#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 3.52 0.15 1.12 0.40 -1.26 -0.94 117.98 120.98 1y14 s PHE 2 Ca 0.00 0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 56.78 1y14 s PHE 2 Cb 0.00 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 1y14 s PHE 2 CO 0.00 0.59 0.07 -0.06 0.70 0.00 0.00 175.22 176.52 1y14 s PHE 3 N -0.59 0.99 -0.19 0.36 0.40 0.39 -4.96 117.98 114.38 1y14 s PHE 3 Ca 0.13 -1.24 -0.02 0.00 -0.60 0.00 0.00 56.93 55.19 1y14 s PHE 3 Cb -0.12 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1y14 s PHE 3 CO 0.02 -0.51 -0.08 0.42 0.70 0.00 0.00 175.22 175.77 1y14 s ILE 4 N -4.02 3.21 0.05 0.64 1.01 -1.26 0.07 121.20 120.89 1y14 s ILE 4 Ca 0.28 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1y14 s ILE 4 Cb 0.07 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 1y14 s ILE 4 CO 0.05 0.47 -0.19 -0.75 0.00 0.00 0.00 174.94 174.52 1y14 s LYS 5 N 1.05 1.25 -0.26 2.79 2.20 -0.54 -4.95 119.74 121.27 1y14 s LYS 5 Ca 0.00 -0.90 -0.25 0.00 -0.36 0.00 0.00 55.97 54.46 1y14 s LYS 5 Cb -0.15 -1.34 0.00 0.00 -1.51 0.00 0.00 37.83 34.83 1y14 s LYS 5 CO -0.01 0.34 0.88 -0.51 -0.36 0.00 0.00 175.35 175.68 1y14 s ASP 6 N -1.20 6.85 0.39 1.43 -0.00 -1.26 -2.29 116.67 120.58 1y14 s ASP 6 Ca 0.06 1.01 0.05 0.00 -0.00 0.00 0.00 52.55 53.67 1y14 s ASP 6 Cb -0.09 -2.46 -0.06 0.00 -0.00 0.00 0.00 42.92 40.31 1y14 s ASP 6 CO 0.02 -0.60 0.03 -0.76 -0.00 0.00 0.00 175.17 173.87 1y14 s LEU 7 N 3.00 2.50 0.01 1.23 1.43 -0.02 -5.00 118.68 121.83 1y14 s LEU 7 Ca 0.37 -1.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.01 1y14 s LEU 7 Cb -0.15 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 1y14 s LEU 7 CO 0.09 -0.58 0.07 -0.55 0.23 0.00 0.00 176.35 175.61 1y14 s SER 8 N -3.63 0.12 -0.16 2.29 0.15 -1.26 -1.68 113.70 109.52 1y14 s SER 8 Ca 0.32 -0.34 -0.07 0.00 0.70 0.00 0.00 55.95 56.56 1y14 s SER 8 Cb 0.08 0.16 0.07 0.00 -1.71 0.00 0.00 66.02 64.62 1y14 s SER 8 CO 0.15 -0.35 0.37 -0.22 1.20 0.00 0.00 173.24 174.40 1y14 s LEU 9 N -1.45 -0.22 -0.15 3.45 2.96 -0.38 -4.97 118.68 117.92 1y14 s LEU 9 Ca -0.15 0.83 -0.19 0.00 -0.22 0.00 0.00 54.13 54.41 1y14 s LEU 9 Cb -0.08 1.18 -0.04 0.00 0.50 0.00 0.00 46.19 47.75 1y14 s LEU 9 CO 0.00 -0.21 0.51 0.21 -1.32 0.00 0.00 176.35 175.54 1y14 s ASN 10 N 1.88 6.64 0.06 3.68 2.47 -1.26 -0.88 114.94 127.53 1y14 s ASN 10 Ca -0.06 0.77 0.07 0.00 0.42 0.00 0.00 52.86 54.06 1y14 s ASN 10 Cb -0.10 -2.30 -0.03 0.00 -1.45 0.00 0.00 41.25 37.38 1y14 s ASN 10 CO -0.12 -0.09 -0.20 -0.63 -3.72 0.00 0.00 177.10 172.35 1y14 s ILE 11 N 1.11 1.58 -0.05 -5.21 1.01 -0.64 -4.95 121.20 114.06 1y14 s ILE 11 Ca 0.26 -1.26 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1y14 s ILE 11 Cb -0.15 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1y14 s ILE 11 CO 0.10 0.09 -0.20 -0.89 0.00 0.00 0.00 174.94 174.05 1y14 s THR 12 N -0.92 2.52 0.00 2.92 2.01 -1.26 -0.19 115.64 120.73 1y14 s THR 12 Ca 0.06 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1y14 s THR 12 Cb -0.09 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.47 1y14 s THR 12 CO 0.02 0.58 0.00 -0.11 -0.69 0.00 0.00 174.62 174.42 1y14 n LEU 13 N 2.64 0.00 -0.74 4.42 0.00 0.18 -4.98 117.00 118.52 1y14 n LEU 13 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 56.01 55.95 1y14 n LEU 13 Cb 0.52 0.00 0.32 0.00 0.00 0.00 0.00 43.42 44.26 1y14 n LEU 13 CO 0.25 0.00 0.75 -2.65 0.00 0.00 0.00 177.39 175.74 1y14 n PRO 15 N 0.00 1.97 0.28 1.96 -0.02 -1.26 -0.90 135.00 137.03 1y14 n PRO 15 Ca 0.00 -1.47 0.16 0.00 -2.02 0.00 0.00 63.50 60.18 1y14 n PRO 15 Cb 0.00 -1.43 0.76 0.00 -0.02 0.00 0.00 33.50 32.81 1y14 n PRO 15 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1y14 h SER 16 N 2.95 0.00 -0.11 2.55 0.87 -2.02 -3.26 113.55 114.53 1y14 h SER 16 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1y14 h SER 16 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1y14 h SER 16 CO 0.00 0.05 0.00 0.49 -0.53 0.00 0.00 176.83 176.84 1y14 n PHE 17 N -3.23 0.34 -1.76 2.24 3.01 -1.26 -5.04 117.46 111.76 1y14 n PHE 17 Ca -0.01 -0.86 -0.41 0.00 1.01 0.00 0.00 57.45 57.18 1y14 n PHE 17 Cb 0.27 -0.18 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.86 2.92 -3.60 1.38 3.01 -1.23 -4.71 117.46 114.37 1y14 n PHE 18 Ca 0.15 0.39 0.01 0.00 1.01 0.00 0.00 57.45 59.02 1y14 n PHE 18 Cb 0.65 -2.55 -0.01 0.00 -0.01 0.00 0.00 39.48 37.57 1y14 n PHE 18 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1y14 s GLY 19 N 0.05 -0.40 0.58 1.37 0.00 -1.26 -4.97 107.32 102.69 1y14 s GLY 19 Ca 0.57 1.11 0.39 0.00 0.00 0.00 0.00 44.72 46.79 1y14 s GLY 19 CO 0.59 0.28 2.18 -0.56 0.00 0.00 0.00 173.10 175.59 1y14 h PRO 20 N 2.00 0.00 -0.70 2.90 0.13 -2.07 -2.78 132.00 131.48 1y14 h PRO 20 Ca -0.24 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.48 1y14 h PRO 20 Cb 1.18 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.90 1y14 h PRO 20 CO 0.27 0.00 -0.97 0.54 -0.23 0.00 0.00 178.00 177.61 1y14 n ARG 21 N -2.90 2.64 0.11 0.86 5.12 -1.26 -4.74 116.66 116.48 1y14 n ARG 21 Ca -0.02 -3.85 0.13 0.00 -1.93 0.00 0.00 57.85 52.17 1y14 n ARG 21 Cb 0.09 -1.92 0.43 0.00 -1.16 0.00 0.00 32.46 29.90 1y14 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1y14 n MET 22 N -0.60 0.24 -0.14 5.56 0.00 -1.05 -3.25 117.12 117.89 1y14 n MET 22 Ca 0.26 0.24 -0.03 0.00 0.00 0.00 0.00 57.70 58.17 1y14 n MET 22 Cb 0.86 -1.81 0.19 0.00 0.00 0.00 0.00 33.22 32.46 1y14 n MET 22 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1y14 h LYS 23 N 0.00 0.84 -0.18 3.17 3.64 -1.85 -1.19 116.57 121.01 1y14 h LYS 23 Ca 0.00 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.07 1y14 h LYS 23 Cb 0.67 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1y14 h LYS 23 CO 0.00 0.76 -0.49 1.96 -2.27 0.00 0.00 179.45 179.41 1y14 h GLN 24 N 0.81 0.47 -0.20 1.90 1.08 -1.95 -2.16 115.11 115.06 1y14 h GLN 24 Ca 0.18 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1y14 h GLN 24 Cb 0.30 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1y14 h GLN 24 CO -0.00 0.86 0.08 -0.92 -0.95 0.00 0.00 178.83 177.90 1y14 h TYR 25 N 0.38 0.31 -0.77 2.96 3.20 -1.51 -1.75 116.97 119.78 1y14 h TYR 25 Ca 0.02 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1y14 h TYR 25 Cb 0.99 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 1y14 h TYR 25 CO 0.03 0.35 0.47 -0.07 -1.64 0.00 0.00 178.16 177.30 1y14 h LEU 26 N 0.18 0.93 -1.42 2.82 3.38 -1.16 -1.17 115.31 118.86 1y14 h LEU 26 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1y14 h LEU 26 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1y14 h LEU 26 CO -0.01 0.72 0.28 0.11 0.09 0.00 0.00 178.44 179.63 1y14 h LYS 27 N 1.06 0.67 -0.15 1.13 1.57 -1.21 -0.12 116.57 119.51 1y14 h LYS 27 Ca 0.28 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1y14 h LYS 27 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1y14 h LYS 27 CO -0.05 0.48 -0.00 1.15 -0.57 0.00 0.00 179.45 180.46 1y14 h THR 28 N 0.68 1.25 -0.16 -0.16 2.02 -0.33 -2.13 112.91 114.07 1y14 h THR 28 Ca 0.18 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 1y14 h THR 28 Cb 0.00 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1y14 h THR 28 CO -0.03 0.25 -0.12 0.11 0.37 0.00 0.00 175.52 176.10 1y14 h LYS 29 N 0.01 0.25 -0.43 6.66 1.79 -0.74 -2.21 116.57 121.90 1y14 h LYS 29 Ca 0.04 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1y14 h LYS 29 Cb 0.37 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1y14 h LYS 29 CO 0.01 0.38 0.26 1.25 -1.08 0.00 0.00 179.45 180.27 1y14 h LEU 30 N 0.24 0.52 -0.36 2.94 5.85 -0.73 -0.75 115.31 123.02 1y14 h LEU 30 Ca 0.05 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1y14 h LEU 30 Cb 0.36 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1y14 h LEU 30 CO 0.02 0.42 0.11 -0.07 -0.34 0.00 0.00 178.44 178.57 1y14 h LEU 31 N 0.58 0.54 -0.86 2.25 3.38 -0.88 -1.50 115.31 118.81 1y14 h LEU 31 Ca 0.16 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1y14 h LEU 31 Cb -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1y14 h LEU 31 CO -0.03 0.61 0.57 -0.33 0.09 0.00 0.00 178.44 179.34 1y14 h GLU 32 N 0.44 1.11 -0.00 1.13 5.08 -1.16 -1.59 114.58 119.59 1y14 h GLU 32 Ca 0.12 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 1y14 h GLU 32 Cb 0.27 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1y14 h GLU 32 CO -0.00 0.74 -0.85 0.93 -1.00 0.00 0.00 179.01 178.82 1y14 h GLU 33 N 1.14 0.17 0.00 2.33 4.39 -1.00 -3.42 114.58 118.21 1y14 h GLU 33 Ca 0.32 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1y14 h GLU 33 Cb -0.10 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1y14 h GLU 33 CO -0.08 0.92 -1.22 0.28 -1.16 0.00 0.00 179.01 177.75 1y14 n VAL 34 N -3.66 0.22 -2.40 3.13 0.31 -0.58 -4.80 118.33 110.54 1y14 n VAL 34 Ca -0.03 -0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 63.75 1y14 n VAL 34 Cb 0.79 -0.82 -0.02 0.00 -0.91 0.00 0.00 33.84 32.88 1y14 n VAL 34 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1y14 s GLU 35 N -2.08 4.23 0.00 5.55 2.12 -0.60 -1.68 118.70 126.24 1y14 s GLU 35 Ca -0.03 1.68 0.00 0.00 0.36 0.00 0.00 54.97 56.98 1y14 s GLU 35 Cb 0.01 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.62 1y14 s GLU 35 CO 0.12 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 1y14 n GLY 36 N 3.64 0.42 3.93 -1.50 0.00 -0.08 -4.85 105.19 106.75 1y14 n GLY 36 Ca 0.14 0.00 -0.27 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 -2.74 4.13 -0.27 1.61 1.04 -0.68 -4.92 113.70 111.87 1y14 s SER 37 Ca 0.00 0.33 -0.22 0.00 0.48 0.00 0.00 55.95 56.54 1y14 s SER 37 Cb 0.00 -0.71 0.08 0.00 0.10 0.00 0.00 66.02 65.49 1y14 s SER 37 CO 0.00 -2.07 0.74 0.00 0.98 0.00 0.00 173.24 172.89 1y14 s THR 39 N 0.80 0.79 0.48 0.00 -4.23 -0.81 -4.00 115.64 108.67 1y14 s THR 39 Ca -0.03 -0.97 0.18 0.00 -1.18 0.00 0.00 61.69 59.68 1y14 s THR 39 Cb -0.05 -0.77 0.24 0.00 1.34 0.00 0.00 72.50 73.25 1y14 s THR 39 CO -0.07 -0.17 2.07 1.23 -0.54 0.00 0.00 174.62 177.15 1y14 h GLY 40 N 4.81 0.00 0.00 3.99 0.00 -1.18 0.75 103.07 111.44 1y14 h GLY 40 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1y14 h GLY 40 CO 0.43 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.25 1y14 n LYS 41 N -4.26 0.00 -1.37 4.80 4.76 -1.26 -4.30 118.16 116.53 1y14 n LYS 41 Ca -0.03 0.45 -0.04 0.00 -2.87 0.00 0.00 58.31 55.82 1y14 n LYS 41 Cb 0.19 -1.30 0.11 0.00 -1.84 0.00 0.00 35.03 32.19 1y14 n LYS 41 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1y14 n PHE 42 N -1.63 1.00 -4.02 2.13 7.35 -1.21 -5.12 117.46 115.95 1y14 n PHE 42 Ca 0.00 -1.66 0.00 0.00 -0.76 0.00 0.00 57.45 55.03 1y14 n PHE 42 Cb 0.00 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 39.57 1y14 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1y14 n GLY 43 N -0.74 -1.47 3.68 7.13 0.00 0.25 -4.75 105.19 109.30 1y14 n GLY 43 Ca 0.24 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 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 3.46 -0.85 1.61 1.51 -0.31 -1.92 117.35 120.85 1y14 s TYR 44 Ca 0.00 1.19 -0.18 0.00 -1.01 0.00 0.00 57.07 57.08 1y14 s TYR 44 Cb 0.00 -2.91 0.15 0.00 -0.11 0.00 0.00 41.96 39.09 1y14 s TYR 44 CO 0.00 -0.13 0.97 0.42 -1.11 0.00 0.00 175.55 175.70 1y14 s ILE 45 N 1.70 4.98 0.10 2.71 1.01 -0.97 -1.24 121.20 129.50 1y14 s ILE 45 Ca 0.36 -1.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 1y14 s ILE 45 Cb -0.17 -4.65 -0.19 0.00 0.01 0.00 0.00 42.46 37.46 1y14 s ILE 45 CO 0.14 -1.32 1.26 -0.07 0.00 0.00 0.00 174.94 174.95 1y14 h LEU 46 N 9.63 0.85 -7.00 2.97 3.38 -1.62 -0.20 115.31 123.32 1y14 h LEU 46 Ca 0.07 -0.63 0.03 0.00 0.09 0.00 0.00 57.88 57.45 1y14 h LEU 46 Cb 1.04 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 41.31 1y14 h LEU 46 CO 1.01 1.43 -0.20 0.00 0.09 0.00 0.00 178.44 180.76 1y14 s VAL 48 N 2.82 3.78 0.46 0.00 1.01 -1.26 -1.06 120.40 126.15 1y14 s VAL 48 Ca -0.04 1.36 0.07 0.00 0.00 0.00 0.00 61.98 63.37 1y14 s VAL 48 Cb -0.12 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1y14 s VAL 48 CO -0.17 0.15 0.63 -0.76 0.00 0.00 0.00 175.10 174.94 1y14 s LEU 49 N 0.55 3.54 -1.18 3.92 1.43 0.77 -4.74 118.68 122.98 1y14 s LEU 49 Ca 0.57 -0.42 -0.33 0.00 -1.03 0.00 0.00 54.13 52.92 1y14 s LEU 49 Cb -0.31 -2.55 0.05 0.00 0.03 0.00 0.00 46.19 43.40 1y14 s LEU 49 CO 0.32 -0.89 0.67 -0.67 0.23 0.00 0.00 176.35 176.01 1y14 n ASP 50 N -1.97 -4.11 -0.24 2.29 2.03 -1.26 -4.58 116.55 108.71 1y14 n ASP 50 Ca 0.09 -1.28 0.03 0.00 0.52 0.00 0.00 54.79 54.15 1y14 n ASP 50 Cb 0.59 -1.57 0.16 0.00 -0.72 0.00 0.00 41.12 39.59 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 -2.45 0.52 0.00 -0.67 3.20 -1.97 -2.52 116.97 113.08 1y14 h TYR 51 Ca -0.71 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.19 1y14 h TYR 51 Cb 1.40 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 1y14 h TYR 51 CO 0.35 0.12 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.54 1y14 h ASP 52 N 0.48 0.00 -0.19 -2.11 3.32 -2.01 -3.07 116.42 112.84 1y14 h ASP 52 Ca 0.37 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 1y14 h ASP 52 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1y14 h ASP 52 CO -0.35 0.01 -0.04 0.59 -1.72 0.00 0.00 179.24 177.74 1y14 n ASN 53 N -4.14 3.12 -4.69 6.45 3.02 -0.96 -5.01 115.26 113.05 1y14 n ASN 53 Ca -0.03 -3.21 -0.44 0.00 -0.03 0.00 0.00 54.58 50.87 1y14 n ASN 53 Cb 0.10 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.90 0.27 -2.58 2.41 5.41 -1.16 -4.89 119.36 117.91 1y14 n ILE 54 Ca 0.22 -0.05 -0.43 0.00 1.00 0.00 0.00 62.75 63.49 1y14 n ILE 54 Cb 0.84 -1.93 -0.02 0.00 -0.71 0.00 0.00 39.64 37.82 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 6.64 -0.20 4.38 2.15 -1.05 -5.00 116.67 125.90 1y14 s ASP 55 Ca 0.82 0.56 -0.01 0.00 0.43 0.00 0.00 52.55 54.35 1y14 s ASP 55 Cb -0.56 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.52 1y14 s ASP 55 CO 0.39 -1.23 -0.13 -0.63 -0.17 0.00 0.00 175.17 173.40 1y14 s ILE 56 N 4.44 2.59 -0.69 4.11 1.01 -1.26 -1.52 121.20 129.88 1y14 s ILE 56 Ca 0.49 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1y14 s ILE 56 Cb -0.08 -2.14 0.30 0.00 0.01 0.00 0.00 42.46 40.55 1y14 s ILE 56 CO 0.30 0.48 1.00 1.67 0.00 0.00 0.00 174.94 178.39 1y14 n GLN 57 N 4.69 3.28 0.00 2.79 -0.06 -0.75 -4.99 117.38 122.34 1y14 n GLN 57 Ca -0.20 -4.74 0.00 0.00 -2.00 0.00 0.00 57.00 50.06 1y14 n GLN 57 Cb 0.50 -2.29 0.00 0.00 -4.06 0.00 0.00 30.24 24.39 1y14 n GLN 57 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1y14 n ALA 68 N 0.36 0.00 -2.40 1.69 0.00 -0.08 -4.44 120.51 115.63 1y14 n ALA 68 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1y14 n ALA 68 Cb 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 1y14 n ALA 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1y14 s GLU 69 N 0.00 1.67 -0.01 0.00 -1.05 -1.26 0.48 118.70 118.52 1y14 s GLU 69 Ca 0.00 -1.20 0.05 0.00 -0.15 0.00 0.00 54.97 53.66 1y14 s GLU 69 Cb 0.00 -2.00 -0.01 0.00 -0.44 0.00 0.00 34.13 31.68 1y14 s GLU 69 CO 0.00 0.48 -0.15 -0.06 0.95 0.00 0.00 175.26 176.49 1y14 s PHE 70 N -0.98 1.33 -0.18 4.83 0.40 0.74 -4.95 117.98 119.16 1y14 s PHE 70 Ca 0.14 -0.26 -0.20 0.00 -0.60 0.00 0.00 56.93 56.02 1y14 s PHE 70 Cb -0.10 -0.85 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 1y14 s PHE 70 CO 0.05 -0.02 0.57 1.21 0.70 0.00 0.00 175.22 177.73 1y14 s ASN 71 N -0.39 6.65 -0.34 1.36 3.04 -1.26 -1.62 114.94 122.39 1y14 s ASN 71 Ca 0.06 0.78 -0.04 0.00 0.04 0.00 0.00 52.86 53.69 1y14 s ASN 71 Cb -0.06 -2.32 0.06 0.00 -1.54 0.00 0.00 41.25 37.39 1y14 s ASN 71 CO -0.00 -0.20 0.09 -0.69 -3.04 0.00 0.00 177.10 173.25 1y14 s VAL 72 N 1.60 3.43 -0.15 -5.21 1.01 -0.06 -1.80 120.40 119.22 1y14 s VAL 72 Ca 0.27 -1.37 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 1y14 s VAL 72 Cb -0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1y14 s VAL 72 CO 0.10 -0.24 0.37 -0.54 0.00 0.00 0.00 175.10 174.79 1y14 s LYS 73 N 1.31 4.28 0.31 2.72 1.02 -0.58 -1.24 119.74 127.57 1y14 s LYS 73 Ca -0.01 0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.14 1y14 s LYS 73 Cb -0.20 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 1y14 s LYS 73 CO 0.00 0.18 0.51 1.52 -0.92 0.00 0.00 175.35 176.64 1y14 s TYR 74 N 0.60 0.73 0.10 3.18 -0.85 -0.68 -2.53 117.35 117.89 1y14 s TYR 74 Ca 0.20 -1.05 0.08 0.00 -0.52 0.00 0.00 57.07 55.78 1y14 s TYR 74 Cb -0.14 0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 1y14 s TYR 74 CO 0.06 -1.13 -0.22 1.03 -1.52 0.00 0.00 175.55 173.78 1y14 s ARG 75 N -3.30 1.19 0.06 -3.49 0.52 -1.26 -0.84 118.95 111.84 1y14 s ARG 75 Ca 0.26 -1.15 -0.10 0.00 -0.52 0.00 0.00 55.73 54.22 1y14 s ARG 75 Cb -0.01 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 34.00 1y14 s ARG 75 CO 0.15 0.35 0.21 0.00 0.02 0.00 0.00 175.30 176.03 1y14 s ALA 76 N -1.10 -0.36 -0.10 2.13 0.00 -0.97 -0.17 121.76 121.19 1y14 s ALA 76 Ca 0.07 -0.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 1y14 s ALA 76 Cb -0.10 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1y14 s ALA 76 CO 0.04 -0.44 0.82 0.08 0.00 0.00 0.00 175.76 176.26 1y14 s VAL 77 N -3.14 4.93 0.11 0.00 1.01 -0.22 -1.47 120.40 121.62 1y14 s VAL 77 Ca -0.01 1.66 0.10 0.00 0.00 0.00 0.00 61.98 63.73 1y14 s VAL 77 Cb 0.02 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1y14 s VAL 77 CO -0.07 0.13 -0.25 -0.69 0.00 0.00 0.00 175.10 174.22 1y14 s VAL 78 N 1.45 2.06 -0.10 2.92 1.01 0.11 -1.73 120.40 126.13 1y14 s VAL 78 Ca 0.41 -1.63 0.03 0.00 0.00 0.00 0.00 61.98 60.79 1y14 s VAL 78 Cb -0.18 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1y14 s VAL 78 CO 0.18 0.09 -0.18 0.12 0.00 0.00 0.00 175.10 175.30 1y14 s PHE 79 N -1.04 2.11 -0.12 5.22 5.36 -0.37 -0.46 117.98 128.67 1y14 s PHE 79 Ca 0.11 -0.90 -0.05 0.00 -0.96 0.00 0.00 56.93 55.14 1y14 s PHE 79 Cb -0.10 -1.47 0.06 0.00 -0.34 0.00 0.00 43.02 41.18 1y14 s PHE 79 CO 0.05 -0.41 0.26 0.21 -1.46 0.00 0.00 175.22 173.87 1y14 s LYS 80 N 0.62 0.17 0.71 10.12 2.20 -0.11 -1.16 119.74 132.29 1y14 s LYS 80 Ca -0.14 0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 56.06 1y14 s LYS 80 Cb -0.16 -0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.12 1y14 s LYS 80 CO 0.04 -0.25 1.07 -1.25 -0.36 0.00 0.00 175.35 174.60 1y14 s PRO 81 N 2.08 2.82 -0.06 4.03 0.04 -1.26 -1.03 135.00 141.62 1y14 s PRO 81 Ca -0.02 0.76 -0.07 0.00 0.04 0.00 0.00 61.00 61.72 1y14 s PRO 81 Cb -0.11 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1y14 s PRO 81 CO -0.09 -1.13 0.18 -0.06 0.04 0.00 0.00 177.00 175.94 1y14 s PHE 82 N -3.15 -0.16 0.25 0.56 0.08 -1.26 -4.86 117.98 109.44 1y14 s PHE 82 Ca 0.58 0.39 -0.31 0.00 0.12 0.00 0.00 56.93 57.71 1y14 s PHE 82 Cb -0.13 0.05 -0.13 0.00 -0.57 0.00 0.00 43.02 42.24 1y14 s PHE 82 CO 0.54 -0.13 1.44 1.17 -0.10 0.00 0.00 175.22 178.14 1y14 n LYS 83 N 2.73 2.14 -0.05 0.44 4.81 -1.26 -1.47 118.16 125.50 1y14 n LYS 83 Ca -0.14 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1y14 n LYS 83 Cb 0.58 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.19 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 2.18 1.43 3.72 3.14 0.00 0.16 -5.02 105.19 110.79 1y14 n GLY 84 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.50 4.50 -0.21 1.61 2.12 -0.54 -4.75 118.70 120.92 1y14 s GLU 85 Ca 0.00 1.71 -0.11 0.00 0.36 0.00 0.00 54.97 56.92 1y14 s GLU 85 Cb 0.00 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 1y14 s GLU 85 CO 0.00 -0.13 0.18 0.08 -0.54 0.00 0.00 175.26 174.85 1y14 s VAL 86 N 0.66 5.36 0.06 3.70 1.01 -1.26 -0.93 120.40 129.00 1y14 s VAL 86 Ca 0.55 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1y14 s VAL 86 Cb -0.28 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1y14 s VAL 86 CO 0.31 0.37 -0.05 0.68 0.00 0.00 0.00 175.10 176.41 1y14 s VAL 87 N 0.78 0.44 0.03 2.92 -7.23 -0.38 -4.98 120.40 111.98 1y14 s VAL 87 Ca 0.10 -1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1y14 s VAL 87 Cb -0.13 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1y14 s VAL 87 CO 0.02 -0.74 0.15 -1.81 -0.31 0.00 0.00 175.10 172.42 1y14 s ASP 88 N -2.43 6.07 0.13 4.85 1.01 -1.26 -0.68 116.67 124.36 1y14 s ASP 88 Ca 0.01 0.21 -0.07 0.00 0.71 0.00 0.00 52.55 53.41 1y14 s ASP 88 Cb 0.00 -1.82 0.03 0.00 1.01 0.00 0.00 42.92 42.14 1y14 s ASP 88 CO -0.04 0.22 0.36 0.61 0.21 0.00 0.00 175.17 176.52 1y14 n GLY 89 N 0.68 1.37 3.35 0.21 0.00 -0.15 -4.81 105.19 105.84 1y14 n GLY 89 Ca -0.09 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.53 2.53 -0.02 2.61 2.01 -0.96 -0.51 115.64 118.76 1y14 s THR 90 Ca 0.07 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 1y14 s THR 90 Cb -0.02 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1y14 s THR 90 CO 0.04 0.57 1.28 -0.69 -0.69 0.00 0.00 174.62 175.13 1y14 s VAL 91 N -0.23 4.00 -0.39 3.82 1.01 -0.09 0.06 120.40 128.59 1y14 s VAL 91 Ca -0.01 1.36 0.09 0.00 0.00 0.00 0.00 61.98 63.43 1y14 s VAL 91 Cb -0.13 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1y14 s VAL 91 CO 0.03 0.01 0.37 1.33 0.00 0.00 0.00 175.10 176.84 1y14 n VAL 92 N 4.58 0.00 -3.58 2.92 0.24 -0.79 -0.42 118.33 121.27 1y14 n VAL 92 Ca 0.12 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 1y14 n VAL 92 Cb 0.45 0.93 -0.05 0.00 -1.47 0.00 0.00 33.84 33.69 1y14 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1y14 s SER 93 N -1.98 -0.38 0.10 -1.34 1.04 -1.25 -4.93 113.70 104.95 1y14 s SER 93 Ca 0.03 0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.96 1y14 s SER 93 Cb 0.07 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1y14 s SER 93 CO 0.38 -0.32 -0.11 0.00 0.98 0.00 0.00 173.24 174.16 1y14 s SER 95 N -2.36 0.03 0.41 0.00 1.04 0.13 -4.84 113.70 108.11 1y14 s SER 95 Ca 0.05 -1.17 0.15 0.00 0.48 0.00 0.00 55.95 55.46 1y14 s SER 95 Cb -0.04 0.84 0.88 0.00 0.10 0.00 0.00 66.02 67.79 1y14 s SER 95 CO 0.01 -1.67 1.90 0.06 0.98 0.00 0.00 173.24 174.52 1y14 h GLN 96 N 2.00 0.00 0.00 4.02 3.07 -1.99 -2.46 115.11 119.75 1y14 h GLN 96 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.41 1y14 h GLN 96 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 1y14 h GLN 96 CO 0.42 0.28 0.00 0.45 0.09 0.00 0.00 178.83 180.07 1y14 h HIS 97 N 0.00 0.00 0.00 0.06 3.86 -1.97 -3.44 115.15 113.66 1y14 h HIS 97 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1y14 h HIS 97 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1y14 h HIS 97 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1y14 n GLY 98 N 0.83 0.96 3.08 2.45 0.00 -0.93 -1.46 105.19 110.11 1y14 n GLY 98 Ca 0.03 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.04 0.72 0.05 1.61 -0.12 -0.94 -0.70 117.98 115.56 1y14 s PHE 99 Ca 0.00 -0.53 -0.08 0.00 -0.05 0.00 0.00 56.93 56.27 1y14 s PHE 99 Cb 0.00 -0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 1y14 s PHE 99 CO 0.00 -0.08 0.33 -1.21 -0.05 0.00 0.00 175.22 174.21 1y14 s GLU 100 N -1.79 3.66 -0.11 1.99 2.02 -0.58 -1.41 118.70 122.48 1y14 s GLU 100 Ca -0.08 0.03 0.02 0.00 0.02 0.00 0.00 54.97 54.97 1y14 s GLU 100 Cb -0.09 -3.03 0.01 0.00 0.10 0.00 0.00 34.13 31.12 1y14 s GLU 100 CO 0.00 0.60 -0.19 0.08 0.02 0.00 0.00 175.26 175.77 1y14 s VAL 101 N -1.36 1.76 -0.19 2.63 1.01 0.63 -1.89 120.40 122.99 1y14 s VAL 101 Ca 0.31 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 1y14 s VAL 101 Cb -0.13 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 1y14 s VAL 101 CO 0.18 0.49 0.99 -1.58 0.00 0.00 0.00 175.10 175.18 1y14 s GLN 102 N 0.78 4.31 -0.30 2.72 2.00 0.11 0.22 119.66 129.50 1y14 s GLN 102 Ca -0.10 1.30 -0.01 0.00 -2.00 0.00 0.00 55.36 54.55 1y14 s GLN 102 Cb -0.16 -3.60 0.10 0.00 0.80 0.00 0.00 33.01 30.15 1y14 s GLN 102 CO 0.01 -0.49 0.09 0.08 -0.50 0.00 0.00 175.29 174.48 1y14 s VAL 103 N 2.69 0.87 0.00 1.34 1.01 0.20 -2.28 120.40 124.23 1y14 s VAL 103 Ca 0.44 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1y14 s VAL 103 Cb -0.16 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1y14 s VAL 103 CO 0.10 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1y14 n GLY 104 N 4.86 2.76 0.22 4.51 0.00 -1.26 -1.19 105.19 115.09 1y14 n GLY 104 Ca -0.03 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 13.50 1.21 -4.32 1.61 -0.04 -1.26 -4.91 135.00 140.80 1y14 n PRO 105 Ca 0.00 -0.45 -0.28 0.00 -0.04 0.00 0.00 63.50 62.73 1y14 n PRO 105 Cb 0.00 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.10 1.85 -0.20 0.54 0.00 -0.33 -5.11 119.30 113.94 1y14 s MET 106 Ca 0.40 -1.27 -0.05 0.00 0.00 0.00 0.00 55.69 54.77 1y14 s MET 106 Cb 0.21 -2.09 -0.02 0.00 0.00 0.00 0.00 34.83 32.93 1y14 s MET 106 CO 0.38 0.45 -0.00 0.15 0.00 0.00 0.00 175.02 176.00 1y14 s LYS 107 N -2.49 3.61 -0.24 4.11 1.02 -1.26 0.60 119.74 125.08 1y14 s LYS 107 Ca 0.21 -0.52 -0.10 0.00 0.02 0.00 0.00 55.97 55.58 1y14 s LYS 107 Cb -0.09 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.09 1y14 s LYS 107 CO 0.12 0.01 0.15 0.08 -0.92 0.00 0.00 175.35 174.79 1y14 s VAL 108 N 1.00 5.18 -0.30 3.17 1.01 0.13 -4.30 120.40 126.30 1y14 s VAL 108 Ca 0.02 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1y14 s VAL 108 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1y14 s VAL 108 CO 0.02 0.34 0.33 0.12 0.00 0.00 0.00 175.10 175.90 1y14 s PHE 109 N 1.19 3.23 -0.35 5.22 5.36 -0.64 -0.27 117.98 131.73 1y14 s PHE 109 Ca 0.07 0.18 -0.16 0.00 -0.96 0.00 0.00 56.93 56.05 1y14 s PHE 109 Cb -0.14 -2.56 -0.01 0.00 -0.34 0.00 0.00 43.02 39.97 1y14 s PHE 109 CO 0.05 -0.29 0.41 0.08 -1.46 0.00 0.00 175.22 174.02 1y14 s VAL 110 N 1.98 5.12 0.57 3.12 1.01 -0.50 -0.31 120.40 131.38 1y14 s VAL 110 Ca 0.12 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 1y14 s VAL 110 Cb -0.16 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1y14 s VAL 110 CO 0.11 -0.15 1.03 0.42 0.00 0.00 0.00 175.10 176.51 1y14 s THR 111 N 2.14 4.16 0.60 3.92 -4.23 -1.25 -2.21 115.64 118.76 1y14 s THR 111 Ca 0.14 0.99 0.32 0.00 -1.18 0.00 0.00 61.69 61.96 1y14 s THR 111 Cb -0.16 -3.55 0.37 0.00 1.34 0.00 0.00 72.50 70.50 1y14 s THR 111 CO 0.12 -0.64 2.27 0.07 -0.54 0.00 0.00 174.62 175.90 1y14 h LYS 112 N 0.52 0.00 -0.00 3.99 2.10 -1.55 -0.38 116.57 121.25 1y14 h LYS 112 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1y14 h LYS 112 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1y14 h LYS 112 CO 0.59 0.00 -0.02 0.72 -2.00 0.00 0.00 179.45 178.74 1y14 n HIS 113 N -3.73 0.00 -1.21 0.07 8.25 -1.26 -3.15 115.22 114.18 1y14 n HIS 113 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1y14 n HIS 113 Cb 0.08 -0.34 0.24 0.00 1.12 0.00 0.00 29.99 31.09 1y14 n HIS 113 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y14 n LEU 114 N -1.33 4.53 -4.41 2.41 4.77 -0.15 -4.96 117.00 117.87 1y14 n LEU 114 Ca 0.12 -3.41 -0.23 0.00 -0.03 0.00 0.00 56.01 52.46 1y14 n LEU 114 Cb 0.27 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1y14 n LEU 114 CO 0.25 0.96 -0.48 -0.04 -1.33 0.00 0.00 177.39 176.75 1y14 s MET 115 N -3.07 1.49 0.53 3.23 -1.94 -1.19 -1.92 119.30 116.44 1y14 s MET 115 Ca 0.46 -1.61 -0.22 0.00 -1.71 0.00 0.00 55.69 52.61 1y14 s MET 115 Cb 0.39 -1.55 -0.06 0.00 2.01 0.00 0.00 34.83 35.62 1y14 s MET 115 CO 0.06 0.30 1.18 -2.30 -0.01 0.00 0.00 175.02 174.25 1y14 n PRO 116 N -0.23 1.43 0.27 2.03 -0.02 -1.26 -4.86 135.00 132.36 1y14 n PRO 116 Ca -0.09 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1y14 n PRO 116 Cb 0.59 -2.35 0.75 0.00 -0.02 0.00 0.00 33.50 32.46 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 1.24 0.00 0.00 -0.52 4.20 -1.97 -2.16 115.11 115.90 1y14 h GLN 117 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1y14 h GLN 117 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1y14 h GLN 117 CO 0.55 0.10 0.00 0.38 -0.67 0.00 0.00 178.83 179.20 1y14 h ASP 118 N 0.00 0.00 -3.35 1.46 2.03 -1.94 -3.42 116.42 111.20 1y14 h ASP 118 Ca -0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1y14 h ASP 118 Cb 0.28 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.70 1y14 h ASP 118 CO 0.01 0.00 0.72 -0.76 -1.03 0.00 0.00 179.24 178.18 1y14 s LEU 119 N -4.62 3.98 0.01 0.15 1.43 -0.81 -4.30 118.68 114.52 1y14 s LEU 119 Ca 0.06 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.13 1y14 s LEU 119 Cb 0.10 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 1y14 s LEU 119 CO 0.48 -0.81 -0.13 0.42 0.23 0.00 0.00 176.35 176.54 1y14 s THR 120 N 3.46 1.06 0.27 5.49 -4.23 -0.66 -4.86 115.64 116.18 1y14 s THR 120 Ca 0.42 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.89 1y14 s THR 120 Cb -0.13 -0.91 -0.11 0.00 1.34 0.00 0.00 72.50 72.69 1y14 s THR 120 CO 0.15 0.18 1.62 0.12 -0.54 0.00 0.00 174.62 176.15 1y14 s PHE 121 N -0.52 2.78 -0.94 3.99 5.36 -1.26 -2.16 117.98 125.23 1y14 s PHE 121 Ca 0.04 0.68 -0.09 0.00 -0.96 0.00 0.00 56.93 56.59 1y14 s PHE 121 Cb -0.06 -4.09 0.24 0.00 -0.34 0.00 0.00 43.02 38.77 1y14 s PHE 121 CO 0.00 -3.77 0.89 1.21 -1.46 0.00 0.00 175.22 172.09 1y14 s ASN 122 N 0.66 6.74 0.00 6.13 3.84 0.60 -4.87 114.94 128.04 1y14 s ASN 122 Ca 0.66 -3.26 0.05 0.00 0.21 0.00 0.00 52.86 50.52 1y14 s ASN 122 Cb -0.48 -2.13 0.29 0.00 -0.55 0.00 0.00 41.25 38.37 1y14 s ASN 122 CO 0.44 -0.37 0.68 0.00 -2.79 0.00 0.00 177.10 175.07 1y14 n ALA 123 N 3.12 1.73 0.54 1.71 0.00 -1.26 -1.73 120.51 124.61 1y14 n ALA 123 Ca 0.19 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.66 1y14 n ALA 123 Cb 0.41 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.83 1y14 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y14 n GLY 124 N -0.53 -0.14 3.98 0.00 0.00 -1.26 -5.03 105.19 102.21 1y14 n GLY 124 Ca 0.04 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1y14 n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y14 s SER 125 N -1.17 5.99 -0.19 1.61 1.04 -0.71 -5.10 113.70 115.18 1y14 s SER 125 Ca 0.14 0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.53 1y14 s SER 125 Cb 0.11 -1.43 0.09 0.00 0.10 0.00 0.00 66.02 64.89 1y14 s SER 125 CO 0.19 -0.46 0.35 0.21 0.98 0.00 0.00 173.24 174.51 1y14 s ASN 126 N -4.16 0.13 0.92 7.02 3.04 -1.26 -3.57 114.94 117.06 1y14 s ASN 126 Ca 0.44 0.65 -0.11 0.00 0.04 0.00 0.00 52.86 53.88 1y14 s ASN 126 Cb -0.10 1.05 0.14 0.00 -1.54 0.00 0.00 41.25 40.81 1y14 s ASN 126 CO 0.33 -0.25 1.11 -2.16 -3.04 0.00 0.00 177.10 173.09 1y14 s PRO 127 N 2.52 1.03 0.62 0.43 0.04 -1.26 -5.11 135.00 133.27 1y14 s PRO 127 Ca 0.03 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 1y14 s PRO 127 Cb -0.13 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1y14 s PRO 127 CO -0.12 -2.54 1.05 -2.30 0.04 0.00 0.00 177.00 173.13 1y14 n PRO 128 N -4.15 0.95 -3.74 0.56 -0.02 -1.23 -4.91 135.00 122.46 1y14 n PRO 128 Ca 0.09 0.37 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1y14 n PRO 128 Cb 0.53 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1y14 n PRO 128 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1y14 s SER 129 N -1.29 -0.31 0.04 2.55 1.04 -1.26 -4.29 113.70 110.18 1y14 s SER 129 Ca 0.78 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.82 1y14 s SER 129 Cb -0.41 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1y14 s SER 129 CO 0.45 -1.17 -0.20 -0.31 0.98 0.00 0.00 173.24 172.99 1y14 s TYR 130 N -3.88 2.50 0.11 5.02 1.51 -0.17 -0.29 117.35 122.16 1y14 s TYR 130 Ca 0.09 -0.29 -0.14 0.00 -1.01 0.00 0.00 57.07 55.72 1y14 s TYR 130 Cb -0.03 -1.45 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1y14 s TYR 130 CO 0.00 0.23 0.33 1.14 -1.11 0.00 0.00 175.55 176.14 1y14 s GLN 131 N -1.40 1.00 0.00 -0.62 -2.07 -0.92 -0.32 119.66 115.33 1y14 s GLN 131 Ca 0.14 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 1y14 s GLN 131 Cb -0.10 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 1y14 s GLN 131 CO 0.04 -0.37 0.00 0.45 -1.32 0.00 0.00 175.29 174.09 1y14 n SER 132 N -0.17 0.21 0.11 12.60 2.88 -0.70 -1.65 113.62 126.91 1y14 n SER 132 Ca -0.16 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1y14 n SER 132 Cb 0.63 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.55 1y14 n SER 132 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1y14 n SER 133 N 0.00 0.70 0.02 -3.46 7.64 -1.26 -4.47 113.62 112.79 1y14 n SER 133 Ca 0.00 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1y14 n SER 133 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1y14 n SER 133 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1y14 n GLU 134 N -2.22 0.00 -3.23 1.43 0.28 -1.26 -5.12 120.64 110.52 1y14 n GLU 134 Ca 0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.77 1y14 n GLU 134 Cb 0.31 -0.20 -0.02 0.00 1.43 0.00 0.00 31.44 32.96 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 -5.08 6.37 -0.24 -1.84 1.01 -1.26 -5.09 116.67 110.54 1y14 s ASP 135 Ca 0.00 0.67 -0.02 0.00 0.71 0.00 0.00 52.55 53.91 1y14 s ASP 135 Cb 0.00 -2.13 0.07 0.00 1.01 0.00 0.00 42.92 41.88 1y14 s ASP 135 CO 0.00 -0.29 0.05 -0.69 0.21 0.00 0.00 175.17 174.45 1y14 s VAL 136 N -2.26 0.73 -0.33 -1.27 1.01 -1.26 -1.71 120.40 115.31 1y14 s VAL 136 Ca 0.43 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1y14 s VAL 136 Cb -0.10 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1y14 s VAL 136 CO 0.34 -0.37 0.34 -0.63 0.00 0.00 0.00 175.10 174.77 1y14 s ILE 137 N 1.74 5.19 0.15 2.22 1.01 0.56 -4.97 121.20 127.10 1y14 s ILE 137 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1y14 s ILE 137 Cb -0.17 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 1y14 s ILE 137 CO -0.15 -0.02 0.19 1.07 0.00 0.00 0.00 174.94 176.03 1y14 n THR 138 N 5.19 0.00 -1.66 2.92 5.66 -1.26 -1.00 114.28 124.13 1y14 n THR 138 Ca -0.10 -0.83 -0.46 0.00 -3.05 0.00 0.00 64.05 59.62 1y14 n THR 138 Cb 0.50 0.48 -0.04 0.00 -1.55 0.00 0.00 70.33 69.72 1y14 n THR 138 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1y14 n ILE 139 N -0.25 0.36 -0.43 1.09 5.41 -1.26 -1.20 119.36 123.08 1y14 n ILE 139 Ca 0.01 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1y14 n ILE 139 Cb 0.25 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 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 2.83 0.00 -2.11 0.38 5.02 0.44 -4.98 118.16 119.73 1y14 n LYS 140 Ca 0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.03 1y14 n LYS 140 Cb 0.29 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1y14 n LYS 140 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1y14 s SER 141 N -3.25 6.74 -0.01 4.39 0.01 -0.34 -4.69 113.70 116.56 1y14 s SER 141 Ca 0.00 2.69 -0.19 0.00 1.31 0.00 0.00 55.95 59.76 1y14 s SER 141 Cb 0.00 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 1y14 s SER 141 CO 0.00 -0.55 0.54 -0.13 0.41 0.00 0.00 173.24 173.51 1y14 s ARG 142 N -1.83 4.24 -0.06 12.44 1.81 -1.26 -0.92 118.95 133.37 1y14 s ARG 142 Ca 0.49 0.64 -0.11 0.00 -1.72 0.00 0.00 55.73 55.03 1y14 s ARG 142 Cb -0.40 -3.32 0.02 0.00 -0.45 0.00 0.00 34.95 30.80 1y14 s ARG 142 CO 0.53 0.43 0.28 -1.50 -0.68 0.00 0.00 175.30 174.35 1y14 s ILE 143 N -0.34 0.03 -0.29 1.52 2.07 0.34 -1.76 121.20 122.76 1y14 s ILE 143 Ca 0.29 -0.24 -0.12 0.00 -1.41 0.00 0.00 60.65 59.17 1y14 s ILE 143 Cb -0.18 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 1y14 s ILE 143 CO 0.16 -0.13 0.22 -0.60 -1.91 0.00 0.00 174.94 172.67 1y14 s ARG 144 N -0.52 3.88 0.23 3.50 3.52 0.67 -0.97 118.95 129.26 1y14 s ARG 144 Ca -0.06 -0.34 0.07 0.00 -0.13 0.00 0.00 55.73 55.27 1y14 s ARG 144 Cb -0.04 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1y14 s ARG 144 CO 0.02 -0.23 -0.11 0.14 -0.81 0.00 0.00 175.30 174.31 1y14 s VAL 145 N 1.78 1.64 -0.16 7.11 -7.23 0.15 -0.24 120.40 123.45 1y14 s VAL 145 Ca 0.08 -2.17 -0.02 0.00 -1.81 0.00 0.00 61.98 58.06 1y14 s VAL 145 Cb -0.16 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 1y14 s VAL 145 CO 0.11 -0.49 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.57 1y14 s LYS 146 N -3.69 3.46 -0.46 4.82 2.20 0.10 -1.25 119.74 124.92 1y14 s LYS 146 Ca 0.25 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 1y14 s LYS 146 Cb 0.01 -2.79 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1y14 s LYS 146 CO 0.08 0.14 1.29 0.42 -0.36 0.00 0.00 175.35 176.92 1y14 s ILE 147 N 0.58 4.02 -0.09 5.43 1.01 -0.10 -0.62 121.20 131.43 1y14 s ILE 147 Ca -0.06 1.03 0.14 0.00 0.00 0.00 0.00 60.65 61.76 1y14 s ILE 147 Cb -0.15 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1y14 s ILE 147 CO 0.03 -0.92 1.26 -0.33 0.00 0.00 0.00 174.94 174.98 1y14 h GLU 148 N 10.07 0.00 -1.80 2.79 4.39 -1.28 0.44 114.58 129.19 1y14 h GLU 148 Ca -0.25 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.45 1y14 h GLU 148 Cb 1.08 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.52 1y14 h GLU 148 CO 1.12 0.56 0.36 0.20 -1.16 0.00 0.00 179.01 180.08 1y14 s GLY 149 N -4.60 -0.43 -0.09 -3.84 0.00 -1.03 -4.74 107.32 92.59 1y14 s GLY 149 Ca 0.02 1.66 0.03 0.00 0.00 0.00 0.00 44.72 46.42 1y14 s GLY 149 CO 0.78 1.00 -0.16 0.00 0.00 0.00 0.00 173.10 174.72 1y14 s ILE 151 N 0.68 3.89 -0.28 0.00 1.01 0.12 -4.94 121.20 121.68 1y14 s ILE 151 Ca -0.13 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 1y14 s ILE 151 Cb -0.16 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 1y14 s ILE 151 CO 0.03 0.33 0.13 -0.94 0.00 0.00 0.00 174.94 174.50 1y14 s SER 152 N 1.54 5.48 0.58 3.58 1.04 -1.26 -0.43 113.70 124.24 1y14 s SER 152 Ca 0.06 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.23 1y14 s SER 152 Cb -0.15 -2.00 0.08 0.00 0.10 0.00 0.00 66.02 64.05 1y14 s SER 152 CO 0.01 -0.11 0.80 -1.10 0.98 0.00 0.00 173.24 173.82 1y14 s GLN 153 N 1.64 2.27 0.13 4.02 -1.52 -0.25 -4.91 119.66 121.05 1y14 s GLN 153 Ca 0.06 -1.32 -0.19 0.00 -1.95 0.00 0.00 55.36 51.95 1y14 s GLN 153 Cb -0.16 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.04 1y14 s GLN 153 CO 0.06 -0.88 1.72 0.28 -0.25 0.00 0.00 175.29 176.23 1y14 h VAL 154 N 0.07 0.87 -0.41 1.09 2.07 -1.97 -2.09 116.25 115.88 1y14 h VAL 154 Ca -0.35 -0.03 -0.30 0.00 0.82 0.00 0.00 66.70 66.84 1y14 h VAL 154 Cb 1.28 0.77 -0.29 0.00 -1.52 0.00 0.00 31.29 31.54 1y14 h VAL 154 CO 0.43 0.02 -0.77 -1.54 0.02 0.00 0.00 177.57 175.72 1y14 n SER 155 N -5.12 3.14 -3.51 0.57 3.41 -1.26 -2.74 113.62 108.10 1y14 n SER 155 Ca -0.02 -3.43 -0.09 0.00 -0.26 0.00 0.00 58.87 55.06 1y14 n SER 155 Cb 0.11 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 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 -3.37 -0.38 -0.01 4.04 1.04 -1.24 -4.56 113.70 109.22 1y14 s SER 156 Ca 0.42 0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.97 1y14 s SER 156 Cb 0.38 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.88 1y14 s SER 156 CO -0.02 -0.59 -0.14 -0.63 0.98 0.00 0.00 173.24 172.84 1y14 s ILE 157 N -2.81 1.10 -0.03 -1.02 1.01 -1.26 -1.09 121.20 117.10 1y14 s ILE 157 Ca 0.04 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.16 1y14 s ILE 157 Cb -0.01 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1y14 s ILE 157 CO -0.07 0.31 -0.23 -1.00 0.00 0.00 0.00 174.94 173.95 1y14 s HIS 158 N -0.30 2.12 -0.03 3.97 3.76 0.43 -4.96 115.29 120.28 1y14 s HIS 158 Ca 0.05 -0.45 0.06 0.00 -0.15 0.00 0.00 55.06 54.57 1y14 s HIS 158 Cb -0.06 -1.37 -0.01 0.00 1.11 0.00 0.00 32.58 32.25 1y14 s HIS 158 CO -0.00 -0.07 -0.21 0.00 -0.85 0.00 0.00 174.74 173.60 1y14 s ALA 159 N -0.46 1.81 -0.09 -1.40 0.00 -1.26 0.15 121.76 120.51 1y14 s ALA 159 Ca 0.06 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1y14 s ALA 159 Cb -0.10 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1y14 s ALA 159 CO -0.00 0.40 -0.18 0.42 0.00 0.00 0.00 175.76 176.39 1y14 s ILE 160 N -0.31 2.61 0.39 0.00 -1.09 0.18 -1.61 121.20 121.37 1y14 s ILE 160 Ca 0.03 -0.84 0.04 0.00 -2.23 0.00 0.00 60.65 57.65 1y14 s ILE 160 Cb -0.10 -2.04 -0.05 0.00 -1.58 0.00 0.00 42.46 38.69 1y14 s ILE 160 CO 0.01 0.55 0.06 -0.83 -1.23 0.00 0.00 174.94 173.50 1y14 s GLY 161 N 0.05 2.43 0.04 6.18 0.00 0.58 -0.78 107.32 115.82 1y14 s GLY 161 Ca -0.07 -1.62 -0.00 0.00 0.00 0.00 0.00 44.72 43.03 1y14 s GLY 161 CO 0.05 -1.92 -0.03 -0.45 0.00 0.00 0.00 173.10 170.74 1y14 s SER 162 N -3.61 0.41 -0.04 1.64 0.15 0.20 -3.86 113.70 108.58 1y14 s SER 162 Ca 0.28 -0.74 0.10 0.00 0.70 0.00 0.00 55.95 56.29 1y14 s SER 162 Cb 0.06 0.14 0.17 0.00 -1.71 0.00 0.00 66.02 64.69 1y14 s SER 162 CO 0.14 -0.43 1.08 2.30 1.20 0.00 0.00 173.24 177.52 1y14 n ILE 163 N 0.88 0.45 -0.00 6.45 -5.35 -0.81 -0.72 119.36 120.26 1y14 n ILE 163 Ca -0.19 -0.82 -0.17 0.00 -0.27 0.00 0.00 62.75 61.30 1y14 n ILE 163 Cb 0.58 0.45 -0.10 0.00 -1.74 0.00 0.00 39.64 38.82 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 0.48 -7.32 6.28 1.57 -1.88 -3.41 116.57 112.59 1y14 h LYS 164 Ca -0.05 -0.47 -0.43 0.00 -1.87 0.00 0.00 60.65 57.82 1y14 h LYS 164 Cb 1.42 0.12 0.18 0.00 0.08 0.00 0.00 32.23 34.04 1y14 h LYS 164 CO 0.02 1.11 0.12 -1.21 -0.57 0.00 0.00 179.45 178.93 1y14 s GLU 165 N -3.37 -0.57 0.34 3.15 0.41 -1.26 -4.86 118.70 112.54 1y14 s GLU 165 Ca -0.13 0.34 -0.28 0.00 -0.41 0.00 0.00 54.97 54.49 1y14 s GLU 165 Cb 0.05 -1.64 -0.10 0.00 -1.78 0.00 0.00 34.13 30.66 1y14 s GLU 165 CO 0.84 -3.36 1.28 -0.51 -0.49 0.00 0.00 175.26 173.01 1y14 s ASP 166 N -3.43 6.72 -0.26 -0.19 1.01 -1.26 -3.16 116.67 116.10 1y14 s ASP 166 Ca 0.68 2.62 0.00 0.00 0.71 0.00 0.00 52.55 56.56 1y14 s ASP 166 Cb -0.17 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.12 1y14 s ASP 166 CO 0.58 -0.56 0.00 -1.22 0.21 0.00 0.00 175.17 174.18 1y14 n TYR 167 N 0.67 0.00 -4.09 4.23 0.53 -1.26 -5.03 117.16 112.22 1y14 n TYR 167 Ca 0.01 0.00 -0.23 0.00 -1.02 0.00 0.00 57.90 56.66 1y14 n TYR 167 Cb 0.43 -0.84 -0.06 0.00 -1.03 0.00 0.00 39.34 37.84 1y14 n TYR 167 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1y14 s LEU 168 N -0.56 3.30 0.00 7.72 1.43 -1.19 -4.94 118.68 124.44 1y14 s LEU 168 Ca 0.00 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1y14 s LEU 168 Cb 0.00 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1y14 s LEU 168 CO 0.00 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1y14 n GLY 169 N -1.15 -0.57 3.65 -3.19 0.00 0.67 -4.93 105.19 99.68 1y14 n GLY 169 Ca -0.03 -2.11 -0.47 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.48 0.83 1.22 4.61 0.00 -1.26 -0.24 120.51 125.18 1y14 n ALA 170 Ca 0.00 0.45 0.13 0.00 0.00 0.00 0.00 53.44 54.02 1y14 n ALA 170 Cb 0.00 -2.30 0.29 0.00 0.00 0.00 0.00 19.45 17.44 1y14 n ALA 170 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61