#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y14 s PHE 2 N 0.00 3.58 0.20 1.12 0.40 -1.26 -1.23 117.98 120.79 1y14 s PHE 2 Ca 0.00 0.52 -0.00 0.00 -0.60 0.00 0.00 56.93 56.84 1y14 s PHE 2 Cb 0.00 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1y14 s PHE 2 CO 0.00 0.73 0.10 -0.06 0.70 0.00 0.00 175.22 176.69 1y14 s PHE 3 N -1.02 1.18 -0.20 0.36 0.40 0.04 -4.99 117.98 113.75 1y14 s PHE 3 Ca 0.15 -1.29 -0.02 0.00 -0.60 0.00 0.00 56.93 55.17 1y14 s PHE 3 Cb -0.12 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.79 1y14 s PHE 3 CO 0.04 -0.53 -0.11 0.42 0.70 0.00 0.00 175.22 175.75 1y14 s ILE 4 N -4.02 2.89 -0.00 0.64 1.01 -1.26 -0.85 121.20 119.61 1y14 s ILE 4 Ca 0.35 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1y14 s ILE 4 Cb 0.07 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 1y14 s ILE 4 CO 0.10 0.47 -0.18 -0.75 0.00 0.00 0.00 174.94 174.59 1y14 s LYS 5 N 1.29 1.38 -0.17 2.79 2.47 -0.10 -4.93 119.74 122.48 1y14 s LYS 5 Ca 0.04 -0.68 -0.26 0.00 -1.56 0.00 0.00 55.97 53.51 1y14 s LYS 5 Cb -0.14 -1.36 -0.01 0.00 -1.46 0.00 0.00 37.83 34.86 1y14 s LYS 5 CO -0.05 0.37 0.88 -0.51 0.16 0.00 0.00 175.35 176.19 1y14 s ASP 6 N -0.56 7.01 0.41 1.43 1.01 -1.26 -1.88 116.67 122.84 1y14 s ASP 6 Ca 0.06 1.25 0.04 0.00 0.71 0.00 0.00 52.55 54.61 1y14 s ASP 6 Cb -0.07 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 1y14 s ASP 6 CO -0.00 -0.43 0.16 -0.76 0.21 0.00 0.00 175.17 174.34 1y14 s LEU 7 N 2.23 1.96 -0.05 1.23 1.43 0.65 -5.00 118.68 121.13 1y14 s LEU 7 Ca 0.40 -1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 51.51 1y14 s LEU 7 Cb -0.17 -0.00 0.06 0.00 0.03 0.00 0.00 46.19 46.11 1y14 s LEU 7 CO 0.13 -0.98 0.60 -0.94 0.23 0.00 0.00 176.35 175.39 1y14 s SER 8 N -3.60 -0.57 -0.00 2.29 1.04 -1.26 -1.31 113.70 110.29 1y14 s SER 8 Ca 0.24 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1y14 s SER 8 Cb 0.02 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1y14 s SER 8 CO 0.16 -0.55 -0.00 -0.22 0.98 0.00 0.00 173.24 173.61 1y14 s LEU 9 N -1.12 1.85 -0.20 2.42 2.96 -0.74 -4.98 118.68 118.87 1y14 s LEU 9 Ca -0.11 -0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.62 1y14 s LEU 9 Cb -0.01 -0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.59 1y14 s LEU 9 CO 0.08 -0.01 0.49 0.20 -1.32 0.00 0.00 176.35 175.79 1y14 s ASN 10 N 0.17 6.54 -0.12 3.68 0.01 -1.26 -1.22 114.94 122.73 1y14 s ASN 10 Ca -0.01 0.64 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 1y14 s ASN 10 Cb -0.02 -2.28 -0.01 0.00 0.41 0.00 0.00 41.25 39.34 1y14 s ASN 10 CO -0.00 -0.16 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.64 1y14 s ILE 11 N 1.56 2.83 -0.41 0.60 1.01 -0.29 -4.98 121.20 121.52 1y14 s ILE 11 Ca 0.23 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 1y14 s ILE 11 Cb -0.15 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.16 1y14 s ILE 11 CO 0.09 0.53 0.51 -0.89 0.00 0.00 0.00 174.94 175.18 1y14 s THR 12 N 0.34 5.00 -0.09 2.92 2.01 -1.26 -1.92 115.64 122.64 1y14 s THR 12 Ca -0.13 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1y14 s THR 12 Cb -0.16 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.30 1y14 s THR 12 CO 0.06 -0.42 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.23 1y14 s LEU 13 N 2.37 1.61 0.06 4.42 2.96 -1.26 -5.05 118.68 123.79 1y14 s LEU 13 Ca 0.16 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1y14 s LEU 13 Cb -0.16 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 1y14 s LEU 13 CO 0.15 0.01 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.07 1y14 s HIS 14 N 0.92 1.04 0.00 5.38 3.76 -1.26 -4.95 115.29 120.18 1y14 s HIS 14 Ca -0.09 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 1y14 s HIS 14 Cb -0.15 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 32.95 1y14 s HIS 14 CO 0.00 0.01 0.00 -2.30 -0.85 0.00 0.00 174.74 171.61 1y14 n PRO 15 N 1.33 0.00 -0.54 8.40 -0.02 -1.26 -2.58 135.00 140.33 1y14 n PRO 15 Ca -0.22 0.00 0.45 0.00 -2.02 0.00 0.00 63.50 61.71 1y14 n PRO 15 Cb 0.54 0.00 0.72 0.00 -0.02 0.00 0.00 33.50 34.74 1y14 n PRO 15 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1y14 h SER 16 N 0.00 0.00 0.00 2.55 0.02 -2.04 -2.47 113.55 111.60 1y14 h SER 16 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1y14 h SER 16 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1y14 h SER 16 CO 0.00 0.00 -1.36 0.49 -1.14 0.00 0.00 176.83 174.82 1y14 n PHE 17 N -3.76 0.00 -0.66 3.45 3.01 -1.07 -5.07 117.46 113.36 1y14 n PHE 17 Ca 0.37 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.60 1y14 n PHE 17 Cb 1.82 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 41.02 1y14 n PHE 17 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y14 n PHE 18 N -2.22 -0.13 -0.88 1.38 0.99 -0.93 -4.68 117.46 110.98 1y14 n PHE 18 Ca -0.09 0.46 0.00 0.00 -0.00 0.00 0.00 57.45 57.82 1y14 n PHE 18 Cb 0.67 -0.93 0.00 0.00 -1.00 0.00 0.00 39.48 38.22 1y14 n PHE 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1y14 n GLY 19 N 0.89 -2.58 0.47 1.37 0.00 -1.26 -4.94 105.19 99.15 1y14 n GLY 19 Ca 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1y14 n GLY 19 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y14 n PRO 20 N -0.76 0.76 0.00 1.61 -0.02 -1.26 -2.73 135.00 132.60 1y14 n PRO 20 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1y14 n PRO 20 Cb 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1y14 n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1y14 n ARG 21 N 0.08 -0.03 0.22 -0.52 5.12 -1.26 -4.84 116.66 115.43 1y14 n ARG 21 Ca 0.00 -0.11 0.15 0.00 -1.93 0.00 0.00 57.85 55.96 1y14 n ARG 21 Cb 0.18 -0.57 0.79 0.00 -1.16 0.00 0.00 32.46 31.70 1y14 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1y14 h MET 22 N 0.00 0.00 0.01 5.56 -0.00 -1.79 -1.90 114.93 116.81 1y14 h MET 22 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 1y14 h MET 22 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1y14 h MET 22 CO 0.00 0.00 -0.12 0.87 -0.00 0.00 0.00 176.91 177.66 1y14 h LYS 23 N 0.00 0.06 0.00 -0.10 1.57 -1.88 -1.01 116.57 115.20 1y14 h LYS 23 Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1y14 h LYS 23 Cb 0.05 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1y14 h LYS 23 CO 0.00 0.94 -0.05 0.37 -0.57 0.00 0.00 179.45 180.14 1y14 h GLN 24 N -0.79 0.00 0.23 3.15 4.15 -1.75 -1.50 115.11 118.59 1y14 h GLN 24 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1y14 h GLN 24 Cb 0.99 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1y14 h GLN 24 CO 0.02 0.05 -0.11 -0.92 -1.93 0.00 0.00 178.83 175.94 1y14 h TYR 25 N 0.00 -0.28 -0.97 3.99 3.20 -1.36 -2.08 116.97 119.47 1y14 h TYR 25 Ca -0.00 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.05 1y14 h TYR 25 Cb 0.09 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.37 1y14 h TYR 25 CO 0.00 0.10 0.61 -0.07 -1.64 0.00 0.00 178.16 177.16 1y14 h LEU 26 N -0.85 0.66 -0.01 2.82 3.38 -0.79 0.03 115.31 120.55 1y14 h LEU 26 Ca -0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1y14 h LEU 26 Cb 0.51 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1y14 h LEU 26 CO 0.05 0.26 -0.00 0.11 0.09 0.00 0.00 178.44 178.95 1y14 h LYS 27 N 0.66 0.03 -0.94 1.13 1.57 -1.27 0.19 116.57 117.94 1y14 h LYS 27 Ca 0.53 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.43 1y14 h LYS 27 Cb 0.96 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.18 1y14 h LYS 27 CO -0.29 0.37 0.56 1.15 -0.57 0.00 0.00 179.45 180.67 1y14 h THR 28 N -0.32 0.86 -0.11 -0.16 2.02 -0.49 0.96 112.91 115.67 1y14 h THR 28 Ca 0.00 -0.30 -0.17 0.00 0.77 0.00 0.00 66.41 66.72 1y14 h THR 28 Cb 0.36 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1y14 h THR 28 CO 0.00 0.16 -0.65 0.11 0.37 0.00 0.00 175.52 175.51 1y14 h LYS 29 N 0.86 0.44 0.23 6.66 1.57 -0.89 -2.05 116.57 123.40 1y14 h LYS 29 Ca 0.48 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1y14 h LYS 29 Cb 0.53 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1y14 h LYS 29 CO -0.29 0.95 -0.21 1.25 -0.57 0.00 0.00 179.45 180.58 1y14 h LEU 30 N 0.32 -0.54 -1.57 2.94 5.85 0.17 -1.51 115.31 120.97 1y14 h LEU 30 Ca -0.02 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1y14 h LEU 30 Cb 1.21 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1y14 h LEU 30 CO 0.11 -0.31 0.35 -0.07 -0.34 0.00 0.00 178.44 178.19 1y14 h LEU 31 N -0.46 0.48 -0.10 2.25 3.38 -1.06 -1.72 115.31 118.07 1y14 h LEU 31 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y14 h LEU 31 Cb 0.42 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1y14 h LEU 31 CO -0.03 0.32 0.05 -0.33 0.09 0.00 0.00 178.44 178.54 1y14 h GLU 32 N 0.55 0.15 0.07 1.13 5.08 -0.62 -2.57 114.58 118.37 1y14 h GLU 32 Ca 0.22 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.31 1y14 h GLU 32 Cb 0.18 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1y14 h GLU 32 CO -0.06 0.24 -1.08 0.93 -1.00 0.00 0.00 179.01 178.03 1y14 h GLU 33 N 0.03 0.26 0.00 2.33 5.08 -0.91 -3.41 114.58 117.96 1y14 h GLU 33 Ca 0.04 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 1y14 h GLU 33 Cb 0.14 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1y14 h GLU 33 CO -0.00 1.12 -1.66 1.33 -1.00 0.00 0.00 179.01 178.80 1y14 n VAL 34 N -3.59 0.60 -2.40 3.13 0.24 -0.68 -4.76 118.33 110.87 1y14 n VAL 34 Ca -0.06 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 1y14 n VAL 34 Cb 0.93 -0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 1y14 n VAL 34 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1y14 s GLU 35 N -2.30 4.31 0.00 7.34 2.12 -0.97 -1.92 118.70 127.28 1y14 s GLU 35 Ca -0.05 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.02 1y14 s GLU 35 Cb 0.03 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1y14 s GLU 35 CO 0.41 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1y14 n GLY 36 N 3.48 0.70 3.94 -1.50 0.00 0.18 -4.86 105.19 107.13 1y14 n GLY 36 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1y14 n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y14 s SER 37 N -2.96 5.07 -0.10 1.61 1.04 -0.81 -4.92 113.70 112.63 1y14 s SER 37 Ca 0.00 0.39 -0.13 0.00 0.48 0.00 0.00 55.95 56.69 1y14 s SER 37 Cb 0.00 -1.17 0.03 0.00 0.10 0.00 0.00 66.02 64.98 1y14 s SER 37 CO 0.00 -1.39 0.34 0.00 0.98 0.00 0.00 173.24 173.17 1y14 s THR 39 N -0.23 0.11 0.17 0.00 -4.23 -0.62 -4.28 115.64 106.57 1y14 s THR 39 Ca -0.04 -0.93 -0.14 0.00 -1.18 0.00 0.00 61.69 59.40 1y14 s THR 39 Cb -0.03 -0.43 0.06 0.00 1.34 0.00 0.00 72.50 73.44 1y14 s THR 39 CO 0.02 -0.51 1.82 1.23 -0.54 0.00 0.00 174.62 176.64 1y14 h GLY 40 N 4.39 0.69 1.00 3.99 0.00 -1.29 0.20 103.07 112.05 1y14 h GLY 40 Ca -0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1y14 h GLY 40 CO 0.43 0.22 -0.19 1.70 0.00 0.00 0.00 176.54 178.70 1y14 h LYS 41 N 0.62 -0.50 0.00 4.80 3.64 -1.86 -3.36 116.57 119.91 1y14 h LYS 41 Ca 0.19 0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.44 1y14 h LYS 41 Cb -0.03 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1y14 h LYS 41 CO -0.07 -0.33 -2.12 1.19 -2.27 0.00 0.00 179.45 175.86 1y14 n PHE 42 N -5.31 0.07 0.00 1.91 3.72 -1.22 -5.11 117.46 111.52 1y14 n PHE 42 Ca -0.11 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1y14 n PHE 42 Cb 0.22 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 1y14 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y14 n GLY 43 N 1.47 -0.14 3.67 1.37 0.00 0.06 -4.65 105.19 106.98 1y14 n GLY 43 Ca -0.17 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1y14 n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y14 s TYR 44 N 0.00 3.39 -0.84 1.61 1.51 0.62 -1.58 117.35 122.06 1y14 s TYR 44 Ca 0.00 0.82 -0.17 0.00 -1.01 0.00 0.00 57.07 56.71 1y14 s TYR 44 Cb 0.00 -2.68 0.16 0.00 -0.11 0.00 0.00 41.96 39.32 1y14 s TYR 44 CO 0.00 -0.08 0.94 0.42 -1.11 0.00 0.00 175.55 175.72 1y14 s ILE 45 N 1.55 5.04 0.03 2.71 1.01 -0.62 -1.13 121.20 129.79 1y14 s ILE 45 Ca 0.25 -1.79 -0.16 0.00 0.00 0.00 0.00 60.65 58.95 1y14 s ILE 45 Cb -0.15 -4.63 -0.31 0.00 0.01 0.00 0.00 42.46 37.38 1y14 s ILE 45 CO 0.10 -1.29 1.05 -0.07 0.00 0.00 0.00 174.94 174.74 1y14 h LEU 46 N 9.44 0.81 -6.95 2.97 3.38 -1.67 0.55 115.31 123.85 1y14 h LEU 46 Ca 0.07 -0.86 -0.02 0.00 0.09 0.00 0.00 57.88 57.16 1y14 h LEU 46 Cb 1.04 -0.26 -0.24 0.00 0.09 0.00 0.00 40.66 41.29 1y14 h LEU 46 CO 0.98 1.59 -0.28 0.00 0.09 0.00 0.00 178.44 180.82 1y14 s VAL 48 N 2.73 3.63 0.38 0.00 1.01 -1.26 -1.35 120.40 125.55 1y14 s VAL 48 Ca -0.01 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.42 1y14 s VAL 48 Cb -0.12 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1y14 s VAL 48 CO -0.16 0.22 0.41 -0.76 0.00 0.00 0.00 175.10 174.82 1y14 s LEU 49 N -0.23 3.59 -1.18 3.92 1.43 -0.25 -4.74 118.68 121.22 1y14 s LEU 49 Ca 0.52 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 1y14 s LEU 49 Cb -0.32 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.57 1y14 s LEU 49 CO 0.36 -0.57 0.73 -0.67 0.23 0.00 0.00 176.35 176.43 1y14 n ASP 50 N -1.59 -4.58 -0.13 2.29 2.03 -1.26 -4.58 116.55 108.72 1y14 n ASP 50 Ca 0.03 -1.10 -0.08 0.00 0.52 0.00 0.00 54.79 54.16 1y14 n ASP 50 Cb 0.60 -2.87 -0.02 0.00 -0.72 0.00 0.00 41.12 38.11 1y14 n ASP 50 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1y14 h TYR 51 N -2.10 -0.96 0.00 -0.67 3.20 -1.97 -1.19 116.97 113.28 1y14 h TYR 51 Ca -0.68 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.25 1y14 h TYR 51 Cb 1.37 0.48 0.00 0.00 1.54 0.00 0.00 36.73 40.13 1y14 h TYR 51 CO 0.36 -0.39 0.02 -0.25 -1.64 0.00 0.00 178.16 176.25 1y14 n ASP 52 N -5.42 0.00 -0.06 -2.11 8.00 -1.26 -2.59 116.55 113.11 1y14 n ASP 52 Ca 0.01 0.38 0.03 0.00 0.71 0.00 0.00 54.79 55.92 1y14 n ASP 52 Cb 0.34 -0.38 0.05 0.00 -0.02 0.00 0.00 41.12 41.12 1y14 n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1y14 n ASN 53 N -1.37 1.75 -4.67 -2.24 3.02 -0.46 -5.04 115.26 106.25 1y14 n ASN 53 Ca 0.00 -2.27 -0.47 0.00 -0.03 0.00 0.00 54.58 51.82 1y14 n ASN 53 Cb 0.02 -0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 1y14 n ASN 53 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1y14 n ILE 54 N -0.73 0.26 -2.73 2.41 5.41 -1.07 -4.90 119.36 118.01 1y14 n ILE 54 Ca 0.05 -0.05 -0.43 0.00 1.00 0.00 0.00 62.75 63.33 1y14 n ILE 54 Cb 0.44 -1.71 -0.03 0.00 -0.71 0.00 0.00 39.64 37.63 1y14 n ILE 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1y14 s ASP 55 N 2.30 6.52 0.00 4.38 2.15 -0.88 -4.96 116.67 126.18 1y14 s ASP 55 Ca 0.85 0.18 0.00 0.00 0.43 0.00 0.00 52.55 54.01 1y14 s ASP 55 Cb -0.67 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.46 1y14 s ASP 55 CO 0.43 -1.17 0.00 -0.38 -0.17 0.00 0.00 175.17 173.88 1y14 n ILE 56 N 6.56 0.00 0.00 4.11 5.41 -1.26 -0.34 119.36 133.84 1y14 n ILE 56 Ca 0.08 0.33 0.00 0.00 1.00 0.00 0.00 62.75 64.15 1y14 n ILE 56 Cb 0.49 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 1y14 n ILE 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y14 n GLN 57 N -1.69 0.00 -3.66 0.38 10.64 -1.26 -4.17 117.38 117.62 1y14 n GLN 57 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 1y14 n GLN 57 Cb 0.00 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.29 1y14 n GLN 57 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1y14 s PHE 70 N 0.00 -0.82 -0.45 2.61 0.40 -0.81 -5.09 117.98 113.82 1y14 s PHE 70 Ca 0.00 1.56 -0.19 0.00 -0.60 0.00 0.00 56.93 57.70 1y14 s PHE 70 Cb 0.00 0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.90 1y14 s PHE 70 CO 0.00 -0.48 0.58 1.21 0.70 0.00 0.00 175.22 177.23 1y14 s ASN 71 N 2.53 6.26 -0.20 1.36 3.84 -1.26 -1.14 114.94 126.34 1y14 s ASN 71 Ca -0.03 -0.58 -0.17 0.00 0.21 0.00 0.00 52.86 52.29 1y14 s ASN 71 Cb -0.12 -2.28 -0.04 0.00 -0.55 0.00 0.00 41.25 38.26 1y14 s ASN 71 CO -0.13 -0.75 0.47 -0.69 -2.79 0.00 0.00 177.10 173.21 1y14 s VAL 72 N 2.58 5.14 0.01 -5.21 1.01 -0.36 -4.70 120.40 118.86 1y14 s VAL 72 Ca 0.18 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 1y14 s VAL 72 Cb -0.16 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1y14 s VAL 72 CO 0.16 0.21 0.28 -0.54 0.00 0.00 0.00 175.10 175.21 1y14 s LYS 73 N 1.47 3.61 0.14 2.72 1.02 0.53 -1.78 119.74 127.45 1y14 s LYS 73 Ca 0.22 -0.03 -0.25 0.00 0.02 0.00 0.00 55.97 55.94 1y14 s LYS 73 Cb -0.15 -3.09 0.06 0.00 -0.52 0.00 0.00 37.83 34.14 1y14 s LYS 73 CO 0.09 0.65 0.85 1.52 -0.92 0.00 0.00 175.35 177.54 1y14 s TYR 74 N -1.28 -0.24 0.16 3.18 -0.85 -0.43 -2.08 117.35 115.81 1y14 s TYR 74 Ca 0.27 -0.04 0.09 0.00 -0.52 0.00 0.00 57.07 56.87 1y14 s TYR 74 Cb -0.13 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 1y14 s TYR 74 CO 0.15 -0.85 -0.16 1.03 -1.52 0.00 0.00 175.55 174.20 1y14 s ARG 75 N -3.43 1.83 0.09 -3.49 0.52 -1.26 -0.25 118.95 112.95 1y14 s ARG 75 Ca 0.09 -1.29 -0.20 0.00 -0.52 0.00 0.00 55.73 53.81 1y14 s ARG 75 Cb -0.02 -2.07 0.05 0.00 0.52 0.00 0.00 34.95 33.42 1y14 s ARG 75 CO -0.01 0.44 0.47 0.00 0.02 0.00 0.00 175.30 176.23 1y14 s ALA 76 N -1.48 -1.18 -0.33 2.13 0.00 -0.79 -1.09 121.76 119.03 1y14 s ALA 76 Ca 0.21 0.30 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 1y14 s ALA 76 Cb -0.09 0.57 -0.00 0.00 0.00 0.00 0.00 23.12 23.60 1y14 s ALA 76 CO 0.12 -0.59 0.70 0.08 0.00 0.00 0.00 175.76 176.07 1y14 s VAL 77 N -3.16 4.85 0.19 0.00 1.01 -0.46 -0.92 120.40 121.92 1y14 s VAL 77 Ca -0.01 0.89 0.09 0.00 0.00 0.00 0.00 61.98 62.95 1y14 s VAL 77 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1y14 s VAL 77 CO -0.07 -0.26 -0.10 0.68 0.00 0.00 0.00 175.10 175.35 1y14 s VAL 78 N 2.81 3.16 -0.06 2.92 -7.23 -0.03 -1.98 120.40 119.99 1y14 s VAL 78 Ca 0.28 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1y14 s VAL 78 Cb -0.14 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1y14 s VAL 78 CO 0.13 -0.14 -0.16 0.12 -0.31 0.00 0.00 175.10 174.74 1y14 s PHE 79 N -1.78 1.73 -0.20 2.82 5.36 -0.29 -0.78 117.98 124.83 1y14 s PHE 79 Ca 0.25 -0.59 -0.08 0.00 -0.96 0.00 0.00 56.93 55.56 1y14 s PHE 79 Cb -0.08 -1.20 0.09 0.00 -0.34 0.00 0.00 43.02 41.49 1y14 s PHE 79 CO 0.15 -0.25 0.44 0.21 -1.46 0.00 0.00 175.22 174.32 1y14 s LYS 80 N 0.33 0.36 0.45 10.12 2.20 -0.37 -0.27 119.74 132.56 1y14 s LYS 80 Ca -0.10 1.03 -0.22 0.00 -0.36 0.00 0.00 55.97 56.32 1y14 s LYS 80 Cb -0.14 0.31 -0.08 0.00 -1.51 0.00 0.00 37.83 36.40 1y14 s LYS 80 CO 0.04 -0.23 1.06 -1.25 -0.36 0.00 0.00 175.35 174.61 1y14 s PRO 81 N 2.40 3.92 -0.01 4.03 0.04 -1.26 -1.44 135.00 142.69 1y14 s PRO 81 Ca -0.04 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.55 1y14 s PRO 81 Cb -0.11 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1y14 s PRO 81 CO -0.13 -0.35 -0.19 -0.06 0.04 0.00 0.00 177.00 176.31 1y14 s PHE 82 N -1.78 1.67 0.26 0.56 0.40 -1.26 -4.86 117.98 112.98 1y14 s PHE 82 Ca 0.63 -0.32 -0.31 0.00 -0.60 0.00 0.00 56.93 56.33 1y14 s PHE 82 Cb -0.21 -1.07 -0.12 0.00 0.51 0.00 0.00 43.02 42.13 1y14 s PHE 82 CO 0.25 -0.02 1.57 1.17 0.70 0.00 0.00 175.22 178.90 1y14 n LYS 83 N 2.55 2.53 0.00 0.44 4.81 -1.26 -1.28 118.16 125.94 1y14 n LYS 83 Ca -0.15 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1y14 n LYS 83 Cb 0.54 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.92 1y14 n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y14 n GLY 84 N 2.54 1.11 3.75 3.14 0.00 0.32 -5.02 105.19 111.02 1y14 n GLY 84 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1y14 n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y14 s GLU 85 N -0.67 4.58 -0.19 1.61 2.12 -0.40 -4.73 118.70 121.03 1y14 s GLU 85 Ca 0.00 1.79 -0.09 0.00 0.36 0.00 0.00 54.97 57.03 1y14 s GLU 85 Cb 0.00 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1y14 s GLU 85 CO 0.00 0.08 0.10 0.08 -0.54 0.00 0.00 175.26 174.98 1y14 s VAL 86 N -0.52 5.13 0.08 3.70 1.01 -1.26 -0.48 120.40 128.05 1y14 s VAL 86 Ca 0.48 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1y14 s VAL 86 Cb -0.31 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1y14 s VAL 86 CO 0.38 0.46 -0.06 0.68 0.00 0.00 0.00 175.10 176.56 1y14 s VAL 87 N 0.26 0.54 -0.02 2.92 -7.23 0.20 -4.98 120.40 112.09 1y14 s VAL 87 Ca 0.06 -1.77 -0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1y14 s VAL 87 Cb -0.12 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1y14 s VAL 87 CO -0.01 -0.84 0.04 -1.81 -0.31 0.00 0.00 175.10 172.18 1y14 s ASP 88 N -2.79 5.45 0.35 4.85 1.01 -1.26 -0.60 116.67 123.67 1y14 s ASP 88 Ca 0.07 0.11 -0.11 0.00 0.71 0.00 0.00 52.55 53.33 1y14 s ASP 88 Cb 0.04 -1.53 0.04 0.00 1.01 0.00 0.00 42.92 42.48 1y14 s ASP 88 CO -0.05 0.30 0.66 0.61 0.21 0.00 0.00 175.17 176.90 1y14 n GLY 89 N 1.48 1.31 3.33 0.21 0.00 -0.13 -4.82 105.19 106.57 1y14 n GLY 89 Ca -0.15 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1y14 n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y14 s THR 90 N -2.31 2.61 0.03 2.61 2.01 -1.05 -0.46 115.64 119.07 1y14 s THR 90 Ca 0.17 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1y14 s THR 90 Cb -0.04 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.37 1y14 s THR 90 CO 0.13 0.55 1.63 -0.69 -0.69 0.00 0.00 174.62 175.55 1y14 s VAL 91 N 0.06 3.26 -0.18 3.82 1.01 -0.20 -0.10 120.40 128.07 1y14 s VAL 91 Ca -0.08 0.61 0.15 0.00 0.00 0.00 0.00 61.98 62.66 1y14 s VAL 91 Cb -0.15 -3.39 -0.24 0.00 0.00 0.00 0.00 36.38 32.60 1y14 s VAL 91 CO 0.05 -0.02 0.15 0.52 0.00 0.00 0.00 175.10 175.81 1y14 n VAL 92 N 4.92 1.44 -3.57 2.92 0.31 0.13 -1.17 118.33 123.31 1y14 n VAL 92 Ca 0.16 -0.82 -0.13 0.00 -0.01 0.00 0.00 64.34 63.54 1y14 n VAL 92 Cb 0.41 -0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 32.62 1y14 n VAL 92 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1y14 s SER 93 N -5.72 -0.49 0.18 4.52 1.04 -1.23 -4.89 113.70 107.13 1y14 s SER 93 Ca -0.12 0.62 0.11 0.00 0.48 0.00 0.00 55.95 57.04 1y14 s SER 93 Cb 0.07 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1y14 s SER 93 CO 0.81 -0.39 -0.23 0.00 0.98 0.00 0.00 173.24 174.41 1y14 s SER 95 N -2.62 -0.05 0.62 0.00 1.04 0.01 -4.99 113.70 107.71 1y14 s SER 95 Ca 0.19 -0.89 0.40 0.00 0.48 0.00 0.00 55.95 56.13 1y14 s SER 95 Cb -0.08 0.72 2.03 0.00 0.10 0.00 0.00 66.02 68.79 1y14 s SER 95 CO 0.09 -1.41 2.23 0.06 0.98 0.00 0.00 173.24 175.19 1y14 h GLN 96 N 2.00 0.00 0.00 4.02 3.07 -1.99 -2.06 115.11 120.15 1y14 h GLN 96 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 1y14 h GLN 96 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 1y14 h GLN 96 CO 0.36 0.00 -0.57 0.72 0.09 0.00 0.00 178.83 179.43 1y14 n HIS 97 N -3.11 0.38 0.00 0.06 8.25 -1.26 -4.76 115.22 114.77 1y14 n HIS 97 Ca -0.02 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1y14 n HIS 97 Cb 0.16 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.73 1y14 n HIS 97 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y14 n GLY 98 N 1.39 0.81 3.06 -1.41 0.00 -0.78 -0.74 105.19 107.52 1y14 n GLY 98 Ca 0.04 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 1y14 n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1y14 s PHE 99 N -3.36 -0.06 0.01 1.61 -0.12 -0.71 -0.81 117.98 114.54 1y14 s PHE 99 Ca 0.00 0.15 -0.21 0.00 -0.05 0.00 0.00 56.93 56.82 1y14 s PHE 99 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 43.02 42.34 1y14 s PHE 99 CO 0.00 -0.17 0.61 -1.21 -0.05 0.00 0.00 175.22 174.40 1y14 s GLU 100 N -0.57 4.33 -0.12 1.99 2.02 -0.15 -1.96 118.70 124.24 1y14 s GLU 100 Ca -0.07 0.77 0.02 0.00 0.02 0.00 0.00 54.97 55.71 1y14 s GLU 100 Cb -0.04 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 1y14 s GLU 100 CO 0.01 0.39 -0.18 0.08 0.02 0.00 0.00 175.26 175.58 1y14 s VAL 101 N -0.28 2.61 -0.24 2.63 1.01 -0.01 0.20 120.40 126.31 1y14 s VAL 101 Ca 0.32 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 1y14 s VAL 101 Cb -0.19 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1y14 s VAL 101 CO 0.18 0.54 0.86 -1.58 0.00 0.00 0.00 175.10 175.09 1y14 s GLN 102 N 0.40 4.19 -0.27 2.72 2.00 0.85 0.14 119.66 129.69 1y14 s GLN 102 Ca -0.14 1.00 -0.00 0.00 -2.00 0.00 0.00 55.36 54.22 1y14 s GLN 102 Cb -0.17 -3.64 0.08 0.00 0.80 0.00 0.00 33.01 30.08 1y14 s GLN 102 CO 0.06 -0.53 0.04 0.08 -0.50 0.00 0.00 175.29 174.44 1y14 s VAL 103 N 2.89 1.14 0.00 1.34 1.01 0.26 -2.53 120.40 124.51 1y14 s VAL 103 Ca 0.36 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1y14 s VAL 103 Cb -0.15 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1y14 s VAL 103 CO 0.07 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1y14 n GLY 104 N 4.77 2.87 0.19 4.51 0.00 -1.26 -1.42 105.19 114.85 1y14 n GLY 104 Ca -0.05 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1y14 n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y14 n PRO 105 N 13.66 1.24 -4.36 1.61 -0.04 -1.26 -4.90 135.00 140.96 1y14 n PRO 105 Ca 0.00 -0.37 -0.19 0.00 -0.04 0.00 0.00 63.50 62.90 1y14 n PRO 105 Cb 0.00 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 1y14 n PRO 105 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1y14 s MET 106 N -1.91 1.37 -0.12 0.54 0.00 -0.51 -5.14 119.30 113.54 1y14 s MET 106 Ca 0.22 -1.61 0.00 0.00 0.00 0.00 0.00 55.69 54.30 1y14 s MET 106 Cb 0.11 -1.17 -0.02 0.00 0.00 0.00 0.00 34.83 33.75 1y14 s MET 106 CO 0.17 0.19 -0.13 0.15 0.00 0.00 0.00 175.02 175.40 1y14 s LYS 107 N -3.64 3.28 -0.18 4.11 1.02 -1.26 0.92 119.74 123.99 1y14 s LYS 107 Ca 0.23 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.48 1y14 s LYS 107 Cb -0.01 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 1y14 s LYS 107 CO 0.08 0.27 0.02 0.08 -0.92 0.00 0.00 175.35 174.87 1y14 s VAL 108 N 0.21 4.28 -0.28 3.17 1.01 0.12 -4.31 120.40 124.60 1y14 s VAL 108 Ca -0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1y14 s VAL 108 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1y14 s VAL 108 CO 0.05 0.45 0.29 0.12 0.00 0.00 0.00 175.10 176.01 1y14 s PHE 109 N 0.61 3.23 -0.48 5.22 5.36 -0.08 -0.83 117.98 131.01 1y14 s PHE 109 Ca 0.00 0.27 -0.15 0.00 -0.96 0.00 0.00 56.93 56.09 1y14 s PHE 109 Cb -0.14 -2.48 0.08 0.00 -0.34 0.00 0.00 43.02 40.14 1y14 s PHE 109 CO 0.02 -0.20 0.41 0.08 -1.46 0.00 0.00 175.22 174.07 1y14 s VAL 110 N 1.93 5.20 0.64 3.12 1.01 -0.83 -0.05 120.40 131.42 1y14 s VAL 110 Ca 0.11 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 1y14 s VAL 110 Cb -0.16 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1y14 s VAL 110 CO 0.10 -0.63 1.10 0.42 0.00 0.00 0.00 175.10 176.10 1y14 s THR 111 N 1.63 3.32 0.52 3.92 -4.23 -1.25 -1.73 115.64 117.81 1y14 s THR 111 Ca 0.04 0.63 0.28 0.00 -1.18 0.00 0.00 61.69 61.46 1y14 s THR 111 Cb -0.25 -3.16 0.45 0.00 1.34 0.00 0.00 72.50 70.88 1y14 s THR 111 CO 0.06 -0.36 1.92 0.50 -0.54 0.00 0.00 174.62 176.20 1y14 h LYS 112 N 0.20 0.04 0.00 3.99 3.64 -1.23 0.28 116.57 123.49 1y14 h LYS 112 Ca -0.47 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1y14 h LYS 112 Cb 1.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1y14 h LYS 112 CO 0.55 0.03 0.00 0.72 -2.27 0.00 0.00 179.45 178.48 1y14 n HIS 113 N -4.33 0.62 -1.03 1.91 -0.00 -1.26 -3.11 115.22 108.03 1y14 n HIS 113 Ca 0.16 0.19 0.03 0.00 -0.00 0.00 0.00 57.72 58.10 1y14 n HIS 113 Cb 0.83 -0.80 0.31 0.00 -0.00 0.00 0.00 29.99 30.32 1y14 n HIS 113 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y14 n LEU 114 N -2.01 4.97 -4.52 2.41 4.77 0.09 -4.91 117.00 117.79 1y14 n LEU 114 Ca 0.06 -3.12 -0.31 0.00 -0.03 0.00 0.00 56.01 52.61 1y14 n LEU 114 Cb 0.39 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.72 1y14 n LEU 114 CO 0.28 0.75 -0.44 -0.04 -1.33 0.00 0.00 177.39 176.61 1y14 s MET 115 N -2.90 2.28 0.68 3.23 -1.94 -1.18 -1.43 119.30 118.04 1y14 s MET 115 Ca 0.49 -0.88 -0.17 0.00 -1.71 0.00 0.00 55.69 53.43 1y14 s MET 115 Cb 0.39 -2.32 -0.06 0.00 2.01 0.00 0.00 34.83 34.85 1y14 s MET 115 CO 0.11 0.56 0.43 -2.30 -0.01 0.00 0.00 175.02 173.81 1y14 n PRO 116 N 1.50 0.31 0.42 2.03 -0.02 -1.26 -4.89 135.00 133.09 1y14 n PRO 116 Ca -0.16 0.14 -0.18 0.00 -2.02 0.00 0.00 63.50 61.28 1y14 n PRO 116 Cb 0.52 -1.71 -0.09 0.00 -0.02 0.00 0.00 33.50 32.21 1y14 n PRO 116 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1y14 h GLN 117 N -0.24 -1.10 0.00 -0.52 1.08 -1.97 -2.56 115.11 109.81 1y14 h GLN 117 Ca -0.45 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1y14 h GLN 117 Cb 1.37 0.25 0.00 0.00 -0.05 0.00 0.00 27.48 29.04 1y14 h GLN 117 CO 0.43 -0.73 0.00 -0.40 -0.95 0.00 0.00 178.83 177.18 1y14 n ASP 118 N -5.27 0.00 -4.09 1.46 5.75 -1.26 -4.37 116.55 108.77 1y14 n ASP 118 Ca -0.14 -0.22 -0.32 0.00 -0.01 0.00 0.00 54.79 54.09 1y14 n ASP 118 Cb 0.46 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.40 1y14 n ASP 118 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1y14 s LEU 119 N -1.78 2.59 0.17 -2.12 2.96 -0.96 -4.37 118.68 115.16 1y14 s LEU 119 Ca 0.07 -0.92 -0.01 0.00 -0.22 0.00 0.00 54.13 53.05 1y14 s LEU 119 Cb 0.03 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1y14 s LEU 119 CO 0.05 -0.08 0.08 0.42 -1.32 0.00 0.00 176.35 175.50 1y14 s THR 120 N 1.24 0.17 0.83 3.68 -4.23 -0.78 -4.47 115.64 112.07 1y14 s THR 120 Ca -0.00 -1.96 -0.13 0.00 -1.18 0.00 0.00 61.69 58.42 1y14 s THR 120 Cb -0.16 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.48 1y14 s THR 120 CO -0.10 -0.26 0.95 0.33 -0.54 0.00 0.00 174.62 175.00 1y14 n PHE 121 N -0.20 0.43 -2.72 3.99 7.35 -1.26 -0.88 117.46 124.17 1y14 n PHE 121 Ca -0.02 0.37 -0.08 0.00 -0.76 0.00 0.00 57.45 56.95 1y14 n PHE 121 Cb 0.65 -2.01 0.09 0.00 0.35 0.00 0.00 39.48 38.56 1y14 n PHE 121 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1y14 n ASN 122 N -2.60 -2.15 0.00 -2.13 5.15 -1.26 -4.73 115.26 107.55 1y14 n ASN 122 Ca 0.12 -3.37 0.00 0.00 -0.60 0.00 0.00 54.58 50.73 1y14 n ASN 122 Cb 0.51 1.79 0.00 0.00 -0.53 0.00 0.00 39.78 41.55 1y14 n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1y14 n ALA 123 N 0.36 0.00 0.00 5.20 0.00 -1.26 -4.81 120.51 120.00 1y14 n ALA 123 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1y14 n ALA 123 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1y14 n ALA 123 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1y14 n SER 129 N 0.00 0.00 -4.12 0.00 3.41 -1.26 -5.03 113.62 106.62 1y14 n SER 129 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1y14 n SER 129 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1y14 n SER 129 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1y14 s TYR 130 N 0.00 1.85 0.15 7.33 1.51 -0.68 -4.43 117.35 123.08 1y14 s TYR 130 Ca 0.00 -0.66 0.08 0.00 -1.01 0.00 0.00 57.07 55.48 1y14 s TYR 130 Cb 0.00 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1y14 s TYR 130 CO 0.00 -0.27 -0.17 -0.65 -1.11 0.00 0.00 175.55 173.35 1y14 s GLN 131 N 0.35 1.20 0.37 -0.62 -0.21 -0.06 -1.08 119.66 119.61 1y14 s GLN 131 Ca -0.12 -1.37 0.05 0.00 0.02 0.00 0.00 55.36 53.95 1y14 s GLN 131 Cb -0.15 -1.20 -0.03 0.00 1.00 0.00 0.00 33.01 32.63 1y14 s GLN 131 CO 0.05 0.24 0.19 0.45 -2.12 0.00 0.00 175.29 174.10 1y14 s SER 132 N -2.63 2.20 0.00 5.90 0.15 -0.58 -1.87 113.70 116.87 1y14 s SER 132 Ca 0.14 -1.70 -0.00 0.00 0.70 0.00 0.00 55.95 55.09 1y14 s SER 132 Cb -0.05 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.77 1y14 s SER 132 CO 0.06 -0.98 1.79 -1.54 1.20 0.00 0.00 173.24 173.76 1y14 n SER 133 N -1.36 4.61 0.00 5.45 3.41 -1.26 -4.23 113.62 120.24 1y14 n SER 133 Ca 0.00 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1y14 n SER 133 Cb 0.64 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1y14 n SER 133 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1y14 n GLU 134 N 1.62 0.00 -1.47 4.33 0.28 -1.26 -5.17 120.64 118.97 1y14 n GLU 134 Ca 0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.68 1y14 n GLU 134 Cb 0.45 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.40 1y14 n GLU 134 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1y14 s ASP 135 N 2.00 4.42 -0.17 -1.84 1.01 -1.26 -5.06 116.67 115.77 1y14 s ASP 135 Ca 0.00 2.18 -0.04 0.00 0.71 0.00 0.00 52.55 55.40 1y14 s ASP 135 Cb 0.00 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.43 1y14 s ASP 135 CO 0.00 -2.10 0.14 -0.69 0.21 0.00 0.00 175.17 172.73 1y14 s VAL 136 N -2.23 -0.18 -0.21 -1.27 1.01 -1.26 -1.53 120.40 114.74 1y14 s VAL 136 Ca 0.70 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 1y14 s VAL 136 Cb -0.25 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1y14 s VAL 136 CO 0.46 -0.20 0.10 -0.63 0.00 0.00 0.00 175.10 174.84 1y14 s ILE 137 N 2.21 4.99 0.37 2.22 1.01 -0.24 -4.94 121.20 126.83 1y14 s ILE 137 Ca 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 1y14 s ILE 137 Cb -0.15 -3.29 0.04 0.00 0.01 0.00 0.00 42.46 39.06 1y14 s ILE 137 CO -0.09 0.40 0.66 0.41 0.00 0.00 0.00 174.94 176.31 1y14 n THR 138 N 3.98 0.00 -1.64 2.92 -1.04 -1.26 -1.68 114.28 115.56 1y14 n THR 138 Ca -0.16 -1.31 -0.40 0.00 -2.04 0.00 0.00 64.05 60.15 1y14 n THR 138 Cb 0.52 1.02 0.03 0.00 -1.82 0.00 0.00 70.33 70.08 1y14 n THR 138 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1y14 n ILE 139 N -0.55 3.04 -0.33 12.58 5.41 -1.26 -1.43 119.36 136.83 1y14 n ILE 139 Ca -0.05 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.20 1y14 n ILE 139 Cb 0.58 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 1y14 n ILE 139 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1y14 n LYS 140 N -0.41 0.00 -2.42 0.38 4.76 -0.32 -4.95 118.16 115.20 1y14 n LYS 140 Ca 0.11 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.14 1y14 n LYS 140 Cb 0.43 -2.59 -0.04 0.00 -1.84 0.00 0.00 35.03 30.99 1y14 n LYS 140 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1y14 s SER 141 N -3.12 7.18 -0.04 4.39 0.15 -0.52 -4.75 113.70 116.99 1y14 s SER 141 Ca 0.00 2.29 -0.18 0.00 0.70 0.00 0.00 55.95 58.75 1y14 s SER 141 Cb 0.00 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1y14 s SER 141 CO 0.00 -0.24 0.51 -0.13 1.20 0.00 0.00 173.24 174.58 1y14 s ARG 142 N -1.12 4.23 -0.01 5.44 0.52 -1.26 -1.03 118.95 125.71 1y14 s ARG 142 Ca 0.47 0.56 -0.09 0.00 -0.52 0.00 0.00 55.73 56.15 1y14 s ARG 142 Cb -0.33 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 31.81 1y14 s ARG 142 CO 0.41 0.39 0.19 -1.50 0.02 0.00 0.00 175.30 174.81 1y14 s ILE 143 N -0.19 0.07 -0.26 1.52 2.07 0.39 0.01 121.20 124.81 1y14 s ILE 143 Ca 0.27 -0.54 -0.12 0.00 -1.41 0.00 0.00 60.65 58.85 1y14 s ILE 143 Cb -0.17 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 41.92 1y14 s ILE 143 CO 0.14 -0.30 0.25 -0.60 -1.91 0.00 0.00 174.94 172.52 1y14 s ARG 144 N -1.16 4.02 0.11 3.50 3.52 -0.03 -0.95 118.95 127.95 1y14 s ARG 144 Ca -0.12 -0.17 0.08 0.00 -0.13 0.00 0.00 55.73 55.38 1y14 s ARG 144 Cb -0.06 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1y14 s ARG 144 CO 0.02 -0.13 -0.19 0.08 -0.81 0.00 0.00 175.30 174.27 1y14 s VAL 145 N 1.62 1.63 -0.18 7.11 1.01 0.23 -0.05 120.40 131.77 1y14 s VAL 145 Ca 0.10 -1.58 -0.07 0.00 0.00 0.00 0.00 61.98 60.43 1y14 s VAL 145 Cb -0.15 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1y14 s VAL 145 CO 0.09 -0.14 0.04 -0.75 0.00 0.00 0.00 175.10 174.34 1y14 s LYS 146 N -2.07 3.88 -0.15 2.72 2.20 -0.66 -0.63 119.74 125.04 1y14 s LYS 146 Ca 0.07 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.99 1y14 s LYS 146 Cb -0.09 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 1y14 s LYS 146 CO 0.04 0.22 1.24 0.42 -0.36 0.00 0.00 175.35 176.92 1y14 s ILE 147 N 0.49 4.29 -0.13 5.43 -1.09 0.36 -1.26 121.20 129.30 1y14 s ILE 147 Ca 0.02 1.57 0.17 0.00 -2.23 0.00 0.00 60.65 60.18 1y14 s ILE 147 Cb -0.13 -4.01 -0.25 0.00 -1.58 0.00 0.00 42.46 36.49 1y14 s ILE 147 CO 0.01 -0.11 0.18 -0.62 -1.23 0.00 0.00 174.94 173.17 1y14 n GLU 148 N 6.33 0.91 -3.53 2.79 -0.58 0.31 -0.52 120.64 126.35 1y14 n GLU 148 Ca 0.13 -0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.64 1y14 n GLU 148 Cb 0.45 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.80 1y14 n GLU 148 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1y14 s GLY 149 N -4.88 -0.55 -0.03 0.62 0.00 -1.16 -4.81 107.32 96.50 1y14 s GLY 149 Ca -0.08 1.41 0.04 0.00 0.00 0.00 0.00 44.72 46.09 1y14 s GLY 149 CO 0.76 1.01 -0.15 0.00 0.00 0.00 0.00 173.10 174.72 1y14 s ILE 151 N 0.03 1.91 -0.25 0.00 1.01 0.12 -4.93 121.20 119.08 1y14 s ILE 151 Ca -0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 1y14 s ILE 151 Cb -0.10 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1y14 s ILE 151 CO 0.01 0.45 0.05 -0.94 0.00 0.00 0.00 174.94 174.51 1y14 s SER 152 N 1.34 4.93 0.56 3.58 1.04 -1.26 0.46 113.70 124.35 1y14 s SER 152 Ca 0.04 -0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.20 1y14 s SER 152 Cb -0.14 -1.87 0.08 0.00 0.10 0.00 0.00 66.02 64.19 1y14 s SER 152 CO -0.12 -0.06 0.78 -1.10 0.98 0.00 0.00 173.24 173.72 1y14 s GLN 153 N 1.56 2.33 0.22 4.02 -1.52 0.25 -4.88 119.66 121.64 1y14 s GLN 153 Ca 0.06 -1.47 -0.09 0.00 -1.95 0.00 0.00 55.36 51.91 1y14 s GLN 153 Cb -0.15 -2.62 0.33 0.00 -0.22 0.00 0.00 33.01 30.34 1y14 s GLN 153 CO 0.02 -0.82 1.72 0.28 -0.25 0.00 0.00 175.29 176.23 1y14 h VAL 154 N 0.17 0.67 -0.72 1.09 2.07 -1.97 -2.34 116.25 115.22 1y14 h VAL 154 Ca -0.33 -0.11 -0.42 0.00 0.82 0.00 0.00 66.70 66.66 1y14 h VAL 154 Cb 1.28 0.31 -0.41 0.00 -1.52 0.00 0.00 31.29 30.95 1y14 h VAL 154 CO 0.42 0.06 -0.96 -1.54 0.02 0.00 0.00 177.57 175.57 1y14 n SER 155 N -5.08 3.31 -3.62 0.57 3.41 -1.26 -2.91 113.62 108.04 1y14 n SER 155 Ca 0.10 -2.99 -0.02 0.00 -0.26 0.00 0.00 58.87 55.70 1y14 n SER 155 Cb 0.33 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1y14 n SER 155 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y14 s SER 156 N -3.64 -0.14 0.00 4.04 1.04 -1.21 -4.66 113.70 109.14 1y14 s SER 156 Ca 0.39 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.68 1y14 s SER 156 Cb 0.38 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 1y14 s SER 156 CO -0.01 -0.43 0.03 0.27 0.98 0.00 0.00 173.24 174.07 1y14 s ILE 157 N -2.66 0.06 0.04 -1.02 -4.36 -1.26 -0.58 121.20 111.41 1y14 s ILE 157 Ca 0.11 -0.51 0.05 0.00 -0.26 0.00 0.00 60.65 60.04 1y14 s ILE 157 Cb 0.01 -0.21 -0.02 0.00 1.25 0.00 0.00 42.46 43.49 1y14 s ILE 157 CO -0.04 -0.28 -0.16 -1.00 0.24 0.00 0.00 174.94 173.70 1y14 s HIS 158 N -0.86 1.37 -0.00 1.37 3.76 0.17 -4.94 115.29 116.16 1y14 s HIS 158 Ca -0.09 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.49 1y14 s HIS 158 Cb -0.06 -0.81 -0.01 0.00 1.11 0.00 0.00 32.58 32.81 1y14 s HIS 158 CO -0.00 0.05 -0.11 0.00 -0.85 0.00 0.00 174.74 173.83 1y14 s ALA 159 N -0.84 0.94 -0.07 -1.40 0.00 -1.26 0.11 121.76 119.23 1y14 s ALA 159 Ca 0.03 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1y14 s ALA 159 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1y14 s ALA 159 CO 0.01 0.22 -0.11 0.42 0.00 0.00 0.00 175.76 176.31 1y14 s ILE 160 N -0.33 3.34 0.31 0.00 -1.09 -0.29 -0.90 121.20 122.23 1y14 s ILE 160 Ca 0.04 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1y14 s ILE 160 Cb -0.05 -2.35 -0.06 0.00 -1.58 0.00 0.00 42.46 38.42 1y14 s ILE 160 CO -0.00 0.58 0.05 -0.83 -1.23 0.00 0.00 174.94 173.51 1y14 s GLY 161 N -0.55 2.01 0.14 6.18 0.00 0.92 -0.53 107.32 115.49 1y14 s GLY 161 Ca 0.08 -2.02 -0.02 0.00 0.00 0.00 0.00 44.72 42.75 1y14 s GLY 161 CO 0.02 -1.79 0.10 -1.35 0.00 0.00 0.00 173.10 170.08 1y14 s SER 162 N -3.46 0.26 0.00 1.64 1.04 -0.39 -3.96 113.70 108.83 1y14 s SER 162 Ca 0.36 -1.16 0.08 0.00 0.48 0.00 0.00 55.95 55.70 1y14 s SER 162 Cb 0.08 0.32 0.13 0.00 0.10 0.00 0.00 66.02 66.66 1y14 s SER 162 CO 0.15 -0.76 1.04 2.30 0.98 0.00 0.00 173.24 176.94 1y14 n ILE 163 N -0.12 0.00 -0.01 -1.02 -5.35 -0.51 -1.65 119.36 110.70 1y14 n ILE 163 Ca -0.05 -0.30 -0.17 0.00 -0.27 0.00 0.00 62.75 61.95 1y14 n ILE 163 Cb 0.64 0.64 -0.10 0.00 -1.74 0.00 0.00 39.64 39.07 1y14 n ILE 163 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1y14 h LYS 164 N 0.30 0.47 -7.19 6.28 1.57 -1.90 -3.41 116.57 112.70 1y14 h LYS 164 Ca -0.08 -0.45 -0.46 0.00 -1.87 0.00 0.00 60.65 57.79 1y14 h LYS 164 Cb 1.54 0.11 0.20 0.00 0.08 0.00 0.00 32.23 34.17 1y14 h LYS 164 CO 0.03 1.09 0.07 -1.21 -0.57 0.00 0.00 179.45 178.86 1y14 s GLU 165 N -3.41 -0.39 0.46 3.15 0.41 -1.26 -4.86 118.70 112.80 1y14 s GLU 165 Ca -0.13 0.99 -0.25 0.00 -0.41 0.00 0.00 54.97 55.18 1y14 s GLU 165 Cb 0.05 -1.60 -0.08 0.00 -1.78 0.00 0.00 34.13 30.71 1y14 s GLU 165 CO 0.83 -3.41 1.37 -0.51 -0.49 0.00 0.00 175.26 173.05 1y14 s ASP 166 N -2.61 5.87 -0.03 -0.19 1.01 -1.26 -2.96 116.67 116.50 1y14 s ASP 166 Ca 0.68 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.74 1y14 s ASP 166 Cb -0.24 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.05 1y14 s ASP 166 CO 0.63 -1.17 0.00 -1.22 0.21 0.00 0.00 175.17 173.62 1y14 n TYR 167 N -0.30 0.00 -3.99 4.23 4.02 -1.26 -5.01 117.16 114.85 1y14 n TYR 167 Ca 0.06 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.73 1y14 n TYR 167 Cb 0.43 -1.09 -0.04 0.00 -0.02 0.00 0.00 39.34 38.62 1y14 n TYR 167 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1y14 s LEU 168 N -0.06 3.74 0.00 7.72 1.43 -1.16 -4.93 118.68 125.43 1y14 s LEU 168 Ca 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1y14 s LEU 168 Cb 0.00 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1y14 s LEU 168 CO 0.00 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1y14 n GLY 169 N -1.26 -0.81 2.65 -3.19 0.00 0.93 -4.92 105.19 98.60 1y14 n GLY 169 Ca -0.06 -2.05 -0.45 0.00 0.00 0.00 0.00 46.02 43.47 1y14 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y14 n ALA 170 N -0.32 -2.77 -0.90 4.61 0.00 -1.26 -0.85 120.51 119.02 1y14 n ALA 170 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1y14 n ALA 170 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1y14 n ALA 170 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61