#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y43 s GLU 4 N 0.00 3.16 -0.05 5.31 2.12 -1.26 -4.47 118.70 123.51 1y43 s GLU 4 Ca 0.00 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 54.86 1y43 s GLU 4 Cb 0.00 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1y43 s GLU 4 CO 0.00 0.48 -0.22 0.71 -0.54 0.00 0.00 175.26 175.69 1y43 s TYR 5 N -0.31 2.49 0.21 5.30 1.51 -0.29 -4.23 117.35 122.03 1y43 s TYR 5 Ca 0.05 -0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 1y43 s TYR 5 Cb -0.13 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1y43 s TYR 5 CO 0.02 -0.07 0.14 0.00 -1.11 0.00 0.00 175.55 174.53 1y43 s ALA 7 N -4.11 -1.50 0.06 0.00 0.00 -0.73 -1.53 121.76 113.95 1y43 s ALA 7 Ca 0.39 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.67 1y43 s ALA 7 Cb 0.07 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1y43 s ALA 7 CO 0.13 -0.82 -0.06 -1.54 0.00 0.00 0.00 175.76 173.46 1y43 s SER 8 N -2.79 0.84 -0.04 0.00 1.04 -0.78 -1.20 113.70 110.76 1y43 s SER 8 Ca 0.03 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.72 1y43 s SER 8 Cb -0.02 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1y43 s SER 8 CO -0.09 -0.36 -0.08 0.00 0.98 0.00 0.00 173.24 173.70 1y43 s ALA 9 N -2.49 0.89 0.20 5.32 0.00 -0.60 -0.53 121.76 124.56 1y43 s ALA 9 Ca -0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1y43 s ALA 9 Cb -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1y43 s ALA 9 CO -0.03 0.08 0.53 1.67 0.00 0.00 0.00 175.76 178.01 1y43 s TRP 10 N 0.57 -0.07 0.14 0.00 1.48 0.16 -1.38 118.94 119.84 1y43 s TRP 10 Ca -0.09 -0.28 0.11 0.00 -1.06 0.00 0.00 56.10 54.77 1y43 s TRP 10 Cb -0.13 0.39 -0.04 0.00 -1.16 0.00 0.00 33.47 32.53 1y43 s TRP 10 CO 0.01 -0.94 -0.25 0.14 -4.06 0.00 0.00 176.95 171.85 1y43 s VAL 11 N -3.89 2.35 0.17 -0.66 -7.23 -0.96 -1.01 120.40 109.17 1y43 s VAL 11 Ca 0.11 -1.77 -0.24 0.00 -1.81 0.00 0.00 61.98 58.26 1y43 s VAL 11 Cb -0.01 -2.06 0.06 0.00 0.56 0.00 0.00 36.38 34.93 1y43 s VAL 11 CO -0.01 0.06 0.94 -0.83 -0.31 0.00 0.00 175.10 174.94 1y43 s GLY 12 N -2.17 -0.19 -0.12 2.32 0.00 -0.71 -2.40 107.32 104.04 1y43 s GLY 12 Ca 0.16 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.93 1y43 s GLY 12 CO 0.07 0.09 -0.17 -0.42 0.00 0.00 0.00 173.10 172.67 1y43 s ILE 13 N -3.28 2.64 0.14 0.90 1.01 -0.25 -1.20 121.20 121.16 1y43 s ILE 13 Ca 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1y43 s ILE 13 Cb -0.02 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1y43 s ILE 13 CO 0.03 0.54 0.00 0.47 0.00 0.00 0.00 174.94 175.98 1y43 n ASP 14 N 3.57 -3.64 0.00 3.58 8.00 0.29 -2.00 116.55 126.35 1y43 n ASP 14 Ca -0.19 0.66 0.00 0.00 0.71 0.00 0.00 54.79 55.97 1y43 n ASP 14 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 41.12 39.78 1y43 n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y43 n GLY 15 N -2.37 2.16 0.04 0.44 0.00 -0.52 -4.78 105.19 100.16 1y43 n GLY 15 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1y43 n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y43 n ASP 16 N 0.00 1.00 -0.24 1.61 2.03 -1.26 -4.70 116.55 114.98 1y43 n ASP 16 Ca 0.00 0.23 0.10 0.00 0.52 0.00 0.00 54.79 55.63 1y43 n ASP 16 Cb 0.00 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 39.71 1y43 n ASP 16 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1y43 n THR 17 N -3.51 0.00 -3.89 5.18 -2.24 -1.26 -4.80 114.28 103.76 1y43 n THR 17 Ca -0.07 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 1y43 n THR 17 Cb 0.24 1.12 -0.14 0.00 -2.10 0.00 0.00 70.33 69.46 1y43 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y43 n GLU 19 N 4.72 0.15 0.13 0.00 -0.58 -1.26 -1.44 120.64 122.36 1y43 n GLU 19 Ca -0.15 -0.10 0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1y43 n GLU 19 Cb 0.47 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 30.14 1y43 n GLU 19 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1y43 h THR 20 N 0.25 0.00 -2.14 2.62 1.35 -1.95 -3.48 112.91 109.55 1y43 h THR 20 Ca 0.00 -0.62 0.17 0.00 -0.55 0.00 0.00 66.41 65.41 1y43 h THR 20 Cb 0.52 1.55 -0.12 0.00 -1.73 0.00 0.00 68.15 68.37 1y43 h THR 20 CO 0.00 0.00 0.55 0.00 -0.25 0.00 0.00 175.52 175.82 1y43 s ALA 21 N -3.14 -1.82 -0.14 6.62 0.00 -1.26 -4.27 121.76 117.75 1y43 s ALA 21 Ca 0.09 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 1y43 s ALA 21 Cb 0.11 0.46 0.06 0.00 0.00 0.00 0.00 23.12 23.74 1y43 s ALA 21 CO 0.64 -0.87 0.29 0.42 0.00 0.00 0.00 175.76 176.24 1y43 s ILE 22 N -3.05 -0.31 -0.32 0.00 1.01 -1.11 -3.14 121.20 114.28 1y43 s ILE 22 Ca 0.09 0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.85 1y43 s ILE 22 Cb -0.00 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 1y43 s ILE 22 CO -0.04 0.09 0.18 -0.22 0.00 0.00 0.00 174.94 174.95 1y43 s LEU 23 N 2.04 4.21 0.06 2.97 2.96 -0.85 -0.69 118.68 129.38 1y43 s LEU 23 Ca -0.03 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 1y43 s LEU 23 Cb -0.11 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1y43 s LEU 23 CO -0.09 -0.20 0.24 0.00 -1.32 0.00 0.00 176.35 174.98 1y43 s GLN 24 N 1.65 0.79 -0.11 1.98 -2.07 -0.49 -1.09 119.66 120.31 1y43 s GLN 24 Ca 0.05 -0.68 -0.16 0.00 -1.82 0.00 0.00 55.36 52.75 1y43 s GLN 24 Cb -0.17 0.33 0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1y43 s GLN 24 CO 0.08 -0.25 0.42 -0.08 -1.32 0.00 0.00 175.29 174.14 1y43 s THR 25 N -2.95 0.02 0.00 3.63 -1.32 -1.01 -1.38 115.64 112.63 1y43 s THR 25 Ca -0.02 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1y43 s THR 25 Cb 0.01 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1y43 s THR 25 CO -0.06 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1y43 n GLY 26 N 2.23 1.39 3.00 6.08 0.00 -0.80 -2.27 105.19 114.82 1y43 n GLY 26 Ca -0.16 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 1y43 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y43 s VAL 27 N -2.11 0.58 -0.06 1.61 1.01 -0.48 -1.12 120.40 119.84 1y43 s VAL 27 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1y43 s VAL 27 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1y43 s VAL 27 CO 0.00 0.16 0.10 -1.81 0.00 0.00 0.00 175.10 173.55 1y43 s ASP 28 N -0.18 5.93 -0.10 3.32 1.01 -0.19 -1.55 116.67 124.91 1y43 s ASP 28 Ca 0.03 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.58 1y43 s ASP 28 Cb -0.03 -1.80 0.02 0.00 1.01 0.00 0.00 42.92 42.12 1y43 s ASP 28 CO -0.00 0.34 -0.09 0.72 0.21 0.00 0.00 175.17 176.35 1y43 s PHE 29 N -1.09 1.51 0.10 4.23 -0.71 -0.34 -2.41 117.98 119.26 1y43 s PHE 29 Ca 0.19 -0.70 0.08 0.00 -1.04 0.00 0.00 56.93 55.46 1y43 s PHE 29 Cb -0.12 -1.20 -0.03 0.00 -1.21 0.00 0.00 43.02 40.46 1y43 s PHE 29 CO 0.09 -0.44 -0.20 0.00 -1.34 0.00 0.00 175.22 173.32 1y43 s TYR 31 N -1.15 1.38 -0.30 0.00 5.04 0.46 -0.77 117.35 122.01 1y43 s TYR 31 Ca 0.06 -0.31 -0.10 0.00 -2.44 0.00 0.00 57.07 54.28 1y43 s TYR 31 Cb -0.10 -0.91 0.13 0.00 0.35 0.00 0.00 41.96 41.43 1y43 s TYR 31 CO 0.04 -0.07 0.64 -2.00 -1.34 0.00 0.00 175.55 172.82 1y43 s GLU 32 N -0.16 0.57 -0.82 4.97 2.12 -0.47 -1.13 118.70 123.77 1y43 s GLU 32 Ca 0.02 1.43 -0.08 0.00 0.36 0.00 0.00 54.97 56.70 1y43 s GLU 32 Cb -0.08 0.85 0.01 0.00 0.26 0.00 0.00 34.13 35.18 1y43 s GLU 32 CO 0.00 -0.22 0.55 -3.47 -0.54 0.00 0.00 175.26 171.58 1y43 n ASP 33 N 5.45 -4.06 0.00 -1.70 2.03 -1.26 -1.55 116.55 115.46 1y43 n ASP 33 Ca -0.12 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.25 1y43 n ASP 33 Cb 0.49 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1y43 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y43 n GLY 34 N -1.63 0.34 3.32 0.27 0.00 -1.26 -5.00 105.19 101.23 1y43 n GLY 34 Ca -0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1y43 n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y43 s GLN 35 N -0.78 1.24 0.14 1.61 -0.21 -0.60 -5.16 119.66 115.89 1y43 s GLN 35 Ca 0.00 -1.44 0.06 0.00 0.02 0.00 0.00 55.36 54.01 1y43 s GLN 35 Cb 0.00 -1.17 -0.04 0.00 1.00 0.00 0.00 33.01 32.80 1y43 s GLN 35 CO 0.00 0.22 -0.14 0.95 -2.12 0.00 0.00 175.29 174.19 1y43 s THR 36 N -2.40 1.42 -0.02 -0.19 -4.23 -1.26 -1.37 115.64 107.59 1y43 s THR 36 Ca 0.17 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1y43 s THR 36 Cb -0.04 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.19 1y43 s THR 36 CO 0.06 -0.43 0.00 -0.55 -0.54 0.00 0.00 174.62 173.16 1y43 s SER 37 N -2.58 0.23 0.01 3.99 0.15 0.05 -4.99 113.70 110.56 1y43 s SER 37 Ca 0.11 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.80 1y43 s SER 37 Cb -0.04 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1y43 s SER 37 CO 0.04 -0.07 -0.13 -0.31 1.20 0.00 0.00 173.24 173.97 1y43 s TYR 38 N 0.67 1.12 0.04 3.44 2.02 -1.26 -0.52 117.35 122.87 1y43 s TYR 38 Ca -0.06 -0.28 -0.18 0.00 -0.37 0.00 0.00 57.07 56.18 1y43 s TYR 38 Cb -0.09 -0.70 0.03 0.00 -0.40 0.00 0.00 41.96 40.81 1y43 s TYR 38 CO -0.02 0.00 0.40 0.16 -1.57 0.00 0.00 175.55 174.53 1y43 s ASP 39 N -0.71 -0.26 0.05 2.29 -4.77 -1.01 -4.73 116.67 107.52 1y43 s ASP 39 Ca 0.03 -0.00 0.04 0.00 -3.30 0.00 0.00 52.55 49.31 1y43 s ASP 39 Cb -0.06 0.41 -0.04 0.00 -1.09 0.00 0.00 42.92 42.14 1y43 s ASP 39 CO 0.00 -0.64 -0.01 0.00 0.70 0.00 0.00 175.17 175.22 1y43 s ALA 40 N -2.38 3.25 0.20 2.11 0.00 -1.26 -1.02 121.76 122.66 1y43 s ALA 40 Ca -0.06 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 1y43 s ALA 40 Cb -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1y43 s ALA 40 CO -0.02 0.67 0.42 1.67 0.00 0.00 0.00 175.76 178.50 1y43 s TRP 41 N -1.20 0.26 0.08 0.00 1.48 -0.27 -0.92 118.94 118.37 1y43 s TRP 41 Ca 0.23 -0.62 0.01 0.00 -1.06 0.00 0.00 56.10 54.66 1y43 s TRP 41 Cb -0.12 0.15 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 1y43 s TRP 41 CO 0.14 -0.87 -0.06 1.52 -4.06 0.00 0.00 176.95 173.62 1y43 s TYR 42 N -3.96 0.77 -0.28 1.66 -0.85 -0.33 -1.91 117.35 112.45 1y43 s TYR 42 Ca 0.17 -0.90 -0.22 0.00 -0.52 0.00 0.00 57.07 55.61 1y43 s TYR 42 Cb 0.01 -0.47 0.09 0.00 0.38 0.00 0.00 41.96 41.97 1y43 s TYR 42 CO 0.03 -0.19 0.80 -2.00 -1.52 0.00 0.00 175.55 172.67 1y43 s GLU 43 N -3.57 0.69 -0.65 -3.49 2.12 -0.48 -1.14 118.70 112.18 1y43 s GLU 43 Ca 0.08 0.94 0.03 0.00 0.36 0.00 0.00 54.97 56.38 1y43 s GLU 43 Cb 0.04 0.27 0.16 0.00 0.26 0.00 0.00 34.13 34.86 1y43 s GLU 43 CO -0.05 -0.10 0.43 -0.46 -0.54 0.00 0.00 175.26 174.54 1y43 s TRP 44 N 0.78 3.45 0.44 5.30 -0.11 -1.26 -1.40 118.94 126.14 1y43 s TRP 44 Ca -0.03 -3.20 -0.24 0.00 1.22 0.00 0.00 56.10 53.85 1y43 s TRP 44 Cb -0.05 -2.85 -0.09 0.00 -1.50 0.00 0.00 33.47 28.98 1y43 s TRP 44 CO -0.08 -0.66 1.13 0.98 -4.62 0.00 0.00 176.95 173.71 1y43 n TYR 45 N 2.55 1.60 1.65 5.86 4.19 0.13 -1.16 117.16 131.98 1y43 n TYR 45 Ca 0.13 0.52 0.03 0.00 3.31 0.00 0.00 57.90 61.89 1y43 n TYR 45 Cb 0.34 -2.29 0.18 0.00 0.49 0.00 0.00 39.34 38.07 1y43 n TYR 45 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1y43 n PRO 46 N -0.07 0.82 -1.42 2.98 -0.04 -1.26 -2.75 135.00 133.26 1y43 n PRO 46 Ca 0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.25 1y43 n PRO 46 Cb 0.40 -1.12 0.12 0.00 -0.04 0.00 0.00 33.50 32.87 1y43 n PRO 46 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1y43 s ASP 47 N -1.37 3.86 0.78 3.54 -1.08 -0.31 -5.02 116.67 117.07 1y43 s ASP 47 Ca 0.09 1.28 -0.11 0.00 -0.52 0.00 0.00 52.55 53.30 1y43 s ASP 47 Cb 0.04 -1.97 0.06 0.00 -1.46 0.00 0.00 42.92 39.60 1y43 s ASP 47 CO 0.07 -2.37 1.09 -0.31 0.52 0.00 0.00 175.17 174.17 1y43 s TYR 48 N -3.10 2.58 0.23 -5.34 2.02 -1.26 -4.55 117.35 107.93 1y43 s TYR 48 Ca 0.62 1.52 -0.23 0.00 -0.37 0.00 0.00 57.07 58.61 1y43 s TYR 48 Cb -0.16 -3.05 -0.09 0.00 -0.40 0.00 0.00 41.96 38.27 1y43 s TYR 48 CO 0.55 -1.82 0.80 0.00 -1.57 0.00 0.00 175.55 173.51 1y43 s ALA 49 N -2.91 3.38 0.05 3.71 0.00 -1.26 -4.49 121.76 120.23 1y43 s ALA 49 Ca 0.61 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.96 1y43 s ALA 49 Cb -0.17 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1y43 s ALA 49 CO 0.56 0.28 -0.18 0.71 0.00 0.00 0.00 175.76 177.13 1y43 s TYR 50 N -1.40 1.55 0.28 0.00 2.02 -0.29 -4.98 117.35 114.53 1y43 s TYR 50 Ca 0.42 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.60 1y43 s TYR 50 Cb -0.20 -0.91 -0.08 0.00 -0.40 0.00 0.00 41.96 40.37 1y43 s TYR 50 CO 0.24 0.08 0.70 -0.51 -1.57 0.00 0.00 175.55 174.48 1y43 s ASP 51 N -1.25 6.80 -0.56 2.29 1.01 -1.26 -1.18 116.67 122.52 1y43 s ASP 51 Ca 0.05 1.24 -0.20 0.00 0.71 0.00 0.00 52.55 54.34 1y43 s ASP 51 Cb -0.09 -2.35 0.07 0.00 1.01 0.00 0.00 42.92 41.56 1y43 s ASP 51 CO 0.02 -0.13 0.75 -0.36 0.21 0.00 0.00 175.17 175.65 1y43 s PHE 52 N -1.86 2.94 -0.68 4.23 0.08 -0.09 -4.92 117.98 117.68 1y43 s PHE 52 Ca 0.50 -0.56 0.26 0.00 0.12 0.00 0.00 56.93 57.25 1y43 s PHE 52 Cb -0.12 -3.85 0.72 0.00 -0.57 0.00 0.00 43.02 39.20 1y43 s PHE 52 CO 0.19 -1.24 1.74 0.77 -0.10 0.00 0.00 175.22 176.57 1y43 h SER 53 N 9.18 0.00 -0.92 1.36 0.02 -1.96 -3.34 113.55 117.89 1y43 h SER 53 Ca -0.28 -0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.15 1y43 h SER 53 Cb 1.09 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.35 1y43 h SER 53 CO 1.05 0.00 0.66 -0.90 -1.14 0.00 0.00 176.83 176.50 1y43 n ASP 54 N -2.41 4.70 -3.73 3.07 5.75 -1.26 -4.88 116.55 117.79 1y43 n ASP 54 Ca 0.05 -3.53 -0.12 0.00 -0.01 0.00 0.00 54.79 51.18 1y43 n ASP 54 Cb 0.45 -0.86 -0.13 0.00 -1.03 0.00 0.00 41.12 39.55 1y43 n ASP 54 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1y43 s ILE 55 N -3.40 -0.04 -0.18 2.12 2.07 -1.25 -4.95 121.20 115.57 1y43 s ILE 55 Ca 0.54 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.79 1y43 s ILE 55 Cb 0.45 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 42.59 1y43 s ILE 55 CO 0.07 0.05 0.22 -0.89 -1.91 0.00 0.00 174.94 172.48 1y43 s THR 56 N 1.17 5.36 -0.13 4.00 2.01 -1.26 -4.80 115.64 121.99 1y43 s THR 56 Ca -0.08 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.31 1y43 s THR 56 Cb -0.09 -3.56 -0.00 0.00 0.01 0.00 0.00 72.50 68.86 1y43 s THR 56 CO -0.08 0.41 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.44 1y43 s ILE 57 N 0.40 2.38 0.17 1.82 -1.09 -1.26 -4.98 121.20 118.64 1y43 s ILE 57 Ca 0.13 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.72 1y43 s ILE 57 Cb -0.12 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1y43 s ILE 57 CO 0.01 0.54 -0.13 -0.44 -1.23 0.00 0.00 174.94 173.69 1y43 s SER 58 N 0.59 2.19 0.30 3.58 0.01 -1.26 -4.69 113.70 114.43 1y43 s SER 58 Ca -0.11 -0.98 -0.29 0.00 1.31 0.00 0.00 55.95 55.88 1y43 s SER 58 Cb -0.16 -0.08 -0.12 0.00 0.21 0.00 0.00 66.02 65.86 1y43 s SER 58 CO 0.03 -0.22 1.41 1.21 0.41 0.00 0.00 173.24 176.08 1y43 n GLU 59 N -0.14 2.28 0.00 12.44 0.00 -1.26 -2.02 120.64 131.95 1y43 n GLU 59 Ca -0.10 0.81 0.00 0.00 0.00 0.00 0.00 57.16 57.86 1y43 n GLU 59 Cb 0.60 -2.47 0.00 0.00 0.00 0.00 0.00 31.44 29.57 1y43 n GLU 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y43 n GLY 60 N 1.44 2.21 3.77 8.31 0.00 -1.26 -5.03 105.19 114.64 1y43 n GLY 60 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1y43 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y43 s ASP 61 N -3.08 5.82 -0.24 1.61 1.01 -0.85 -5.00 116.67 115.94 1y43 s ASP 61 Ca 0.00 2.21 -0.17 0.00 0.71 0.00 0.00 52.55 55.29 1y43 s ASP 61 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1y43 s ASP 61 CO 0.00 -1.15 0.47 -0.44 0.21 0.00 0.00 175.17 174.26 1y43 s SER 62 N -1.68 6.43 -0.04 0.27 0.01 -1.26 -5.00 113.70 112.44 1y43 s SER 62 Ca 0.71 0.51 0.05 0.00 1.31 0.00 0.00 55.95 58.53 1y43 s SER 62 Cb -0.25 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1y43 s SER 62 CO 0.29 -0.21 -0.19 -0.63 0.41 0.00 0.00 173.24 172.91 1y43 s ILE 63 N 1.94 2.63 -0.16 1.44 -1.09 -1.26 -0.26 121.20 124.43 1y43 s ILE 63 Ca 0.20 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 1y43 s ILE 63 Cb -0.15 -1.99 0.02 0.00 -1.58 0.00 0.00 42.46 38.76 1y43 s ILE 63 CO 0.09 0.59 -0.21 -0.75 -1.23 0.00 0.00 174.94 173.43 1y43 s LYS 64 N -0.65 3.01 -0.01 2.79 2.20 0.26 -4.94 119.74 122.40 1y43 s LYS 64 Ca 0.10 -0.84 0.05 0.00 -0.36 0.00 0.00 55.97 54.92 1y43 s LYS 64 Cb -0.11 -2.52 -0.03 0.00 -1.51 0.00 0.00 37.83 33.66 1y43 s LYS 64 CO 0.00 -0.13 -0.14 0.14 -0.36 0.00 0.00 175.35 174.86 1y43 s VAL 65 N 1.10 3.08 -0.10 4.02 -7.23 -1.26 -0.85 120.40 119.16 1y43 s VAL 65 Ca 0.00 -0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 59.22 1y43 s VAL 65 Cb -0.14 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 34.58 1y43 s VAL 65 CO -0.08 0.47 0.25 -0.89 -0.31 0.00 0.00 175.10 174.54 1y43 s THR 66 N -0.84 -0.02 0.01 5.32 2.01 -0.44 -4.94 115.64 116.74 1y43 s THR 66 Ca 0.14 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.30 1y43 s THR 66 Cb -0.11 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1y43 s THR 66 CO 0.03 0.03 -0.25 0.68 -0.69 0.00 0.00 174.62 174.43 1y43 s VAL 67 N 0.75 1.99 -0.01 3.82 -7.23 -1.26 -0.57 120.40 117.89 1y43 s VAL 67 Ca -0.05 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1y43 s VAL 67 Cb -0.06 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1y43 s VAL 67 CO -0.05 0.47 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.58 1y43 s GLU 68 N -0.84 0.24 -0.20 4.82 2.02 -0.72 -5.00 118.70 119.02 1y43 s GLU 68 Ca 0.10 -0.06 -0.03 0.00 0.02 0.00 0.00 54.97 55.00 1y43 s GLU 68 Cb -0.10 -0.27 -0.01 0.00 0.10 0.00 0.00 34.13 33.86 1y43 s GLU 68 CO 0.00 0.02 -0.06 0.00 0.02 0.00 0.00 175.26 175.24 1y43 s ALA 69 N 0.16 2.77 -0.68 5.21 0.00 -1.26 -0.78 121.76 127.18 1y43 s ALA 69 Ca -0.01 -1.11 0.24 0.00 0.00 0.00 0.00 51.96 51.08 1y43 s ALA 69 Cb -0.04 -1.60 0.21 0.00 0.00 0.00 0.00 23.12 21.70 1y43 s ALA 69 CO -0.00 -0.29 1.19 0.25 0.00 0.00 0.00 175.76 176.90 1y43 n THR 70 N 4.52 0.22 -3.86 0.00 -2.24 -0.06 -4.94 114.28 107.91 1y43 n THR 70 Ca -0.18 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1y43 n THR 70 Cb 0.51 0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1y43 n THR 70 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y43 s SER 71 N -3.91 -0.01 0.02 3.42 1.04 -1.12 -4.95 113.70 108.20 1y43 s SER 71 Ca 0.06 -0.79 0.15 0.00 0.48 0.00 0.00 55.95 55.85 1y43 s SER 71 Cb 0.14 0.60 0.64 0.00 0.10 0.00 0.00 66.02 67.50 1y43 s SER 71 CO 0.76 -1.18 1.48 0.29 0.98 0.00 0.00 173.24 175.56 1y43 n LYS 72 N -0.64 0.01 -0.42 4.02 5.02 -1.26 -3.18 118.16 121.71 1y43 n LYS 72 Ca -0.05 0.27 0.05 0.00 -2.02 0.00 0.00 58.31 56.56 1y43 n LYS 72 Cb 0.60 -1.53 0.07 0.00 -0.02 0.00 0.00 35.03 34.15 1y43 n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1y43 n SER 73 N -1.55 1.09 -3.65 4.39 3.41 -1.26 -0.67 113.62 115.38 1y43 n SER 73 Ca 0.03 -2.54 -0.14 0.00 -0.26 0.00 0.00 58.87 55.96 1y43 n SER 73 Cb 0.17 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 1y43 n SER 73 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y43 s SER 74 N -1.95 -0.35 0.00 4.04 1.04 -1.19 -3.89 113.70 111.40 1y43 s SER 74 Ca 0.18 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1y43 s SER 74 Cb 0.16 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1y43 s SER 74 CO -0.01 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1y43 n GLY 75 N 0.76 -0.56 3.35 7.32 0.00 -0.51 -0.89 105.19 114.67 1y43 n GLY 75 Ca -0.19 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 1y43 n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y43 s SER 76 N -4.00 -0.20 -0.05 1.61 1.04 0.04 -0.02 113.70 112.12 1y43 s SER 76 Ca 0.00 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.04 1y43 s SER 76 Cb 0.00 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1y43 s SER 76 CO 0.00 -0.89 -0.11 0.00 0.98 0.00 0.00 173.24 173.22 1y43 s ALA 77 N -3.83 1.13 -0.03 5.32 0.00 -0.38 -1.76 121.76 122.21 1y43 s ALA 77 Ca 0.05 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1y43 s ALA 77 Cb 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1y43 s ALA 77 CO -0.09 0.12 -0.09 0.99 0.00 0.00 0.00 175.76 176.68 1y43 s THR 78 N 0.56 0.82 -0.14 0.00 2.01 0.27 -0.62 115.64 118.53 1y43 s THR 78 Ca -0.11 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1y43 s THR 78 Cb -0.14 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.67 1y43 s THR 78 CO 0.03 0.26 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.39 1y43 s VAL 79 N 0.19 1.47 -0.13 3.82 1.01 -0.39 -1.32 120.40 125.05 1y43 s VAL 79 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1y43 s VAL 79 Cb -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1y43 s VAL 79 CO 0.01 0.43 -0.21 -0.70 0.00 0.00 0.00 175.10 174.62 1y43 s GLU 80 N 1.53 3.09 -0.59 2.72 2.12 -0.03 -1.31 118.70 126.24 1y43 s GLU 80 Ca 0.05 -0.83 -0.18 0.00 0.36 0.00 0.00 54.97 54.36 1y43 s GLU 80 Cb -0.13 -2.43 0.11 0.00 0.26 0.00 0.00 34.13 31.94 1y43 s GLU 80 CO -0.10 0.08 0.67 1.21 -0.54 0.00 0.00 175.26 176.58 1y43 s ASN 81 N 0.61 6.19 0.43 -1.70 3.84 0.11 -0.57 114.94 123.85 1y43 s ASN 81 Ca -0.11 -1.52 0.11 0.00 0.21 0.00 0.00 52.86 51.54 1y43 s ASN 81 Cb -0.16 -2.28 0.95 0.00 -0.55 0.00 0.00 41.25 39.20 1y43 s ASN 81 CO 0.03 -1.06 2.02 -0.07 -2.79 0.00 0.00 177.10 175.23 1y43 h LEU 82 N 9.74 0.22 -0.63 3.21 3.38 -0.88 0.44 115.31 130.79 1y43 h LEU 82 Ca -0.29 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1y43 h LEU 82 Cb 1.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1y43 h LEU 82 CO 1.09 0.26 0.08 0.74 0.09 0.00 0.00 178.44 180.69 1y43 h THR 83 N 0.25 1.26 -0.00 0.22 2.02 -1.91 -3.20 112.91 111.54 1y43 h THR 83 Ca 0.06 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1y43 h THR 83 Cb 0.15 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1y43 h THR 83 CO 0.00 0.39 -0.88 0.35 0.37 0.00 0.00 175.52 175.75 1y43 n THR 84 N -4.24 0.00 -0.91 3.16 -2.24 -1.10 -4.99 114.28 103.96 1y43 n THR 84 Ca 0.04 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1y43 n THR 84 Cb 0.30 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1y43 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y43 n GLY 85 N 1.45 0.60 3.81 3.38 0.00 0.12 -5.03 105.19 109.51 1y43 n GLY 85 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1y43 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y43 s GLN 86 N -0.09 4.32 -0.11 1.61 -0.21 -1.08 -4.92 119.66 119.19 1y43 s GLN 86 Ca 0.00 0.93 -0.06 0.00 0.02 0.00 0.00 55.36 56.26 1y43 s GLN 86 Cb 0.00 -2.97 0.04 0.00 1.00 0.00 0.00 33.01 31.09 1y43 s GLN 86 CO 0.00 0.44 0.25 0.45 -2.12 0.00 0.00 175.29 174.31 1y43 s SER 87 N -1.52 -0.27 0.00 5.90 0.15 -1.26 0.05 113.70 116.74 1y43 s SER 87 Ca 0.41 0.53 0.04 0.00 0.70 0.00 0.00 55.95 57.63 1y43 s SER 87 Cb -0.18 0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1y43 s SER 87 CO 0.22 -0.16 -0.11 0.68 1.20 0.00 0.00 173.24 175.07 1y43 s VAL 88 N 1.14 0.90 -0.02 4.45 -7.23 -0.42 -5.01 120.40 114.21 1y43 s VAL 88 Ca -0.08 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1y43 s VAL 88 Cb -0.09 -0.77 0.01 0.00 0.56 0.00 0.00 36.38 36.09 1y43 s VAL 88 CO -0.08 0.19 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.97 1y43 s THR 89 N -0.38 0.46 -0.19 5.32 2.01 -1.26 -1.26 115.64 120.34 1y43 s THR 89 Ca 0.03 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1y43 s THR 89 Cb -0.05 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1y43 s THR 89 CO -0.00 0.17 -0.05 -2.28 -0.69 0.00 0.00 174.62 171.76 1y43 s HIS 90 N 0.35 2.95 -0.20 4.92 2.46 0.20 -4.96 115.29 121.02 1y43 s HIS 90 Ca -0.04 -0.72 -0.10 0.00 0.47 0.00 0.00 55.06 54.67 1y43 s HIS 90 Cb -0.08 -2.04 -0.05 0.00 -0.13 0.00 0.00 32.58 30.29 1y43 s HIS 90 CO -0.00 -0.37 0.12 0.99 -2.47 0.00 0.00 174.74 173.01 1y43 s THR 91 N 1.05 5.29 -0.59 0.89 2.01 -1.26 -1.25 115.64 121.78 1y43 s THR 91 Ca 0.01 0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 1y43 s THR 91 Cb -0.15 -3.41 0.15 0.00 0.01 0.00 0.00 72.50 69.10 1y43 s THR 91 CO 0.00 0.44 0.47 -0.36 -0.69 0.00 0.00 174.62 174.49 1y43 s PHE 92 N 0.36 3.48 -0.64 4.92 0.08 0.97 -4.93 117.98 122.22 1y43 s PHE 92 Ca 0.07 -1.99 0.23 0.00 0.12 0.00 0.00 56.93 55.36 1y43 s PHE 92 Cb -0.11 -3.55 0.90 0.00 -0.57 0.00 0.00 43.02 39.69 1y43 s PHE 92 CO -0.02 -0.97 1.69 0.43 -0.10 0.00 0.00 175.22 176.26 1y43 n SER 93 N 4.48 0.54 0.00 1.36 7.64 -1.26 -1.43 113.62 124.95 1y43 n SER 93 Ca -0.01 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1y43 n SER 93 Cb 0.41 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1y43 n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y43 n GLY 94 N 0.30 0.34 2.45 0.23 0.00 -1.25 -4.83 105.19 102.42 1y43 n GLY 94 Ca 0.03 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 1y43 n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y43 n ASN 95 N 0.00 -5.33 -4.85 1.61 3.02 -1.26 -4.99 115.26 103.46 1y43 n ASN 95 Ca 0.00 0.22 -0.28 0.00 -0.03 0.00 0.00 54.58 54.49 1y43 n ASN 95 Cb 0.00 -4.43 0.09 0.00 -0.61 0.00 0.00 39.78 34.83 1y43 n ASN 95 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1y43 s VAL 96 N -2.82 2.07 -2.44 2.41 -7.23 -1.26 -5.00 120.40 106.14 1y43 s VAL 96 Ca 0.00 -0.08 0.22 0.00 -1.81 0.00 0.00 61.98 60.32 1y43 s VAL 96 Cb 0.00 -3.00 0.36 0.00 0.56 0.00 0.00 36.38 34.30 1y43 s VAL 96 CO 0.00 0.00 1.34 -0.62 -0.31 0.00 0.00 175.10 175.51 1y43 n GLU 97 N -3.24 2.38 -3.59 4.82 1.02 -1.26 -4.97 120.64 115.79 1y43 n GLU 97 Ca 0.09 -2.15 -0.14 0.00 -0.02 0.00 0.00 57.16 54.94 1y43 n GLU 97 Cb 0.61 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.49 1y43 n GLU 97 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1y43 s GLY 98 N -1.52 -0.42 -0.04 0.62 0.00 -1.26 -4.66 107.32 100.04 1y43 s GLY 98 Ca 0.35 1.97 -0.17 0.00 0.00 0.00 0.00 44.72 46.86 1y43 s GLY 98 CO 0.30 1.43 0.48 0.99 0.00 0.00 0.00 173.10 176.29 1y43 s ASP 99 N -0.33 6.81 0.55 1.64 1.01 -1.26 -4.78 116.67 120.31 1y43 s ASP 99 Ca -0.03 0.97 -0.17 0.00 0.71 0.00 0.00 52.55 54.03 1y43 s ASP 99 Cb -0.03 -2.29 -0.06 0.00 1.01 0.00 0.00 42.92 41.55 1y43 s ASP 99 CO 0.02 0.17 1.03 -0.76 0.21 0.00 0.00 175.17 175.84 1y43 s LEU 100 N -0.33 3.60 -0.12 1.23 1.43 0.15 -4.10 118.68 120.55 1y43 s LEU 100 Ca 0.26 1.73 0.19 0.00 -1.03 0.00 0.00 54.13 55.28 1y43 s LEU 100 Cb -0.17 -4.53 -0.28 0.00 0.03 0.00 0.00 46.19 41.25 1y43 s LEU 100 CO 0.13 -0.88 0.25 0.00 0.23 0.00 0.00 176.35 176.08 1y43 n GLU 102 N -2.49 -3.44 -0.00 0.00 1.02 -1.26 -4.94 120.64 109.53 1y43 n GLU 102 Ca -0.19 0.62 0.08 0.00 -0.02 0.00 0.00 57.16 57.65 1y43 n GLU 102 Cb 0.86 -4.87 -0.10 0.00 -0.02 0.00 0.00 31.44 27.31 1y43 n GLU 102 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1y43 n THR 103 N -4.11 0.00 -4.61 2.62 -2.24 -1.26 -4.96 114.28 99.71 1y43 n THR 103 Ca -0.07 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 1y43 n THR 103 Cb 0.58 0.80 -0.15 0.00 -2.10 0.00 0.00 70.33 69.46 1y43 n THR 103 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1y43 s ASN 104 N -2.83 1.65 -0.06 3.42 0.02 -1.26 -4.96 114.94 110.92 1y43 s ASN 104 Ca 0.03 -0.28 0.02 0.00 -1.02 0.00 0.00 52.86 51.61 1y43 s ASN 104 Cb 0.12 -0.17 0.02 0.00 0.02 0.00 0.00 41.25 41.23 1y43 s ASN 104 CO 0.67 0.16 -0.09 0.00 0.02 0.00 0.00 177.10 177.85 1y43 s ALA 105 N -0.39 1.02 0.06 0.60 0.00 -1.26 -0.55 121.76 121.24 1y43 s ALA 105 Ca 0.05 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 1y43 s ALA 105 Cb -0.06 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1y43 s ALA 105 CO -0.00 0.07 0.18 -1.83 0.00 0.00 0.00 175.76 174.17 1y43 s GLU 106 N 0.75 0.76 -0.23 0.00 1.03 -0.34 -4.99 118.70 115.68 1y43 s GLU 106 Ca -0.13 -0.83 0.01 0.00 0.03 0.00 0.00 54.97 54.04 1y43 s GLU 106 Cb -0.15 0.31 0.06 0.00 -0.80 0.00 0.00 34.13 33.54 1y43 s GLU 106 CO 0.02 -0.23 -0.06 -1.58 -1.33 0.00 0.00 175.26 172.08 1y43 s TRP 107 N -3.29 2.37 0.03 4.83 0.51 -1.26 -1.74 118.94 120.38 1y43 s TRP 107 Ca 0.01 -1.70 0.03 0.00 -2.12 0.00 0.00 56.10 52.32 1y43 s TRP 107 Cb 0.02 -1.58 -0.02 0.00 -0.81 0.00 0.00 33.47 31.09 1y43 s TRP 107 CO -0.08 -0.76 -0.11 0.42 -0.51 0.00 0.00 176.95 175.91 1y43 s ILE 108 N 1.41 0.81 -0.20 2.03 -1.09 -0.18 -5.01 121.20 118.98 1y43 s ILE 108 Ca -0.05 -0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1y43 s ILE 108 Cb -0.18 -0.76 -0.00 0.00 -1.58 0.00 0.00 42.46 39.94 1y43 s ILE 108 CO -0.07 -0.05 -0.09 -0.69 -1.23 0.00 0.00 174.94 172.82 1y43 s VAL 109 N -0.79 3.09 0.12 2.92 1.01 -1.26 -0.67 120.40 124.82 1y43 s VAL 109 Ca -0.01 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1y43 s VAL 109 Cb -0.07 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1y43 s VAL 109 CO 0.01 0.46 -0.24 -0.70 0.00 0.00 0.00 175.10 174.63 1y43 s GLU 110 N 1.24 1.29 -0.56 2.72 2.12 0.31 -4.94 118.70 120.88 1y43 s GLU 110 Ca 0.03 -1.26 -0.14 0.00 0.36 0.00 0.00 54.97 53.95 1y43 s GLU 110 Cb -0.14 -1.68 0.14 0.00 0.26 0.00 0.00 34.13 32.70 1y43 s GLU 110 CO -0.03 0.40 0.50 0.34 -0.54 0.00 0.00 175.26 175.92 1y43 s ASP 111 N -1.97 6.14 0.63 -1.70 -1.08 -1.26 -1.87 116.67 115.56 1y43 s ASP 111 Ca 0.11 -1.92 -0.12 0.00 -0.52 0.00 0.00 52.55 50.10 1y43 s ASP 111 Cb -0.10 -2.17 -0.03 0.00 -1.46 0.00 0.00 42.92 39.16 1y43 s ASP 111 CO 0.05 -0.79 1.03 0.72 0.52 0.00 0.00 175.17 176.70 1y43 s PHE 112 N 1.38 3.47 0.26 -5.34 -0.12 -1.26 -4.77 117.98 111.60 1y43 s PHE 112 Ca 0.05 1.34 -0.30 0.00 -0.05 0.00 0.00 56.93 57.98 1y43 s PHE 112 Cb -0.27 -2.77 -0.09 0.00 -0.63 0.00 0.00 43.02 39.25 1y43 s PHE 112 CO 0.01 -0.80 1.08 -1.21 -0.05 0.00 0.00 175.22 174.24 1y43 s GLU 113 N -5.02 4.66 -0.30 1.99 2.02 -1.26 -0.46 118.70 120.34 1y43 s GLU 113 Ca 0.56 1.75 -0.12 0.00 0.02 0.00 0.00 54.97 57.18 1y43 s GLU 113 Cb -0.12 -3.22 0.13 0.00 0.10 0.00 0.00 34.13 31.02 1y43 s GLU 113 CO 0.52 0.23 0.73 0.45 0.02 0.00 0.00 175.26 177.21 1y43 s SER 114 N -0.79 -0.98 0.52 -0.19 0.15 0.11 -4.75 113.70 107.77 1y43 s SER 114 Ca 0.45 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1y43 s SER 114 Cb -0.31 1.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 1y43 s SER 114 CO 0.39 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1y43 n GLY 115 N 5.09 0.42 0.12 9.45 0.00 -1.26 -3.67 105.19 115.35 1y43 n GLY 115 Ca -0.13 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.11 1y43 n GLY 115 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y43 h ASP 116 N 2.81 0.00 0.00 1.61 3.32 -2.03 -3.48 116.42 118.65 1y43 h ASP 116 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1y43 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1y43 h ASP 116 CO 0.00 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.01 1y43 n SER 117 N -2.47 2.08 -4.87 6.45 3.41 -1.24 -5.15 113.62 111.83 1y43 n SER 117 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.33 1y43 n SER 117 Cb 0.47 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1y43 n SER 117 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1y43 s LEU 118 N 0.00 4.18 0.51 1.04 1.43 -1.26 0.06 118.68 124.64 1y43 s LEU 118 Ca 0.00 0.96 -0.22 0.00 -1.03 0.00 0.00 54.13 53.84 1y43 s LEU 118 Cb 0.00 -3.67 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 1y43 s LEU 118 CO 0.00 -0.07 1.24 0.54 0.23 0.00 0.00 176.35 178.29 1y43 s VAL 119 N -1.80 2.68 0.18 -1.59 0.11 0.40 -4.69 120.40 115.68 1y43 s VAL 119 Ca 0.47 0.50 -0.33 0.00 -2.93 0.00 0.00 61.98 59.68 1y43 s VAL 119 Cb -0.11 -3.24 -0.13 0.00 -1.53 0.00 0.00 36.38 31.36 1y43 s VAL 119 CO 0.21 -0.02 1.61 0.00 -3.33 0.00 0.00 175.10 173.57 1y43 n ALA 120 N -0.85 1.79 -2.66 1.54 0.00 -1.26 -4.81 120.51 114.27 1y43 n ALA 120 Ca 0.09 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 1y43 n ALA 120 Cb 0.47 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.50 1y43 n ALA 120 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1y43 s PHE 121 N 0.94 3.32 0.47 0.00 5.36 -1.26 -0.62 117.98 126.19 1y43 s PHE 121 Ca 0.77 1.42 -0.21 0.00 -0.96 0.00 0.00 56.93 57.95 1y43 s PHE 121 Cb -0.63 -3.29 -0.08 0.00 -0.34 0.00 0.00 43.02 38.68 1y43 s PHE 121 CO 0.37 -0.50 1.05 0.00 -1.46 0.00 0.00 175.22 174.68 1y43 s ALA 122 N 3.22 2.91 -0.56 11.12 0.00 -0.58 -4.76 121.76 133.11 1y43 s ALA 122 Ca 0.43 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.83 1y43 s ALA 122 Cb -0.15 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.75 1y43 s ALA 122 CO 0.07 -0.34 0.91 0.34 0.00 0.00 0.00 175.76 176.74 1y43 s ASP 123 N -1.83 6.30 0.00 0.00 -1.08 -1.26 -4.86 116.67 113.94 1y43 s ASP 123 Ca 0.65 -0.50 0.22 0.00 -0.52 0.00 0.00 52.55 52.40 1y43 s ASP 123 Cb -0.19 -2.42 0.51 0.00 -1.46 0.00 0.00 42.92 39.37 1y43 s ASP 123 CO 0.23 -1.21 1.45 2.22 0.52 0.00 0.00 175.17 178.37 1y43 n PHE 124 N 7.34 0.60 0.00 -5.34 1.16 -1.26 -5.01 117.46 114.94 1y43 n PHE 124 Ca -0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 57.45 55.28 1y43 n PHE 124 Cb 0.47 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 1y43 n PHE 124 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1y43 n GLY 125 N 1.49 1.80 3.32 4.97 0.00 -1.26 -4.66 105.19 110.85 1y43 n GLY 125 Ca 0.20 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 1y43 n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y43 s SER 126 N -4.00 -0.33 -0.08 1.61 0.15 -1.26 -0.97 113.70 108.83 1y43 s SER 126 Ca 0.00 0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.96 1y43 s SER 126 Cb 0.00 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1y43 s SER 126 CO 0.00 -0.47 -0.10 -0.69 1.20 0.00 0.00 173.24 173.18 1y43 s VAL 127 N -1.19 1.06 -0.15 4.45 1.01 0.20 -4.99 120.40 120.79 1y43 s VAL 127 Ca -0.12 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1y43 s VAL 127 Cb -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1y43 s VAL 127 CO 0.05 0.35 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 1y43 s THR 128 N 1.00 1.95 -0.24 3.92 2.01 -1.26 -0.54 115.64 122.48 1y43 s THR 128 Ca -0.08 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 1y43 s THR 128 Cb -0.15 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1y43 s THR 128 CO -0.00 0.53 0.54 -0.36 -0.69 0.00 0.00 174.62 174.63 1y43 s PHE 129 N 1.05 3.29 0.37 4.92 0.40 0.64 -4.96 117.98 123.71 1y43 s PHE 129 Ca -0.02 0.70 0.08 0.00 -0.60 0.00 0.00 56.93 57.09 1y43 s PHE 129 Cb -0.14 -2.73 -0.03 0.00 0.51 0.00 0.00 43.02 40.62 1y43 s PHE 129 CO -0.06 -0.25 0.25 0.95 0.70 0.00 0.00 175.22 176.81 1y43 s THR 130 N 2.18 2.92 -1.55 0.64 -4.23 -1.26 -1.64 115.64 112.69 1y43 s THR 130 Ca 0.23 -1.52 -0.12 0.00 -1.18 0.00 0.00 61.69 59.10 1y43 s THR 130 Cb -0.16 -3.04 0.09 0.00 1.34 0.00 0.00 72.50 70.74 1y43 s THR 130 CO 0.09 -0.10 0.83 0.59 -0.54 0.00 0.00 174.62 175.49 1y43 n ASN 131 N -1.33 -3.47 -4.57 3.99 3.02 -1.05 -4.85 115.26 107.00 1y43 n ASN 131 Ca -0.00 -0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 1y43 n ASN 131 Cb 0.62 -3.45 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 1y43 n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y43 s ALA 132 N -3.41 2.90 0.01 5.41 0.00 -0.77 -4.99 121.76 120.91 1y43 s ALA 132 Ca 0.55 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1y43 s ALA 132 Cb -0.28 -4.12 -0.01 0.00 0.00 0.00 0.00 23.12 18.71 1y43 s ALA 132 CO 0.87 -2.91 -0.05 -1.21 0.00 0.00 0.00 175.76 172.46 1y43 s GLU 133 N 5.24 0.36 0.06 0.00 2.02 -1.26 -4.24 118.70 120.88 1y43 s GLU 133 Ca 0.39 -0.28 0.09 0.00 0.02 0.00 0.00 54.97 55.19 1y43 s GLU 133 Cb -0.08 -0.29 -0.03 0.00 0.10 0.00 0.00 34.13 33.83 1y43 s GLU 133 CO 0.21 0.07 -0.24 0.00 0.02 0.00 0.00 175.26 175.33 1y43 s ALA 134 N -0.39 2.02 -0.15 5.21 0.00 -0.18 -4.96 121.76 123.31 1y43 s ALA 134 Ca -0.01 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 1y43 s ALA 134 Cb -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1y43 s ALA 134 CO -0.00 0.46 -0.12 0.99 0.00 0.00 0.00 175.76 177.09 1y43 s THR 135 N -0.88 3.06 -0.04 0.00 2.01 -1.26 -0.68 115.64 117.84 1y43 s THR 135 Ca 0.10 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 1y43 s THR 135 Cb -0.10 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1y43 s THR 135 CO 0.03 0.51 0.00 -0.55 -0.69 0.00 0.00 174.62 173.91 1y43 s SER 136 N 0.62 0.92 -1.67 3.53 0.15 -0.04 -4.82 113.70 112.40 1y43 s SER 136 Ca -0.07 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1y43 s SER 136 Cb -0.15 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 1y43 s SER 136 CO 0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1y43 n GLY 137 N 4.54 0.03 1.79 9.45 0.00 -1.26 -1.37 105.19 118.37 1y43 n GLY 137 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1y43 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y43 n GLY 138 N -0.81 1.71 3.73 -0.02 0.00 -1.26 -5.04 105.19 103.50 1y43 n GLY 138 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1y43 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y43 s SER 139 N -3.18 5.43 -0.07 1.61 1.04 -0.47 -5.09 113.70 112.98 1y43 s SER 139 Ca 0.00 0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.43 1y43 s SER 139 Cb 0.00 -1.52 -0.05 0.00 0.10 0.00 0.00 66.02 64.55 1y43 s SER 139 CO 0.00 0.30 0.28 0.42 0.98 0.00 0.00 173.24 175.22 1y43 s THR 140 N -1.09 5.26 0.05 2.02 -4.23 -1.26 -0.86 115.64 115.54 1y43 s THR 140 Ca 0.19 0.54 0.03 0.00 -1.18 0.00 0.00 61.69 61.27 1y43 s THR 140 Cb -0.12 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1y43 s THR 140 CO 0.10 0.58 -0.10 0.68 -0.54 0.00 0.00 174.62 175.34 1y43 s VAL 141 N -0.93 0.73 0.17 2.29 -7.23 0.14 -4.97 120.40 110.60 1y43 s VAL 141 Ca 0.19 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1y43 s VAL 141 Cb -0.14 -0.77 0.03 0.00 0.56 0.00 0.00 36.38 36.06 1y43 s VAL 141 CO 0.08 -0.34 0.23 0.61 -0.31 0.00 0.00 175.10 175.38 1y43 n GLY 142 N 1.39 1.55 0.31 2.32 0.00 -1.26 -1.01 105.19 108.49 1y43 n GLY 142 Ca -0.22 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 43.76 1y43 n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y43 n PRO 143 N -1.39 1.40 -0.24 1.61 -0.04 -1.26 -4.53 135.00 130.54 1y43 n PRO 143 Ca 0.04 -0.61 0.01 0.00 -0.04 0.00 0.00 63.50 62.90 1y43 n PRO 143 Cb 0.16 -1.22 0.08 0.00 -0.04 0.00 0.00 33.50 32.48 1y43 n PRO 143 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1y43 h SER 144 N 1.08 -0.65 -0.56 3.54 0.02 -1.79 -0.82 113.55 114.36 1y43 h SER 144 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1y43 h SER 144 Cb 0.24 0.44 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1y43 h SER 144 CO 0.00 -0.23 0.00 0.47 -1.14 0.00 0.00 176.83 175.93 1y43 n ASP 145 N -5.47 4.06 -4.79 3.07 8.00 -1.26 -4.98 116.55 115.18 1y43 n ASP 145 Ca 0.09 -2.34 -0.33 0.00 0.71 0.00 0.00 54.79 52.92 1y43 n ASP 145 Cb 0.37 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.96 1y43 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y43 s ALA 146 N -1.74 2.67 -0.01 2.24 0.00 -0.31 -5.00 121.76 119.60 1y43 s ALA 146 Ca 0.43 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1y43 s ALA 146 Cb 0.27 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1y43 s ALA 146 CO 0.22 -0.86 1.04 0.99 0.00 0.00 0.00 175.76 177.14 1y43 s THR 147 N -2.23 4.68 -0.10 0.00 2.01 -1.26 -5.03 115.64 113.72 1y43 s THR 147 Ca 0.67 1.93 -0.16 0.00 0.31 0.00 0.00 61.69 64.43 1y43 s THR 147 Cb -0.19 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 1y43 s THR 147 CO 0.34 0.11 0.41 -0.69 -0.69 0.00 0.00 174.62 174.10 1y43 s VAL 148 N 1.30 5.18 0.06 3.82 1.01 -1.26 -5.08 120.40 125.43 1y43 s VAL 148 Ca 0.53 0.82 0.08 0.00 0.00 0.00 0.00 61.98 63.40 1y43 s VAL 148 Cb -0.22 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1y43 s VAL 148 CO 0.26 0.41 -0.21 -0.04 0.00 0.00 0.00 175.10 175.52 1y43 s MET 149 N 0.13 1.32 0.05 2.72 -1.94 -1.26 -5.12 119.30 115.20 1y43 s MET 149 Ca 0.23 -1.01 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 1y43 s MET 149 Cb -0.15 -1.48 -0.03 0.00 2.01 0.00 0.00 34.83 35.18 1y43 s MET 149 CO 0.09 0.37 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.92 1y43 s ASP 150 N -1.40 0.60 -0.01 3.03 1.01 -1.26 -4.70 116.67 113.94 1y43 s ASP 150 Ca 0.07 -0.81 -0.21 0.00 0.71 0.00 0.00 52.55 52.31 1y43 s ASP 150 Cb -0.09 0.13 -0.05 0.00 1.01 0.00 0.00 42.92 43.92 1y43 s ASP 150 CO 0.03 -0.44 0.62 -0.63 0.21 0.00 0.00 175.17 174.96 1y43 s ILE 151 N -2.86 4.90 -0.08 0.77 1.01 -1.26 -4.99 121.20 118.70 1y43 s ILE 151 Ca -0.01 1.31 -0.02 0.00 0.00 0.00 0.00 60.65 61.93 1y43 s ILE 151 Cb 0.00 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.54 1y43 s ILE 151 CO -0.05 0.39 0.05 -0.70 0.00 0.00 0.00 174.94 174.63 1y43 s GLU 152 N -0.07 0.14 0.00 2.79 2.12 -1.26 -0.75 118.70 121.67 1y43 s GLU 152 Ca 0.32 0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.88 1y43 s GLU 152 Cb -0.18 -0.92 -0.01 0.00 0.26 0.00 0.00 34.13 33.28 1y43 s GLU 152 CO 0.18 -0.40 -0.08 -0.65 -0.54 0.00 0.00 175.26 173.78 1y43 s GLN 153 N 2.10 0.59 -1.70 4.30 -0.21 -0.04 -4.88 119.66 119.82 1y43 s GLN 153 Ca 0.04 -0.34 -0.17 0.00 0.02 0.00 0.00 55.36 54.92 1y43 s GLN 153 Cb -0.13 -0.54 0.15 0.00 1.00 0.00 0.00 33.01 33.48 1y43 s GLN 153 CO -0.05 0.14 0.68 -0.25 -2.12 0.00 0.00 175.29 173.69 1y43 n ASP 154 N 2.69 -2.53 -1.14 5.90 8.00 -1.26 -0.27 116.55 127.93 1y43 n ASP 154 Ca -0.14 -1.06 -0.11 0.00 0.71 0.00 0.00 54.79 54.19 1y43 n ASP 154 Cb 0.57 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.12 39.12 1y43 n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y43 n GLY 155 N -1.47 0.12 2.84 0.44 0.00 -1.26 -5.02 105.19 100.84 1y43 n GLY 155 Ca 0.02 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1y43 n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y43 s SER 156 N -2.58 1.01 -0.12 1.61 0.01 0.63 -5.11 113.70 109.14 1y43 s SER 156 Ca 0.00 -0.09 -0.28 0.00 1.31 0.00 0.00 55.95 56.89 1y43 s SER 156 Cb 0.00 -0.40 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 1y43 s SER 156 CO 0.00 -0.10 0.92 -0.69 0.41 0.00 0.00 173.24 173.78 1y43 s VAL 157 N 1.22 4.84 -0.71 3.43 1.01 -1.26 -0.86 120.40 128.07 1y43 s VAL 157 Ca -0.06 1.85 0.14 0.00 0.00 0.00 0.00 61.98 63.90 1y43 s VAL 157 Cb -0.14 -4.23 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 1y43 s VAL 157 CO -0.02 0.03 0.60 0.18 0.00 0.00 0.00 175.10 175.90 1y43 n LEU 158 N 4.98 0.73 -3.90 3.92 4.77 0.07 -4.74 117.00 122.83 1y43 n LEU 158 Ca 0.06 -0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 55.43 1y43 n LEU 158 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1y43 n LEU 158 CO 0.50 0.17 -0.16 0.42 -1.33 0.00 0.00 177.39 177.00 1y43 s THR 159 N -2.25 0.15 -0.06 -5.08 -4.23 -1.24 -0.65 115.64 102.28 1y43 s THR 159 Ca 0.06 -1.26 -0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1y43 s THR 159 Cb 0.11 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.68 1y43 s THR 159 CO 0.55 -0.69 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.29 1y43 s GLU 160 N -3.62 0.81 -0.04 3.99 2.02 -0.38 -4.58 118.70 116.90 1y43 s GLU 160 Ca 0.03 -0.03 0.05 0.00 0.02 0.00 0.00 54.97 55.05 1y43 s GLU 160 Cb 0.04 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.27 1y43 s GLU 160 CO -0.09 -0.20 -0.19 0.99 0.02 0.00 0.00 175.26 175.79 1y43 s THR 161 N 1.46 2.68 0.02 3.63 2.01 -1.26 -0.89 115.64 123.29 1y43 s THR 161 Ca -0.02 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1y43 s THR 161 Cb -0.13 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1y43 s THR 161 CO -0.03 0.59 -0.08 -0.94 -0.69 0.00 0.00 174.62 173.47 1y43 s SER 162 N -0.66 0.90 0.18 3.53 1.04 -0.30 -5.00 113.70 113.39 1y43 s SER 162 Ca 0.10 -0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.30 1y43 s SER 162 Cb -0.11 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1y43 s SER 162 CO 0.00 -0.03 -0.17 0.68 0.98 0.00 0.00 173.24 174.70 1y43 s VAL 163 N -0.68 1.85 0.00 5.02 -7.23 -1.26 -0.57 120.40 117.53 1y43 s VAL 163 Ca -0.02 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1y43 s VAL 163 Cb -0.06 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1y43 s VAL 163 CO 0.00 -0.39 0.00 -1.54 -0.31 0.00 0.00 175.10 172.86 1y43 n SER 164 N 0.05 1.00 0.22 4.85 3.41 -0.32 -4.99 113.62 117.84 1y43 n SER 164 Ca -0.11 -0.78 0.15 0.00 -0.26 0.00 0.00 58.87 57.87 1y43 n SER 164 Cb 0.58 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 65.11 1y43 n SER 164 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1y43 h GLY 165 N 0.00 0.00 -0.30 5.00 0.00 -1.96 -3.26 103.07 102.54 1y43 h GLY 165 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y43 h GLY 165 CO 0.00 0.00 -0.14 2.09 0.00 0.00 0.00 176.54 178.49 1y43 n ASP 166 N -2.76 0.00 -3.88 0.19 5.68 -1.26 -4.12 116.55 110.39 1y43 n ASP 166 Ca 0.02 -1.27 -0.09 0.00 -0.50 0.00 0.00 54.79 52.94 1y43 n ASP 166 Cb 0.30 -0.05 -0.07 0.00 -1.14 0.00 0.00 41.12 40.15 1y43 n ASP 166 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1y43 s SER 167 N -0.27 0.03 -0.05 -1.12 1.04 -1.25 -1.84 113.70 110.23 1y43 s SER 167 Ca 0.00 -0.72 -0.00 0.00 0.48 0.00 0.00 55.95 55.71 1y43 s SER 167 Cb 0.00 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1y43 s SER 167 CO 0.00 -0.84 -0.01 -0.69 0.98 0.00 0.00 173.24 172.68 1y43 s VAL 168 N -3.91 0.30 -0.13 5.02 1.01 -0.65 -1.18 120.40 120.86 1y43 s VAL 168 Ca 0.11 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1y43 s VAL 168 Cb 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1y43 s VAL 168 CO -0.05 0.20 -0.22 -0.89 0.00 0.00 0.00 175.10 174.14 1y43 s THR 169 N 1.36 2.10 -0.18 3.92 2.01 0.27 -0.26 115.64 124.86 1y43 s THR 169 Ca -0.05 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 1y43 s THR 169 Cb -0.13 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1y43 s THR 169 CO -0.02 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 1y43 s VAL 170 N 0.67 2.74 -0.07 3.82 1.01 0.30 -1.15 120.40 127.72 1y43 s VAL 170 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1y43 s VAL 170 Cb -0.16 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1y43 s VAL 170 CO 0.01 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.56 1y43 s THR 171 N 1.13 2.92 0.18 3.92 2.01 -0.07 -0.63 115.64 125.09 1y43 s THR 171 Ca 0.01 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 1y43 s THR 171 Cb -0.14 -2.16 -0.08 0.00 0.01 0.00 0.00 72.50 70.13 1y43 s THR 171 CO -0.04 0.57 1.08 -0.47 -0.69 0.00 0.00 174.62 175.07 1y43 s TYR 172 N -0.32 3.62 -0.39 4.92 5.04 -0.14 -1.25 117.35 128.84 1y43 s TYR 172 Ca 0.03 1.63 0.03 0.00 -2.44 0.00 0.00 57.07 56.31 1y43 s TYR 172 Cb -0.13 -3.25 0.02 0.00 0.35 0.00 0.00 41.96 38.96 1y43 s TYR 172 CO 0.02 -0.51 0.60 0.28 -1.34 0.00 0.00 175.55 174.60