#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 4.18 -4.01 2.89 3.41 -1.26 -4.89 113.62 113.94 1cye n SER 2 Ca 0.00 -2.85 -0.24 0.00 -0.26 0.00 0.00 58.87 55.52 1cye n SER 2 Cb 0.00 -1.66 -0.16 0.00 -0.26 0.00 0.00 64.21 62.12 1cye n SER 2 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cye s ASP 3 N 4.02 1.68 0.53 4.04 -1.08 -1.26 -5.04 116.67 119.56 1cye s ASP 3 Ca 0.52 -0.28 0.25 0.00 -0.52 0.00 0.00 52.55 52.53 1cye s ASP 3 Cb 0.09 -0.76 1.38 0.00 -1.46 0.00 0.00 42.92 42.17 1cye s ASP 3 CO 0.02 0.03 1.99 0.50 0.52 0.00 0.00 175.17 178.23 1cye h LYS 4 N 6.94 0.02 -2.52 4.34 1.63 -1.93 -2.76 116.57 122.28 1cye h LYS 4 Ca -0.32 -0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 58.86 1cye h LYS 4 Cb 1.18 -0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.40 1cye h LYS 4 CO 0.48 0.01 -0.51 0.39 -3.45 0.00 0.00 179.45 176.37 1cye n GLU 5 N -4.38 2.43 -3.86 1.90 -0.58 -1.26 -3.29 120.64 111.59 1cye n GLU 5 Ca 0.10 -4.62 -0.35 0.00 -0.42 0.00 0.00 57.16 51.88 1cye n GLU 5 Cb 0.62 -2.29 -0.09 0.00 -0.57 0.00 0.00 31.44 29.11 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1cye s LEU 6 N -2.17 3.95 -0.32 -4.62 2.96 -1.04 -4.98 118.68 112.45 1cye s LEU 6 Ca 0.35 0.11 -0.29 0.00 -0.22 0.00 0.00 54.13 54.08 1cye s LEU 6 Cb 0.08 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 1cye s LEU 6 CO -0.06 0.15 1.39 -0.54 -1.32 0.00 0.00 176.35 175.97 1cye s LYS 7 N 0.55 3.78 -0.04 1.98 1.02 -1.25 -4.28 119.74 121.50 1cye s LYS 7 Ca 0.05 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.26 1cye s LYS 7 Cb -0.12 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.20 1cye s LYS 7 CO 0.01 -1.30 -0.01 -0.06 -0.92 0.00 0.00 175.35 173.07 1cye s PHE 8 N 4.87 3.09 -0.30 3.18 0.08 -0.01 -1.17 117.98 127.71 1cye s PHE 8 Ca 0.60 0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.79 1cye s PHE 8 Cb -0.17 -1.72 0.08 0.00 -0.57 0.00 0.00 43.02 40.65 1cye s PHE 8 CO 0.27 0.45 0.01 -1.17 -0.10 0.00 0.00 175.22 174.68 1cye s LEU 9 N -1.24 3.66 -0.70 -0.37 1.98 -0.65 -0.19 118.68 121.17 1cye s LEU 9 Ca 0.17 -1.74 -0.27 0.00 -2.89 0.00 0.00 54.13 49.40 1cye s LEU 9 Cb -0.11 -1.39 0.04 0.00 0.66 0.00 0.00 46.19 45.38 1cye s LEU 9 CO 0.06 -0.32 1.21 -0.69 -1.89 0.00 0.00 176.35 174.72 1cye s VAL 10 N 1.16 3.87 -0.69 1.68 1.01 0.06 -1.48 120.40 126.00 1cye s VAL 10 Ca 0.04 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 1cye s VAL 10 Cb -0.19 -4.85 0.18 0.00 0.00 0.00 0.00 36.38 31.52 1cye s VAL 10 CO -0.10 -1.70 0.63 -0.69 0.00 0.00 0.00 175.10 173.24 1cye s VAL 11 N 5.34 5.37 -0.03 2.92 1.01 0.82 -0.34 120.40 135.48 1cye s VAL 11 Ca 0.34 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.27 1cye s VAL 11 Cb -0.09 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 31.94 1cye s VAL 11 CO 0.16 -0.95 0.04 -0.62 0.00 0.00 0.00 175.10 173.73 1cye s ASP 12 N 2.77 0.73 0.46 3.32 -1.08 -0.41 -1.04 116.67 121.42 1cye s ASP 12 Ca 0.11 0.04 0.14 0.00 -0.52 0.00 0.00 52.55 52.31 1cye s ASP 12 Cb -0.19 -0.16 1.06 0.00 -1.46 0.00 0.00 42.92 42.17 1cye s ASP 12 CO -0.03 -0.18 2.05 -2.24 0.52 0.00 0.00 175.17 175.28 1cye h ASP 13 N 7.88 0.08 -3.67 -0.34 2.03 -1.60 -3.40 116.42 117.39 1cye h ASP 13 Ca -0.28 -0.01 -0.62 0.00 -0.73 0.00 0.00 57.03 55.39 1cye h ASP 13 Cb 1.12 -0.02 -0.14 0.00 -0.83 0.00 0.00 39.33 39.46 1cye h ASP 13 CO 0.32 0.15 -0.28 0.12 -1.03 0.00 0.00 179.24 178.52 1cye s PHE 14 N -4.91 3.28 0.21 4.15 2.19 -1.26 -4.99 117.98 116.64 1cye s PHE 14 Ca -0.05 0.41 -0.14 0.00 0.33 0.00 0.00 56.93 57.48 1cye s PHE 14 Cb 0.16 -2.52 0.22 0.00 -1.31 0.00 0.00 43.02 39.58 1cye s PHE 14 CO 0.69 -0.15 1.62 0.66 1.83 0.00 0.00 175.22 179.87 1cye h SER 15 N 7.96 -0.68 0.52 6.13 4.64 -2.00 0.10 113.55 130.23 1cye h SER 15 Ca -0.33 0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 1cye h SER 15 Cb 1.16 0.42 0.01 0.00 -0.31 0.00 0.00 62.40 63.68 1cye h SER 15 CO 0.65 -0.23 -0.25 0.74 -0.87 0.00 0.00 176.83 176.87 1cye h THR 16 N -0.03 0.48 -0.49 2.95 2.02 -1.96 -1.90 112.91 113.99 1cye h THR 16 Ca 0.30 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1cye h THR 16 Cb 0.48 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1cye h THR 16 CO -0.66 0.01 0.16 -0.03 0.37 0.00 0.00 175.52 175.37 1cye h MET 17 N -0.73 0.71 -0.30 6.66 4.05 -1.78 -2.20 114.93 121.34 1cye h MET 17 Ca -0.07 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.26 1cye h MET 17 Cb 0.55 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1cye h MET 17 CO 0.12 0.61 0.15 -0.09 0.23 0.00 0.00 176.91 177.92 1cye h ARG 18 N 0.70 0.30 -0.43 0.39 2.43 -0.63 -2.25 114.38 114.89 1cye h ARG 18 Ca 0.16 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1cye h ARG 18 Cb 0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1cye h ARG 18 CO -0.01 0.20 0.27 -0.09 -1.51 0.00 0.00 179.97 178.82 1cye h ARG 19 N 0.31 0.58 -0.04 0.20 9.65 -0.90 -1.84 114.38 122.35 1cye h ARG 19 Ca 0.12 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 1cye h ARG 19 Cb 0.04 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 1cye h ARG 19 CO -0.09 0.42 -0.29 0.82 2.80 0.00 0.00 179.97 183.63 1cye h ILE 20 N 0.57 0.34 -0.10 1.20 1.08 -1.01 0.54 117.51 120.13 1cye h ILE 20 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1cye h ILE 20 Cb -0.01 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 1cye h ILE 20 CO -0.03 0.00 0.06 0.58 -0.69 0.00 0.00 178.15 178.07 1cye h VAL 21 N -0.42 1.02 -0.54 1.67 2.07 -1.10 0.47 116.25 119.43 1cye h VAL 21 Ca 0.07 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1cye h VAL 21 Cb 0.53 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1cye h VAL 21 CO -0.28 0.02 0.19 -0.09 0.02 0.00 0.00 177.57 177.44 1cye h ARG 22 N 0.13 0.36 -0.19 1.57 1.12 -0.79 -1.41 114.38 115.17 1cye h ARG 22 Ca 0.04 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 1cye h ARG 22 Cb -0.01 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.86 1cye h ARG 22 CO -0.01 0.24 0.06 -0.91 -3.11 0.00 0.00 179.97 176.24 1cye h ASN 23 N 0.37 0.28 -0.10 -3.80 -0.26 -0.36 -2.40 115.58 109.31 1cye h ASN 23 Ca 0.26 -0.19 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1cye h ASN 23 Cb 0.30 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.43 1cye h ASN 23 CO -0.27 0.40 -0.25 -0.07 -1.06 0.00 0.00 177.43 176.17 1cye h LEU 24 N 0.14 -0.77 -0.38 1.61 3.38 -0.37 -0.47 115.31 118.45 1cye h LEU 24 Ca 0.06 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1cye h LEU 24 Cb 0.21 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1cye h LEU 24 CO -0.00 -0.31 0.08 -0.07 0.09 0.00 0.00 178.44 178.24 1cye h LEU 25 N -0.33 0.03 -0.48 1.67 3.38 -1.23 -1.62 115.31 116.72 1cye h LEU 25 Ca 0.09 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1cye h LEU 25 Cb 0.47 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1cye h LEU 25 CO -0.29 0.05 0.19 0.50 0.09 0.00 0.00 178.44 178.98 1cye h LYS 26 N 0.21 0.36 -0.09 1.13 3.64 -1.06 -1.60 116.57 119.16 1cye h LYS 26 Ca 0.18 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1cye h LYS 26 Cb 0.20 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1cye h LYS 26 CO -0.23 0.24 -0.06 0.93 -2.27 0.00 0.00 179.45 178.06 1cye h GLU 27 N 0.37 0.14 0.00 1.90 5.08 -0.55 -1.38 114.58 120.14 1cye h GLU 27 Ca 0.23 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1cye h GLU 27 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1cye h GLU 27 CO -0.22 0.21 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 1cye n LEU 28 N -4.39 0.01 0.00 1.33 4.77 -0.66 -4.91 117.00 113.15 1cye n LEU 28 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1cye n LEU 28 Cb 0.19 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1cye n LEU 28 CO 0.36 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1cye n GLY 29 N 1.07 1.52 3.51 -0.72 0.00 -0.52 -5.06 105.19 104.99 1cye n GLY 29 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.07 3.16 -0.17 1.61 0.08 -0.68 -4.67 117.98 115.23 1cye s PHE 30 Ca 0.00 -1.83 0.01 0.00 0.12 0.00 0.00 56.93 55.23 1cye s PHE 30 Cb 0.00 -4.50 0.18 0.00 -0.57 0.00 0.00 43.02 38.14 1cye s PHE 30 CO 0.00 -1.58 1.22 0.09 -0.10 0.00 0.00 175.22 174.84 1cye n ASN 31 N 6.90 3.14 -2.71 1.36 3.02 -1.26 -3.60 115.26 122.09 1cye n ASN 31 Ca 0.40 -2.42 -0.21 0.00 -0.03 0.00 0.00 54.58 52.32 1cye n ASN 31 Cb 0.45 -0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1cye n ASN 31 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1cye n ASN 32 N 0.06 3.34 -4.31 6.41 5.03 -1.26 -5.06 115.26 119.47 1cye n ASN 32 Ca 0.16 -3.37 -0.33 0.00 0.87 0.00 0.00 54.58 51.91 1cye n ASN 32 Cb 0.80 -0.52 -0.15 0.00 -1.02 0.00 0.00 39.78 38.89 1cye n ASN 32 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1cye s VAL 33 N -4.31 2.90 0.34 2.41 0.11 -1.25 -0.83 120.40 119.77 1cye s VAL 33 Ca 0.42 -0.69 0.09 0.00 -2.93 0.00 0.00 61.98 58.87 1cye s VAL 33 Cb 0.38 -2.24 -0.06 0.00 -1.53 0.00 0.00 36.38 32.94 1cye s VAL 33 CO -0.11 0.51 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.53 1cye s GLU 34 N 0.75 1.99 0.00 1.54 0.41 0.73 -4.96 118.70 119.16 1cye s GLU 34 Ca -0.05 -1.82 0.05 0.00 -0.41 0.00 0.00 54.97 52.74 1cye s GLU 34 Cb -0.15 -1.85 -0.02 0.00 -1.78 0.00 0.00 34.13 30.34 1cye s GLU 34 CO 0.01 0.13 -0.17 -1.21 -0.49 0.00 0.00 175.26 173.54 1cye s GLU 35 N -3.68 1.28 0.05 1.61 2.02 -1.26 -0.76 118.70 117.96 1cye s GLU 35 Ca 0.34 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.72 1cye s GLU 35 Cb 0.01 -1.27 -0.03 0.00 0.10 0.00 0.00 34.13 32.95 1cye s GLU 35 CO 0.18 0.34 -0.12 0.00 0.02 0.00 0.00 175.26 175.69 1cye s ALA 36 N -0.50 0.96 -0.16 5.21 0.00 0.54 -4.95 121.76 122.86 1cye s ALA 36 Ca 0.06 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1cye s ALA 36 Cb -0.07 -0.07 -0.14 0.00 0.00 0.00 0.00 23.12 22.84 1cye s ALA 36 CO -0.00 0.11 0.24 0.93 0.00 0.00 0.00 175.76 177.04 1cye h GLU 37 N 4.52 0.00 -5.08 0.00 5.08 -1.81 -1.09 114.58 116.20 1cye h GLU 37 Ca -0.38 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.54 1cye h GLU 37 Cb 1.19 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.30 1cye h GLU 37 CO 0.41 0.62 -0.60 0.16 -1.00 0.00 0.00 179.01 178.61 1cye s ASP 38 N -6.24 1.99 0.29 1.42 1.47 -1.26 -1.96 116.67 112.38 1cye s ASP 38 Ca -0.19 -1.42 0.03 0.00 1.18 0.00 0.00 52.55 52.16 1cye s ASP 38 Cb 0.02 0.08 0.75 0.00 -0.34 0.00 0.00 42.92 43.44 1cye s ASP 38 CO 0.44 -0.70 1.64 1.23 0.68 0.00 0.00 175.17 178.47 1cye h GLY 39 N 2.17 1.43 0.92 2.12 0.00 -1.42 -1.05 103.07 107.25 1cye h GLY 39 Ca -0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1cye h GLY 39 CO 0.65 -0.39 -0.26 -2.08 0.00 0.00 0.00 176.54 174.46 1cye h VAL 40 N 0.21 0.45 -1.01 4.60 2.07 -1.87 0.02 116.25 120.72 1cye h VAL 40 Ca 0.57 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 68.08 1cye h VAL 40 Cb 1.18 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 1cye h VAL 40 CO -0.66 0.02 0.63 0.44 0.02 0.00 0.00 177.57 178.02 1cye h ASP 41 N -0.81 0.93 0.45 0.57 3.32 -1.71 -0.67 116.42 118.50 1cye h ASP 41 Ca -0.07 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1cye h ASP 41 Cb 0.59 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1cye h ASP 41 CO 0.12 0.49 -0.21 0.00 -1.72 0.00 0.00 179.24 177.92 1cye h ALA 42 N 1.54 -0.60 -0.17 3.45 0.00 -0.95 -2.00 119.26 120.53 1cye h ALA 42 Ca 0.50 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1cye h ALA 42 Cb 0.50 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1cye h ALA 42 CO -0.27 -0.83 -0.12 -0.07 0.00 0.00 0.00 179.25 177.96 1cye h LEU 43 N -0.62 -0.40 -0.74 0.00 3.38 0.41 0.16 115.31 117.51 1cye h LEU 43 Ca -0.06 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1cye h LEU 43 Cb 0.47 0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 1cye h LEU 43 CO 0.10 -0.16 -0.07 0.78 0.09 0.00 0.00 178.44 179.18 1cye h ASN 44 N -0.13 -0.48 -0.01 -0.43 4.21 -1.10 -0.01 115.58 117.64 1cye h ASN 44 Ca 0.10 0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.82 1cye h ASN 44 Cb 0.28 0.39 -0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1cye h ASN 44 CO -0.25 -0.21 -0.01 0.11 -1.29 0.00 0.00 177.43 175.79 1cye h LYS 45 N 0.06 0.02 -0.69 0.81 1.57 -0.63 -3.32 116.57 114.38 1cye h LYS 45 Ca 0.38 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1cye h LYS 45 Cb 0.64 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 1cye h LYS 45 CO -0.70 0.46 0.46 -0.07 -0.57 0.00 0.00 179.45 179.03 1cye h LEU 46 N -0.43 0.76 -2.14 2.94 3.38 0.79 -2.81 115.31 117.80 1cye h LEU 46 Ca 0.00 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1cye h LEU 46 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1cye h LEU 46 CO 0.00 0.54 0.29 1.56 0.09 0.00 0.00 178.44 180.91 1cye h GLN 47 N 0.89 0.00 0.00 1.13 1.08 -1.16 -0.83 115.11 116.21 1cye h GLN 47 Ca 0.26 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.41 1cye h GLN 47 Cb -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1cye h GLN 47 CO -0.07 0.00 -0.25 0.00 -0.95 0.00 0.00 178.83 177.56 1cye h ALA 48 N 1.67 1.39 0.00 3.87 0.00 -1.68 -3.50 119.26 121.02 1cye h ALA 48 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1cye h ALA 48 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1cye h ALA 48 CO -0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1cye n GLY 49 N -0.59 -1.80 4.59 0.00 0.00 -0.32 -5.01 105.19 102.06 1cye n GLY 49 Ca -0.02 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 1.31 3.60 -0.02 0.00 -1.26 -4.92 105.19 103.89 1cye n GLY 50 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 1.33 -0.38 1.61 2.02 -1.26 -4.43 117.35 116.24 1cye s TYR 51 Ca 0.00 0.60 0.06 0.00 -0.37 0.00 0.00 57.07 57.37 1cye s TYR 51 Cb 0.00 -3.97 0.61 0.00 -0.40 0.00 0.00 41.96 38.20 1cye s TYR 51 CO 0.00 -3.72 1.73 0.41 -1.57 0.00 0.00 175.55 172.40 1cye n GLY 52 N 5.69 4.62 3.63 0.71 0.00 -0.32 -4.90 105.19 114.62 1cye n GLY 52 Ca 0.28 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.26 -0.07 -0.23 1.61 2.19 -1.16 -4.42 117.98 112.64 1cye s PHE 53 Ca 0.52 0.14 -0.01 0.00 0.33 0.00 0.00 56.93 57.91 1cye s PHE 53 Cb 0.45 0.04 0.02 0.00 -1.31 0.00 0.00 43.02 42.22 1cye s PHE 53 CO 0.07 -0.03 -0.10 0.08 1.83 0.00 0.00 175.22 177.07 1cye s VAL 54 N 1.09 2.68 -0.50 3.12 1.01 0.56 -1.64 120.40 126.72 1cye s VAL 54 Ca -0.08 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1cye s VAL 54 Cb -0.02 -2.32 0.13 0.00 0.00 0.00 0.00 36.38 34.17 1cye s VAL 54 CO -0.10 0.28 0.37 -0.63 0.00 0.00 0.00 175.10 175.02 1cye s ILE 55 N 1.31 4.20 -0.13 2.22 1.01 -0.55 -0.50 121.20 128.76 1cye s ILE 55 Ca 0.01 -1.93 0.02 0.00 0.00 0.00 0.00 60.65 58.75 1cye s ILE 55 Cb -0.16 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1cye s ILE 55 CO -0.06 -0.79 -0.20 -0.55 0.00 0.00 0.00 174.94 173.34 1cye s SER 56 N 2.46 3.36 0.04 3.58 0.15 0.14 -0.13 113.70 123.31 1cye s SER 56 Ca 0.07 -0.52 -0.31 0.00 0.70 0.00 0.00 55.95 55.90 1cye s SER 56 Cb -0.25 -1.49 -0.06 0.00 -1.71 0.00 0.00 66.02 62.52 1cye s SER 56 CO -0.02 0.11 1.27 -0.62 1.20 0.00 0.00 173.24 175.18 1cye s ASP 57 N 0.63 6.99 0.22 5.45 2.15 -0.21 -0.17 116.67 131.74 1cye s ASP 57 Ca -0.10 2.06 -0.09 0.00 0.43 0.00 0.00 52.55 54.85 1cye s ASP 57 Cb -0.16 -2.57 0.35 0.00 -0.30 0.00 0.00 42.92 40.24 1cye s ASP 57 CO 0.03 -0.56 1.67 -0.25 -0.17 0.00 0.00 175.17 175.89 1cye h TRP 58 N 7.06 0.07 -3.34 -5.34 2.91 -1.05 -3.12 115.95 113.14 1cye h TRP 58 Ca -0.40 0.04 -0.67 0.00 1.13 0.00 0.00 58.89 59.00 1cye h TRP 58 Cb 1.20 0.07 -0.17 0.00 -0.51 0.00 0.00 29.16 29.75 1cye h TRP 58 CO 0.69 -0.14 0.12 1.21 -1.03 0.00 0.00 178.44 179.29 1cye s ASN 59 N -5.24 6.26 -0.09 2.65 2.47 -1.26 -1.09 114.94 118.64 1cye s ASN 59 Ca -0.13 -0.70 -0.06 0.00 0.42 0.00 0.00 52.86 52.39 1cye s ASN 59 Cb 0.20 -2.31 0.04 0.00 -1.45 0.00 0.00 41.25 37.72 1cye s ASN 59 CO 0.74 -0.89 0.22 -0.04 -3.72 0.00 0.00 177.10 173.41 1cye s MET 60 N 2.82 0.21 0.49 0.43 -1.94 -1.26 -4.42 119.30 115.63 1cye s MET 60 Ca 0.19 0.43 -0.22 0.00 -1.71 0.00 0.00 55.69 54.37 1cye s MET 60 Cb -0.17 -0.04 -0.06 0.00 2.01 0.00 0.00 34.83 36.56 1cye s MET 60 CO 0.14 -0.12 1.22 -1.25 -0.01 0.00 0.00 175.02 175.00 1cye s PRO 61 N 0.85 3.53 0.00 2.03 0.04 -1.26 -3.10 135.00 137.08 1cye s PRO 61 Ca -0.06 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1cye s PRO 61 Cb -0.07 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1cye s PRO 61 CO -0.05 -0.78 0.00 0.09 0.04 0.00 0.00 177.00 176.30 1cye n ASN 62 N -0.74 0.00 -4.05 6.66 4.13 -1.26 -4.41 115.26 115.59 1cye n ASN 62 Ca 0.09 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.02 1cye n ASN 62 Cb 0.47 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.58 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 1.83 1.09 3.52 1.75 -1.26 -5.04 119.30 121.19 1cye s MET 63 Ca 0.00 -2.02 -0.12 0.00 -1.25 0.00 0.00 55.69 52.29 1cye s MET 63 Cb 0.00 -3.41 0.24 0.00 2.84 0.00 0.00 34.83 34.50 1cye s MET 63 CO 0.00 -1.03 1.06 0.16 -0.65 0.00 0.00 175.02 174.56 1cye s ASP 64 N 1.04 1.71 0.14 1.11 1.47 -1.18 -1.35 116.67 119.62 1cye s ASP 64 Ca 0.11 1.43 -0.28 0.00 1.18 0.00 0.00 52.55 55.00 1cye s ASP 64 Cb -0.21 -2.16 -0.03 0.00 -0.34 0.00 0.00 42.92 40.18 1cye s ASP 64 CO -0.05 -3.73 1.58 1.23 0.68 0.00 0.00 175.17 174.88 1cye h GLY 65 N -2.30 -0.60 1.23 2.12 0.00 -1.04 0.11 103.07 102.58 1cye h GLY 65 Ca -0.58 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1cye h GLY 65 CO 0.53 -0.21 0.43 -2.00 0.00 0.00 0.00 176.54 175.28 1cye h LEU 66 N -0.42 0.90 -0.55 3.11 5.85 -1.87 -0.91 115.31 121.42 1cye h LEU 66 Ca 0.10 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1cye h LEU 66 Cb 0.60 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1cye h LEU 66 CO -0.45 0.71 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.00 1cye h GLU 67 N 1.03 0.88 -0.62 1.25 4.81 -1.69 -2.97 114.58 117.27 1cye h GLU 67 Ca 0.26 -0.40 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1cye h GLU 67 Cb -0.01 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1cye h GLU 67 CO -0.05 1.04 0.10 1.25 -0.73 0.00 0.00 179.01 180.63 1cye h LEU 68 N 0.75 0.97 -0.50 1.64 5.85 -0.03 -2.70 115.31 121.29 1cye h LEU 68 Ca 0.09 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.69 1cye h LEU 68 Cb 0.83 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 1cye h LEU 68 CO 0.07 0.97 -0.08 0.25 -0.34 0.00 0.00 178.44 179.31 1cye h LEU 69 N 0.96 -0.37 -0.70 2.25 6.46 -1.04 -1.85 115.31 121.02 1cye h LEU 69 Ca 0.19 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1cye h LEU 69 Cb 0.42 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 1cye h LEU 69 CO 0.01 -0.13 0.45 0.11 -0.62 0.00 0.00 178.44 178.25 1cye h LYS 70 N 0.04 0.94 0.00 1.25 1.57 -1.37 -0.86 116.57 118.13 1cye h LYS 70 Ca 0.25 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1cye h LYS 70 Cb 0.38 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1cye h LYS 70 CO -0.48 0.64 0.00 0.25 -0.57 0.00 0.00 179.45 179.29 1cye n THR 71 N -4.57 0.83 -0.10 -0.16 -2.24 -0.74 -0.81 114.28 106.50 1cye n THR 71 Ca 0.06 0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.95 1cye n THR 71 Cb 0.04 -1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 66.98 1cye n THR 71 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1cye n ILE 72 N -2.28 1.49 -0.08 2.28 5.41 -0.69 -3.92 119.36 121.57 1cye n ILE 72 Ca 0.02 0.02 -0.07 0.00 1.00 0.00 0.00 62.75 63.71 1cye n ILE 72 Cb 0.22 -2.17 -0.01 0.00 -0.71 0.00 0.00 39.64 36.97 1cye n ILE 72 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1cye h ARG 73 N -1.00 -0.20 0.00 0.38 -0.00 -0.95 -1.50 114.38 111.11 1cye h ARG 73 Ca -0.25 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.24 1cye h ARG 73 Cb 1.06 0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.07 1cye h ARG 73 CO -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 179.97 179.68 1cye n ALA 74 N -2.84 2.16 -2.55 0.04 0.00 0.01 -4.04 120.51 113.29 1cye n ALA 74 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1cye n ALA 74 Cb 0.29 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1cye n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1cye n ASP 75 N -2.25 4.98 0.00 0.00 -0.08 -0.58 -4.94 116.55 113.68 1cye n ASP 75 Ca 0.05 -2.99 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 1cye n ASP 75 Cb 0.39 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.27 1cye n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cye n GLY 76 N 3.90 0.36 0.25 0.27 0.00 -1.26 -0.51 105.19 108.19 1cye n GLY 76 Ca 0.42 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.95 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 1.68 0.00 4.61 0.00 -1.92 -2.73 119.26 120.91 1cye h ALA 77 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1cye h ALA 77 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1cye h ALA 77 CO 0.00 0.24 0.00 0.52 0.00 0.00 0.00 179.25 180.01 1cye h MET 78 N 0.14 0.00 -0.47 0.00 2.86 -1.00 -3.04 114.93 113.42 1cye h MET 78 Ca 0.03 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.81 1cye h MET 78 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1cye h MET 78 CO 0.01 0.00 0.44 0.66 1.06 0.00 0.00 176.91 179.09 1cye h SER 79 N 0.00 0.00 1.08 1.22 4.64 -1.38 0.29 113.55 119.40 1cye h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cye h SER 79 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1cye h SER 79 CO 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 175.40 1cye h ALA 80 N 1.55 0.66 -1.82 5.18 0.00 -1.80 -3.46 119.26 119.57 1cye h ALA 80 Ca 0.22 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.57 1cye h ALA 80 Cb 1.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1cye h ALA 80 CO -0.00 0.00 1.01 -0.51 0.00 0.00 0.00 179.25 179.74 1cye s LEU 81 N -4.69 3.68 0.14 0.00 1.43 0.09 -4.96 118.68 114.36 1cye s LEU 81 Ca 0.05 0.83 -0.35 0.00 -1.03 0.00 0.00 54.13 53.64 1cye s LEU 81 Cb 0.12 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.64 1cye s LEU 81 CO 0.71 -1.29 1.46 -0.81 0.23 0.00 0.00 176.35 176.65 1cye n PRO 82 N 7.81 1.75 -3.93 1.29 -0.04 -1.26 -4.75 135.00 135.86 1cye n PRO 82 Ca 0.15 0.63 -0.35 0.00 -0.04 0.00 0.00 63.50 63.89 1cye n PRO 82 Cb 0.48 -2.33 -0.14 0.00 -0.04 0.00 0.00 33.50 31.46 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 0.63 3.11 -0.28 0.52 1.01 -1.26 -0.33 120.40 123.81 1cye s VAL 83 Ca 0.80 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1cye s VAL 83 Cb -0.78 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1cye s VAL 83 CO 0.43 0.32 0.04 -0.22 0.00 0.00 0.00 175.10 175.67 1cye s LEU 84 N 1.41 3.67 -0.57 3.92 2.96 0.34 -1.15 118.68 129.26 1cye s LEU 84 Ca 0.03 -0.77 -0.23 0.00 -0.22 0.00 0.00 54.13 52.94 1cye s LEU 84 Cb -0.15 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 44.77 1cye s LEU 84 CO -0.04 -0.18 0.90 -0.04 -1.32 0.00 0.00 176.35 175.67 1cye s MET 85 N 1.44 3.25 -0.70 1.98 -1.94 -0.25 -0.68 119.30 122.40 1cye s MET 85 Ca 0.02 -0.49 -0.23 0.00 -1.71 0.00 0.00 55.69 53.27 1cye s MET 85 Cb -0.17 -4.10 0.06 0.00 2.01 0.00 0.00 34.83 32.63 1cye s MET 85 CO 0.00 -1.52 1.06 0.08 -0.01 0.00 0.00 175.02 174.63 1cye s VAL 86 N 3.78 4.18 -0.09 -6.03 1.01 0.76 -1.10 120.40 122.91 1cye s VAL 86 Ca 0.26 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1cye s VAL 86 Cb -0.15 -4.75 0.01 0.00 0.00 0.00 0.00 36.38 31.49 1cye s VAL 86 CO 0.16 -1.57 -0.19 0.28 0.00 0.00 0.00 175.10 173.78 1cye s THR 87 N 4.43 1.73 0.36 3.92 -1.32 -0.55 -0.37 115.64 123.85 1cye s THR 87 Ca 0.26 -0.82 0.09 0.00 -1.21 0.00 0.00 61.69 60.01 1cye s THR 87 Cb -0.14 -1.52 0.12 0.00 -1.51 0.00 0.00 72.50 69.45 1cye s THR 87 CO 0.10 0.49 1.85 0.00 -2.21 0.00 0.00 174.62 174.85 1cye h ALA 88 N 6.91 1.39 -2.90 11.08 0.00 -1.84 -3.11 119.26 130.79 1cye h ALA 88 Ca -0.25 -0.27 -0.71 0.00 0.00 0.00 0.00 54.91 53.68 1cye h ALA 88 Cb 1.21 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.64 1cye h ALA 88 CO 0.48 0.42 -0.51 -1.21 0.00 0.00 0.00 179.25 178.43 1cye s GLU 89 N -4.54 2.60 -1.25 0.00 2.02 -1.26 -4.65 118.70 111.63 1cye s GLU 89 Ca -0.05 -1.36 -0.07 0.00 0.02 0.00 0.00 54.97 53.51 1cye s GLU 89 Cb 0.15 -3.68 0.19 0.00 0.10 0.00 0.00 34.13 30.88 1cye s GLU 89 CO 0.74 -0.86 1.98 0.00 0.02 0.00 0.00 175.26 177.14 1cye n ALA 90 N 4.88 5.86 -2.50 5.21 0.00 -1.26 -4.79 120.51 127.90 1cye n ALA 90 Ca -0.10 -4.34 -0.29 0.00 0.00 0.00 0.00 53.44 48.71 1cye n ALA 90 Cb 0.44 -2.76 -0.11 0.00 0.00 0.00 0.00 19.45 17.01 1cye n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cye s LYS 91 N -0.94 1.83 0.13 0.00 1.02 -1.26 -5.01 119.74 115.51 1cye s LYS 91 Ca 0.43 -1.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.04 1cye s LYS 91 Cb 0.12 -2.12 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1cye s LYS 91 CO -0.02 0.47 1.05 1.17 -0.92 0.00 0.00 175.35 177.10 1cye n LYS 92 N 0.65 -0.25 -0.06 1.68 4.81 -1.26 -1.26 118.16 122.46 1cye n LYS 92 Ca -0.15 1.03 -0.07 0.00 -0.87 0.00 0.00 58.31 58.26 1cye n LYS 92 Cb 0.53 -1.53 -0.01 0.00 0.02 0.00 0.00 35.03 34.05 1cye n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cye h GLU 93 N 0.00 -0.18 -0.09 1.64 3.07 -1.97 0.17 114.58 117.22 1cye h GLU 93 Ca 0.15 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1cye h GLU 93 Cb 0.32 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1cye h GLU 93 CO -0.65 -0.12 0.05 -0.91 -1.40 0.00 0.00 179.01 175.97 1cye h ASN 94 N -0.19 0.11 0.23 1.42 4.21 -1.49 -1.25 115.58 118.63 1cye h ASN 94 Ca 0.15 -0.09 0.01 0.00 1.21 0.00 0.00 56.30 57.58 1cye h ASN 94 Cb 0.42 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.57 1cye h ASN 94 CO -0.39 0.16 -0.27 0.40 -1.29 0.00 0.00 177.43 176.05 1cye h ILE 95 N 0.04 0.42 0.33 2.81 2.04 -0.66 -0.85 117.51 121.65 1cye h ILE 95 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1cye h ILE 95 Cb 0.08 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1cye h ILE 95 CO -0.00 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 178.29 1cye h ILE 96 N -0.55 0.47 -0.67 -0.67 1.08 -0.61 -1.58 117.51 114.98 1cye h ILE 96 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 1cye h ILE 96 Cb 0.52 0.47 -0.08 0.00 -3.07 0.00 0.00 36.82 34.66 1cye h ILE 96 CO -0.08 0.00 0.25 0.00 -0.69 0.00 0.00 178.15 177.63 1cye h ALA 97 N 0.02 0.89 0.24 1.87 0.00 -1.05 -1.17 119.26 120.06 1cye h ALA 97 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1cye h ALA 97 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1cye h ALA 97 CO -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 179.25 178.93 1cye h ALA 98 N 1.47 -0.32 -0.45 0.00 0.00 -0.94 -2.84 119.26 116.19 1cye h ALA 98 Ca 0.35 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1cye h ALA 98 Cb 0.47 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1cye h ALA 98 CO -0.35 -0.55 0.24 0.00 0.00 0.00 0.00 179.25 178.59 1cye h ALA 99 N 0.11 0.57 -0.98 0.00 0.00 -0.83 -1.16 119.26 116.97 1cye h ALA 99 Ca -0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1cye h ALA 99 Cb 0.42 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1cye h ALA 99 CO 0.05 -0.11 0.64 1.96 0.00 0.00 0.00 179.25 181.80 1cye h GLN 100 N 0.47 1.14 0.00 0.00 4.20 -1.24 -2.50 115.11 117.18 1cye h GLN 100 Ca 0.19 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 1cye h GLN 100 Cb 0.08 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1cye h GLN 100 CO -0.12 0.75 -0.64 0.00 -0.67 0.00 0.00 178.83 178.15 1cye h ALA 101 N 1.46 0.64 0.00 3.87 0.00 -1.23 -3.48 119.26 120.51 1cye h ALA 101 Ca 0.41 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cye h ALA 101 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cye h ALA 101 CO -0.15 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1cye n GLY 102 N 1.07 0.62 3.67 0.00 0.00 -0.94 -4.78 105.19 104.83 1cye n GLY 102 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.08 3.63 0.33 4.61 0.00 -0.48 -4.79 121.76 123.98 1cye s ALA 103 Ca 0.00 1.18 0.23 0.00 0.00 0.00 0.00 51.96 53.37 1cye s ALA 103 Cb 0.00 -3.78 1.13 0.00 0.00 0.00 0.00 23.12 20.47 1cye s ALA 103 CO 0.00 -1.40 1.95 0.77 0.00 0.00 0.00 175.76 177.08 1cye h SER 104 N 9.64 0.00 0.00 0.00 0.02 -1.48 -3.43 113.55 118.31 1cye h SER 104 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1cye h SER 104 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1cye h SER 104 CO 0.94 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 1cye n GLY 105 N -0.40 0.18 2.92 -3.77 0.00 -1.14 -4.70 105.19 98.28 1cye n GLY 105 Ca -0.01 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.15 -0.19 1.61 -0.85 -1.26 -1.09 117.35 113.42 1cye s TYR 106 Ca 0.00 0.45 -0.02 0.00 -0.52 0.00 0.00 57.07 56.98 1cye s TYR 106 Cb 0.00 -0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.25 1cye s TYR 106 CO 0.00 -0.15 -0.08 0.54 -1.52 0.00 0.00 175.55 174.33 1cye s VAL 107 N 1.07 3.20 0.05 -3.49 0.11 -0.26 -4.92 120.40 116.15 1cye s VAL 107 Ca -0.08 -0.57 -0.31 0.00 -2.93 0.00 0.00 61.98 58.09 1cye s VAL 107 Cb -0.11 -2.41 -0.06 0.00 -1.53 0.00 0.00 36.38 32.27 1cye s VAL 107 CO -0.05 0.47 1.29 -0.69 -3.33 0.00 0.00 175.10 172.78 1cye s VAL 108 N 1.06 3.82 -0.16 2.04 1.01 -1.25 -1.48 120.40 125.44 1cye s VAL 108 Ca 0.00 1.28 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1cye s VAL 108 Cb -0.15 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1cye s VAL 108 CO -0.01 0.06 0.14 -1.59 0.00 0.00 0.00 175.10 173.70 1cye s LYS 109 N 1.50 3.83 0.36 2.72 -2.85 -1.18 -3.15 119.74 120.98 1cye s LYS 109 Ca 0.61 -0.17 -0.26 0.00 -1.00 0.00 0.00 55.97 55.15 1cye s LYS 109 Cb -0.31 -3.31 -0.09 0.00 -2.06 0.00 0.00 37.83 32.06 1cye s LYS 109 CO 0.28 0.53 1.05 -1.25 0.10 0.00 0.00 175.35 176.06 1cye s PRO 110 N -0.32 4.34 0.08 1.78 0.04 -1.26 -4.59 135.00 135.07 1cye s PRO 110 Ca 0.12 1.56 0.06 0.00 0.04 0.00 0.00 61.00 62.77 1cye s PRO 110 Cb -0.12 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 1cye s PRO 110 CO 0.01 0.00 -0.15 -0.59 0.04 0.00 0.00 177.00 176.32 1cye s PHE 111 N -1.53 1.32 0.45 0.56 -0.71 -1.19 -5.17 117.98 111.72 1cye s PHE 111 Ca 0.53 -0.47 0.08 0.00 -1.04 0.00 0.00 56.93 56.03 1cye s PHE 111 Cb -0.24 -0.73 0.02 0.00 -1.21 0.00 0.00 43.02 40.86 1cye s PHE 111 CO 0.30 0.09 0.55 -0.08 -1.34 0.00 0.00 175.22 174.74 1cye s THR 112 N -1.43 2.68 0.25 -4.49 -1.32 -1.26 -4.94 115.64 105.13 1cye s THR 112 Ca 0.01 -1.12 -0.03 0.00 -1.21 0.00 0.00 61.69 59.34 1cye s THR 112 Cb -0.09 -2.79 0.23 0.00 -1.51 0.00 0.00 72.50 68.33 1cye s THR 112 CO 0.03 0.00 1.73 0.00 -2.21 0.00 0.00 174.62 174.17 1cye h ALA 113 N 0.66 1.13 -0.29 11.08 0.00 -1.98 -0.92 119.26 128.94 1cye h ALA 113 Ca -0.38 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1cye h ALA 113 Cb 1.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1cye h ALA 113 CO 0.48 -0.20 0.14 0.00 0.00 0.00 0.00 179.25 179.68 1cye h ALA 114 N 1.56 0.37 -0.22 0.00 0.00 -1.96 0.19 119.26 119.21 1cye h ALA 114 Ca 0.43 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1cye h ALA 114 Cb 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1cye h ALA 114 CO -0.40 -0.07 0.10 1.15 0.00 0.00 0.00 179.25 180.03 1cye h THR 115 N 0.34 0.98 0.00 0.00 2.02 -1.72 -1.02 112.91 113.51 1cye h THR 115 Ca 0.10 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1cye h THR 115 Cb 0.11 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1cye h THR 115 CO -0.01 0.04 -0.09 0.25 0.37 0.00 0.00 175.52 176.08 1cye h LEU 116 N 0.22 -0.26 -0.43 2.58 5.85 -0.93 -2.24 115.31 120.10 1cye h LEU 116 Ca 0.09 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1cye h LEU 116 Cb 0.03 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1cye h LEU 116 CO -0.07 -0.13 0.13 -0.08 -0.34 0.00 0.00 178.44 177.94 1cye h GLU 117 N -0.16 0.27 -0.53 1.25 4.57 -0.51 -0.96 114.58 118.52 1cye h GLU 117 Ca 0.03 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 1cye h GLU 117 Cb 0.20 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 1cye h GLU 117 CO -0.09 0.18 0.19 0.93 -1.18 0.00 0.00 179.01 179.03 1cye h GLU 118 N 0.28 0.35 -0.12 1.92 5.08 -0.86 -1.19 114.58 120.05 1cye h GLU 118 Ca 0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1cye h GLU 118 Cb 0.22 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1cye h GLU 118 CO -0.23 0.23 0.04 0.87 -1.00 0.00 0.00 179.01 178.92 1cye h LYS 119 N 0.36 0.19 -0.45 2.33 1.79 -0.73 -2.36 116.57 117.70 1cye h LYS 119 Ca 0.26 -0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.77 1cye h LYS 119 Cb 0.29 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.84 1cye h LYS 119 CO -0.27 0.32 0.03 -0.07 -1.08 0.00 0.00 179.45 178.39 1cye h LEU 120 N 0.01 -0.13 0.49 2.94 3.38 -0.63 -1.77 115.31 119.60 1cye h LEU 120 Ca 0.04 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1cye h LEU 120 Cb 0.21 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1cye h LEU 120 CO -0.00 -0.03 -0.44 0.78 0.09 0.00 0.00 178.44 178.84 1cye h ASN 121 N 0.14 -1.18 -0.77 -0.43 4.21 -1.16 -2.76 115.58 113.63 1cye h ASN 121 Ca 0.22 0.09 0.15 0.00 1.21 0.00 0.00 56.30 57.97 1cye h ASN 121 Cb 0.31 0.39 -0.10 0.00 -1.12 0.00 0.00 38.32 37.80 1cye h ASN 121 CO -0.35 -0.61 0.32 0.50 -1.29 0.00 0.00 177.43 176.01 1cye h LYS 122 N -0.92 0.45 0.04 0.81 3.64 -0.96 -2.27 116.57 117.36 1cye h LYS 122 Ca -0.05 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1cye h LYS 122 Cb 0.80 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1cye h LYS 122 CO -0.04 0.30 -0.13 0.82 -2.27 0.00 0.00 179.45 178.13 1cye h ILE 123 N 0.46 0.68 -0.82 2.00 2.04 -1.09 -2.56 117.51 118.23 1cye h ILE 123 Ca 0.43 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.36 1cye h ILE 123 Cb 0.66 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1cye h ILE 123 CO -0.41 0.00 0.49 -0.26 0.00 0.00 0.00 178.15 177.98 1cye h PHE 124 N -0.24 0.91 0.04 1.37 0.04 -1.14 -1.54 116.94 116.37 1cye h PHE 124 Ca 0.03 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.85 1cye h PHE 124 Cb 0.28 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1cye h PHE 124 CO -0.17 0.44 -0.14 1.49 -0.60 0.00 0.00 178.31 179.33 1cye h GLU 125 N 0.88 -0.24 -0.47 1.51 4.81 -1.22 0.72 114.58 120.57 1cye h GLU 125 Ca 0.37 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1cye h GLU 125 Cb 0.22 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1cye h GLU 125 CO -0.19 -0.16 0.08 0.87 -0.73 0.00 0.00 179.01 178.88 1cye h LYS 126 N -0.25 0.78 -0.00 1.92 1.57 -1.04 -2.74 116.57 116.81 1cye h LYS 126 Ca 0.03 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1cye h LYS 126 Cb 0.29 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1cye h LYS 126 CO -0.10 0.79 0.00 1.28 -0.57 0.00 0.00 179.45 180.85 1cye n LEU 127 N -4.44 0.03 -3.65 2.94 4.77 -0.63 -4.92 117.00 111.11 1cye n LEU 127 Ca 0.01 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1cye n LEU 127 Cb 0.25 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1cye n LEU 127 CO 0.40 0.01 0.20 0.61 -1.33 0.00 0.00 177.39 177.27 1cye n GLY 128 N 0.78 -0.51 0.51 -0.72 0.00 -0.70 -5.04 105.19 99.50 1cye n GLY 128 Ca 0.13 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.44 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35