#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 4.72 -1.98 0.55 2.88 -1.26 -4.82 113.62 113.71 1cye n SER 2 Ca 0.00 -2.99 -0.04 0.00 -1.33 0.00 0.00 58.87 54.52 1cye n SER 2 Cb 0.00 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 61.83 1cye n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1cye n ASP 3 N 5.33 2.98 0.25 -3.46 -0.08 -1.26 -4.52 116.55 115.78 1cye n ASP 3 Ca 0.44 -1.93 0.10 0.00 -1.51 0.00 0.00 54.79 51.89 1cye n ASP 3 Cb 0.39 -0.72 0.64 0.00 2.34 0.00 0.00 41.12 43.77 1cye n ASP 3 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1cye h LYS 4 N 3.36 0.00 -0.98 -0.67 2.10 -1.88 -2.39 116.57 116.11 1cye h LYS 4 Ca 0.06 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.62 1cye h LYS 4 Cb 0.72 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.99 1cye h LYS 4 CO 0.18 0.14 0.11 -1.91 -2.00 0.00 0.00 179.45 175.98 1cye n GLU 5 N -3.95 1.44 -2.86 0.07 0.00 -1.26 -2.26 120.64 111.82 1cye n GLU 5 Ca -0.02 -0.70 -0.41 0.00 0.00 0.00 0.00 57.16 56.03 1cye n GLU 5 Cb 0.23 -1.37 -0.04 0.00 0.00 0.00 0.00 31.44 30.26 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 -0.72 4.36 -0.62 4.31 0.20 -0.90 -4.78 118.68 120.52 1cye s LEU 6 Ca 0.13 1.47 -0.23 0.00 0.69 0.00 0.00 54.13 56.19 1cye s LEU 6 Cb 0.11 -3.36 0.06 0.00 -0.43 0.00 0.00 46.19 42.57 1cye s LEU 6 CO 0.03 -0.18 0.96 -0.54 -0.29 0.00 0.00 176.35 176.33 1cye s LYS 7 N 0.81 3.18 -0.08 1.98 1.02 -1.25 -3.42 119.74 121.97 1cye s LYS 7 Ca 0.45 -0.64 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 1cye s LYS 7 Cb -0.20 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 32.90 1cye s LYS 7 CO 0.24 -1.71 0.43 -0.06 -0.92 0.00 0.00 175.35 173.33 1cye s PHE 8 N 4.04 3.59 -0.40 3.18 0.40 0.47 -1.88 117.98 127.38 1cye s PHE 8 Ca 0.25 0.90 -0.07 0.00 -0.60 0.00 0.00 56.93 57.41 1cye s PHE 8 Cb -0.15 -2.43 0.08 0.00 0.51 0.00 0.00 43.02 41.03 1cye s PHE 8 CO 0.13 0.35 0.21 -1.17 0.70 0.00 0.00 175.22 175.44 1cye s LEU 9 N -0.02 5.01 -0.78 -0.37 0.20 -0.22 -0.09 118.68 122.41 1cye s LEU 9 Ca 0.24 -1.61 -0.26 0.00 0.69 0.00 0.00 54.13 53.19 1cye s LEU 9 Cb -0.15 -1.91 0.04 0.00 -0.43 0.00 0.00 46.19 43.73 1cye s LEU 9 CO 0.11 -0.50 1.28 -0.69 -0.29 0.00 0.00 176.35 176.25 1cye s VAL 10 N 1.33 3.81 -1.08 1.68 1.01 0.32 -1.59 120.40 125.87 1cye s VAL 10 Ca 0.03 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1cye s VAL 10 Cb -0.23 -4.92 0.28 0.00 0.00 0.00 0.00 36.38 31.51 1cye s VAL 10 CO -0.00 -1.84 1.12 0.52 0.00 0.00 0.00 175.10 174.90 1cye n VAL 11 N 6.42 4.44 -3.82 2.92 0.31 0.75 -0.88 118.33 128.47 1cye n VAL 11 Ca 0.08 -5.42 -0.30 0.00 -0.01 0.00 0.00 64.34 58.68 1cye n VAL 11 Cb 0.49 -2.49 -0.15 0.00 -0.91 0.00 0.00 33.84 30.78 1cye n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1cye s ASP 12 N 0.65 4.24 0.14 4.52 1.11 -0.85 -0.70 116.67 125.78 1cye s ASP 12 Ca 0.31 -1.78 0.06 0.00 0.18 0.00 0.00 52.55 51.32 1cye s ASP 12 Cb -0.07 -1.09 0.47 0.00 1.07 0.00 0.00 42.92 43.30 1cye s ASP 12 CO -0.06 -0.40 0.61 -0.90 1.18 0.00 0.00 175.17 175.59 1cye n ASP 13 N 4.67 0.10 -4.67 0.27 5.75 -0.60 -4.10 116.55 117.98 1cye n ASP 13 Ca -0.00 0.64 -0.39 0.00 -0.01 0.00 0.00 54.79 55.03 1cye n ASP 13 Cb 0.42 -0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 40.15 1cye n ASP 13 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1cye s PHE 14 N -4.71 3.38 0.20 2.11 5.36 -1.26 -4.93 117.98 118.12 1cye s PHE 14 Ca -0.04 0.74 -0.15 0.00 -0.96 0.00 0.00 56.93 56.52 1cye s PHE 14 Cb 0.13 -2.63 0.20 0.00 -0.34 0.00 0.00 43.02 40.38 1cye s PHE 14 CO 0.30 -0.06 1.63 0.66 -1.46 0.00 0.00 175.22 176.28 1cye h SER 15 N 7.40 -0.62 -0.44 6.13 4.64 -2.00 -0.27 113.55 128.38 1cye h SER 15 Ca -0.35 0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1cye h SER 15 Cb 1.16 0.39 -0.04 0.00 -0.31 0.00 0.00 62.40 63.60 1cye h SER 15 CO 0.73 -0.21 0.23 0.74 -0.87 0.00 0.00 176.83 177.45 1cye h THR 16 N -0.03 0.98 -0.37 2.95 2.02 -1.93 -1.58 112.91 114.95 1cye h THR 16 Ca 0.28 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1cye h THR 16 Cb 0.45 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1cye h THR 16 CO -0.62 0.08 0.19 -0.03 0.37 0.00 0.00 175.52 175.51 1cye h MET 17 N 0.46 0.53 -0.54 6.66 -1.53 -1.58 -1.13 114.93 117.80 1cye h MET 17 Ca 0.19 -0.07 0.09 0.00 -3.44 0.00 0.00 59.70 56.47 1cye h MET 17 Cb 0.08 -0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 30.96 1cye h MET 17 CO -0.12 0.45 0.15 0.00 0.14 0.00 0.00 176.91 177.53 1cye h ARG 18 N 0.46 0.29 -0.62 0.39 3.08 -0.52 -2.19 114.38 115.28 1cye h ARG 18 Ca 0.13 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1cye h ARG 18 Cb 0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1cye h ARG 18 CO -0.02 0.19 0.32 0.00 -1.07 0.00 0.00 179.97 179.40 1cye h ARG 19 N 0.30 0.88 0.32 0.04 3.08 -0.83 -2.40 114.38 115.77 1cye h ARG 19 Ca 0.27 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1cye h ARG 19 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1cye h ARG 19 CO -0.32 0.68 -0.25 0.82 -1.07 0.00 0.00 179.97 179.83 1cye h ILE 20 N 0.85 0.47 -0.67 2.04 1.08 -0.60 -1.63 117.51 119.05 1cye h ILE 20 Ca 0.22 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.77 1cye h ILE 20 Cb 0.07 0.47 -0.07 0.00 -3.07 0.00 0.00 36.82 34.23 1cye h ILE 20 CO -0.03 0.00 0.32 0.58 -0.69 0.00 0.00 178.15 178.33 1cye h VAL 21 N -0.58 0.86 0.02 1.67 2.07 -1.33 -1.66 116.25 117.31 1cye h VAL 21 Ca -0.02 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1cye h VAL 21 Cb 0.51 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1cye h VAL 21 CO -0.01 0.10 -0.29 -0.09 0.02 0.00 0.00 177.57 177.30 1cye h ARG 22 N 0.57 -0.44 -0.99 1.57 2.43 -1.16 -1.41 114.38 114.95 1cye h ARG 22 Ca 0.32 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.62 1cye h ARG 22 Cb 0.32 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 1cye h ARG 22 CO -0.25 -0.29 0.63 -0.91 -1.51 0.00 0.00 179.97 177.64 1cye h ASN 23 N -0.45 0.95 0.33 -3.80 -0.26 -0.42 -1.84 115.58 110.08 1cye h ASN 23 Ca 0.06 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.81 1cye h ASN 23 Cb 0.53 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1cye h ASN 23 CO -0.24 0.55 -0.16 -0.07 -1.06 0.00 0.00 177.43 176.46 1cye h LEU 24 N 1.05 -0.37 -0.88 1.61 3.38 -0.79 -2.18 115.31 117.13 1cye h LEU 24 Ca 0.46 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.50 1cye h LEU 24 Cb 0.37 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 1cye h LEU 24 CO -0.22 -0.18 0.50 -0.07 0.09 0.00 0.00 178.44 178.56 1cye h LEU 25 N -0.54 0.69 -0.03 1.67 3.38 -0.60 -1.75 115.31 118.13 1cye h LEU 25 Ca -0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1cye h LEU 25 Cb 0.40 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1cye h LEU 25 CO 0.07 0.35 -0.11 0.11 0.09 0.00 0.00 178.44 178.96 1cye h LYS 26 N 0.78 -0.16 -0.85 1.13 1.79 -1.21 0.26 116.57 118.31 1cye h LYS 26 Ca 0.45 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 59.01 1cye h LYS 26 Cb 0.50 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.13 1cye h LYS 26 CO -0.29 -0.11 0.55 0.93 -1.08 0.00 0.00 179.45 179.45 1cye h GLU 27 N -0.17 0.86 0.00 3.15 5.08 -0.69 -0.57 114.58 122.25 1cye h GLU 27 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cye h GLU 27 Cb 0.23 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1cye h GLU 27 CO -0.13 0.57 0.00 -0.07 -1.00 0.00 0.00 179.01 178.38 1cye h LEU 28 N 0.88 0.00 0.00 1.33 3.38 -0.75 -3.47 115.31 116.68 1cye h LEU 28 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1cye h LEU 28 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1cye h LEU 28 CO -0.15 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1cye n GLY 29 N 0.48 1.19 3.37 0.83 0.00 -0.22 -5.08 105.19 105.76 1cye n GLY 29 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 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 3.08 0.16 1.61 0.08 0.03 -4.68 117.98 116.26 1cye s PHE 30 Ca 0.00 -0.99 -0.15 0.00 0.12 0.00 0.00 56.93 55.91 1cye s PHE 30 Cb 0.00 -3.85 0.03 0.00 -0.57 0.00 0.00 43.02 38.63 1cye s PHE 30 CO 0.00 -1.17 1.81 -0.91 -0.10 0.00 0.00 175.22 174.85 1cye h ASN 31 N 9.07 0.54 -3.44 1.36 -0.26 -1.72 -3.30 115.58 117.82 1cye h ASN 31 Ca -0.29 -0.03 -0.73 0.00 -0.56 0.00 0.00 56.30 54.69 1cye h ASN 31 Cb 1.09 -0.14 -0.22 0.00 -1.06 0.00 0.00 38.32 38.00 1cye h ASN 31 CO 1.06 0.41 -0.40 0.20 -1.06 0.00 0.00 177.43 177.64 1cye s ASN 32 N -5.65 6.11 -0.09 5.81 0.01 -1.22 -5.02 114.94 114.89 1cye s ASN 32 Ca -0.13 -1.03 -0.01 0.00 -0.71 0.00 0.00 52.86 50.98 1cye s ASN 32 Cb 0.11 -2.16 0.03 0.00 0.41 0.00 0.00 41.25 39.64 1cye s ASN 32 CO 0.74 -0.51 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.10 1cye s VAL 33 N 1.66 0.62 0.18 1.60 1.01 -1.26 -0.40 120.40 123.82 1cye s VAL 33 Ca 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.07 1cye s VAL 33 Cb -0.21 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1cye s VAL 33 CO 0.09 0.30 -0.01 -0.70 0.00 0.00 0.00 175.10 174.78 1cye s GLU 34 N 1.86 2.35 -0.12 2.72 2.12 0.87 -4.96 118.70 123.53 1cye s GLU 34 Ca 0.05 -1.15 0.02 0.00 0.36 0.00 0.00 54.97 54.25 1cye s GLU 34 Cb -0.12 -2.32 0.01 0.00 0.26 0.00 0.00 34.13 31.96 1cye s GLU 34 CO -0.06 0.45 -0.19 -1.21 -0.54 0.00 0.00 175.26 173.71 1cye s GLU 35 N -2.96 2.64 0.10 4.30 2.02 -1.26 -0.53 118.70 123.01 1cye s GLU 35 Ca 0.27 -0.72 0.10 0.00 0.02 0.00 0.00 54.97 54.65 1cye s GLU 35 Cb -0.09 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1cye s GLU 35 CO 0.18 -0.03 -0.26 0.00 0.02 0.00 0.00 175.26 175.17 1cye s ALA 36 N 0.88 2.28 -0.10 5.21 0.00 -0.06 -4.95 121.76 125.03 1cye s ALA 36 Ca -0.07 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 1cye s ALA 36 Cb -0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1cye s ALA 36 CO -0.02 0.52 -0.04 1.49 0.00 0.00 0.00 175.76 177.72 1cye h GLU 37 N 4.18 0.00 -5.03 0.00 4.81 -1.85 -2.27 114.58 114.42 1cye h GLU 37 Ca -0.49 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.15 1cye h GLU 37 Cb 1.16 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.41 1cye h GLU 37 CO 0.40 0.00 -0.50 0.16 -0.73 0.00 0.00 179.01 178.35 1cye s ASP 38 N -5.33 2.97 0.20 1.04 -4.77 -1.26 -1.55 116.67 107.97 1cye s ASP 38 Ca -0.03 -1.73 -0.18 0.00 -3.30 0.00 0.00 52.55 47.31 1cye s ASP 38 Cb 0.00 0.60 0.18 0.00 -1.09 0.00 0.00 42.92 42.61 1cye s ASP 38 CO 0.05 -0.98 1.59 1.23 0.70 0.00 0.00 175.17 177.76 1cye h GLY 39 N 1.70 0.10 0.79 2.12 0.00 -1.45 -0.30 103.07 106.03 1cye h GLY 39 Ca -0.35 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1cye h GLY 39 CO 0.55 -0.23 -0.40 -2.08 0.00 0.00 0.00 176.54 174.39 1cye h VAL 40 N -0.10 0.19 -0.83 4.60 2.07 -1.89 -1.00 116.25 119.28 1cye h VAL 40 Ca 0.27 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.90 1cye h VAL 40 Cb 0.55 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1cye h VAL 40 CO -0.71 0.00 0.54 -0.78 0.02 0.00 0.00 177.57 176.64 1cye h ASP 41 N -0.96 0.68 0.11 0.57 3.58 -1.83 -1.70 116.42 116.87 1cye h ASP 41 Ca -0.07 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1cye h ASP 41 Cb 0.79 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1cye h ASP 41 CO 0.06 0.39 -0.05 0.00 -2.88 0.00 0.00 179.24 176.75 1cye h ALA 42 N 1.59 -0.15 -0.56 -0.78 0.00 -0.66 -1.58 119.26 117.13 1cye h ALA 42 Ca 0.39 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1cye h ALA 42 Cb 0.50 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1cye h ALA 42 CO -0.16 -0.49 0.22 -0.07 0.00 0.00 0.00 179.25 178.75 1cye h LEU 43 N -0.34 0.25 0.50 0.00 3.38 -0.30 0.30 115.31 119.09 1cye h LEU 43 Ca -0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1cye h LEU 43 Cb 0.28 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1cye h LEU 43 CO 0.03 0.16 -0.42 0.78 0.09 0.00 0.00 178.44 179.08 1cye h ASN 44 N 0.42 -1.10 -0.92 -0.43 -0.26 -1.35 -2.90 115.58 109.03 1cye h ASN 44 Ca 0.27 0.08 0.04 0.00 -0.56 0.00 0.00 56.30 56.14 1cye h ASN 44 Cb 0.28 0.36 -0.06 0.00 -1.06 0.00 0.00 38.32 37.84 1cye h ASN 44 CO -0.25 -0.59 0.60 0.11 -1.06 0.00 0.00 177.43 176.23 1cye h LYS 45 N -0.90 1.10 -0.94 0.81 1.57 -0.65 -2.79 116.57 114.76 1cye h LYS 45 Ca -0.05 -0.07 0.13 0.00 -1.87 0.00 0.00 60.65 58.80 1cye h LYS 45 Cb 0.78 -0.25 -0.09 0.00 0.08 0.00 0.00 32.23 32.75 1cye h LYS 45 CO -0.02 0.73 0.56 -0.07 -0.57 0.00 0.00 179.45 180.08 1cye h LEU 46 N 1.13 0.77 -1.31 2.94 3.38 -0.23 -0.90 115.31 121.09 1cye h LEU 46 Ca 0.38 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1cye h LEU 46 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1cye h LEU 46 CO -0.14 0.37 0.00 1.56 0.09 0.00 0.00 178.44 180.33 1cye h GLN 47 N 0.84 0.00 -0.25 1.13 7.50 -1.36 -3.19 115.11 119.77 1cye h GLN 47 Ca 0.49 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.64 1cye h GLN 47 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 1cye h GLN 47 CO -0.30 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.03 1cye n ALA 48 N -1.84 2.00 -0.43 3.87 0.00 -0.34 -4.94 120.51 118.84 1cye n ALA 48 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1cye n ALA 48 Cb 0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 0.14 -2.85 3.93 0.00 0.00 -1.20 -4.97 105.19 100.24 1cye n GLY 49 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.69 1.94 3.55 -0.02 0.00 -1.26 -4.95 105.19 101.75 1cye n GLY 50 Ca -0.03 0.00 -0.37 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 -1.72 1.41 -1.08 1.61 2.02 -1.26 -4.11 117.35 114.21 1cye s TYR 51 Ca 0.00 1.12 0.14 0.00 -0.37 0.00 0.00 57.07 57.96 1cye s TYR 51 Cb 0.00 -3.87 0.58 0.00 -0.40 0.00 0.00 41.96 38.27 1cye s TYR 51 CO 0.00 -2.40 1.45 0.41 -1.57 0.00 0.00 175.55 173.44 1cye n GLY 52 N 5.83 2.25 3.64 0.71 0.00 -0.79 -4.88 105.19 111.96 1cye n GLY 52 Ca 0.27 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.89 -0.52 -0.22 1.61 2.19 -1.09 -4.62 117.98 113.45 1cye s PHE 53 Ca 0.41 1.17 0.01 0.00 0.33 0.00 0.00 56.93 58.85 1cye s PHE 53 Cb 0.27 0.37 0.05 0.00 -1.31 0.00 0.00 43.02 42.40 1cye s PHE 53 CO 0.18 -0.25 -0.09 0.08 1.83 0.00 0.00 175.22 176.97 1cye s VAL 54 N 0.63 1.67 -0.42 3.12 1.01 0.15 -1.06 120.40 125.49 1cye s VAL 54 Ca -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1cye s VAL 54 Cb -0.05 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.65 1cye s VAL 54 CO -0.10 0.07 0.19 -0.51 0.00 0.00 0.00 175.10 174.75 1cye s ILE 55 N 1.36 2.94 -0.03 2.22 2.07 -0.62 -0.41 121.20 128.73 1cye s ILE 55 Ca -0.03 -2.39 0.07 0.00 -1.41 0.00 0.00 60.65 56.89 1cye s ILE 55 Cb -0.17 -3.05 -0.02 0.00 0.13 0.00 0.00 42.46 39.35 1cye s ILE 55 CO -0.07 -0.70 -0.23 -0.55 -1.91 0.00 0.00 174.94 171.49 1cye s SER 56 N 1.18 3.32 0.06 4.50 0.15 0.05 -0.18 113.70 122.79 1cye s SER 56 Ca 0.11 -0.40 -0.31 0.00 0.70 0.00 0.00 55.95 56.06 1cye s SER 56 Cb -0.22 -0.51 -0.06 0.00 -1.71 0.00 0.00 66.02 63.52 1cye s SER 56 CO -0.05 0.32 1.23 -0.62 1.20 0.00 0.00 173.24 175.32 1cye s ASP 57 N -0.61 7.04 0.28 5.45 -1.08 0.12 -0.08 116.67 127.79 1cye s ASP 57 Ca 0.10 2.05 -0.00 0.00 -0.52 0.00 0.00 52.55 54.17 1cye s ASP 57 Cb -0.10 -2.58 0.50 0.00 -1.46 0.00 0.00 42.92 39.28 1cye s ASP 57 CO -0.00 -0.51 1.87 -0.25 0.52 0.00 0.00 175.17 176.80 1cye h TRP 58 N 6.86 1.15 -3.50 -5.34 2.91 -1.01 -2.66 115.95 114.36 1cye h TRP 58 Ca -0.41 0.03 -0.77 0.00 1.13 0.00 0.00 58.89 58.87 1cye h TRP 58 Cb 1.21 -0.37 -0.25 0.00 -0.51 0.00 0.00 29.16 29.24 1cye h TRP 58 CO 0.67 0.54 0.03 1.21 -1.03 0.00 0.00 178.44 179.86 1cye s ASN 59 N -5.83 6.56 -0.03 2.65 2.47 -1.26 -0.87 114.94 118.62 1cye s ASN 59 Ca -0.12 -2.33 0.02 0.00 0.42 0.00 0.00 52.86 50.85 1cye s ASN 59 Cb 0.21 -2.22 0.01 0.00 -1.45 0.00 0.00 41.25 37.79 1cye s ASN 59 CO 0.81 -0.70 -0.08 -0.04 -3.72 0.00 0.00 177.10 173.37 1cye s MET 60 N 0.82 0.90 0.48 0.43 -1.94 -1.25 -4.66 119.30 114.07 1cye s MET 60 Ca 0.14 -0.26 -0.23 0.00 -1.71 0.00 0.00 55.69 53.63 1cye s MET 60 Cb -0.17 -0.85 -0.08 0.00 2.01 0.00 0.00 34.83 35.75 1cye s MET 60 CO -0.05 0.07 1.24 -2.30 -0.01 0.00 0.00 175.02 173.97 1cye n PRO 61 N 3.42 1.70 0.00 2.03 -0.02 -1.26 -2.93 135.00 137.93 1cye n PRO 61 Ca -0.19 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1cye n PRO 61 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.23 0.00 -4.08 2.55 4.13 -1.26 -4.42 115.26 111.95 1cye n ASN 62 Ca 0.09 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.00 1cye n ASN 62 Cb 0.42 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.54 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 1.93 1.13 3.52 1.75 -1.26 -5.04 119.30 121.34 1cye s MET 63 Ca 0.00 -1.96 -0.13 0.00 -1.25 0.00 0.00 55.69 52.36 1cye s MET 63 Cb 0.00 -3.49 0.27 0.00 2.84 0.00 0.00 34.83 34.44 1cye s MET 63 CO 0.00 -1.05 1.04 0.16 -0.65 0.00 0.00 175.02 174.52 1cye s ASP 64 N 1.36 1.24 0.16 1.11 1.47 -1.15 -1.42 116.67 119.44 1cye s ASP 64 Ca 0.10 1.54 -0.21 0.00 1.18 0.00 0.00 52.55 55.16 1cye s ASP 64 Cb -0.22 -2.29 0.06 0.00 -0.34 0.00 0.00 42.92 40.13 1cye s ASP 64 CO -0.05 -4.04 1.63 1.23 0.68 0.00 0.00 175.17 174.62 1cye h GLY 65 N -2.51 -0.09 0.99 2.12 0.00 -0.62 0.02 103.07 102.97 1cye h GLY 65 Ca -0.60 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1cye h GLY 65 CO 0.50 -0.20 0.60 -2.00 0.00 0.00 0.00 176.54 175.44 1cye h LEU 66 N -0.21 1.04 -0.40 3.11 5.85 -1.85 -0.88 115.31 121.96 1cye h LEU 66 Ca 0.16 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1cye h LEU 66 Cb 0.46 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1cye h LEU 66 CO -0.44 0.75 0.01 -0.08 -0.34 0.00 0.00 178.44 178.33 1cye h GLU 67 N 1.22 0.70 -0.48 1.25 4.81 -1.70 -2.48 114.58 117.89 1cye h GLU 67 Ca 0.34 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1cye h GLU 67 Cb -0.12 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1cye h GLU 67 CO -0.08 0.78 0.28 1.25 -0.73 0.00 0.00 179.01 180.51 1cye h LEU 68 N 0.53 0.43 -0.38 1.64 7.12 -0.43 -1.51 115.31 122.71 1cye h LEU 68 Ca 0.11 0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.21 1cye h LEU 68 Cb 0.46 -0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.43 1cye h LEU 68 CO 0.02 0.31 -0.10 0.25 -0.13 0.00 0.00 178.44 178.79 1cye h LEU 69 N 0.55 -0.37 -0.33 2.25 6.46 -1.03 -2.25 115.31 120.60 1cye h LEU 69 Ca 0.20 0.12 0.01 0.00 -0.12 0.00 0.00 57.88 58.09 1cye h LEU 69 Cb 0.05 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1cye h LEU 69 CO -0.10 -0.13 0.19 0.11 -0.62 0.00 0.00 178.44 177.89 1cye h LYS 70 N -0.01 0.38 0.00 1.25 1.57 -0.96 -0.66 116.57 118.14 1cye h LYS 70 Ca 0.18 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1cye h LYS 70 Cb 0.28 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1cye h LYS 70 CO -0.39 0.25 -0.02 1.79 -0.57 0.00 0.00 179.45 180.51 1cye h THR 71 N 0.40 0.39 0.00 -0.16 1.35 -0.78 0.58 112.91 114.68 1cye h THR 71 Ca 0.13 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.86 1cye h THR 71 Cb -0.00 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1cye h THR 71 CO -0.06 0.02 -0.25 0.40 -0.25 0.00 0.00 175.52 175.38 1cye h ILE 72 N 0.00 0.16 -0.51 6.82 2.04 -0.82 -3.30 117.51 121.90 1cye h ILE 72 Ca -0.00 -1.14 0.10 0.00 1.00 0.00 0.00 64.86 64.82 1cye h ILE 72 Cb 0.08 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 36.38 1cye h ILE 72 CO 0.00 0.05 -0.20 0.03 0.00 0.00 0.00 178.15 178.04 1cye h ARG 73 N -1.00 -0.08 0.00 2.37 2.47 -0.82 -0.96 114.38 116.36 1cye h ARG 73 Ca -0.02 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1cye h ARG 73 Cb 0.32 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1cye h ARG 73 CO -0.01 -0.05 -0.10 0.00 0.56 0.00 0.00 179.97 180.37 1cye h ALA 74 N 1.32 0.98 -1.45 0.04 0.00 -1.12 -3.40 119.26 115.63 1cye h ALA 74 Ca 0.24 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.47 1cye h ALA 74 Cb 0.45 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1cye h ALA 74 CO -0.56 0.12 0.96 0.34 0.00 0.00 0.00 179.25 180.11 1cye s ASP 75 N -6.03 6.25 0.02 0.00 -1.08 -0.38 -4.93 116.67 110.52 1cye s ASP 75 Ca 0.03 -0.89 -0.03 0.00 -0.52 0.00 0.00 52.55 51.14 1cye s ASP 75 Cb 0.08 -2.51 -0.01 0.00 -1.46 0.00 0.00 42.92 39.02 1cye s ASP 75 CO 0.62 -1.61 0.16 0.61 0.52 0.00 0.00 175.17 175.47 1cye n GLY 76 N 5.62 -0.30 0.19 2.66 0.00 -1.26 -0.38 105.19 111.72 1cye n GLY 76 Ca 0.07 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 0.03 0.50 0.00 4.61 0.00 -1.91 -3.23 119.26 119.26 1cye h ALA 77 Ca 0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1cye h ALA 77 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1cye h ALA 77 CO -0.09 0.12 -0.39 0.52 0.00 0.00 0.00 179.25 179.41 1cye h MET 78 N 0.47 0.00 -0.67 0.00 2.86 -1.19 -3.40 114.93 112.99 1cye h MET 78 Ca 0.12 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.97 1cye h MET 78 Cb 0.23 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1cye h MET 78 CO -0.01 0.39 0.46 0.45 1.06 0.00 0.00 176.91 179.27 1cye n SER 79 N -3.25 0.04 -0.35 1.22 2.88 0.49 -1.41 113.62 113.25 1cye n SER 79 Ca 0.02 0.48 0.14 0.00 -1.33 0.00 0.00 58.87 58.18 1cye n SER 79 Cb 0.66 -0.24 0.54 0.00 -0.75 0.00 0.00 64.21 64.42 1cye n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cye n ALA 80 N -2.48 2.71 -2.38 -1.46 0.00 -1.26 -4.62 120.51 111.02 1cye n ALA 80 Ca 0.17 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 1cye n ALA 80 Cb 0.72 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.15 3.78 0.25 0.00 1.43 -0.50 -4.98 118.68 116.51 1cye s LEU 81 Ca 0.35 1.09 -0.31 0.00 -1.03 0.00 0.00 54.13 54.23 1cye s LEU 81 Cb 0.21 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.76 1cye s LEU 81 CO 0.39 -1.21 1.49 -0.81 0.23 0.00 0.00 176.35 176.44 1cye n PRO 82 N 7.60 2.29 -4.10 1.29 -0.04 -1.26 -4.79 135.00 135.99 1cye n PRO 82 Ca 0.16 0.82 -0.33 0.00 -0.04 0.00 0.00 63.50 64.10 1cye n PRO 82 Cb 0.47 -2.53 -0.16 0.00 -0.04 0.00 0.00 33.50 31.24 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 0.05 2.24 -0.36 0.52 1.01 -1.26 -0.68 120.40 121.92 1cye s VAL 83 Ca 0.68 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1cye s VAL 83 Cb -0.59 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 33.91 1cye s VAL 83 CO 0.48 0.52 0.13 -0.22 0.00 0.00 0.00 175.10 176.01 1cye s LEU 84 N 1.31 4.66 -0.52 3.92 2.96 0.45 -1.09 118.68 130.37 1cye s LEU 84 Ca 0.05 -1.58 -0.28 0.00 -0.22 0.00 0.00 54.13 52.10 1cye s LEU 84 Cb -0.13 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1cye s LEU 84 CO -0.12 -0.42 1.27 -0.04 -1.32 0.00 0.00 176.35 175.73 1cye s MET 85 N 1.26 3.52 -0.78 1.98 -1.94 -0.41 -0.77 119.30 122.16 1cye s MET 85 Ca 0.02 0.50 -0.22 0.00 -1.71 0.00 0.00 55.69 54.27 1cye s MET 85 Cb -0.21 -4.02 0.08 0.00 2.01 0.00 0.00 34.83 32.69 1cye s MET 85 CO -0.01 -1.65 1.08 0.08 -0.01 0.00 0.00 175.02 174.50 1cye s VAL 86 N 5.18 4.36 -0.15 -6.03 1.01 0.88 -0.44 120.40 125.22 1cye s VAL 86 Ca 0.50 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1cye s VAL 86 Cb -0.09 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 1cye s VAL 86 CO 0.28 -1.55 0.13 0.28 0.00 0.00 0.00 175.10 174.25 1cye s THR 87 N 3.87 5.45 0.37 3.92 -1.32 -0.04 -0.31 115.64 127.59 1cye s THR 87 Ca 0.28 0.19 0.27 0.00 -1.21 0.00 0.00 61.69 61.23 1cye s THR 87 Cb -0.11 -3.41 0.29 0.00 -1.51 0.00 0.00 72.50 67.76 1cye s THR 87 CO 0.03 0.56 2.04 0.00 -2.21 0.00 0.00 174.62 175.04 1cye h ALA 88 N 5.53 1.23 -2.29 11.08 0.00 -1.87 -1.39 119.26 131.54 1cye h ALA 88 Ca -0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1cye h ALA 88 Cb 1.20 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.74 1cye h ALA 88 CO 0.64 0.16 -0.18 -1.21 0.00 0.00 0.00 179.25 178.66 1cye s GLU 89 N -4.10 0.51 -1.20 0.00 2.02 -1.26 -4.70 118.70 109.98 1cye s GLU 89 Ca -0.02 1.10 -0.15 0.00 0.02 0.00 0.00 54.97 55.92 1cye s GLU 89 Cb 0.13 0.26 0.15 0.00 0.10 0.00 0.00 34.13 34.77 1cye s GLU 89 CO 0.59 -0.18 1.46 0.00 0.02 0.00 0.00 175.26 177.14 1cye s ALA 90 N 1.99 3.83 -0.10 5.21 0.00 -1.26 -4.89 121.76 126.53 1cye s ALA 90 Ca -0.08 -3.23 -0.01 0.00 0.00 0.00 0.00 51.96 48.65 1cye s ALA 90 Cb -0.09 -4.21 -0.03 0.00 0.00 0.00 0.00 23.12 18.80 1cye s ALA 90 CO -0.16 -2.88 -0.06 0.15 0.00 0.00 0.00 175.76 172.80 1cye s LYS 91 N 2.13 3.06 0.17 0.00 1.02 -1.26 -5.02 119.74 119.84 1cye s LYS 91 Ca 0.44 -0.55 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 1cye s LYS 91 Cb -0.02 -2.69 0.23 0.00 -0.52 0.00 0.00 37.83 34.83 1cye s LYS 91 CO 0.00 0.51 1.04 0.36 -0.92 0.00 0.00 175.35 176.35 1cye n LYS 92 N 2.69 -0.11 -0.21 1.68 -0.00 -1.26 -1.47 118.16 119.48 1cye n LYS 92 Ca -0.18 1.04 -0.08 0.00 -0.00 0.00 0.00 58.31 59.09 1cye n LYS 92 Cb 0.53 -1.54 0.02 0.00 -0.00 0.00 0.00 35.03 34.04 1cye n LYS 92 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1cye h GLU 93 N 0.00 0.89 -0.01 -1.58 -0.00 -1.99 0.00 114.58 111.90 1cye h GLU 93 Ca 0.27 -0.19 -0.15 0.00 -0.00 0.00 0.00 59.36 59.29 1cye h GLU 93 Cb 0.44 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.04 1cye h GLU 93 CO -0.68 0.80 -0.71 -2.95 -0.00 0.00 0.00 179.01 175.48 1cye h ASN 94 N 0.81 0.06 0.08 3.06 -1.07 -1.62 -1.29 115.58 115.62 1cye h ASN 94 Ca 0.19 -0.04 -0.00 0.00 0.07 0.00 0.00 56.30 56.51 1cye h ASN 94 Cb 0.27 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.50 1cye h ASN 94 CO -0.01 0.75 -0.04 0.40 0.07 0.00 0.00 177.43 178.60 1cye h ILE 95 N 0.04 0.95 -0.04 6.14 2.04 -0.85 -0.50 117.51 125.28 1cye h ILE 95 Ca -0.01 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1cye h ILE 95 Cb 1.25 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1cye h ILE 95 CO 0.10 0.03 -0.27 0.40 0.00 0.00 0.00 178.15 178.41 1cye h ILE 96 N -0.16 0.39 -0.35 -0.67 2.04 -0.82 -1.24 117.51 116.70 1cye h ILE 96 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1cye h ILE 96 Cb 0.13 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1cye h ILE 96 CO 0.02 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.18 1cye h ALA 97 N 0.45 0.33 0.40 1.87 0.00 -1.09 -1.43 119.26 119.79 1cye h ALA 97 Ca 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1cye h ALA 97 Cb 0.49 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1cye h ALA 97 CO -0.26 -0.39 -0.29 0.00 0.00 0.00 0.00 179.25 178.31 1cye h ALA 98 N 1.30 -0.68 -0.38 0.00 0.00 -0.71 -1.71 119.26 117.08 1cye h ALA 98 Ca 0.17 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1cye h ALA 98 Cb 0.23 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1cye h ALA 98 CO -0.27 -0.90 0.19 0.00 0.00 0.00 0.00 179.25 178.27 1cye h ALA 99 N -0.16 0.47 -0.30 0.00 0.00 -0.97 -1.50 119.26 116.80 1cye h ALA 99 Ca -0.04 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1cye h ALA 99 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1cye h ALA 99 CO 0.01 -0.17 -0.05 1.96 0.00 0.00 0.00 179.25 181.01 1cye h GLN 100 N 0.40 0.48 0.00 0.00 4.20 -1.15 -2.10 115.11 116.93 1cye h GLN 100 Ca 0.16 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1cye h GLN 100 Cb 0.06 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1cye h GLN 100 CO -0.11 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1cye n ALA 101 N -2.48 2.21 0.00 3.87 0.00 -0.65 -4.92 120.51 118.53 1cye n ALA 101 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1cye n ALA 101 Cb 0.26 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.18 0.53 3.68 0.00 0.00 -0.79 -4.59 105.19 105.19 1cye n GLY 102 Ca 0.06 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.60 1cye n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye n ALA 103 N 0.00 0.96 0.07 4.61 0.00 -0.59 -4.80 120.51 120.76 1cye n ALA 103 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.74 1cye n ALA 103 Cb 0.00 -2.51 0.35 0.00 0.00 0.00 0.00 19.45 17.29 1cye n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1cye h SER 104 N 9.22 0.32 -5.89 0.00 0.02 -1.45 -3.42 113.55 112.36 1cye h SER 104 Ca -0.48 -0.07 0.36 0.00 -0.84 0.00 0.00 61.79 60.76 1cye h SER 104 Cb 1.27 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.61 1cye h SER 104 CO 0.95 0.46 0.92 -0.83 -1.14 0.00 0.00 176.83 177.18 1cye s GLY 105 N -3.98 -0.37 -0.05 -3.77 0.00 -0.97 -4.65 107.32 93.52 1cye s GLY 105 Ca -0.06 0.61 -0.05 0.00 0.00 0.00 0.00 44.72 45.22 1cye s GLY 105 CO 0.75 1.90 0.14 -2.52 0.00 0.00 0.00 173.10 173.37 1cye s TYR 106 N -2.16 -0.15 -0.11 1.90 1.13 -1.26 -1.29 117.35 115.40 1cye s TYR 106 Ca 0.19 0.37 0.03 0.00 -1.41 0.00 0.00 57.07 56.25 1cye s TYR 106 Cb 0.04 0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.96 1cye s TYR 106 CO -0.04 -0.08 -0.19 0.54 -2.51 0.00 0.00 175.55 173.26 1cye s VAL 107 N 0.03 1.78 -0.01 -3.49 0.11 0.42 -4.91 120.40 114.32 1cye s VAL 107 Ca -0.00 -0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 57.99 1cye s VAL 107 Cb -0.01 -1.58 -0.05 0.00 -1.53 0.00 0.00 36.38 33.21 1cye s VAL 107 CO 0.00 0.50 0.69 0.54 -3.33 0.00 0.00 175.10 173.50 1cye s VAL 108 N 0.72 4.91 -0.02 2.04 0.11 -1.26 -0.86 120.40 126.05 1cye s VAL 108 Ca -0.11 1.45 -0.16 0.00 -2.93 0.00 0.00 61.98 60.22 1cye s VAL 108 Cb -0.16 -4.03 -0.06 0.00 -1.53 0.00 0.00 36.38 30.60 1cye s VAL 108 CO 0.02 0.33 0.45 -1.59 -3.33 0.00 0.00 175.10 170.98 1cye s LYS 109 N 0.26 4.07 0.24 1.54 -2.85 -0.52 -3.23 119.74 119.26 1cye s LYS 109 Ca 0.36 0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 55.51 1cye s LYS 109 Cb -0.19 -3.27 -0.09 0.00 -2.06 0.00 0.00 37.83 32.22 1cye s LYS 109 CO 0.19 0.56 1.02 -1.25 0.10 0.00 0.00 175.35 175.97 1cye s PRO 110 N -0.68 4.74 0.07 1.78 0.04 -1.26 -4.82 135.00 134.86 1cye s PRO 110 Ca 0.25 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.99 1cye s PRO 110 Cb -0.17 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1cye s PRO 110 CO 0.14 0.34 -0.18 -0.59 0.04 0.00 0.00 177.00 176.74 1cye s PHE 111 N -1.03 1.58 0.50 0.56 -0.71 -1.20 -5.14 117.98 112.54 1cye s PHE 111 Ca 0.43 -0.40 0.09 0.00 -1.04 0.00 0.00 56.93 56.01 1cye s PHE 111 Cb -0.29 -0.91 0.05 0.00 -1.21 0.00 0.00 43.02 40.67 1cye s PHE 111 CO 0.36 0.12 0.67 0.95 -1.34 0.00 0.00 175.22 175.98 1cye s THR 112 N -1.02 2.55 0.34 -4.49 -4.23 -1.26 -4.91 115.64 102.62 1cye s THR 112 Ca 0.04 -1.02 0.08 0.00 -1.18 0.00 0.00 61.69 59.62 1cye s THR 112 Cb -0.09 -2.56 0.32 0.00 1.34 0.00 0.00 72.50 71.50 1cye s THR 112 CO 0.03 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.95 1cye h ALA 113 N 0.42 1.79 -0.11 3.99 0.00 -1.99 -0.28 119.26 123.09 1cye h ALA 113 Ca -0.35 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1cye h ALA 113 Cb 1.28 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1cye h ALA 113 CO 0.43 -0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.57 1cye h ALA 114 N 1.60 0.16 -0.28 0.00 0.00 -1.96 0.59 119.26 119.36 1cye h ALA 114 Ca 0.48 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1cye h ALA 114 Cb 0.77 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1cye h ALA 114 CO -0.25 -0.07 0.12 1.15 0.00 0.00 0.00 179.25 180.21 1cye h THR 115 N -0.12 0.96 -0.01 0.00 2.02 -1.77 -1.50 112.91 112.49 1cye h THR 115 Ca 0.03 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1cye h THR 115 Cb 0.50 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1cye h THR 115 CO 0.02 0.05 -0.14 0.25 0.37 0.00 0.00 175.52 176.06 1cye h LEU 116 N 0.27 -0.42 -0.68 2.58 5.85 -0.93 -2.59 115.31 119.38 1cye h LEU 116 Ca 0.12 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1cye h LEU 116 Cb 0.06 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1cye h LEU 116 CO -0.10 -0.20 0.35 -0.08 -0.34 0.00 0.00 178.44 178.07 1cye h GLU 117 N -0.24 0.61 -0.66 1.25 4.81 -0.46 -1.73 114.58 118.17 1cye h GLU 117 Ca 0.05 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1cye h GLU 117 Cb 0.30 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1cye h GLU 117 CO -0.15 0.41 0.39 0.93 -0.73 0.00 0.00 179.01 179.86 1cye h GLU 118 N 0.63 0.72 -0.35 1.92 5.08 -0.90 -1.67 114.58 120.02 1cye h GLU 118 Ca 0.32 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1cye h GLU 118 Cb 0.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1cye h GLU 118 CO -0.22 0.48 0.09 0.87 -1.00 0.00 0.00 179.01 179.22 1cye h LYS 119 N 0.74 0.55 -0.34 2.33 1.79 -1.08 -2.67 116.57 117.89 1cye h LYS 119 Ca 0.28 -0.13 0.06 0.00 -2.18 0.00 0.00 60.65 58.68 1cye h LYS 119 Cb 0.10 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.62 1cye h LYS 119 CO -0.14 0.60 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.73 1cye h LEU 120 N 0.41 -0.20 0.06 2.94 3.38 -0.82 -1.80 115.31 119.27 1cye h LEU 120 Ca 0.11 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1cye h LEU 120 Cb 0.30 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1cye h LEU 120 CO 0.00 -0.06 -0.30 0.78 0.09 0.00 0.00 178.44 178.95 1cye h ASN 121 N 0.06 -0.88 -0.59 -0.43 2.35 -1.14 -0.74 115.58 114.20 1cye h ASN 121 Ca 0.16 0.11 0.11 0.00 -0.55 0.00 0.00 56.30 56.14 1cye h ASN 121 Cb 0.24 0.35 -0.09 0.00 0.05 0.00 0.00 38.32 38.87 1cye h ASN 121 CO -0.30 -0.38 0.12 0.50 -1.65 0.00 0.00 177.43 175.72 1cye h LYS 122 N -0.48 0.24 0.21 0.81 3.64 -1.11 0.02 116.57 119.90 1cye h LYS 122 Ca 0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1cye h LYS 122 Cb 0.54 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1cye h LYS 122 CO -0.22 0.16 -0.10 0.82 -2.27 0.00 0.00 179.45 177.84 1cye h ILE 123 N 0.25 0.81 -0.67 2.00 2.04 -0.93 -2.70 117.51 118.32 1cye h ILE 123 Ca 0.31 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 66.15 1cye h ILE 123 Cb 0.46 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1cye h ILE 123 CO -0.40 0.02 0.34 -0.26 0.00 0.00 0.00 178.15 177.85 1cye h PHE 124 N -0.33 0.62 -0.88 1.37 0.04 -0.28 -1.88 116.94 115.60 1cye h PHE 124 Ca -0.03 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.83 1cye h PHE 124 Cb 0.25 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.16 1cye h PHE 124 CO -0.05 0.26 0.55 0.93 -0.60 0.00 0.00 178.31 179.40 1cye h GLU 125 N 0.62 0.96 0.02 1.51 5.08 -0.78 -0.24 114.58 121.75 1cye h GLU 125 Ca 0.31 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1cye h GLU 125 Cb 0.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1cye h GLU 125 CO -0.22 0.64 -0.01 0.87 -1.00 0.00 0.00 179.01 179.29 1cye h LYS 126 N 0.99 -0.02 0.00 2.33 1.57 -1.05 -2.91 116.57 117.48 1cye h LYS 126 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1cye h LYS 126 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1cye h LYS 126 CO -0.18 0.20 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 1cye n LEU 127 N -4.99 0.00 0.00 2.94 4.77 -0.64 -4.88 117.00 114.20 1cye n LEU 127 Ca -0.08 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1cye n LEU 127 Cb 0.14 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1cye n LEU 127 CO 0.33 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1cye n GLY 128 N -0.11 2.74 0.00 -0.72 0.00 -0.46 -5.06 105.19 101.58 1cye n GLY 128 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35