLU 117 Ca -0.05 -0.05 0.05 0.00 -0.00 0.00 0.00 59.36 59.30 1cye h GLU 117 Cb 0.57 -0.19 -0.04 0.00 -0.00 0.00 0.00 28.75 29.09 1cye h GLU 117 CO 0.06 0.55 -0.02 0.93 -0.00 0.00 0.00 179.01 180.52 1cye h GLU 118 N 0.86 0.05 -0.31 1.06 5.08 -0.90 -0.27 114.58 120.15 1cye h GLU 118 Ca 0.27 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1cye h GLU 118 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1cye h GLU 118 CO -0.07 0.03 0.04 0.87 -1.00 0.00 0.00 179.01 178.88 1cye h LYS 119 N 0.05 0.51 -0.50 2.33 1.79 -1.05 -2.79 116.57 116.91 1cye h LYS 119 Ca 0.12 -0.14 0.08 0.00 -2.18 0.00 0.00 60.65 58.53 1cye h LYS 119 Cb 0.17 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 1cye h LYS 119 CO -0.23 0.62 0.15 -0.07 -1.08 0.00 0.00 179.45 178.84 1cye h LEU 120 N 0.33 0.11 -0.02 2.94 3.38 -0.87 -1.56 115.31 119.61 1cye h LEU 120 Ca 0.09 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1cye h LEU 120 Cb 0.36 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1cye h LEU 120 CO 0.01 0.09 -0.20 0.78 0.09 0.00 0.00 178.44 179.21 1cye h ASN 121 N 0.31 -0.58 -0.79 -0.43 2.35 -0.91 -0.44 115.58 115.08 1cye h ASN 121 Ca 0.25 0.09 0.09 0.00 -0.55 0.00 0.00 56.30 56.17 1cye h ASN 121 Cb 0.30 0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.84 1cye h ASN 121 CO -0.28 -0.26 0.45 0.50 -1.65 0.00 0.00 177.43 176.19 1cye h LYS 122 N -0.30 0.74 -0.23 0.81 3.64 -1.17 -1.02 116.57 119.04 1cye h LYS 122 Ca 0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1cye h LYS 122 Cb 0.39 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1cye h LYS 122 CO -0.20 0.49 0.07 0.82 -2.27 0.00 0.00 179.45 178.36 1cye h ILE 123 N 0.76 1.20 -0.54 2.00 2.04 -0.70 -1.77 117.51 120.50 1cye h ILE 123 Ca 0.38 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1cye h ILE 123 Cb 0.34 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1cye h ILE 123 CO -0.24 0.20 0.36 -0.26 0.00 0.00 0.00 178.15 178.21 1cye h PHE 124 N 0.21 0.64 -0.10 1.37 0.04 -0.30 0.24 116.94 119.04 1cye h PHE 124 Ca 0.08 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1cye h PHE 124 Cb 0.24 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1cye h PHE 124 CO 0.00 0.39 0.04 0.93 -0.60 0.00 0.00 178.31 179.08 1cye h GLU 125 N 0.68 0.14 -0.97 1.51 5.08 -0.88 -1.22 114.58 118.93 1cye h GLU 125 Ca 0.21 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1cye h GLU 125 Cb -0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1cye h GLU 125 CO -0.05 0.24 0.62 0.87 -1.00 0.00 0.00 179.01 179.69 1cye h LYS 126 N 0.01 1.30 -0.66 2.33 1.57 -0.57 -1.75 116.57 118.80 1cye h LYS 126 Ca 0.03 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1cye h LYS 126 Cb 0.15 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1cye h LYS 126 CO -0.00 0.88 0.00 1.28 -0.57 0.00 0.00 179.45 181.04 1cye n LEU 127 N -4.37 2.71 0.00 2.94 7.99 0.00 -4.97 117.00 121.30 1cye n LEU 127 Ca 0.11 -1.37 0.00 0.00 -0.01 0.00 0.00 56.01 54.74 1cye n LEU 127 Cb 0.03 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.87 1cye n LEU 127 CO 0.37 0.43 0.00 0.61 -1.51 0.00 0.00 177.39 177.29 1cye n GLY 128 N 0.51 1.60 0.00 -0.72 0.00 -0.48 -4.99 105.19 101.11 1cye n GLY 128 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35