#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x86 s ILE 4 N 0.00 3.62 -0.12 0.00 1.01 -1.24 -4.98 121.20 119.48 1x86 s ILE 4 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1x86 s ILE 4 Cb 0.00 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1x86 s ILE 4 CO 0.00 0.52 0.31 -0.60 0.00 0.00 0.00 174.94 175.17 1x86 s ARG 5 N 0.20 4.11 -0.08 2.79 3.52 -1.26 0.11 118.95 128.35 1x86 s ARG 5 Ca -0.04 0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.74 1x86 s ARG 5 Cb -0.14 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1x86 s ARG 5 CO 0.04 0.37 -0.14 0.15 -0.81 0.00 0.00 175.30 174.91 1x86 s LYS 6 N 0.04 1.92 -0.94 5.12 -0.14 -1.20 -4.92 119.74 119.62 1x86 s LYS 6 Ca 0.18 -0.48 -0.24 0.00 -1.36 0.00 0.00 55.97 54.07 1x86 s LYS 6 Cb -0.14 -1.58 0.04 0.00 -1.68 0.00 0.00 37.83 34.48 1x86 s LYS 6 CO 0.06 0.02 1.40 0.21 -0.76 0.00 0.00 175.35 176.29 1x86 s LYS 7 N 0.71 3.47 -0.67 1.68 2.20 -1.26 -0.82 119.74 125.05 1x86 s LYS 7 Ca -0.13 -0.86 -0.24 0.00 -0.36 0.00 0.00 55.97 54.38 1x86 s LYS 7 Cb -0.16 -5.02 0.06 0.00 -1.51 0.00 0.00 37.83 31.20 1x86 s LYS 7 CO 0.03 -2.20 1.03 -1.17 -0.36 0.00 0.00 175.35 172.68 1x86 s LEU 8 N 5.22 4.11 0.43 5.43 0.20 0.66 -2.21 118.68 132.53 1x86 s LEU 8 Ca 0.43 -0.83 -0.06 0.00 0.69 0.00 0.00 54.13 54.37 1x86 s LEU 8 Cb -0.02 -2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 1x86 s LEU 8 CO -0.03 -1.51 0.73 -0.69 -0.29 0.00 0.00 176.35 174.57 1x86 s VAL 9 N 4.40 4.92 -0.07 1.68 1.01 -0.99 -0.16 120.40 131.19 1x86 s VAL 9 Ca 0.25 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1x86 s VAL 9 Cb -0.15 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1x86 s VAL 9 CO 0.12 -0.70 0.05 -0.51 0.00 0.00 0.00 175.10 174.06 1x86 s ILE 10 N -2.55 0.00 -0.07 2.22 2.07 -1.11 -1.97 121.20 119.79 1x86 s ILE 10 Ca 0.47 0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.99 1x86 s ILE 10 Cb -0.10 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.18 1x86 s ILE 10 CO 0.40 0.11 -0.17 0.68 -1.91 0.00 0.00 174.94 174.04 1x86 s VAL 11 N 2.12 1.49 -0.19 4.00 -7.23 -0.70 -3.37 120.40 116.52 1x86 s VAL 11 Ca 0.04 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 1x86 s VAL 11 Cb -0.13 -1.31 0.15 0.00 0.56 0.00 0.00 36.38 35.65 1x86 s VAL 11 CO -0.05 0.43 1.13 -0.83 -0.31 0.00 0.00 175.10 175.48 1x86 s GLY 12 N 0.39 -0.17 0.73 2.32 0.00 -1.26 -2.89 107.32 106.43 1x86 s GLY 12 Ca -0.13 2.15 -0.17 0.00 0.00 0.00 0.00 44.72 46.57 1x86 s GLY 12 CO 0.05 0.94 -0.37 1.22 0.00 0.00 0.00 173.10 174.94 1x86 n ASP 13 N 0.48 -4.52 -0.19 1.64 9.92 -1.26 -4.80 116.55 117.82 1x86 n ASP 13 Ca -0.05 0.45 -0.05 0.00 -0.53 0.00 0.00 54.79 54.61 1x86 n ASP 13 Cb 0.58 -0.83 -0.05 0.00 -0.64 0.00 0.00 41.12 40.18 1x86 n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x86 n GLY 14 N 2.87 -2.15 0.27 0.44 0.00 -1.26 -2.66 105.19 102.69 1x86 n GLY 14 Ca 0.04 0.72 -0.09 0.00 0.00 0.00 0.00 46.02 46.69 1x86 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 h ALA 15 N -0.08 0.78 -0.66 4.61 0.00 -2.03 -3.43 119.26 118.45 1x86 h ALA 15 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1x86 h ALA 15 Cb 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1x86 h ALA 15 CO -0.43 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1x86 n GLY 17 N -0.50 0.00 0.07 0.00 0.00 -1.26 -4.78 105.19 98.72 1x86 n GLY 17 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1x86 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x86 h LYS 18 N 0.00 0.01 -0.36 1.61 1.57 -1.90 -2.76 116.57 114.74 1x86 h LYS 18 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1x86 h LYS 18 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1x86 h LYS 18 CO 0.00 0.85 0.17 1.15 -0.57 0.00 0.00 179.45 181.04 1x86 h THR 19 N -0.81 1.13 0.52 -0.16 2.02 -1.96 -2.97 112.91 110.69 1x86 h THR 19 Ca -0.00 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1x86 h THR 19 Cb 0.86 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1x86 h THR 19 CO 0.00 0.15 -0.25 0.00 0.37 0.00 0.00 175.52 175.80 1x86 n LEU 21 N -5.26 -0.06 0.01 0.00 7.94 -1.04 0.71 117.00 119.31 1x86 n LEU 21 Ca -0.10 0.77 -0.13 0.00 -1.11 0.00 0.00 56.01 55.44 1x86 n LEU 21 Cb 0.31 -0.28 -0.14 0.00 0.53 0.00 0.00 43.42 43.84 1x86 n LEU 21 CO 0.26 -0.78 -0.46 -0.07 -1.11 0.00 0.00 177.39 175.23 1x86 h LEU 22 N 0.00 0.18 -0.32 -1.96 3.38 -1.48 -0.01 115.31 115.10 1x86 h LEU 22 Ca 0.27 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1x86 h LEU 22 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1x86 h LEU 22 CO -0.43 1.28 0.04 0.40 0.09 0.00 0.00 178.44 179.82 1x86 h ILE 23 N 0.03 1.24 0.78 1.22 2.04 0.07 -1.15 117.51 121.74 1x86 h ILE 23 Ca -0.27 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1x86 h ILE 23 Cb 1.99 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1x86 h ILE 23 CO 0.11 0.28 -0.46 0.58 0.00 0.00 0.00 178.15 178.66 1x86 h VAL 24 N 0.36 0.07 -0.50 1.67 2.07 0.24 -1.76 116.25 118.40 1x86 h VAL 24 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1x86 h VAL 24 Cb 0.38 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1x86 h VAL 24 CO 0.01 0.00 0.34 0.15 0.02 0.00 0.00 177.57 178.08 1x86 h PHE 25 N -1.16 0.45 0.00 1.57 3.57 -1.04 0.65 116.94 120.97 1x86 h PHE 25 Ca -0.10 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.35 1x86 h PHE 25 Cb 0.93 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1x86 h PHE 25 CO -0.09 0.24 -0.27 0.66 -2.23 0.00 0.00 178.31 176.62 1x86 h SER 26 N 0.45 0.00 0.00 0.41 4.64 -1.00 -3.30 113.55 114.74 1x86 h SER 26 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1x86 h SER 26 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1x86 h SER 26 CO -0.06 0.27 -0.04 0.29 -0.87 0.00 0.00 176.83 176.42 1x86 n LYS 27 N -3.21 1.87 -2.83 4.77 5.02 -0.68 -4.98 118.16 118.12 1x86 n LYS 27 Ca 0.02 -1.51 -0.10 0.00 -2.02 0.00 0.00 58.31 54.70 1x86 n LYS 27 Cb 0.59 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.60 1x86 n LYS 27 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x86 n ASP 28 N -0.57 0.01 -3.67 4.39 8.00 0.22 -4.85 116.55 120.09 1x86 n ASP 28 Ca 0.03 -0.38 -0.08 0.00 0.71 0.00 0.00 54.79 55.08 1x86 n ASP 28 Cb 0.41 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.95 1x86 n ASP 28 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1x86 s GLN 29 N -3.82 0.48 -0.15 -1.24 0.74 -1.10 -5.04 119.66 109.54 1x86 s GLN 29 Ca 0.08 1.06 -0.19 0.00 0.05 0.00 0.00 55.36 56.37 1x86 s GLN 29 Cb -0.05 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.27 1x86 s GLN 29 CO 0.30 -0.19 0.51 0.12 -0.55 0.00 0.00 175.29 175.48 1x86 s PHE 30 N 2.00 3.46 -0.56 1.67 5.36 -1.26 -4.14 117.98 124.51 1x86 s PHE 30 Ca -0.07 0.87 -0.27 0.00 -0.96 0.00 0.00 56.93 56.50 1x86 s PHE 30 Cb -0.09 -2.61 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 1x86 s PHE 30 CO -0.15 0.06 1.77 -1.25 -1.46 0.00 0.00 175.22 174.19 1x86 s PRO 31 N 1.01 2.85 0.32 10.12 0.04 -1.26 -4.81 135.00 143.27 1x86 s PRO 31 Ca 0.26 0.69 0.26 0.00 0.04 0.00 0.00 61.00 62.25 1x86 s PRO 31 Cb -0.15 -4.31 1.06 0.00 0.04 0.00 0.00 34.50 31.13 1x86 s PRO 31 CO 0.10 -2.46 1.77 0.93 0.04 0.00 0.00 177.00 177.38 1x86 h GLU 32 N 13.93 0.00 0.00 4.56 5.08 -1.99 -3.38 114.58 132.77 1x86 h GLU 32 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1x86 h GLU 32 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1x86 h GLU 32 CO 1.18 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 179.47 1x86 n VAL 33 N -2.43 0.00 -3.96 3.13 0.31 -1.26 -4.97 118.33 109.15 1x86 n VAL 33 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.00 1x86 n VAL 33 Cb 0.26 -0.35 -0.13 0.00 -0.91 0.00 0.00 33.84 32.71 1x86 n VAL 33 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1x86 s TYR 34 N 0.00 3.02 -0.20 3.52 5.04 -1.26 -5.08 117.35 122.40 1x86 s TYR 34 Ca 0.00 -0.60 -0.29 0.00 -2.44 0.00 0.00 57.07 53.74 1x86 s TYR 34 Cb 0.00 -2.12 -0.00 0.00 0.35 0.00 0.00 41.96 40.18 1x86 s TYR 34 CO 0.00 -0.36 1.17 0.08 -1.34 0.00 0.00 175.55 175.09 1x86 s VAL 35 N 1.29 4.45 0.67 3.14 1.01 -1.26 -4.79 120.40 124.90 1x86 s VAL 35 Ca 0.04 1.75 -0.10 0.00 0.00 0.00 0.00 61.98 63.67 1x86 s VAL 35 Cb -0.15 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1x86 s VAL 35 CO 0.01 -0.17 1.04 -2.16 0.00 0.00 0.00 175.10 173.82 1x86 s PRO 36 N 3.39 2.94 -0.11 2.72 0.05 -1.26 -5.00 135.00 137.73 1x86 s PRO 36 Ca 0.50 0.36 0.16 0.00 0.05 0.00 0.00 61.00 62.08 1x86 s PRO 36 Cb -0.19 -2.09 -0.24 0.00 0.05 0.00 0.00 34.50 32.03 1x86 s PRO 36 CO 0.11 -0.91 0.20 2.41 0.05 0.00 0.00 177.00 178.86 1x86 n THR 37 N -2.87 0.69 -4.36 1.26 -1.04 -1.26 -4.91 114.28 101.78 1x86 n THR 37 Ca 0.06 -0.59 -0.34 0.00 -2.04 0.00 0.00 64.05 61.14 1x86 n THR 37 Cb 0.57 -0.29 -0.12 0.00 -1.82 0.00 0.00 70.33 68.67 1x86 n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x86 s VAL 38 N -2.76 4.01 -0.18 12.58 1.01 -1.26 -5.03 120.40 128.78 1x86 s VAL 38 Ca -0.08 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1x86 s VAL 38 Cb 0.08 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1x86 s VAL 38 CO 0.72 0.50 -0.18 0.12 0.00 0.00 0.00 175.10 176.26 1x86 s PHE 39 N 0.27 2.78 0.86 5.22 5.36 -1.26 -5.12 117.98 126.10 1x86 s PHE 39 Ca -0.02 -1.48 -0.12 0.00 -0.96 0.00 0.00 56.93 54.35 1x86 s PHE 39 Cb -0.14 -1.92 0.11 0.00 -0.34 0.00 0.00 43.02 40.73 1x86 s PHE 39 CO 0.03 -0.73 1.13 -1.21 -1.46 0.00 0.00 175.22 172.98 1x86 s GLU 40 N 1.20 1.56 0.11 10.12 2.02 -1.26 -4.67 118.70 127.78 1x86 s GLU 40 Ca 0.02 0.36 -0.31 0.00 0.02 0.00 0.00 54.97 55.06 1x86 s GLU 40 Cb -0.14 -1.88 -0.08 0.00 0.10 0.00 0.00 34.13 32.13 1x86 s GLU 40 CO -0.09 -1.92 1.46 -0.80 0.02 0.00 0.00 175.26 173.92 1x86 s ASN 41 N -4.09 6.75 -0.02 -0.19 -0.87 -1.26 -4.74 114.94 110.52 1x86 s ASN 41 Ca 0.63 2.39 -0.01 0.00 -1.57 0.00 0.00 52.86 54.30 1x86 s ASN 41 Cb -0.14 -2.58 0.02 0.00 -0.02 0.00 0.00 41.25 38.52 1x86 s ASN 41 CO 0.53 -0.72 0.03 -0.47 -2.57 0.00 0.00 177.10 173.90 1x86 s TYR 42 N 1.37 -0.01 -0.28 2.20 5.04 -1.08 -4.96 117.35 119.62 1x86 s TYR 42 Ca 0.67 0.11 -0.17 0.00 -2.44 0.00 0.00 57.07 55.24 1x86 s TYR 42 Cb -0.38 -0.09 -0.03 0.00 0.35 0.00 0.00 41.96 41.81 1x86 s TYR 42 CO 0.30 -0.05 0.45 0.08 -1.34 0.00 0.00 175.55 175.00 1x86 s VAL 43 N 0.50 5.10 0.19 3.14 1.01 -1.26 -0.04 120.40 129.04 1x86 s VAL 43 Ca -0.04 0.65 0.09 0.00 0.00 0.00 0.00 61.98 62.68 1x86 s VAL 43 Cb -0.06 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1x86 s VAL 43 CO -0.02 0.06 -0.11 0.00 0.00 0.00 0.00 175.10 175.04 1x86 s ALA 44 N 2.22 2.92 0.05 5.51 0.00 -0.59 -5.01 121.76 126.86 1x86 s ALA 44 Ca 0.18 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.64 1x86 s ALA 44 Cb -0.16 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1x86 s ALA 44 CO 0.10 0.44 0.10 -0.51 0.00 0.00 0.00 175.76 175.89 1x86 s ASP 45 N -2.90 5.71 -0.28 0.00 1.11 -1.26 -2.42 116.67 116.62 1x86 s ASP 45 Ca 0.25 0.08 -0.16 0.00 0.18 0.00 0.00 52.55 52.90 1x86 s ASP 45 Cb -0.08 -1.60 0.11 0.00 1.07 0.00 0.00 42.92 42.41 1x86 s ASP 45 CO 0.15 0.20 0.82 -0.51 1.18 0.00 0.00 175.17 177.01 1x86 s ILE 46 N -1.36 0.00 0.02 0.77 2.07 -1.12 -4.99 121.20 116.59 1x86 s ILE 46 Ca 0.28 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.33 1x86 s ILE 46 Cb -0.12 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.41 1x86 s ILE 46 CO 0.21 0.00 0.58 -0.70 -1.91 0.00 0.00 174.94 173.12 1x86 s GLU 47 N 1.47 4.27 -0.12 3.50 2.12 -1.26 -1.82 118.70 126.86 1x86 s GLU 47 Ca -0.09 0.73 -0.06 0.00 0.36 0.00 0.00 54.97 55.90 1x86 s GLU 47 Cb -0.04 -3.30 0.05 0.00 0.26 0.00 0.00 34.13 31.09 1x86 s GLU 47 CO -0.17 0.47 0.28 0.14 -0.54 0.00 0.00 175.26 175.44 1x86 s VAL 48 N -0.53 -0.06 -1.34 3.70 -7.23 -0.59 -4.89 120.40 109.46 1x86 s VAL 48 Ca 0.30 0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.51 1x86 s VAL 48 Cb -0.19 -0.43 0.08 0.00 0.56 0.00 0.00 36.38 36.40 1x86 s VAL 48 CO 0.18 0.06 0.55 0.47 -0.31 0.00 0.00 175.10 176.04 1x86 n ASP 49 N 4.31 -3.71 -0.03 4.85 10.43 -1.26 0.93 116.55 132.07 1x86 n ASP 49 Ca -0.24 -0.48 -0.00 0.00 2.57 0.00 0.00 54.79 56.64 1x86 n ASP 49 Cb 0.53 -3.06 -0.00 0.00 1.84 0.00 0.00 41.12 40.43 1x86 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x86 n GLY 50 N -1.22 0.41 3.16 0.44 0.00 -1.26 -5.01 105.19 101.71 1x86 n GLY 50 Ca -0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1x86 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x86 s LYS 51 N -0.63 3.05 -0.27 1.61 1.02 0.26 -5.09 119.74 119.70 1x86 s LYS 51 Ca 0.00 -0.81 -0.20 0.00 0.02 0.00 0.00 55.97 54.98 1x86 s LYS 51 Cb 0.00 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1x86 s LYS 51 CO 0.00 -0.15 0.61 -0.65 -0.92 0.00 0.00 175.35 174.23 1x86 s GLN 52 N 1.17 4.06 0.21 1.68 -1.52 -1.26 -1.54 119.66 122.46 1x86 s GLN 52 Ca 0.02 0.45 0.09 0.00 -1.95 0.00 0.00 55.36 53.97 1x86 s GLN 52 Cb -0.14 -3.67 -0.05 0.00 -0.22 0.00 0.00 33.01 28.94 1x86 s GLN 52 CO -0.09 -0.43 -0.16 0.08 -0.25 0.00 0.00 175.29 174.44 1x86 s VAL 53 N 2.49 1.90 -0.62 1.09 1.01 -0.76 -3.70 120.40 121.81 1x86 s VAL 53 Ca 0.25 -2.20 0.06 0.00 0.00 0.00 0.00 61.98 60.09 1x86 s VAL 53 Cb -0.15 -2.06 0.25 0.00 0.00 0.00 0.00 36.38 34.42 1x86 s VAL 53 CO 0.09 -0.51 0.74 -0.62 0.00 0.00 0.00 175.10 174.80 1x86 n GLU 54 N -0.31 2.43 -1.54 2.72 1.02 0.30 -2.80 120.64 122.46 1x86 n GLU 54 Ca -0.08 -4.59 -0.50 0.00 -0.02 0.00 0.00 57.16 51.97 1x86 n GLU 54 Cb 0.60 -2.20 -0.06 0.00 -0.02 0.00 0.00 31.44 29.76 1x86 n GLU 54 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x86 n LEU 55 N 0.88 2.58 -4.70 -4.62 4.32 -1.02 -3.21 117.00 111.23 1x86 n LEU 55 Ca 0.29 0.55 -0.42 0.00 -0.02 0.00 0.00 56.01 56.41 1x86 n LEU 55 Cb 0.42 -1.32 -0.03 0.00 -1.62 0.00 0.00 43.42 40.87 1x86 n LEU 55 CO 0.40 -0.56 0.72 0.00 -1.22 0.00 0.00 177.39 176.73 1x86 s ALA 56 N 6.49 3.28 -0.25 -1.18 0.00 -0.00 -1.55 121.76 128.56 1x86 s ALA 56 Ca 1.04 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 53.36 1x86 s ALA 56 Cb -0.77 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 1x86 s ALA 56 CO 0.49 -0.41 0.10 -0.51 0.00 0.00 0.00 175.76 175.43 1x86 s LEU 57 N 1.50 3.66 -0.44 0.00 1.43 0.94 -0.24 118.68 125.52 1x86 s LEU 57 Ca 0.50 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1x86 s LEU 57 Cb -0.20 -1.98 0.12 0.00 0.03 0.00 0.00 46.19 44.16 1x86 s LEU 57 CO 0.23 -0.00 0.17 0.26 0.23 0.00 0.00 176.35 177.23 1x86 s TRP 58 N 1.45 3.48 0.04 0.29 0.52 0.78 -2.64 118.94 122.85 1x86 s TRP 58 Ca 0.06 -3.06 -0.30 0.00 0.02 0.00 0.00 56.10 52.82 1x86 s TRP 58 Cb -0.15 -2.90 -0.07 0.00 -1.15 0.00 0.00 33.47 29.20 1x86 s TRP 58 CO 0.05 -0.85 1.53 0.34 0.02 0.00 0.00 176.95 178.04 1x86 s ASP 59 N 0.37 6.72 0.00 2.95 2.15 -1.26 -2.75 116.67 124.85 1x86 s ASP 59 Ca 0.14 2.31 0.28 0.00 0.43 0.00 0.00 52.55 55.71 1x86 s ASP 59 Cb -0.22 -2.56 1.16 0.00 -0.30 0.00 0.00 42.92 40.99 1x86 s ASP 59 CO -0.04 -0.80 1.81 0.35 -0.17 0.00 0.00 175.17 176.31 1x86 n THR 60 N 4.67 0.00 -2.23 1.71 -2.24 -1.22 -4.97 114.28 110.00 1x86 n THR 60 Ca 0.14 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 1x86 n THR 60 Cb 0.42 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1x86 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x86 s ALA 61 N -2.25 3.52 0.00 6.98 0.00 -1.26 -2.75 121.76 126.00 1x86 s ALA 61 Ca 0.34 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1x86 s ALA 61 Cb 0.20 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1x86 s ALA 61 CO 0.42 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1x86 n GLY 62 N 2.48 0.63 0.34 0.00 0.00 -1.26 -4.98 105.19 102.41 1x86 n GLY 62 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1x86 n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x86 n GLN 63 N -1.38 0.92 0.20 1.61 6.02 -1.11 -4.65 117.38 118.98 1x86 n GLN 63 Ca 0.00 -1.23 0.05 0.00 -0.01 0.00 0.00 57.00 55.81 1x86 n GLN 63 Cb 0.00 -1.15 0.42 0.00 1.02 0.00 0.00 30.24 30.53 1x86 n GLN 63 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1x86 h GLU 64 N 1.43 0.00 0.00 -1.09 3.07 -1.94 -2.61 114.58 113.44 1x86 h GLU 64 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.69 1x86 h GLU 64 Cb 0.42 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1x86 h GLU 64 CO 0.00 0.32 -0.81 -0.44 -1.40 0.00 0.00 179.01 176.69 1x86 h ASP 65 N 0.00 0.00 -3.51 1.42 3.32 -2.00 -3.44 116.42 112.21 1x86 h ASP 65 Ca -0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 1x86 h ASP 65 Cb 0.63 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.87 1x86 h ASP 65 CO 0.04 0.81 -0.38 -0.31 -1.72 0.00 0.00 179.24 177.68 1x86 s TYR 66 N -3.04 3.48 -1.35 4.55 2.02 -0.99 -4.96 117.35 117.06 1x86 s TYR 66 Ca 0.01 -2.13 0.30 0.00 -0.37 0.00 0.00 57.07 54.87 1x86 s TYR 66 Cb 0.11 -3.42 1.46 0.00 -0.40 0.00 0.00 41.96 39.70 1x86 s TYR 66 CO 0.79 -0.97 2.02 -0.25 -1.57 0.00 0.00 175.55 175.58 1x86 n ASP 67 N 4.55 0.00 -0.07 2.29 9.92 -1.26 -2.27 116.55 129.70 1x86 n ASP 67 Ca -0.03 -0.02 -0.04 0.00 -0.53 0.00 0.00 54.79 54.17 1x86 n ASP 67 Cb 0.41 -0.33 -0.15 0.00 -0.64 0.00 0.00 41.12 40.41 1x86 n ASP 67 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x86 n ARG 68 N -1.33 0.79 0.07 -1.24 5.12 -1.26 -4.49 116.66 114.32 1x86 n ARG 68 Ca 0.13 -0.06 -0.06 0.00 -1.93 0.00 0.00 57.85 55.93 1x86 n ARG 68 Cb 0.26 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.17 1x86 n ARG 68 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1x86 h LEU 69 N 0.00 0.34 -0.77 0.55 3.38 -1.82 -3.31 115.31 113.68 1x86 h LEU 69 Ca -0.39 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.27 1x86 h LEU 69 Cb 1.88 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 1x86 h LEU 69 CO 0.02 0.87 -0.22 -0.09 0.09 0.00 0.00 178.44 179.11 1x86 h ARG 70 N 0.23 0.69 0.00 1.13 2.43 -1.68 -1.31 114.38 115.87 1x86 h ARG 70 Ca -0.01 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1x86 h ARG 70 Cb 1.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1x86 h ARG 70 CO 0.10 0.86 0.00 -2.30 -1.51 0.00 0.00 179.97 177.11 1x86 n PRO 71 N -4.12 0.71 0.14 0.20 -0.02 -1.25 -2.10 135.00 128.57 1x86 n PRO 71 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.61 1x86 n PRO 71 Cb 0.42 -1.39 0.49 0.00 -0.02 0.00 0.00 33.50 33.00 1x86 n PRO 71 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1x86 h LEU 72 N 0.00 0.00 -0.93 2.45 3.38 -1.36 -3.21 115.31 115.64 1x86 h LEU 72 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x86 h LEU 72 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x86 h LEU 72 CO 0.00 0.00 -0.42 -1.20 0.09 0.00 0.00 178.44 176.91 1x86 n SER 73 N -2.32 1.86 0.10 -0.43 7.64 -0.89 -4.51 113.62 115.08 1x86 n SER 73 Ca 0.02 -1.41 0.12 0.00 1.01 0.00 0.00 58.87 58.61 1x86 n SER 73 Cb 0.27 0.39 0.06 0.00 -1.01 0.00 0.00 64.21 63.92 1x86 n SER 73 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1x86 h TYR 74 N 2.27 0.00 -1.74 1.43 0.05 -1.72 -3.46 116.97 113.79 1x86 h TYR 74 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 1x86 h TYR 74 Cb 0.71 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.51 1x86 h TYR 74 CO 0.00 0.00 0.48 -2.30 -1.05 0.00 0.00 178.16 175.29 1x86 n PRO 75 N -2.55 1.23 -2.49 4.88 -0.02 -1.26 -2.54 135.00 132.26 1x86 n PRO 75 Ca 0.01 0.44 -0.18 0.00 -2.02 0.00 0.00 63.50 61.75 1x86 n PRO 75 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1x86 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1x86 n ASP 76 N 2.57 -5.35 -4.78 2.55 8.00 -1.26 -4.99 116.55 113.29 1x86 n ASP 76 Ca 0.18 -0.08 -0.37 0.00 0.71 0.00 0.00 54.79 55.23 1x86 n ASP 76 Cb 0.20 -4.36 -0.05 0.00 -0.02 0.00 0.00 41.12 36.89 1x86 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x86 s THR 77 N -2.95 3.95 -0.08 -3.53 2.01 -1.05 -4.32 115.64 109.67 1x86 s THR 77 Ca 0.07 1.64 -0.05 0.00 0.31 0.00 0.00 61.69 63.66 1x86 s THR 77 Cb -0.03 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1x86 s THR 77 CO 0.08 0.14 -0.12 0.47 -0.69 0.00 0.00 174.62 174.51 1x86 n ASP 78 N 0.48 0.68 -4.16 3.53 10.43 -0.94 -4.94 116.55 121.64 1x86 n ASP 78 Ca 0.02 0.12 -0.26 0.00 2.57 0.00 0.00 54.79 57.24 1x86 n ASP 78 Cb 0.49 -0.28 -0.16 0.00 1.84 0.00 0.00 41.12 43.01 1x86 n ASP 78 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1x86 s VAL 79 N -2.17 1.48 -0.16 2.53 0.11 -1.23 -3.55 120.40 117.41 1x86 s VAL 79 Ca -0.12 -0.77 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1x86 s VAL 79 Cb 0.05 -1.25 0.01 0.00 -1.53 0.00 0.00 36.38 33.66 1x86 s VAL 79 CO 0.16 0.42 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.51 1x86 s ILE 80 N -0.17 2.08 -0.77 7.04 1.01 -1.13 -2.34 121.20 126.91 1x86 s ILE 80 Ca 0.01 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.50 1x86 s ILE 80 Cb -0.10 -1.85 0.10 0.00 0.01 0.00 0.00 42.46 40.62 1x86 s ILE 80 CO 0.01 0.54 1.01 -0.76 0.00 0.00 0.00 174.94 175.74 1x86 s LEU 81 N 1.07 4.81 -0.26 2.97 1.43 -0.83 -0.67 118.68 127.20 1x86 s LEU 81 Ca -0.01 -1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 51.42 1x86 s LEU 81 Cb -0.14 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1x86 s LEU 81 CO -0.08 -1.23 0.38 -0.32 0.23 0.00 0.00 176.35 175.33 1x86 s MET 82 N 3.27 4.05 0.27 1.70 1.75 -0.42 -1.71 119.30 128.21 1x86 s MET 82 Ca 0.26 0.08 0.02 0.00 -1.25 0.00 0.00 55.69 54.79 1x86 s MET 82 Cb -0.12 -3.63 -0.05 0.00 2.84 0.00 0.00 34.83 33.87 1x86 s MET 82 CO 0.01 -0.24 0.11 0.00 -0.65 0.00 0.00 175.02 174.25 1x86 s PHE 84 N -3.70 0.15 -0.25 0.00 -0.71 -1.07 -4.36 117.98 108.04 1x86 s PHE 84 Ca 0.37 -0.51 -0.14 0.00 -1.04 0.00 0.00 56.93 55.60 1x86 s PHE 84 Cb 0.07 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1x86 s PHE 84 CO 0.15 -0.77 0.34 0.45 -1.34 0.00 0.00 175.22 174.05 1x86 s SER 85 N -2.91 6.25 0.34 1.98 0.15 -1.26 -1.73 113.70 116.52 1x86 s SER 85 Ca 0.12 0.29 0.14 0.00 0.70 0.00 0.00 55.95 57.20 1x86 s SER 85 Cb 0.02 -2.20 1.06 0.00 -1.71 0.00 0.00 66.02 63.19 1x86 s SER 85 CO -0.03 -0.13 1.67 0.40 1.20 0.00 0.00 173.24 176.35 1x86 h ILE 86 N 5.29 0.32 -0.11 6.45 1.08 -1.70 0.40 117.51 129.23 1x86 h ILE 86 Ca -0.33 -0.12 -0.07 0.00 -0.39 0.00 0.00 64.86 63.95 1x86 h ILE 86 Cb 1.17 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1x86 h ILE 86 CO 0.65 0.06 0.09 -0.90 -0.69 0.00 0.00 178.15 177.36 1x86 n ASP 87 N -5.05 5.30 -2.72 1.72 5.75 -1.26 -2.07 116.55 118.23 1x86 n ASP 87 Ca 0.31 -2.51 -0.06 0.00 -0.01 0.00 0.00 54.79 52.52 1x86 n ASP 87 Cb 0.95 -1.04 0.05 0.00 -1.03 0.00 0.00 41.12 40.05 1x86 n ASP 87 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1x86 n SER 88 N 1.13 -2.31 0.25 -1.12 2.88 0.14 -4.97 113.62 109.62 1x86 n SER 88 Ca 0.07 -2.51 0.15 0.00 -1.33 0.00 0.00 58.87 55.24 1x86 n SER 88 Cb 0.53 1.35 0.66 0.00 -0.75 0.00 0.00 64.21 65.99 1x86 n SER 88 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1x86 h PRO 89 N 3.88 0.00 -0.28 -1.46 0.11 -1.73 0.44 132.00 132.95 1x86 h PRO 89 Ca -0.13 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.01 1x86 h PRO 89 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1x86 h PRO 89 CO 0.07 0.00 0.09 -0.44 -0.21 0.00 0.00 178.00 177.51 1x86 h ASP 90 N 0.00 0.09 1.36 -2.05 3.45 -1.93 -0.81 116.42 116.53 1x86 h ASP 90 Ca 0.07 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1x86 h ASP 90 Cb 1.09 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 1x86 h ASP 90 CO -0.00 0.09 0.00 0.77 -1.57 0.00 0.00 179.24 178.52 1x86 h SER 91 N 0.21 0.00 1.27 6.45 4.64 -0.43 -1.72 113.55 123.97 1x86 h SER 91 Ca 0.12 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 1x86 h SER 91 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1x86 h SER 91 CO -0.13 0.00 -0.74 0.25 -0.87 0.00 0.00 176.83 175.34 1x86 h LEU 92 N 0.00 0.00 0.00 5.97 6.46 -1.38 -3.27 115.31 123.08 1x86 h LEU 92 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1x86 h LEU 92 Cb 0.68 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1x86 h LEU 92 CO 0.00 0.72 0.00 1.21 -0.62 0.00 0.00 178.44 179.75 1x86 n GLU 93 N -3.27 0.35 -0.12 1.25 4.07 -0.32 -2.69 120.64 119.90 1x86 n GLU 93 Ca 0.01 0.05 0.09 0.00 -0.06 0.00 0.00 57.16 57.24 1x86 n GLU 93 Cb 0.83 -1.50 0.15 0.00 -0.06 0.00 0.00 31.44 30.85 1x86 n GLU 93 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1x86 n ASN 94 N -1.29 2.89 -0.03 4.31 4.13 -1.07 -4.33 115.26 119.86 1x86 n ASN 94 Ca 0.12 -1.85 -0.16 0.00 1.68 0.00 0.00 54.58 54.37 1x86 n ASN 94 Cb 0.21 -0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.24 1x86 n ASN 94 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1x86 h ILE 95 N 3.30 1.28 0.00 2.41 1.08 -1.60 -2.58 117.51 121.40 1x86 h ILE 95 Ca 0.00 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.55 1x86 h ILE 95 Cb 0.78 1.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 1x86 h ILE 95 CO 0.00 0.61 -0.52 -0.81 -0.69 0.00 0.00 178.15 176.74 1x86 n PRO 96 N -3.95 0.15 -0.06 2.37 -0.04 -1.26 -3.31 135.00 128.91 1x86 n PRO 96 Ca -0.06 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 1x86 n PRO 96 Cb 0.71 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1x86 n PRO 96 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x86 n GLU 97 N -1.82 0.32 0.06 0.54 4.07 -1.21 -4.46 120.64 118.14 1x86 n GLU 97 Ca 0.04 0.14 -0.05 0.00 -0.06 0.00 0.00 57.16 57.23 1x86 n GLU 97 Cb 0.39 -1.05 -0.02 0.00 -0.06 0.00 0.00 31.44 30.70 1x86 n GLU 97 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1x86 h LYS 98 N -0.57 -0.24 0.00 5.31 3.64 -1.77 -3.42 116.57 119.53 1x86 h LYS 98 Ca -0.23 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1x86 h LYS 98 Cb 1.01 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1x86 h LYS 98 CO -0.14 -0.12 0.00 0.91 -2.27 0.00 0.00 179.45 177.84 1x86 n TRP 99 N -4.94 0.00 -0.38 1.91 7.02 -1.09 -3.31 117.44 116.65 1x86 n TRP 99 Ca -0.04 0.00 0.30 0.00 -1.02 0.00 0.00 57.50 56.74 1x86 n TRP 99 Cb 0.12 -0.45 0.57 0.00 -2.42 0.00 0.00 31.31 29.13 1x86 n TRP 99 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1x86 h THR 100 N 0.00 0.24 -0.17 -0.99 2.02 -1.81 0.46 112.91 112.65 1x86 h THR 100 Ca 0.00 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1x86 h THR 100 Cb 0.00 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1x86 h THR 100 CO 0.00 0.04 -0.24 -0.65 0.37 0.00 0.00 175.52 175.03 1x86 h PRO 101 N 0.21 0.46 0.00 6.66 0.11 -1.78 -2.12 132.00 135.54 1x86 h PRO 101 Ca 0.76 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1x86 h PRO 101 Cb 2.08 0.02 0.00 0.00 0.11 0.00 0.00 31.00 33.21 1x86 h PRO 101 CO -0.48 0.86 0.00 1.49 -0.21 0.00 0.00 178.00 179.66 1x86 h GLU 102 N 0.10 0.00 0.00 1.05 4.81 -0.60 -2.67 114.58 117.27 1x86 h GLU 102 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1x86 h GLU 102 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1x86 h GLU 102 CO 0.06 0.00 -1.14 0.28 -0.73 0.00 0.00 179.01 177.48 1x86 n VAL 103 N -2.44 0.07 0.06 0.32 0.31 0.13 -3.24 118.33 113.55 1x86 n VAL 103 Ca 0.03 -0.19 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 1x86 n VAL 103 Cb 0.30 0.44 -0.05 0.00 -0.91 0.00 0.00 33.84 33.62 1x86 n VAL 103 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1x86 h LYS 104 N 0.00 0.45 0.21 5.55 1.79 -1.21 -3.13 116.57 120.24 1x86 h LYS 104 Ca 0.00 -0.49 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1x86 h LYS 104 Cb 0.68 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 1x86 h LYS 104 CO 0.00 1.14 -0.26 1.25 -1.08 0.00 0.00 179.45 180.50 1x86 h HIS 105 N 0.25 -0.72 0.00 -1.35 2.76 -1.47 -2.96 115.15 111.66 1x86 h HIS 105 Ca -0.09 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 57.97 1x86 h HIS 105 Cb 1.60 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 30.83 1x86 h HIS 105 CO 0.07 -0.33 -0.70 0.74 -1.30 0.00 0.00 177.93 176.40 1x86 h PHE 106 N -0.48 0.00 -2.19 5.26 0.04 -1.72 -3.35 116.94 114.49 1x86 h PHE 106 Ca -0.03 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.15 1x86 h PHE 106 Cb 0.43 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.17 1x86 h PHE 106 CO -0.21 0.51 -0.72 0.00 -0.60 0.00 0.00 178.31 177.29 1x86 s PRO 108 N -2.06 3.70 -1.38 0.00 0.04 -1.12 -3.23 135.00 130.95 1x86 s PRO 108 Ca 0.38 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.51 1x86 s PRO 108 Cb 0.14 -2.59 0.11 0.00 0.04 0.00 0.00 34.50 32.20 1x86 s PRO 108 CO -0.05 -0.73 0.27 0.09 0.04 0.00 0.00 177.00 176.62 1x86 n ASN 109 N -0.26 -0.49 -3.82 6.66 3.02 -1.26 -4.91 115.26 114.20 1x86 n ASN 109 Ca 0.06 -1.00 -0.29 0.00 -0.03 0.00 0.00 54.58 53.32 1x86 n ASN 109 Cb 0.44 -1.26 -0.16 0.00 -0.61 0.00 0.00 39.78 38.18 1x86 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x86 s VAL 110 N -3.35 0.93 0.71 2.41 1.01 -1.20 -5.11 120.40 115.80 1x86 s VAL 110 Ca 0.38 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1x86 s VAL 110 Cb -0.22 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.69 1x86 s VAL 110 CO 0.81 -0.19 -0.07 -0.81 0.00 0.00 0.00 175.10 174.84 1x86 n PRO 111 N 4.89 0.10 -3.95 2.72 -0.04 -1.23 -4.80 135.00 132.69 1x86 n PRO 111 Ca -0.10 0.05 -0.27 0.00 -0.04 0.00 0.00 63.50 63.14 1x86 n PRO 111 Cb 0.46 -1.29 -0.17 0.00 -0.04 0.00 0.00 33.50 32.45 1x86 n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x86 s ILE 112 N -1.98 1.12 -0.47 0.52 1.01 -1.26 -2.85 121.20 117.30 1x86 s ILE 112 Ca 0.56 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.72 1x86 s ILE 112 Cb -0.36 -1.12 0.09 0.00 0.01 0.00 0.00 42.46 41.08 1x86 s ILE 112 CO 0.68 0.38 0.38 -0.63 0.00 0.00 0.00 174.94 175.75 1x86 s ILE 113 N 1.63 4.94 0.35 2.92 -1.09 0.16 0.19 121.20 130.30 1x86 s ILE 113 Ca 0.04 -1.26 -0.27 0.00 -2.23 0.00 0.00 60.65 56.93 1x86 s ILE 113 Cb -0.13 -4.02 -0.09 0.00 -1.58 0.00 0.00 42.46 36.64 1x86 s ILE 113 CO -0.08 -0.62 1.21 -0.22 -1.23 0.00 0.00 174.94 173.99 1x86 s LEU 114 N 1.57 4.36 -0.06 2.97 2.96 0.06 -1.30 118.68 129.24 1x86 s LEU 114 Ca 0.04 2.47 -0.02 0.00 -0.22 0.00 0.00 54.13 56.39 1x86 s LEU 114 Cb -0.25 -3.79 0.04 0.00 0.50 0.00 0.00 46.19 42.69 1x86 s LEU 114 CO 0.05 -0.50 0.11 -0.69 -1.32 0.00 0.00 176.35 173.99 1x86 s VAL 115 N -1.25 -0.12 -1.27 1.68 1.01 0.92 -0.78 120.40 120.60 1x86 s VAL 115 Ca 0.51 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.59 1x86 s VAL 115 Cb -0.35 -0.21 0.07 0.00 0.00 0.00 0.00 36.38 35.90 1x86 s VAL 115 CO 0.45 0.12 1.70 -0.83 0.00 0.00 0.00 175.10 176.53 1x86 s GLY 116 N 1.64 1.63 0.31 4.51 0.00 1.10 -2.58 107.32 113.93 1x86 s GLY 116 Ca -0.03 -2.87 -0.30 0.00 0.00 0.00 0.00 44.72 41.52 1x86 s GLY 116 CO -0.05 2.70 1.51 -2.01 0.00 0.00 0.00 173.10 175.25 1x86 n ASN 117 N 8.34 3.54 -2.78 1.64 4.05 -0.70 -2.65 115.26 126.69 1x86 n ASN 117 Ca 0.47 1.17 -0.02 0.00 0.45 0.00 0.00 54.58 56.65 1x86 n ASN 117 Cb 0.46 -1.56 -0.01 0.00 1.23 0.00 0.00 39.78 39.90 1x86 n ASN 117 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1x86 n LYS 118 N 1.63 -3.22 0.00 1.20 5.02 -0.57 -2.97 118.16 119.26 1x86 n LYS 118 Ca 0.07 2.60 0.13 0.00 -2.02 0.00 0.00 58.31 59.08 1x86 n LYS 118 Cb 0.36 -4.30 0.27 0.00 -0.02 0.00 0.00 35.03 31.34 1x86 n LYS 118 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1x86 n LYS 119 N 1.25 1.31 0.23 1.97 2.85 0.01 -4.22 118.16 121.57 1x86 n LYS 119 Ca -0.13 -0.92 0.11 0.00 -1.05 0.00 0.00 58.31 56.32 1x86 n LYS 119 Cb 0.27 -1.48 0.55 0.00 -0.65 0.00 0.00 35.03 33.72 1x86 n LYS 119 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1x86 h ASP 120 N 2.25 0.00 0.31 -5.58 2.03 -1.93 -3.33 116.42 110.17 1x86 h ASP 120 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1x86 h ASP 120 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1x86 h ASP 120 CO 0.00 0.19 -1.63 0.18 -1.03 0.00 0.00 179.24 176.95 1x86 n LEU 121 N -3.46 0.30 -0.37 0.15 4.77 -1.26 -4.65 117.00 112.48 1x86 n LEU 121 Ca -0.00 0.08 0.30 0.00 -0.03 0.00 0.00 56.01 56.35 1x86 n LEU 121 Cb 0.37 -0.02 0.56 0.00 -2.33 0.00 0.00 43.42 42.00 1x86 n LEU 121 CO 0.32 -0.04 1.16 -0.09 -1.33 0.00 0.00 177.39 177.41 1x86 h ARG 122 N 0.00 0.19 -0.56 3.23 2.43 -1.87 0.75 114.38 118.55 1x86 h ARG 122 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1x86 h ARG 122 Cb 0.97 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.39 1x86 h ARG 122 CO 0.00 0.13 0.14 0.09 -1.51 0.00 0.00 179.97 178.82 1x86 n ASN 123 N -4.91 4.30 -4.78 -3.80 3.02 -1.26 -4.87 115.26 102.95 1x86 n ASN 123 Ca 0.34 -3.25 -0.37 0.00 -0.03 0.00 0.00 54.58 51.28 1x86 n ASN 123 Cb 1.18 -0.68 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 1x86 n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1x86 s ASP 124 N -1.48 7.30 0.13 6.41 3.68 0.26 -4.99 116.67 127.99 1x86 s ASP 124 Ca 0.50 1.81 -0.13 0.00 2.13 0.00 0.00 52.55 56.87 1x86 s ASP 124 Cb 0.41 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 39.28 1x86 s ASP 124 CO 0.10 -0.09 1.52 -0.08 0.13 0.00 0.00 175.17 176.76 1x86 h GLU 125 N 3.09 0.83 0.06 4.34 4.57 -1.95 -2.98 114.58 122.54 1x86 h GLU 125 Ca -0.47 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 57.36 1x86 h GLU 125 Cb 1.19 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1x86 h GLU 125 CO 0.65 0.97 -0.03 1.25 -1.18 0.00 0.00 179.01 180.67 1x86 h HIS 126 N 0.64 -0.07 -0.37 0.92 2.76 -1.96 -2.94 115.15 114.13 1x86 h HIS 126 Ca 0.10 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.14 1x86 h HIS 126 Cb 0.70 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1x86 h HIS 126 CO 0.05 0.38 -0.29 1.79 -1.30 0.00 0.00 177.93 178.56 1x86 h THR 127 N -0.56 1.28 -0.09 6.26 1.35 -1.92 0.81 112.91 120.04 1x86 h THR 127 Ca -0.01 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.39 1x86 h THR 127 Cb 0.48 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1x86 h THR 127 CO 0.01 0.47 -0.10 0.03 -0.25 0.00 0.00 175.52 175.69 1x86 h ARG 128 N 0.66 0.14 -0.19 4.72 3.08 -1.64 0.10 114.38 121.25 1x86 h ARG 128 Ca 0.08 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 1x86 h ARG 128 Cb 0.82 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1x86 h ARG 128 CO 0.07 0.25 -0.68 0.00 -1.07 0.00 0.00 179.97 178.54 1x86 h ARG 129 N 0.13 0.76 -0.06 0.04 3.08 -1.18 -3.15 114.38 114.00 1x86 h ARG 129 Ca 0.03 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1x86 h ARG 129 Cb 0.27 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1x86 h ARG 129 CO 0.02 1.17 0.00 0.39 -1.07 0.00 0.00 179.97 180.48 1x86 n GLU 130 N -3.95 1.84 -0.10 0.04 -0.58 0.21 -3.29 120.64 114.81 1x86 n GLU 130 Ca -0.06 -1.23 -0.12 0.00 -0.42 0.00 0.00 57.16 55.33 1x86 n GLU 130 Cb 0.69 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 30.05 1x86 n GLU 130 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1x86 n LEU 131 N 0.48 1.91 0.30 -4.62 4.77 0.32 -4.06 117.00 116.11 1x86 n LEU 131 Ca 0.18 0.41 0.19 0.00 -0.03 0.00 0.00 56.01 56.75 1x86 n LEU 131 Cb 0.41 -0.80 0.99 0.00 -2.33 0.00 0.00 43.42 41.69 1x86 n LEU 131 CO 0.16 -0.13 1.16 0.00 -1.33 0.00 0.00 177.39 177.24 1x86 h ALA 132 N -0.96 1.32 -0.03 -1.18 0.00 -0.56 0.39 119.26 118.23 1x86 h ALA 132 Ca -0.15 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1x86 h ALA 132 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1x86 h ALA 132 CO -0.09 -0.18 -0.30 0.87 0.00 0.00 0.00 179.25 179.55 1x86 h LYS 133 N 0.00 -0.34 -1.08 0.00 1.57 -1.73 -1.27 116.57 113.73 1x86 h LYS 133 Ca 0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1x86 h LYS 133 Cb 0.33 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1x86 h LYS 133 CO -0.00 -0.23 0.00 -1.33 -0.57 0.00 0.00 179.45 177.32 1x86 n MET 134 N -4.16 0.84 -4.26 3.15 2.81 0.20 -4.77 117.12 110.93 1x86 n MET 134 Ca -0.04 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.48 1x86 n MET 134 Cb 0.22 -1.17 -0.04 0.00 -0.71 0.00 0.00 33.22 31.51 1x86 n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x86 n LYS 135 N 0.45 -2.54 -4.38 0.03 5.02 -0.48 -4.97 118.16 111.29 1x86 n LYS 135 Ca 0.00 0.31 -0.28 0.00 -2.02 0.00 0.00 58.31 56.32 1x86 n LYS 135 Cb 0.36 -5.01 -0.06 0.00 -0.02 0.00 0.00 35.03 30.30 1x86 n LYS 135 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1x86 n GLN 136 N -4.25 0.84 -3.45 1.97 6.02 0.11 -4.89 117.38 113.73 1x86 n GLN 136 Ca 0.09 -3.31 -0.13 0.00 -0.01 0.00 0.00 57.00 53.64 1x86 n GLN 136 Cb 0.48 1.03 -0.03 0.00 1.02 0.00 0.00 30.24 32.74 1x86 n GLN 136 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1x86 s GLU 137 N -3.61 1.17 0.62 -1.09 -1.05 -1.26 -0.23 118.70 113.25 1x86 s GLU 137 Ca 0.03 -0.29 -0.18 0.00 -0.15 0.00 0.00 54.97 54.38 1x86 s GLU 137 Cb 0.00 0.54 -0.03 0.00 -0.44 0.00 0.00 34.13 34.20 1x86 s GLU 137 CO 0.02 -0.48 1.11 -0.35 0.95 0.00 0.00 175.26 176.51 1x86 n PRO 138 N -0.09 1.00 -2.20 -4.83 -0.04 -1.26 -4.62 135.00 122.96 1x86 n PRO 138 Ca -0.16 0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 63.36 1x86 n PRO 138 Cb 0.63 -2.33 -0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1x86 n PRO 138 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x86 s VAL 139 N -1.46 3.81 0.28 0.52 1.01 -0.88 -5.04 120.40 118.64 1x86 s VAL 139 Ca 0.79 0.93 0.10 0.00 0.00 0.00 0.00 61.98 63.80 1x86 s VAL 139 Cb -0.40 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1x86 s VAL 139 CO 0.44 -0.43 -0.02 -0.54 0.00 0.00 0.00 175.10 174.55 1x86 s LYS 140 N -3.83 2.18 0.64 2.72 -0.14 -1.26 -5.01 119.74 115.05 1x86 s LYS 140 Ca 0.65 -1.52 0.40 0.00 -1.36 0.00 0.00 55.97 54.14 1x86 s LYS 140 Cb -0.16 -2.07 2.25 0.00 -1.68 0.00 0.00 37.83 36.16 1x86 s LYS 140 CO 0.32 0.31 2.34 -1.35 -0.76 0.00 0.00 175.35 176.21 1x86 h PRO 141 N 1.91 0.00 0.05 -1.68 0.11 -2.01 -2.15 132.00 128.23 1x86 h PRO 141 Ca -0.43 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.51 1x86 h PRO 141 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1x86 h PRO 141 CO 0.61 0.00 -0.86 0.93 -0.21 0.00 0.00 178.00 178.47 1x86 h GLU 142 N 0.00 0.10 -0.87 1.05 3.07 -1.98 -3.04 114.58 112.91 1x86 h GLU 142 Ca -0.00 -0.17 0.16 0.00 -0.50 0.00 0.00 59.36 58.85 1x86 h GLU 142 Cb 0.00 0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 27.82 1x86 h GLU 142 CO 0.00 1.08 -0.25 0.39 -1.40 0.00 0.00 179.01 178.83 1x86 n GLU 143 N -4.31 -0.11 0.07 2.33 1.02 -0.81 0.26 120.64 119.09 1x86 n GLU 143 Ca -0.21 1.35 -0.06 0.00 -0.02 0.00 0.00 57.16 58.22 1x86 n GLU 143 Cb 0.70 -2.01 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 1x86 n GLU 143 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x86 h GLY 144 N 0.00 0.00 2.00 0.62 0.00 -1.70 -1.86 103.07 102.13 1x86 h GLY 144 Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 1x86 h GLY 144 CO -0.89 0.00 -0.26 3.21 0.00 0.00 0.00 176.54 178.61 1x86 h ARG 145 N 0.00 0.00 0.00 4.80 3.08 -0.07 0.36 114.38 122.54 1x86 h ARG 145 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 1x86 h ARG 145 Cb 1.69 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.71 1x86 h ARG 145 CO 0.12 0.26 -1.39 -0.25 -1.07 0.00 0.00 179.97 177.63 1x86 n ASP 146 N -3.96 0.84 0.19 7.04 8.00 0.38 -1.79 116.55 127.26 1x86 n ASP 146 Ca -0.02 0.36 0.14 0.00 0.71 0.00 0.00 54.79 55.98 1x86 n ASP 146 Cb 0.33 0.22 0.46 0.00 -0.02 0.00 0.00 41.12 42.12 1x86 n ASP 146 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1x86 h MET 147 N 0.00 0.00 0.00 -1.24 4.05 -1.05 -2.82 114.93 113.87 1x86 h MET 147 Ca -0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1x86 h MET 147 Cb 1.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1x86 h MET 147 CO 0.04 0.00 -0.04 0.00 0.23 0.00 0.00 176.91 177.14 1x86 h ALA 148 N 2.17 0.00 -0.98 0.39 0.00 -0.23 -3.23 119.26 117.38 1x86 h ALA 148 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1x86 h ALA 148 Cb 0.63 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1x86 h ALA 148 CO 0.00 0.04 0.63 -0.97 0.00 0.00 0.00 179.25 178.95 1x86 h ASN 149 N -0.63 0.94 -0.47 0.00 -1.24 -1.50 1.10 115.58 113.78 1x86 h ASN 149 Ca 0.00 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.09 1x86 h ASN 149 Cb 0.04 -0.16 -0.07 0.00 0.73 0.00 0.00 38.32 38.87 1x86 h ASN 149 CO 0.00 0.54 -0.37 -0.09 -1.29 0.00 0.00 177.43 176.22 1x86 h ARG 150 N 1.03 -0.11 -0.00 6.67 2.43 -1.67 0.73 114.38 123.46 1x86 h ARG 150 Ca 0.46 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1x86 h ARG 150 Cb 0.38 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1x86 h ARG 150 CO -0.22 -0.08 -0.02 -0.89 -1.51 0.00 0.00 179.97 177.25 1x86 n ILE 151 N -4.43 0.00 -2.94 1.20 5.41 -0.80 -4.93 119.36 112.87 1x86 n ILE 151 Ca -0.00 -0.01 -0.17 0.00 1.00 0.00 0.00 62.75 63.57 1x86 n ILE 151 Cb 0.19 -0.45 0.03 0.00 -0.71 0.00 0.00 39.64 38.71 1x86 n ILE 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x86 n GLY 152 N 1.34 -0.22 3.67 7.39 0.00 0.37 -4.96 105.19 112.78 1x86 n GLY 152 Ca 0.13 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1x86 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 s ALA 153 N -3.07 3.61 0.46 4.61 0.00 -0.58 -4.81 121.76 121.98 1x86 s ALA 153 Ca 0.28 0.79 0.36 0.00 0.00 0.00 0.00 51.96 53.39 1x86 s ALA 153 Cb -0.12 -3.64 1.54 0.00 0.00 0.00 0.00 23.12 20.90 1x86 s ALA 153 CO 0.34 -1.11 1.58 0.35 0.00 0.00 0.00 175.76 176.91 1x86 h PHE 154 N 8.41 0.42 -3.03 0.00 -0.00 0.18 -3.42 116.94 119.50 1x86 h PHE 154 Ca -0.35 0.02 -0.12 0.00 -0.00 0.00 0.00 57.97 57.52 1x86 h PHE 154 Cb 1.16 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.95 36.99 1x86 h PHE 154 CO 0.80 -0.24 0.01 0.41 -0.00 0.00 0.00 178.31 179.29 1x86 n GLY 155 N -1.59 2.02 2.88 2.40 0.00 -1.25 -5.04 105.19 104.61 1x86 n GLY 155 Ca 0.41 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 1x86 n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x86 s TYR 156 N -4.08 0.50 -0.01 1.61 5.04 -1.25 -0.76 117.35 118.40 1x86 s TYR 156 Ca 0.15 -0.09 0.02 0.00 -2.44 0.00 0.00 57.07 54.71 1x86 s TYR 156 Cb -0.02 -0.48 -0.00 0.00 0.35 0.00 0.00 41.96 41.81 1x86 s TYR 156 CO 0.11 -0.12 -0.08 1.41 -1.34 0.00 0.00 175.55 175.53 1x86 s MET 157 N 0.73 0.68 0.07 4.97 1.75 0.04 -4.97 119.30 122.58 1x86 s MET 157 Ca -0.08 -0.28 0.05 0.00 -1.25 0.00 0.00 55.69 54.13 1x86 s MET 157 Cb -0.12 -0.66 -0.04 0.00 2.84 0.00 0.00 34.83 36.86 1x86 s MET 157 CO -0.01 0.15 -0.04 -1.21 -0.65 0.00 0.00 175.02 173.26 1x86 s GLU 158 N -0.10 2.42 -0.16 4.11 2.02 -1.26 0.35 118.70 126.08 1x86 s GLU 158 Ca 0.02 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 53.85 1x86 s GLU 158 Cb -0.04 -2.46 0.12 0.00 0.10 0.00 0.00 34.13 31.84 1x86 s GLU 158 CO -0.00 0.55 0.94 0.00 0.02 0.00 0.00 175.26 176.77 1x86 s SER 160 N -0.88 6.58 -0.01 0.00 0.15 0.26 -0.81 113.70 118.99 1x86 s SER 160 Ca -0.02 0.69 -0.21 0.00 0.70 0.00 0.00 55.95 57.10 1x86 s SER 160 Cb -0.01 -2.16 -0.22 0.00 -1.71 0.00 0.00 66.02 61.91 1x86 s SER 160 CO 0.02 0.33 1.11 0.00 1.20 0.00 0.00 173.24 175.89 1x86 h ALA 161 N 5.10 0.08 0.00 5.45 0.00 -1.95 -3.16 119.26 124.79 1x86 h ALA 161 Ca -0.52 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1x86 h ALA 161 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x86 h ALA 161 CO 0.62 0.26 0.00 0.87 0.00 0.00 0.00 179.25 181.00 1x86 h LYS 162 N -0.20 0.00 0.00 0.00 1.57 -1.98 -3.29 116.57 112.67 1x86 h LYS 162 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1x86 h LYS 162 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1x86 h LYS 162 CO 0.09 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.22 1x86 n THR 163 N -3.06 0.02 -2.59 -0.16 -2.24 -1.26 -4.91 114.28 100.08 1x86 n THR 163 Ca 0.02 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1x86 n THR 163 Cb 0.39 1.41 0.02 0.00 -2.10 0.00 0.00 70.33 70.04 1x86 n THR 163 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1x86 n LYS 164 N -0.01 -2.32 -3.41 -0.78 0.00 -1.19 -5.00 118.16 105.45 1x86 n LYS 164 Ca 0.00 0.48 -0.40 0.00 0.00 0.00 0.00 58.31 58.39 1x86 n LYS 164 Cb 0.12 -4.44 -0.09 0.00 0.00 0.00 0.00 35.03 30.61 1x86 n LYS 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1x86 s ASP 165 N -2.81 6.19 0.00 3.14 1.01 -1.24 -4.22 116.67 118.74 1x86 s ASP 165 Ca 0.14 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.34 1x86 s ASP 165 Cb -0.06 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1x86 s ASP 165 CO 0.17 -0.28 0.00 0.61 0.21 0.00 0.00 175.17 175.88 1x86 n GLY 166 N 4.88 3.00 0.34 0.21 0.00 -1.26 0.89 105.19 113.25 1x86 n GLY 166 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1x86 n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x86 h VAL 167 N 0.00 0.00 -0.25 1.61 2.07 -1.84 0.67 116.25 118.50 1x86 h VAL 167 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1x86 h VAL 167 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1x86 h VAL 167 CO 0.00 0.00 0.32 -0.09 0.02 0.00 0.00 177.57 177.82 1x86 h ARG 168 N -0.84 0.00 0.00 1.57 9.65 -1.93 1.00 114.38 123.83 1x86 h ARG 168 Ca -0.08 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.61 1x86 h ARG 168 Cb 0.65 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.20 1x86 h ARG 168 CO 0.11 0.00 -0.98 0.93 2.80 0.00 0.00 179.97 182.83 1x86 h GLU 169 N 0.00 0.00 0.13 0.20 5.08 -1.57 -3.28 114.58 115.13 1x86 h GLU 169 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1x86 h GLU 169 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1x86 h GLU 169 CO -0.00 0.81 -0.06 0.28 -1.00 0.00 0.00 179.01 179.04 1x86 h VAL 170 N 0.00 1.05 0.00 3.13 2.07 0.29 -3.08 116.25 119.71 1x86 h VAL 170 Ca -0.04 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1x86 h VAL 170 Cb 1.70 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1x86 h VAL 170 CO 0.11 0.19 0.00 0.49 0.02 0.00 0.00 177.57 178.38 1x86 n PHE 171 N -4.99 0.60 0.15 1.57 3.72 -1.12 -0.18 117.46 117.22 1x86 n PHE 171 Ca -0.09 0.18 -0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1x86 n PHE 171 Cb 0.23 -0.79 0.24 0.00 -0.94 0.00 0.00 39.48 38.22 1x86 n PHE 171 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1x86 h GLU 172 N 0.00 0.01 0.15 -1.08 5.08 -1.63 -3.04 114.58 114.07 1x86 h GLU 172 Ca 0.00 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1x86 h GLU 172 Cb 0.64 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.91 1x86 h GLU 172 CO 0.00 0.53 -1.02 1.98 -1.00 0.00 0.00 179.01 179.51 1x86 h MET 173 N 0.01 0.31 -0.79 2.33 4.05 -0.47 -2.83 114.93 117.54 1x86 h MET 173 Ca -0.00 -0.54 0.11 0.00 -0.28 0.00 0.00 59.70 58.99 1x86 h MET 173 Cb 0.93 0.20 -0.08 0.00 -0.80 0.00 0.00 31.60 31.85 1x86 h MET 173 CO 0.07 1.26 0.41 0.00 0.23 0.00 0.00 176.91 178.88 1x86 h ALA 174 N 0.06 1.14 0.00 0.39 0.00 -0.72 -0.66 119.26 119.47 1x86 h ALA 174 Ca -0.19 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1x86 h ALA 174 Cb 1.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1x86 h ALA 174 CO 0.15 -0.03 -0.59 1.15 0.00 0.00 0.00 179.25 179.92 1x86 h THR 175 N 0.65 1.42 -0.32 0.00 2.02 -1.65 -1.99 112.91 113.03 1x86 h THR 175 Ca 0.41 -2.03 -0.04 0.00 0.77 0.00 0.00 66.41 65.51 1x86 h THR 175 Cb 0.48 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 1x86 h THR 175 CO -0.30 0.58 0.04 -0.09 0.37 0.00 0.00 175.52 176.11 1x86 h ARG 176 N 0.00 0.49 0.00 6.66 2.43 -0.90 -2.12 114.38 120.94 1x86 h ARG 176 Ca -0.01 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1x86 h ARG 176 Cb 1.05 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1x86 h ARG 176 CO 0.08 0.49 0.00 0.00 -1.51 0.00 0.00 179.97 179.02 1x86 n ALA 177 N -2.48 -0.17 -0.43 2.80 0.00 -0.58 -4.07 120.51 115.58 1x86 n ALA 177 Ca 0.01 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.81 1x86 n ALA 177 Cb 0.21 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.25 1x86 n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x86 n ALA 178 N -1.50 1.23 -1.31 0.00 0.00 -0.77 -2.19 120.51 115.98 1x86 n ALA 178 Ca 0.00 0.71 -0.38 0.00 0.00 0.00 0.00 53.44 53.78 1x86 n ALA 178 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1x86 n ALA 178 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x86 n LEU 179 N -4.29 6.42 -3.51 0.00 4.77 -0.80 -4.79 117.00 114.80 1x86 n LEU 179 Ca 0.35 -3.70 -0.13 0.00 -0.03 0.00 0.00 56.01 52.50 1x86 n LEU 179 Cb 1.39 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1x86 n LEU 179 CO 0.19 0.96 0.55 -1.10 -1.33 0.00 0.00 177.39 176.66 1x86 s GLN 180 N 3.35 0.96 0.00 3.23 -0.21 -0.93 -4.98 119.66 121.08 1x86 s GLN 180 Ca 0.54 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.89 1x86 s GLN 180 Cb 0.14 0.45 0.00 0.00 1.00 0.00 0.00 33.01 34.60 1x86 s GLN 180 CO -0.03 -0.35 0.00 0.00 -2.12 0.00 0.00 175.29 172.79