#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 0.26 -3.53 6.15 3.41 -1.26 -3.07 113.62 115.58 1cye n SER 2 Ca 0.00 -1.22 -0.27 0.00 -0.26 0.00 0.00 58.87 57.12 1cye n SER 2 Cb 0.00 -0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 63.73 1cye n SER 2 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1cye n ASP 3 N -0.20 3.53 0.00 4.04 5.75 -1.26 -4.91 116.55 123.50 1cye n ASP 3 Ca 0.00 -3.38 0.00 0.00 -0.01 0.00 0.00 54.79 51.40 1cye n ASP 3 Cb 0.06 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1cye n ASP 3 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1cye n LYS 4 N 1.11 0.00 -0.70 0.11 5.02 -1.26 -4.60 118.16 117.84 1cye n LYS 4 Ca 0.28 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.47 1cye n LYS 4 Cb 0.40 -0.45 0.03 0.00 -0.02 0.00 0.00 35.03 34.99 1cye n LYS 4 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1cye n GLU 5 N 0.00 1.48 -3.50 1.97 -0.00 -1.26 -2.20 120.64 117.13 1cye n GLU 5 Ca 0.00 -0.94 -0.37 0.00 -0.00 0.00 0.00 57.16 55.85 1cye n GLU 5 Cb 0.00 -1.37 -0.07 0.00 -0.00 0.00 0.00 31.44 30.00 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 -1.09 4.20 -0.57 -1.84 2.96 -1.18 -4.76 118.68 116.40 1cye s LEU 6 Ca 0.19 0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 54.29 1cye s LEU 6 Cb 0.15 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.47 1cye s LEU 6 CO 0.00 0.04 1.16 -0.54 -1.32 0.00 0.00 176.35 175.68 1cye s LYS 7 N 0.80 3.49 -0.14 1.98 1.02 -1.25 -3.32 119.74 122.32 1cye s LYS 7 Ca 0.17 0.18 -0.07 0.00 0.02 0.00 0.00 55.97 56.27 1cye s LYS 7 Cb -0.14 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 1cye s LYS 7 CO 0.05 -1.65 0.10 -0.06 -0.92 0.00 0.00 175.35 172.88 1cye s PHE 8 N 4.81 3.44 -0.36 3.18 0.40 0.66 -2.28 117.98 127.83 1cye s PHE 8 Ca 0.41 0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 57.11 1cye s PHE 8 Cb -0.08 -1.97 0.09 0.00 0.51 0.00 0.00 43.02 41.57 1cye s PHE 8 CO 0.25 0.53 0.10 -1.17 0.70 0.00 0.00 175.22 175.63 1cye s LEU 9 N -0.57 4.68 -0.95 -0.37 0.20 -0.10 -0.16 118.68 121.41 1cye s LEU 9 Ca 0.12 -1.82 -0.23 0.00 0.69 0.00 0.00 54.13 52.89 1cye s LEU 9 Cb -0.12 -1.74 0.06 0.00 -0.43 0.00 0.00 46.19 43.96 1cye s LEU 9 CO 0.02 -0.41 1.36 -0.69 -0.29 0.00 0.00 176.35 176.34 1cye s VAL 10 N 1.11 4.02 -0.69 1.68 1.01 0.26 -0.82 120.40 126.96 1cye s VAL 10 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1cye s VAL 10 Cb -0.21 -4.98 0.17 0.00 0.00 0.00 0.00 36.38 31.36 1cye s VAL 10 CO -0.04 -1.85 0.65 -0.69 0.00 0.00 0.00 175.10 173.17 1cye s VAL 11 N 4.75 5.38 -0.00 2.92 1.01 0.94 -0.79 120.40 134.61 1cye s VAL 11 Ca 0.41 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 60.46 1cye s VAL 11 Cb -0.03 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1cye s VAL 11 CO -0.05 -0.97 -0.06 -1.81 0.00 0.00 0.00 175.10 172.21 1cye s ASP 12 N 2.90 0.70 0.42 3.32 1.01 -0.26 -0.81 116.67 123.95 1cye s ASP 12 Ca 0.11 -0.12 0.18 0.00 0.71 0.00 0.00 52.55 53.43 1cye s ASP 12 Cb -0.19 -0.07 0.95 0.00 1.01 0.00 0.00 42.92 44.62 1cye s ASP 12 CO -0.03 0.06 1.90 -2.24 0.21 0.00 0.00 175.17 175.07 1cye h ASP 13 N 5.94 0.00 -3.32 0.27 2.03 -1.64 -3.38 116.42 116.32 1cye h ASP 13 Ca -0.29 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.37 1cye h ASP 13 Cb 1.19 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.50 1cye h ASP 13 CO 0.50 0.28 -0.64 0.12 -1.03 0.00 0.00 179.24 178.47 1cye s PHE 14 N -4.14 3.09 0.16 4.15 5.36 -1.26 -4.98 117.98 120.35 1cye s PHE 14 Ca -0.02 -0.12 -0.20 0.00 -0.96 0.00 0.00 56.93 55.62 1cye s PHE 14 Cb 0.14 -1.94 0.06 0.00 -0.34 0.00 0.00 43.02 40.93 1cye s PHE 14 CO 0.68 0.11 1.64 0.66 -1.46 0.00 0.00 175.22 176.85 1cye h SER 15 N 6.36 -0.65 -0.12 6.13 4.64 -1.99 0.14 113.55 128.06 1cye h SER 15 Ca -0.36 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1cye h SER 15 Cb 1.19 0.33 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 1cye h SER 15 CO 0.63 -0.23 0.07 0.74 -0.87 0.00 0.00 176.83 177.17 1cye h THR 16 N -0.16 1.05 -0.55 2.95 2.02 -1.97 -1.81 112.91 114.43 1cye h THR 16 Ca 0.16 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1cye h THR 16 Cb 0.41 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1cye h THR 16 CO -0.41 0.04 0.36 -0.03 0.37 0.00 0.00 175.52 175.86 1cye h MET 17 N 0.14 0.72 0.44 6.66 -1.53 -1.75 -2.39 114.93 117.21 1cye h MET 17 Ca 0.04 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1cye h MET 17 Cb 0.01 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 30.87 1cye h MET 17 CO -0.01 0.47 -0.45 -0.09 0.14 0.00 0.00 176.91 176.98 1cye h ARG 18 N 0.74 -0.87 -0.68 0.39 2.43 -0.48 -2.89 114.38 113.02 1cye h ARG 18 Ca 0.20 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1cye h ARG 18 Cb -0.08 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1cye h ARG 18 CO -0.05 -0.58 0.45 0.07 -1.51 0.00 0.00 179.97 178.36 1cye h ARG 19 N -0.90 0.80 -0.12 0.20 0.11 -1.13 -2.09 114.38 111.25 1cye h ARG 19 Ca -0.04 -0.05 0.02 0.00 0.10 0.00 0.00 59.98 60.01 1cye h ARG 19 Cb 0.79 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 31.68 1cye h ARG 19 CO -0.07 0.53 -0.00 0.82 0.10 0.00 0.00 179.97 181.35 1cye h ILE 20 N 0.82 0.92 -0.42 0.08 2.04 -1.24 -1.87 117.51 117.83 1cye h ILE 20 Ca 0.27 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.18 1cye h ILE 20 Cb 0.06 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1cye h ILE 20 CO -0.08 0.01 0.13 0.58 0.00 0.00 0.00 178.15 178.79 1cye h VAL 21 N 0.04 0.84 -0.32 1.67 2.07 -1.19 -0.84 116.25 118.52 1cye h VAL 21 Ca 0.05 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1cye h VAL 21 Cb 0.06 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1cye h VAL 21 CO -0.09 0.05 -0.18 -0.09 0.02 0.00 0.00 177.57 177.28 1cye h ARG 22 N 0.28 -0.13 -0.83 1.57 2.43 -1.27 -1.36 114.38 115.07 1cye h ARG 22 Ca 0.20 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1cye h ARG 22 Cb 0.21 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1cye h ARG 22 CO -0.22 -0.09 0.41 -0.91 -1.51 0.00 0.00 179.97 177.65 1cye h ASN 23 N -0.14 1.08 0.09 -3.80 -0.26 -0.53 -2.04 115.58 109.98 1cye h ASN 23 Ca 0.17 -0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1cye h ASN 23 Cb 0.39 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1cye h ASN 23 CO -0.41 0.91 -0.10 -0.07 -1.06 0.00 0.00 177.43 176.70 1cye h LEU 24 N 1.18 -0.27 -0.53 1.61 3.38 -0.52 -0.88 115.31 119.27 1cye h LEU 24 Ca 0.29 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.36 1cye h LEU 24 Cb 0.11 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1cye h LEU 24 CO -0.04 -0.15 0.20 -0.07 0.09 0.00 0.00 178.44 178.47 1cye h LEU 25 N -0.22 0.21 -0.70 1.67 3.38 -0.99 -1.82 115.31 116.85 1cye h LEU 25 Ca 0.01 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1cye h LEU 25 Cb 0.22 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1cye h LEU 25 CO -0.04 0.14 0.44 0.11 0.09 0.00 0.00 178.44 179.19 1cye h LYS 26 N 0.38 0.85 -0.92 1.13 1.57 -1.04 0.18 116.57 118.71 1cye h LYS 26 Ca 0.26 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1cye h LYS 26 Cb 0.28 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1cye h LYS 26 CO -0.26 0.56 0.61 0.93 -0.57 0.00 0.00 179.45 180.72 1cye h GLU 27 N 0.87 1.13 0.00 3.15 5.08 -0.41 -1.03 114.58 123.37 1cye h GLU 27 Ca 0.28 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1cye h GLU 27 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1cye h GLU 27 CO -0.10 0.75 0.00 -0.07 -1.00 0.00 0.00 179.01 178.59 1cye h LEU 28 N 1.16 0.00 0.00 1.33 3.38 -0.64 -3.47 115.31 117.07 1cye h LEU 28 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1cye h LEU 28 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1cye h LEU 28 CO -0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1cye n GLY 29 N 0.51 1.21 3.42 0.83 0.00 -0.39 -5.08 105.19 105.69 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 2.92 0.04 1.61 0.08 -0.02 -4.69 117.98 115.93 1cye s PHE 30 Ca 0.00 -0.70 -0.25 0.00 0.12 0.00 0.00 56.93 56.10 1cye s PHE 30 Cb 0.00 -3.96 -0.17 0.00 -0.57 0.00 0.00 43.02 38.32 1cye s PHE 30 CO 0.00 -1.31 1.50 -0.91 -0.10 0.00 0.00 175.22 174.40 1cye h ASN 31 N 9.23 -0.13 -2.99 1.36 4.21 -1.69 -3.24 115.58 122.33 1cye h ASN 31 Ca -0.29 -0.17 -0.69 0.00 1.21 0.00 0.00 56.30 56.36 1cye h ASN 31 Cb 1.08 0.03 -0.19 0.00 -1.12 0.00 0.00 38.32 38.13 1cye h ASN 31 CO 1.08 0.10 0.13 0.20 -1.29 0.00 0.00 177.43 177.65 1cye s ASN 32 N -5.25 6.20 -0.12 5.81 0.01 -1.21 -4.99 114.94 115.38 1cye s ASN 32 Ca -0.14 -1.24 -0.01 0.00 -0.71 0.00 0.00 52.86 50.76 1cye s ASN 32 Cb 0.04 -2.31 0.03 0.00 0.41 0.00 0.00 41.25 39.42 1cye s ASN 32 CO 0.64 -1.07 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.42 1cye s VAL 33 N 2.77 0.92 0.22 1.60 1.01 -1.26 -0.25 120.40 125.41 1cye s VAL 33 Ca 0.13 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1cye s VAL 33 Cb -0.22 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1cye s VAL 33 CO 0.08 0.26 0.03 -1.61 0.00 0.00 0.00 175.10 173.87 1cye s GLU 34 N 1.74 2.45 -0.08 2.72 8.01 0.78 -4.98 118.70 129.34 1cye s GLU 34 Ca 0.04 -1.21 0.02 0.00 0.01 0.00 0.00 54.97 53.82 1cye s GLU 34 Cb -0.13 -2.32 0.01 0.00 -4.31 0.00 0.00 34.13 27.38 1cye s GLU 34 CO -0.08 0.41 -0.13 -1.21 0.01 0.00 0.00 175.26 174.26 1cye s GLU 35 N -3.37 1.92 0.20 1.61 2.02 -1.26 -0.58 118.70 119.24 1cye s GLU 35 Ca 0.30 -0.47 0.11 0.00 0.02 0.00 0.00 54.97 54.93 1cye s GLU 35 Cb -0.08 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 1cye s GLU 35 CO 0.20 -0.01 -0.21 0.00 0.02 0.00 0.00 175.26 175.26 1cye s ALA 36 N 0.81 2.63 -0.17 5.21 0.00 0.03 -4.96 121.76 125.30 1cye s ALA 36 Ca -0.11 -1.64 -0.22 0.00 0.00 0.00 0.00 51.96 49.99 1cye s ALA 36 Cb -0.15 -0.39 -0.22 0.00 0.00 0.00 0.00 23.12 22.35 1cye s ALA 36 CO 0.02 0.42 0.41 0.93 0.00 0.00 0.00 175.76 177.53 1cye h GLU 37 N 3.06 0.05 -4.48 0.00 5.08 -1.84 -0.68 114.58 115.76 1cye h GLU 37 Ca -0.46 -0.09 -0.28 0.00 -1.00 0.00 0.00 59.36 57.53 1cye h GLU 37 Cb 1.21 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 1cye h GLU 37 CO 0.50 1.04 -0.46 0.16 -1.00 0.00 0.00 179.01 179.26 1cye s ASP 38 N -6.74 0.64 0.19 1.42 -4.77 -1.26 -2.24 116.67 103.91 1cye s ASP 38 Ca -0.25 -1.44 -0.23 0.00 -3.30 0.00 0.00 52.55 47.33 1cye s ASP 38 Cb 0.04 0.50 0.11 0.00 -1.09 0.00 0.00 42.92 42.47 1cye s ASP 38 CO 0.65 -1.01 1.56 1.23 0.70 0.00 0.00 175.17 178.31 1cye h GLY 39 N 2.37 -0.26 0.59 2.12 0.00 -1.47 -1.71 103.07 104.71 1cye h GLY 39 Ca -0.31 0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.59 1cye h GLY 39 CO 0.44 -0.16 -0.27 -2.08 0.00 0.00 0.00 176.54 174.47 1cye h VAL 40 N -0.12 0.41 -0.60 4.60 2.07 -1.88 -1.96 116.25 118.77 1cye h VAL 40 Ca 0.24 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.85 1cye h VAL 40 Cb 0.56 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1cye h VAL 40 CO -0.81 0.00 0.40 -0.78 0.02 0.00 0.00 177.57 176.40 1cye h ASP 41 N -0.53 0.39 -0.11 0.57 3.58 -1.79 -1.51 116.42 117.02 1cye h ASP 41 Ca 0.01 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1cye h ASP 41 Cb 0.52 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1cye h ASP 41 CO -0.12 0.24 0.01 0.00 -2.88 0.00 0.00 179.24 176.49 1cye h ALA 42 N 1.69 0.15 -0.97 -0.78 0.00 -0.63 -1.58 119.26 117.15 1cye h ALA 42 Ca 0.27 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1cye h ALA 42 Cb 0.50 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1cye h ALA 42 CO -0.08 -0.17 0.62 -0.07 0.00 0.00 0.00 179.25 179.56 1cye h LEU 43 N -0.06 1.01 0.91 0.00 3.38 -0.59 0.33 115.31 120.28 1cye h LEU 43 Ca 0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1cye h LEU 43 Cb 0.33 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1cye h LEU 43 CO 0.00 0.65 -0.48 0.78 0.09 0.00 0.00 178.44 179.49 1cye h ASN 44 N 1.15 -1.17 -0.97 -0.43 4.21 -1.41 -3.25 115.58 113.71 1cye h ASN 44 Ca 0.41 0.05 0.05 0.00 1.21 0.00 0.00 56.30 58.02 1cye h ASN 44 Cb 0.13 0.32 -0.06 0.00 -1.12 0.00 0.00 38.32 37.59 1cye h ASN 44 CO -0.16 -0.79 0.64 0.11 -1.29 0.00 0.00 177.43 175.94 1cye h LYS 45 N -1.28 1.16 -0.96 0.81 1.57 -0.64 -2.64 116.57 114.59 1cye h LYS 45 Ca -0.12 -0.07 0.17 0.00 -1.87 0.00 0.00 60.65 58.75 1cye h LYS 45 Cb 1.00 -0.26 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 1cye h LYS 45 CO 0.18 0.77 0.61 -0.07 -0.57 0.00 0.00 179.45 180.36 1cye h LEU 46 N 1.20 0.73 -2.35 2.94 3.38 -0.42 -1.00 115.31 119.78 1cye h LEU 46 Ca 0.40 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.44 1cye h LEU 46 Cb 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1cye h LEU 46 CO -0.13 0.32 0.03 1.56 0.09 0.00 0.00 178.44 180.31 1cye h GLN 47 N 0.74 0.00 -2.81 1.13 4.20 -1.50 -1.83 115.11 115.04 1cye h GLN 47 Ca 0.51 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.77 1cye h GLN 47 Cb 0.81 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1cye h GLN 47 CO -0.28 0.00 2.33 0.00 -0.67 0.00 0.00 178.83 180.22 1cye n ALA 48 N -2.36 6.44 0.00 3.87 0.00 -0.38 -3.89 120.51 124.19 1cye n ALA 48 Ca -0.02 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.79 1cye n ALA 48 Cb 0.12 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.60 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 3.30 1.57 2.47 0.00 0.00 -1.25 -4.84 105.19 106.45 1cye n GLY 49 Ca 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.72 3.70 -0.02 0.00 -0.69 -4.95 105.19 102.51 1cye n GLY 50 Ca 0.00 0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 1cye n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cye n TYR 51 N -1.76 2.57 0.74 1.61 4.02 -1.25 -4.92 117.16 118.17 1cye n TYR 51 Ca -0.01 0.11 0.01 0.00 -0.01 0.00 0.00 57.90 58.00 1cye n TYR 51 Cb 0.52 -2.63 0.07 0.00 -0.02 0.00 0.00 39.34 37.28 1cye n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cye n GLY 52 N 3.79 1.57 3.61 2.72 0.00 -0.97 -4.68 105.19 111.24 1cye n GLY 52 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.37 -0.43 -0.17 1.61 2.19 -1.03 -4.31 117.98 114.47 1cye s PHE 53 Ca 0.10 0.83 0.01 0.00 0.33 0.00 0.00 56.93 58.20 1cye s PHE 53 Cb 0.07 0.25 0.02 0.00 -1.31 0.00 0.00 43.02 42.06 1cye s PHE 53 CO 0.03 -0.21 -0.17 0.08 1.83 0.00 0.00 175.22 176.78 1cye s VAL 54 N 1.38 1.87 -0.43 3.12 1.01 0.11 -0.92 120.40 126.54 1cye s VAL 54 Ca -0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1cye s VAL 54 Cb -0.03 -1.74 0.10 0.00 0.00 0.00 0.00 36.38 34.71 1cye s VAL 54 CO -0.14 0.46 0.27 -0.63 0.00 0.00 0.00 175.10 175.06 1cye s ILE 55 N 1.35 3.92 -0.14 2.22 1.01 0.00 -0.25 121.20 129.31 1cye s ILE 55 Ca 0.04 -1.74 0.02 0.00 0.00 0.00 0.00 60.65 58.97 1cye s ILE 55 Cb -0.13 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1cye s ILE 55 CO -0.12 -0.65 -0.20 -0.55 0.00 0.00 0.00 174.94 173.42 1cye s SER 56 N 2.24 3.26 0.10 3.58 0.15 0.45 -0.04 113.70 123.43 1cye s SER 56 Ca 0.05 -0.56 -0.31 0.00 0.70 0.00 0.00 55.95 55.83 1cye s SER 56 Cb -0.24 -1.47 -0.08 0.00 -1.71 0.00 0.00 66.02 62.52 1cye s SER 56 CO -0.01 0.09 1.49 -0.62 1.20 0.00 0.00 173.24 175.39 1cye s ASP 57 N 0.74 6.73 0.15 5.45 -1.08 0.01 -0.09 116.67 128.58 1cye s ASP 57 Ca -0.08 2.39 -0.19 0.00 -0.52 0.00 0.00 52.55 54.15 1cye s ASP 57 Cb -0.16 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.76 1cye s ASP 57 CO 0.00 -0.75 1.68 -0.25 0.52 0.00 0.00 175.17 176.37 1cye h TRP 58 N 7.28 -0.18 -2.53 -5.34 2.91 -0.88 -2.51 115.95 114.70 1cye h TRP 58 Ca -0.42 0.03 -0.66 0.00 1.13 0.00 0.00 58.89 58.97 1cye h TRP 58 Cb 1.20 0.13 -0.16 0.00 -0.51 0.00 0.00 29.16 29.81 1cye h TRP 58 CO 0.70 -0.14 0.66 0.54 -1.03 0.00 0.00 178.44 179.17 1cye s ASN 59 N -5.20 6.40 -0.03 2.65 4.22 -1.26 -0.96 114.94 120.75 1cye s ASN 59 Ca -0.14 -1.54 0.01 0.00 -2.14 0.00 0.00 52.86 49.06 1cye s ASN 59 Cb 0.12 -2.40 0.02 0.00 1.28 0.00 0.00 41.25 40.27 1cye s ASN 59 CO 0.70 -1.24 -0.04 -0.04 -2.04 0.00 0.00 177.10 174.43 1cye s MET 60 N 3.31 0.72 0.33 3.55 -1.94 -1.25 -4.33 119.30 119.70 1cye s MET 60 Ca 0.27 -0.11 -0.28 0.00 -1.71 0.00 0.00 55.69 53.85 1cye s MET 60 Cb -0.11 -0.74 -0.12 0.00 2.01 0.00 0.00 34.83 35.87 1cye s MET 60 CO 0.00 -0.04 1.36 -2.30 -0.01 0.00 0.00 175.02 174.03 1cye n PRO 61 N 3.83 2.26 0.00 2.03 -0.02 -1.26 -2.93 135.00 138.92 1cye n PRO 61 Ca -0.24 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1cye n PRO 61 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1cye n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cye n ASN 62 N 0.94 0.00 -4.04 2.55 4.13 -1.26 -4.45 115.26 113.13 1cye n ASN 62 Ca 0.05 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.97 1cye n ASN 62 Cb 0.36 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.48 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1cye s MET 63 N 0.00 2.21 1.11 3.52 1.75 -1.26 -5.05 119.30 121.58 1cye s MET 63 Ca 0.00 -2.43 -0.12 0.00 -1.25 0.00 0.00 55.69 51.88 1cye s MET 63 Cb 0.00 -3.53 0.25 0.00 2.84 0.00 0.00 34.83 34.40 1cye s MET 63 CO 0.00 -1.12 1.05 0.16 -0.65 0.00 0.00 175.02 174.46 1cye s ASP 64 N 0.48 1.45 0.16 1.11 1.47 -1.15 -1.45 116.67 118.75 1cye s ASP 64 Ca 0.16 1.58 -0.25 0.00 1.18 0.00 0.00 52.55 55.22 1cye s ASP 64 Cb -0.22 -2.30 0.03 0.00 -0.34 0.00 0.00 42.92 40.09 1cye s ASP 64 CO -0.03 -3.92 1.59 1.23 0.68 0.00 0.00 175.17 174.73 1cye h GLY 65 N -2.43 -0.38 1.13 2.12 0.00 -0.57 -0.19 103.07 102.75 1cye h GLY 65 Ca -0.58 0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1cye h GLY 65 CO 0.50 -0.20 0.55 -2.00 0.00 0.00 0.00 176.54 175.39 1cye h LEU 66 N -0.30 0.92 -0.27 3.11 5.85 -1.86 -0.39 115.31 122.37 1cye h LEU 66 Ca 0.15 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.66 1cye h LEU 66 Cb 0.56 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1cye h LEU 66 CO -0.53 0.65 -0.58 -0.08 -0.34 0.00 0.00 178.44 177.57 1cye h GLU 67 N 1.08 0.87 -0.95 1.25 4.81 -1.57 -2.98 114.58 117.10 1cye h GLU 67 Ca 0.32 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1cye h GLU 67 Cb -0.05 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1cye h GLU 67 CO -0.08 1.21 0.60 1.25 -0.73 0.00 0.00 179.01 181.26 1cye h LEU 68 N 0.66 1.11 -0.46 1.64 5.85 -0.26 -1.87 115.31 121.98 1cye h LEU 68 Ca 0.00 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.77 1cye h LEU 68 Cb 1.20 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 1cye h LEU 68 CO 0.13 0.83 -0.10 0.25 -0.34 0.00 0.00 178.44 179.20 1cye h LEU 69 N 1.29 -0.40 -0.46 2.25 6.46 -1.02 -1.74 115.31 121.69 1cye h LEU 69 Ca 0.34 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 58.23 1cye h LEU 69 Cb -0.11 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1cye h LEU 69 CO -0.07 -0.14 0.25 0.11 -0.62 0.00 0.00 178.44 177.97 1cye h LYS 70 N 0.01 0.64 0.00 1.25 1.57 -1.21 -0.06 116.57 118.76 1cye h LYS 70 Ca 0.22 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1cye h LYS 70 Cb 0.34 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1cye h LYS 70 CO -0.46 0.50 -0.04 1.79 -0.57 0.00 0.00 179.45 180.67 1cye h THR 71 N 0.60 0.78 0.00 -0.16 1.35 -0.65 0.12 112.91 114.95 1cye h THR 71 Ca 0.16 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1cye h THR 71 Cb 0.05 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1cye h THR 71 CO -0.03 0.04 -0.05 0.40 -0.25 0.00 0.00 175.52 175.63 1cye h ILE 72 N 0.00 0.54 -0.83 6.82 2.04 -0.62 -3.24 117.51 122.22 1cye h ILE 72 Ca -0.00 -1.41 0.15 0.00 1.00 0.00 0.00 64.86 64.59 1cye h ILE 72 Cb 0.08 1.03 -0.10 0.00 -0.74 0.00 0.00 36.82 37.10 1cye h ILE 72 CO 0.01 0.18 0.41 0.03 0.00 0.00 0.00 178.15 178.78 1cye h ARG 73 N -1.00 0.56 0.00 2.37 2.47 -0.68 -0.78 114.38 117.33 1cye h ARG 73 Ca -0.01 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 1cye h ARG 73 Cb 0.34 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1cye h ARG 73 CO -0.00 0.37 -0.32 0.00 0.56 0.00 0.00 179.97 180.57 1cye h ALA 74 N 1.56 0.84 -1.65 0.04 0.00 -0.95 -3.40 119.26 115.70 1cye h ALA 74 Ca 0.46 -0.29 -0.64 0.00 0.00 0.00 0.00 54.91 54.44 1cye h ALA 74 Cb 0.67 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1cye h ALA 74 CO -0.38 0.40 0.81 0.34 0.00 0.00 0.00 179.25 180.42 1cye s ASP 75 N -6.33 6.36 0.00 0.00 -1.08 -0.32 -4.96 116.67 110.35 1cye s ASP 75 Ca 0.04 -1.35 0.00 0.00 -0.52 0.00 0.00 52.55 50.72 1cye s ASP 75 Cb 0.08 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1cye s ASP 75 CO 0.70 -1.36 0.00 0.61 0.52 0.00 0.00 175.17 175.63 1cye n GLY 76 N 5.59 0.00 0.38 2.66 0.00 -1.26 -0.06 105.19 112.49 1cye n GLY 76 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.34 0.00 4.61 0.00 -1.93 -2.87 119.26 120.41 1cye h ALA 77 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1cye h ALA 77 Cb 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1cye h ALA 77 CO 0.00 0.57 -0.21 0.52 0.00 0.00 0.00 179.25 180.13 1cye h MET 78 N 1.28 0.00 -0.57 0.00 2.86 -0.72 -3.23 114.93 114.55 1cye h MET 78 Ca 0.39 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.20 1cye h MET 78 Cb -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1cye h MET 78 CO -0.12 0.21 0.58 0.77 1.06 0.00 0.00 176.91 179.42 1cye h SER 79 N 0.00 0.00 0.31 1.22 0.02 -1.03 0.33 113.55 114.40 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 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1cye h SER 79 CO 0.03 0.00 -0.43 0.00 -1.14 0.00 0.00 176.83 175.29 1cye n ALA 80 N -2.37 3.43 -2.64 3.77 0.00 -1.22 -4.77 120.51 116.70 1cye n ALA 80 Ca 0.11 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1cye n ALA 80 Cb 0.80 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.74 4.08 0.30 0.00 1.43 0.10 -5.01 118.68 116.84 1cye s LEU 81 Ca 0.17 1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.08 1cye s LEU 81 Cb 0.18 -3.30 -0.13 0.00 0.03 0.00 0.00 46.19 42.97 1cye s LEU 81 CO 0.62 -0.59 1.27 -0.81 0.23 0.00 0.00 176.35 177.07 1cye n PRO 82 N 6.17 1.93 -4.09 1.29 -0.04 -1.26 -4.81 135.00 134.20 1cye n PRO 82 Ca 0.08 0.68 -0.32 0.00 -0.04 0.00 0.00 63.50 63.89 1cye n PRO 82 Cb 0.47 -2.24 -0.15 0.00 -0.04 0.00 0.00 33.50 31.54 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 -0.78 2.09 -0.36 0.52 1.01 -1.26 -0.71 120.40 120.91 1cye s VAL 83 Ca 0.60 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1cye s VAL 83 Cb -0.62 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 33.72 1cye s VAL 83 CO 0.58 0.22 0.16 -0.22 0.00 0.00 0.00 175.10 175.84 1cye s LEU 84 N 1.20 4.52 -0.42 3.92 2.96 0.66 -1.08 118.68 130.43 1cye s LEU 84 Ca -0.03 -1.04 -0.28 0.00 -0.22 0.00 0.00 54.13 52.57 1cye s LEU 84 Cb -0.17 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1cye s LEU 84 CO -0.09 -0.35 1.07 -0.04 -1.32 0.00 0.00 176.35 175.62 1cye s MET 85 N 1.49 3.81 -0.56 1.98 -1.94 -0.16 -0.42 119.30 123.51 1cye s MET 85 Ca 0.01 0.65 -0.19 0.00 -1.71 0.00 0.00 55.69 54.45 1cye s MET 85 Cb -0.19 -3.85 0.08 0.00 2.01 0.00 0.00 34.83 32.87 1cye s MET 85 CO 0.05 -1.18 0.70 0.08 -0.01 0.00 0.00 175.02 174.65 1cye s VAL 86 N 4.04 4.79 -0.08 -6.03 1.01 0.88 -0.28 120.40 124.73 1cye s VAL 86 Ca 0.45 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1cye s VAL 86 Cb -0.09 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1cye s VAL 86 CO 0.25 -1.00 -0.06 0.28 0.00 0.00 0.00 175.10 174.57 1cye s THR 87 N 2.82 3.74 0.51 3.92 -1.32 -0.37 -0.12 115.64 124.82 1cye s THR 87 Ca 0.15 -0.46 0.33 0.00 -1.21 0.00 0.00 61.69 60.50 1cye s THR 87 Cb -0.21 -2.54 0.52 0.00 -1.51 0.00 0.00 72.50 68.76 1cye s THR 87 CO 0.10 0.59 1.79 0.00 -2.21 0.00 0.00 174.62 174.88 1cye h ALA 88 N 5.44 2.95 -2.18 11.08 0.00 -1.87 -0.48 119.26 134.21 1cye h ALA 88 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1cye h ALA 88 Cb 1.18 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.87 1cye h ALA 88 CO 0.54 -1.32 0.26 -2.00 0.00 0.00 0.00 179.25 176.73 1cye s GLU 89 N -5.06 1.04 -1.21 0.00 2.56 -1.26 -4.53 118.70 110.24 1cye s GLU 89 Ca -0.06 0.06 -0.20 0.00 0.00 0.00 0.00 54.97 54.77 1cye s GLU 89 Cb 0.24 0.49 0.03 0.00 2.00 0.00 0.00 34.13 36.88 1cye s GLU 89 CO 0.81 -0.36 1.74 0.00 -0.56 0.00 0.00 175.26 176.89 1cye s ALA 90 N -1.84 2.80 -0.26 6.30 0.00 -1.26 -4.93 121.76 122.56 1cye s ALA 90 Ca -0.06 -2.57 -0.10 0.00 0.00 0.00 0.00 51.96 49.23 1cye s ALA 90 Cb -0.00 -4.63 -0.05 0.00 0.00 0.00 0.00 23.12 18.44 1cye s ALA 90 CO 0.03 -3.85 0.16 0.21 0.00 0.00 0.00 175.76 172.31 1cye s LYS 91 N 4.99 3.94 0.22 0.00 2.20 -1.26 -5.03 119.74 124.81 1cye s LYS 91 Ca 0.57 -0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.71 1cye s LYS 91 Cb 0.02 -3.57 0.27 0.00 -1.51 0.00 0.00 37.83 33.04 1cye s LYS 91 CO 0.06 -0.11 1.44 1.17 -0.36 0.00 0.00 175.35 177.54 1cye n LYS 92 N 4.82 -0.18 0.00 4.03 4.81 -1.26 -1.26 118.16 129.12 1cye n LYS 92 Ca -0.15 1.43 -0.10 0.00 -0.87 0.00 0.00 58.31 58.62 1cye n LYS 92 Cb 0.52 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.42 1cye n LYS 92 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1cye h GLU 93 N 0.00 -0.29 -0.21 1.64 4.22 -1.99 -0.45 114.58 117.50 1cye h GLU 93 Ca 0.35 0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.85 1cye h GLU 93 Cb 0.58 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1cye h GLU 93 CO -0.93 -0.19 0.00 -0.91 -2.18 0.00 0.00 179.01 174.81 1cye h ASN 94 N -0.30 -0.07 -0.09 1.04 4.21 -1.58 -1.65 115.58 117.14 1cye h ASN 94 Ca 0.10 0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.69 1cye h ASN 94 Cb 0.44 0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.68 1cye h ASN 94 CO -0.29 -0.01 -0.15 0.40 -1.29 0.00 0.00 177.43 176.09 1cye h ILE 95 N 0.07 0.62 0.42 2.81 2.04 -0.38 -0.11 117.51 122.98 1cye h ILE 95 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 1cye h ILE 95 Cb 0.12 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1cye h ILE 95 CO -0.17 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 178.13 1cye h ILE 96 N -0.20 0.49 -0.52 -0.67 1.08 -0.95 -2.19 117.51 114.55 1cye h ILE 96 Ca 0.08 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.64 1cye h ILE 96 Cb 0.31 0.49 -0.07 0.00 -3.07 0.00 0.00 36.82 34.48 1cye h ILE 96 CO -0.21 0.00 0.13 0.00 -0.69 0.00 0.00 178.15 177.38 1cye h ALA 97 N -0.09 0.61 0.00 1.87 0.00 -1.04 -1.37 119.26 119.25 1cye h ALA 97 Ca -0.05 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1cye h ALA 97 Cb 0.52 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1cye h ALA 97 CO 0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 179.25 178.91 1cye h ALA 98 N 1.39 -0.13 -0.21 0.00 0.00 -0.84 -1.92 119.26 117.55 1cye h ALA 98 Ca 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1cye h ALA 98 Cb 0.34 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1cye h ALA 98 CO -0.32 -0.61 0.12 0.00 0.00 0.00 0.00 179.25 178.44 1cye h ALA 99 N 0.76 0.27 -0.98 0.00 0.00 -0.84 -1.56 119.26 116.91 1cye h ALA 99 Ca 0.04 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1cye h ALA 99 Cb 0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1cye h ALA 99 CO -0.12 -0.22 0.62 1.96 0.00 0.00 0.00 179.25 181.50 1cye h GLN 100 N 0.25 1.04 0.00 0.00 4.20 -1.00 -1.99 115.11 117.61 1cye h GLN 100 Ca 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1cye h GLN 100 Cb 0.04 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1cye h GLN 100 CO -0.01 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 178.84 1cye n ALA 101 N -2.36 2.18 0.00 3.87 0.00 -0.74 -4.94 120.51 118.52 1cye n ALA 101 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1cye n ALA 101 Cb 0.24 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.10 1.15 3.68 0.00 0.00 -0.75 -4.70 105.19 105.67 1cye n GLY 102 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.65 -0.15 4.61 0.00 -0.60 -4.74 121.76 122.53 1cye s ALA 103 Ca 0.00 1.12 0.29 0.00 0.00 0.00 0.00 51.96 53.38 1cye s ALA 103 Cb 0.00 -3.72 1.22 0.00 0.00 0.00 0.00 23.12 20.62 1cye s ALA 103 CO 0.00 -1.23 1.87 0.66 0.00 0.00 0.00 175.76 177.06 1cye h SER 104 N 8.90 0.00 0.00 0.00 4.64 -1.44 -3.41 113.55 122.24 1cye h SER 104 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1cye h SER 104 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1cye h SER 104 CO 0.94 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 1cye n GLY 105 N -0.02 -0.10 3.01 -0.77 0.00 -1.10 -4.76 105.19 101.45 1cye n GLY 105 Ca 0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 1cye n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cye s TYR 106 N -2.00 -0.19 -0.13 1.61 1.13 -1.26 -0.99 117.35 115.52 1cye s TYR 106 Ca 0.00 0.47 0.02 0.00 -1.41 0.00 0.00 57.07 56.15 1cye s TYR 106 Cb 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1cye s TYR 106 CO 0.00 -0.12 -0.19 0.54 -2.51 0.00 0.00 175.55 173.27 1cye s VAL 107 N 0.46 2.39 -0.36 -3.49 0.11 0.61 -4.91 120.40 115.21 1cye s VAL 107 Ca -0.03 -0.88 -0.29 0.00 -2.93 0.00 0.00 61.98 57.85 1cye s VAL 107 Cb -0.05 -1.97 0.02 0.00 -1.53 0.00 0.00 36.38 32.85 1cye s VAL 107 CO -0.02 0.54 1.08 -0.69 -3.33 0.00 0.00 175.10 172.67 1cye s VAL 108 N 0.65 4.44 -0.07 2.04 1.01 -1.26 -1.24 120.40 125.97 1cye s VAL 108 Ca -0.10 1.56 -0.19 0.00 0.00 0.00 0.00 61.98 63.25 1cye s VAL 108 Cb -0.16 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 1cye s VAL 108 CO 0.02 -0.62 0.54 -1.59 0.00 0.00 0.00 175.10 173.45 1cye s LYS 109 N 3.84 4.31 0.14 2.72 -2.85 -0.19 -2.56 119.74 125.16 1cye s LYS 109 Ca 0.45 0.59 -0.30 0.00 -1.00 0.00 0.00 55.97 55.71 1cye s LYS 109 Cb -0.11 -3.39 -0.07 0.00 -2.06 0.00 0.00 37.83 32.19 1cye s LYS 109 CO 0.20 0.25 1.24 -1.25 0.10 0.00 0.00 175.35 175.89 1cye s PRO 110 N 0.27 4.44 0.12 1.78 0.04 -1.26 -4.32 135.00 136.07 1cye s PRO 110 Ca 0.29 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.31 1cye s PRO 110 Cb -0.16 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1cye s PRO 110 CO 0.14 -0.21 -0.20 -0.59 0.04 0.00 0.00 177.00 176.18 1cye s PHE 111 N 0.44 1.83 0.45 0.56 -0.71 -1.06 -5.15 117.98 114.33 1cye s PHE 111 Ca 0.57 -0.43 0.08 0.00 -1.04 0.00 0.00 56.93 56.11 1cye s PHE 111 Cb -0.33 -0.97 0.01 0.00 -1.21 0.00 0.00 43.02 40.52 1cye s PHE 111 CO 0.34 0.25 0.54 0.95 -1.34 0.00 0.00 175.22 175.96 1cye s THR 112 N -1.43 2.71 0.29 -4.49 -4.23 -1.26 -4.93 115.64 102.29 1cye s THR 112 Ca 0.10 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1cye s THR 112 Cb -0.09 -2.84 0.29 0.00 1.34 0.00 0.00 72.50 71.20 1cye s THR 112 CO 0.05 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.97 1cye h ALA 113 N 0.70 1.53 -0.32 3.99 0.00 -1.99 -0.22 119.26 122.95 1cye h ALA 113 Ca -0.39 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1cye h ALA 113 Cb 1.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1cye h ALA 113 CO 0.49 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.91 1cye h ALA 114 N 1.54 0.43 -0.07 0.00 0.00 -1.96 0.83 119.26 120.03 1cye h ALA 114 Ca 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1cye h ALA 114 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1cye h ALA 114 CO -0.26 0.23 0.04 1.15 0.00 0.00 0.00 179.25 180.42 1cye h THR 115 N 0.37 1.02 -0.16 0.00 2.02 -1.74 -0.80 112.91 113.63 1cye h THR 115 Ca 0.08 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.25 1cye h THR 115 Cb 0.52 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1cye h THR 115 CO 0.03 0.02 -0.07 0.25 0.37 0.00 0.00 175.52 176.12 1cye h LEU 116 N 0.09 -0.23 -0.44 2.58 5.85 -0.87 -2.61 115.31 119.67 1cye h LEU 116 Ca 0.02 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1cye h LEU 116 Cb -0.00 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1cye h LEU 116 CO -0.01 -0.09 0.17 -0.08 -0.34 0.00 0.00 178.44 178.09 1cye h GLU 117 N -0.05 0.34 -0.73 1.25 4.81 -0.45 -1.81 114.58 117.95 1cye h GLU 117 Ca 0.08 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.41 1cye h GLU 117 Cb 0.18 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.40 1cye h GLU 117 CO -0.19 0.23 0.34 0.93 -0.73 0.00 0.00 179.01 179.59 1cye h GLU 118 N 0.35 0.53 -0.10 1.92 4.39 -0.77 0.23 114.58 121.14 1cye h GLU 118 Ca 0.20 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1cye h GLU 118 Cb 0.17 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1cye h GLU 118 CO -0.19 0.35 0.01 0.87 -1.16 0.00 0.00 179.01 178.89 1cye h LYS 119 N 0.54 0.17 -0.26 2.33 1.79 -1.29 -2.82 116.57 117.04 1cye h LYS 119 Ca 0.38 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.83 1cye h LYS 119 Cb 0.47 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 1cye h LYS 119 CO -0.32 0.41 0.03 -0.07 -1.08 0.00 0.00 179.45 178.42 1cye h LEU 120 N -0.09 -0.03 -0.33 2.94 3.38 -0.52 -2.82 115.31 117.84 1cye h LEU 120 Ca 0.03 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1cye h LEU 120 Cb 0.33 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1cye h LEU 120 CO 0.00 0.02 -0.26 0.78 0.09 0.00 0.00 178.44 179.07 1cye h ASN 121 N 0.12 -0.85 -0.58 -0.43 4.21 -0.49 -1.42 115.58 116.14 1cye h ASN 121 Ca 0.12 0.16 0.09 0.00 1.21 0.00 0.00 56.30 57.88 1cye h ASN 121 Cb 0.13 0.41 -0.07 0.00 -1.12 0.00 0.00 38.32 37.68 1cye h ASN 121 CO -0.17 -0.28 0.22 0.50 -1.29 0.00 0.00 177.43 176.40 1cye h LYS 122 N -0.22 0.39 -0.76 0.81 3.64 -1.26 -1.82 116.57 117.34 1cye h LYS 122 Ca 0.16 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1cye h LYS 122 Cb 0.48 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1cye h LYS 122 CO -0.46 0.25 0.26 0.82 -2.27 0.00 0.00 179.45 178.05 1cye h ILE 123 N 0.40 1.26 0.00 2.00 2.04 -1.13 -2.51 117.51 119.57 1cye h ILE 123 Ca 0.29 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1cye h ILE 123 Cb 0.35 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1cye h ILE 123 CO -0.29 0.35 -0.04 -0.26 0.00 0.00 0.00 178.15 177.91 1cye h PHE 124 N 1.12 0.00 -0.59 1.37 0.04 -0.41 -1.91 116.94 116.57 1cye h PHE 124 Ca 0.25 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.06 1cye h PHE 124 Cb 0.28 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 1cye h PHE 124 CO 0.02 0.04 0.34 1.49 -0.60 0.00 0.00 178.31 179.60 1cye h GLU 125 N 0.00 0.64 -0.29 1.51 4.81 -1.32 0.52 114.58 120.45 1cye h GLU 125 Ca -0.00 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1cye h GLU 125 Cb 0.09 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1cye h GLU 125 CO 0.00 0.42 -0.30 0.87 -0.73 0.00 0.00 179.01 179.28 1cye h LYS 126 N 0.66 0.59 -1.80 1.92 1.57 -1.49 -3.12 116.57 114.90 1cye h LYS 126 Ca 0.25 -0.25 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1cye h LYS 126 Cb 0.08 -0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.26 1cye h LYS 126 CO -0.13 0.82 0.22 1.28 -0.57 0.00 0.00 179.45 181.07 1cye n LEU 127 N -4.09 6.10 -0.80 2.94 4.77 -0.53 -4.75 117.00 120.65 1cye n LEU 127 Ca -0.01 -3.35 -0.10 0.00 -0.03 0.00 0.00 56.01 52.52 1cye n LEU 127 Cb 0.45 -1.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 1cye n LEU 127 CO 0.44 1.40 -0.10 0.61 -1.33 0.00 0.00 177.39 178.41 1cye n GLY 128 N 1.00 1.02 0.15 -0.72 0.00 -1.18 -4.81 105.19 100.65 1cye n GLY 128 Ca 0.32 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.33 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35