#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nm3 n GLU 5 N 0.00 -3.77 -0.71 -1.46 1.02 -1.26 -4.85 120.64 109.61 1nm3 n GLU 5 Ca 0.00 2.72 0.00 0.00 -0.02 0.00 0.00 57.16 59.86 1nm3 n GLU 5 Cb 0.00 -3.00 0.00 0.00 -0.02 0.00 0.00 31.44 28.42 1nm3 n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nm3 n GLY 6 N 0.20 1.15 3.84 0.62 0.00 0.34 -4.98 105.19 106.35 1nm3 n GLY 6 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1nm3 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nm3 s LYS 7 N -0.17 2.96 0.10 1.61 1.02 -1.26 -4.82 119.74 119.18 1nm3 s LYS 7 Ca 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 1nm3 s LYS 7 Cb 0.00 -2.59 -0.06 0.00 -0.52 0.00 0.00 37.83 34.67 1nm3 s LYS 7 CO 0.00 0.39 1.05 0.15 -0.92 0.00 0.00 175.35 176.02 1nm3 s LYS 8 N -3.86 4.59 0.58 1.68 1.02 -1.26 -1.04 119.74 121.45 1nm3 s LYS 8 Ca 0.33 1.58 -0.21 0.00 0.02 0.00 0.00 55.97 57.70 1nm3 s LYS 8 Cb -0.08 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1nm3 s LYS 8 CO 0.25 0.03 1.35 0.54 -0.92 0.00 0.00 175.35 176.60 1nm3 s VAL 9 N 0.36 2.01 0.54 3.17 0.11 0.82 -4.92 120.40 122.49 1nm3 s VAL 9 Ca 0.51 0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.36 1nm3 s VAL 9 Cb -0.26 -3.00 -0.06 0.00 -1.53 0.00 0.00 36.38 31.53 1nm3 s VAL 9 CO 0.31 -0.00 1.13 -2.65 -3.33 0.00 0.00 175.10 170.55 1nm3 n PRO 10 N -1.33 1.32 -2.84 1.54 -0.02 -1.26 -4.93 135.00 127.48 1nm3 n PRO 10 Ca 0.12 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 1nm3 n PRO 10 Cb 0.46 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1nm3 n PRO 10 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nm3 s GLN 11 N -2.62 3.28 0.03 -0.52 -1.52 -1.26 -4.84 119.66 112.21 1nm3 s GLN 11 Ca 0.71 -0.38 0.03 0.00 -1.95 0.00 0.00 55.36 53.77 1nm3 s GLN 11 Cb -0.45 -4.09 -0.02 0.00 -0.22 0.00 0.00 33.01 28.23 1nm3 s GLN 11 CO 0.50 -1.56 -0.10 0.08 -0.25 0.00 0.00 175.29 173.96 1nm3 s VAL 12 N 4.00 0.78 -0.22 1.09 1.01 -1.26 -5.00 120.40 120.81 1nm3 s VAL 12 Ca 0.29 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1nm3 s VAL 12 Cb -0.13 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1nm3 s VAL 12 CO 0.17 -0.09 -0.09 -0.89 0.00 0.00 0.00 175.10 174.20 1nm3 s THR 13 N -0.85 2.79 -0.12 3.92 2.01 -1.26 0.92 115.64 123.05 1nm3 s THR 13 Ca -0.02 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 1nm3 s THR 13 Cb -0.07 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1nm3 s THR 13 CO 0.01 0.36 0.41 -0.36 -0.69 0.00 0.00 174.62 174.35 1nm3 s PHE 14 N 1.36 3.51 -0.59 4.92 0.40 0.20 -4.90 117.98 122.88 1nm3 s PHE 14 Ca 0.03 0.80 -0.23 0.00 -0.60 0.00 0.00 56.93 56.93 1nm3 s PHE 14 Cb -0.15 -2.47 0.05 0.00 0.51 0.00 0.00 43.02 40.97 1nm3 s PHE 14 CO -0.06 0.22 0.94 1.03 0.70 0.00 0.00 175.22 178.05 1nm3 s ARG 15 N 0.45 3.24 0.45 0.44 3.00 -1.26 -0.62 118.95 124.66 1nm3 s ARG 15 Ca 0.23 -0.49 0.07 0.00 0.00 0.00 0.00 55.73 55.54 1nm3 s ARG 15 Cb -0.15 -4.12 -0.01 0.00 0.00 0.00 0.00 34.95 30.68 1nm3 s ARG 15 CO 0.08 -1.60 0.33 0.95 0.00 0.00 0.00 175.30 175.07 1nm3 s THR 16 N 3.96 2.28 -0.04 0.02 -4.23 -0.74 -4.59 115.64 112.31 1nm3 s THR 16 Ca 0.27 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 1nm3 s THR 16 Cb -0.14 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 1nm3 s THR 16 CO 0.16 0.00 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.97 1nm3 s ARG 17 N -4.11 1.45 -0.37 3.99 1.81 -1.26 -1.37 118.95 119.09 1nm3 s ARG 17 Ca 0.42 -0.49 0.00 0.00 -1.72 0.00 0.00 55.73 53.95 1nm3 s ARG 17 Cb -0.01 -1.29 0.12 0.00 -0.45 0.00 0.00 34.95 33.32 1nm3 s ARG 17 CO 0.25 0.20 0.18 -0.65 -0.68 0.00 0.00 175.30 174.59 1nm3 s GLN 18 N 0.08 0.85 7.30 3.54 -0.21 -0.70 -4.96 119.66 125.56 1nm3 s GLN 18 Ca -0.03 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 53.90 1nm3 s GLN 18 Cb -0.10 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 32.01 1nm3 s GLN 18 CO 0.01 -1.11 0.00 0.41 -2.12 0.00 0.00 175.29 172.48 1nm3 n GLY 19 N 4.19 1.82 1.40 3.09 0.00 -1.26 -2.59 105.19 111.84 1nm3 n GLY 19 Ca 0.05 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.68 1nm3 n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nm3 n ASP 20 N 8.07 4.57 -4.21 1.61 3.85 -1.26 -4.96 116.55 124.22 1nm3 n ASP 20 Ca 0.00 -2.58 -0.24 0.00 -0.71 0.00 0.00 54.79 51.25 1nm3 n ASP 20 Cb 0.00 -0.55 -0.14 0.00 -1.35 0.00 0.00 41.12 39.08 1nm3 n ASP 20 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1nm3 s LYS 21 N -2.09 1.32 0.19 0.11 -2.85 -1.07 -5.12 119.74 110.24 1nm3 s LYS 21 Ca 0.47 -0.82 -0.28 0.00 -1.00 0.00 0.00 55.97 54.34 1nm3 s LYS 21 Cb 0.32 -1.37 -0.08 0.00 -2.06 0.00 0.00 37.83 34.64 1nm3 s LYS 21 CO 0.19 0.36 0.89 -1.58 0.10 0.00 0.00 175.35 175.31 1nm3 s TRP 22 N -0.70 3.93 -0.05 1.78 0.52 -1.26 -1.72 118.94 121.44 1nm3 s TRP 22 Ca 0.06 1.80 -0.02 0.00 0.02 0.00 0.00 56.10 57.97 1nm3 s TRP 22 Cb -0.08 -2.92 0.03 0.00 -1.15 0.00 0.00 33.47 29.35 1nm3 s TRP 22 CO 0.01 0.44 0.05 0.08 0.02 0.00 0.00 176.95 177.55 1nm3 s VAL 23 N -0.98 -0.02 -0.14 4.03 1.01 -0.47 -4.95 120.40 118.88 1nm3 s VAL 23 Ca 0.40 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 1nm3 s VAL 23 Cb -0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1nm3 s VAL 23 CO 0.30 0.16 1.01 -1.81 0.00 0.00 0.00 175.10 174.76 1nm3 s ASP 24 N 2.13 7.20 -0.27 3.32 1.11 -1.26 -1.78 116.67 127.11 1nm3 s ASP 24 Ca 0.05 1.48 -0.05 0.00 0.18 0.00 0.00 52.55 54.20 1nm3 s ASP 24 Cb -0.12 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.33 1nm3 s ASP 24 CO -0.04 -0.51 0.03 -0.69 1.18 0.00 0.00 175.17 175.14 1nm3 s VAL 25 N 2.36 3.63 0.33 -1.27 1.01 0.21 -4.92 120.40 121.75 1nm3 s VAL 25 Ca 0.47 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1nm3 s VAL 25 Cb -0.17 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1nm3 s VAL 25 CO 0.14 0.16 0.63 0.42 0.00 0.00 0.00 175.10 176.45 1nm3 s THR 26 N 1.46 4.93 0.26 3.92 -4.23 -1.26 0.62 115.64 121.34 1nm3 s THR 26 Ca 0.02 0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.76 1nm3 s THR 26 Cb -0.17 -3.73 0.26 0.00 1.34 0.00 0.00 72.50 70.20 1nm3 s THR 26 CO 0.00 -0.40 1.92 0.00 -0.54 0.00 0.00 174.62 175.60 1nm3 h THR 27 N 1.25 1.20 -0.20 3.99 1.03 0.22 -2.24 112.91 118.16 1nm3 h THR 27 Ca -0.47 -0.44 -0.03 0.00 -0.01 0.00 0.00 66.41 65.46 1nm3 h THR 27 Cb 1.19 -0.18 -0.01 0.00 -1.07 0.00 0.00 68.15 68.08 1nm3 h THR 27 CO 0.65 0.23 0.01 0.77 -0.01 0.00 0.00 175.52 177.17 1nm3 h SER 28 N 1.27 0.35 -0.79 0.00 4.64 -1.91 -1.22 113.55 115.89 1nm3 h SER 28 Ca 0.38 -0.30 0.16 0.00 -0.47 0.00 0.00 61.79 61.56 1nm3 h SER 28 Cb -0.05 -0.09 -0.10 0.00 -0.31 0.00 0.00 62.40 61.84 1nm3 h SER 28 CO -0.11 0.56 0.32 -0.08 -0.87 0.00 0.00 176.83 176.66 1nm3 h GLU 29 N 0.12 0.42 -0.07 4.77 4.81 -1.83 0.14 114.58 122.94 1nm3 h GLU 29 Ca 0.06 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1nm3 h GLU 29 Cb 0.38 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1nm3 h GLU 29 CO 0.01 0.28 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.28 1nm3 h LEU 30 N 0.43 0.32 0.02 1.64 3.38 -1.13 -3.40 115.31 116.57 1nm3 h LEU 30 Ca 0.45 -0.61 -0.36 0.00 0.09 0.00 0.00 57.88 57.45 1nm3 h LEU 30 Cb 0.73 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1nm3 h LEU 30 CO -0.44 0.87 -2.20 0.49 0.09 0.00 0.00 178.44 177.26 1nm3 n PHE 31 N -4.52 0.45 -1.60 1.13 3.01 -0.49 -4.85 117.46 110.59 1nm3 n PHE 31 Ca -0.08 0.13 -0.49 0.00 1.01 0.00 0.00 57.45 58.02 1nm3 n PHE 31 Cb 0.44 -1.07 -0.04 0.00 -0.01 0.00 0.00 39.48 38.79 1nm3 n PHE 31 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nm3 n ASP 32 N -3.09 1.67 -3.14 4.37 8.00 0.45 -1.85 116.55 122.96 1nm3 n ASP 32 Ca -0.33 1.13 -0.20 0.00 0.71 0.00 0.00 54.79 56.10 1nm3 n ASP 32 Cb 1.07 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1nm3 n ASP 32 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nm3 n ASN 33 N 2.23 -3.73 -3.95 -2.24 3.02 -1.26 -4.93 115.26 104.40 1nm3 n ASN 33 Ca 0.16 -0.24 -0.09 0.00 -0.03 0.00 0.00 54.58 54.37 1nm3 n ASN 33 Cb 0.24 -3.11 -0.10 0.00 -0.61 0.00 0.00 39.78 36.21 1nm3 n ASN 33 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nm3 s LYS 34 N -5.77 0.51 -0.37 3.52 1.02 -0.77 -4.93 119.74 112.95 1nm3 s LYS 34 Ca 0.30 -0.73 -0.13 0.00 0.02 0.00 0.00 55.97 55.44 1nm3 s LYS 34 Cb -0.16 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.35 1nm3 s LYS 34 CO 0.37 -0.12 0.25 0.99 -0.92 0.00 0.00 175.35 175.93 1nm3 s THR 35 N -2.32 5.09 0.00 2.17 2.01 -1.26 -1.20 115.64 120.13 1nm3 s THR 35 Ca -0.08 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.47 1nm3 s THR 35 Cb -0.03 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1nm3 s THR 35 CO -0.04 -0.16 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.82 1nm3 s VAL 36 N 1.67 1.78 -0.13 3.82 1.01 0.95 -0.07 120.40 129.41 1nm3 s VAL 36 Ca 0.05 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1nm3 s VAL 36 Cb -0.18 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1nm3 s VAL 36 CO 0.09 0.42 0.09 -0.63 0.00 0.00 0.00 175.10 175.07 1nm3 s ILE 37 N -0.61 5.03 0.01 2.22 1.01 -0.32 0.74 121.20 129.28 1nm3 s ILE 37 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1nm3 s ILE 37 Cb -0.09 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1nm3 s ILE 37 CO -0.00 0.56 -0.07 -0.69 0.00 0.00 0.00 174.94 174.74 1nm3 s VAL 38 N -0.53 0.55 -0.10 2.92 1.01 -1.26 -0.40 120.40 122.58 1nm3 s VAL 38 Ca 0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1nm3 s VAL 38 Cb -0.12 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.79 1nm3 s VAL 38 CO 0.02 -0.04 0.22 0.72 0.00 0.00 0.00 175.10 176.01 1nm3 s PHE 39 N -0.60 -0.30 0.18 5.22 -0.12 -0.87 -4.13 117.98 117.35 1nm3 s PHE 39 Ca -0.02 0.76 -0.09 0.00 -0.05 0.00 0.00 56.93 57.54 1nm3 s PHE 39 Cb -0.05 -0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.20 1nm3 s PHE 39 CO 0.00 -0.27 0.48 -1.12 -0.05 0.00 0.00 175.22 174.26 1nm3 s SER 40 N 1.90 6.61 0.14 1.98 0.01 0.50 -1.83 113.70 123.01 1nm3 s SER 40 Ca -0.03 0.82 0.08 0.00 1.31 0.00 0.00 55.95 58.14 1nm3 s SER 40 Cb -0.12 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1nm3 s SER 40 CO -0.07 0.01 -0.19 -0.76 0.41 0.00 0.00 173.24 172.64 1nm3 s LEU 41 N -2.56 2.39 0.30 2.44 1.43 -0.27 -3.41 118.68 119.00 1nm3 s LEU 41 Ca 0.43 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1nm3 s LEU 41 Cb -0.12 -0.85 0.46 0.00 0.03 0.00 0.00 46.19 45.70 1nm3 s LEU 41 CO 0.21 0.00 1.92 1.55 0.23 0.00 0.00 176.35 180.26 1nm3 h PRO 42 N 3.54 0.94 -1.47 1.29 0.13 -1.89 -3.38 132.00 131.15 1nm3 h PRO 42 Ca -0.44 -0.11 0.27 0.00 -0.87 0.00 0.00 66.00 64.86 1nm3 h PRO 42 Cb 1.20 -0.18 -0.17 0.00 0.13 0.00 0.00 31.00 31.97 1nm3 h PRO 42 CO 0.47 0.70 0.82 0.20 -0.23 0.00 0.00 178.00 179.96 1nm3 s GLY 43 N -3.47 -0.32 0.43 1.56 0.00 -1.26 -4.20 107.32 100.06 1nm3 s GLY 43 Ca -0.11 1.37 -0.22 0.00 0.00 0.00 0.00 44.72 45.77 1nm3 s GLY 43 CO 0.79 0.43 0.99 0.00 0.00 0.00 0.00 173.10 175.31 1nm3 s ALA 44 N -2.42 3.01 -0.58 3.20 0.00 -1.26 -4.21 121.76 119.50 1nm3 s ALA 44 Ca 0.11 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1nm3 s ALA 44 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1nm3 s ALA 44 CO -0.04 -0.05 0.49 1.19 0.00 0.00 0.00 175.76 177.35 1nm3 n PHE 45 N -0.56 -1.11 -4.11 0.00 3.01 -1.26 -5.08 117.46 108.36 1nm3 n PHE 45 Ca 0.07 0.45 -0.12 0.00 1.01 0.00 0.00 57.45 58.86 1nm3 n PHE 45 Cb 0.53 -3.28 -0.11 0.00 -0.01 0.00 0.00 39.48 36.61 1nm3 n PHE 45 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1nm3 s THR 46 N -3.16 0.60 0.00 4.37 -4.23 -1.26 -5.07 115.64 106.89 1nm3 s THR 46 Ca 0.08 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1nm3 s THR 46 Cb -0.03 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1nm3 s THR 46 CO 0.34 -0.58 0.43 -2.65 -0.54 0.00 0.00 174.62 171.62 1nm3 n PRO 47 N 0.85 0.00 0.27 3.99 -0.02 -1.26 -0.82 135.00 138.01 1nm3 n PRO 47 Ca -0.18 0.40 0.18 0.00 -2.02 0.00 0.00 63.50 61.88 1nm3 n PRO 47 Cb 0.57 -0.93 0.88 0.00 -0.02 0.00 0.00 33.50 34.00 1nm3 n PRO 47 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1nm3 h THR 48 N 0.00 0.00 0.19 3.45 2.02 -1.97 1.24 112.91 117.84 1nm3 h THR 48 Ca 0.00 -0.17 -0.32 0.00 0.77 0.00 0.00 66.41 66.69 1nm3 h THR 48 Cb 0.00 1.04 0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1nm3 h THR 48 CO 0.00 0.00 -1.48 0.00 0.37 0.00 0.00 175.52 174.41 1nm3 n SER 50 N -3.60 0.85 0.20 0.00 7.64 0.00 -1.99 113.62 116.72 1nm3 n SER 50 Ca -0.16 -0.70 -0.11 0.00 1.01 0.00 0.00 58.87 58.91 1nm3 n SER 50 Cb 1.07 0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 64.82 1nm3 n SER 50 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1nm3 h SER 51 N 0.20 -0.77 0.00 6.43 0.02 0.15 -3.42 113.55 116.16 1nm3 h SER 51 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1nm3 h SER 51 Cb 0.51 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1nm3 h SER 51 CO 0.00 -0.41 0.00 -1.54 -1.14 0.00 0.00 176.83 173.74 1nm3 n SER 52 N -4.14 0.00 -0.30 3.07 3.41 -1.25 -4.78 113.62 109.62 1nm3 n SER 52 Ca -0.08 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.65 1nm3 n SER 52 Cb 0.28 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.48 1nm3 n SER 52 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1nm3 h HIS 53 N 0.00 0.08 0.04 7.33 6.17 -1.70 0.16 115.15 127.23 1nm3 h HIS 53 Ca 0.00 0.06 -0.10 0.00 0.71 0.00 0.00 60.37 61.04 1nm3 h HIS 53 Cb 0.00 0.10 -0.00 0.00 2.52 0.00 0.00 27.41 30.03 1nm3 h HIS 53 CO 0.00 -0.30 -0.51 1.25 0.71 0.00 0.00 177.93 179.08 1nm3 h LEU 54 N 0.10 0.13 0.13 0.26 5.85 -1.69 -3.26 115.31 116.83 1nm3 h LEU 54 Ca 0.53 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1nm3 h LEU 54 Cb 1.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1nm3 h LEU 54 CO -0.76 1.22 -0.12 -0.65 -0.34 0.00 0.00 178.44 177.79 1nm3 h PRO 55 N -0.81 -0.27 -1.00 5.25 0.11 -1.71 -2.43 132.00 131.15 1nm3 h PRO 55 Ca -0.12 0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.26 1nm3 h PRO 55 Cb 1.25 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.34 1nm3 h PRO 55 CO -0.00 -0.18 0.66 -0.09 -0.21 0.00 0.00 178.00 178.18 1nm3 h ARG 56 N -0.28 0.35 -0.02 1.05 9.65 -0.87 0.26 114.38 124.52 1nm3 h ARG 56 Ca 0.00 -0.02 -0.25 0.00 -1.10 0.00 0.00 59.98 58.62 1nm3 h ARG 56 Cb 0.26 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1nm3 h ARG 56 CO -0.03 0.23 -0.97 1.88 2.80 0.00 0.00 179.97 183.88 1nm3 h TYR 57 N 0.36 0.88 -0.23 2.20 -1.99 -1.50 -2.51 116.97 114.18 1nm3 h TYR 57 Ca 0.54 -0.47 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 1nm3 h TYR 57 Cb 1.45 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 40.06 1nm3 h TYR 57 CO -0.00 1.30 -0.29 -0.97 -0.00 0.00 0.00 178.16 178.20 1nm3 h ASN 58 N 0.35 0.46 -0.41 3.88 -1.24 -0.47 -1.83 115.58 116.32 1nm3 h ASN 58 Ca -0.10 -0.16 -0.14 0.00 0.71 0.00 0.00 56.30 56.61 1nm3 h ASN 58 Cb 1.61 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.53 1nm3 h ASN 58 CO 0.18 0.73 -0.28 -0.08 -1.29 0.00 0.00 177.43 176.70 1nm3 h GLU 59 N 0.39 0.91 -0.06 6.67 4.81 -0.57 -3.14 114.58 123.60 1nm3 h GLU 59 Ca 0.05 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1nm3 h GLU 59 Cb 0.71 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1nm3 h GLU 59 CO 0.05 1.09 0.00 1.28 -0.73 0.00 0.00 179.01 180.70 1nm3 n LEU 60 N -4.14 1.46 -0.18 1.64 4.77 -0.95 -4.33 117.00 115.27 1nm3 n LEU 60 Ca -0.02 -0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 55.42 1nm3 n LEU 60 Cb 0.49 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1nm3 n LEU 60 CO 0.47 0.27 0.98 0.00 -1.33 0.00 0.00 177.39 177.78 1nm3 h ALA 61 N 4.23 0.70 -0.90 -1.18 0.00 -1.28 -1.10 119.26 119.74 1nm3 h ALA 61 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1nm3 h ALA 61 Cb 0.46 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1nm3 h ALA 61 CO 0.00 -0.19 0.58 -1.35 0.00 0.00 0.00 179.25 178.30 1nm3 h PRO 62 N 0.40 0.92 -0.30 0.00 0.11 -1.80 -0.90 132.00 130.41 1nm3 h PRO 62 Ca 0.27 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 1nm3 h PRO 62 Cb 0.30 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1nm3 h PRO 62 CO -0.27 0.61 -0.06 0.28 -0.21 0.00 0.00 178.00 178.35 1nm3 h VAL 63 N 0.94 1.28 -0.76 3.15 2.07 -1.53 -1.50 116.25 119.90 1nm3 h VAL 63 Ca 0.41 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1nm3 h VAL 63 Cb 0.33 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1nm3 h VAL 63 CO -0.17 0.35 0.48 -0.26 0.02 0.00 0.00 177.57 178.00 1nm3 h PHE 64 N 0.35 0.98 -0.43 1.57 0.05 -0.60 -1.45 116.94 117.43 1nm3 h PHE 64 Ca 0.08 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.85 1nm3 h PHE 64 Cb 0.54 -0.33 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 1nm3 h PHE 64 CO 0.05 0.64 0.14 0.87 -0.18 0.00 0.00 178.31 179.82 1nm3 h LYS 65 N 1.04 0.66 0.00 1.51 1.79 -1.03 0.81 116.57 121.35 1nm3 h LYS 65 Ca 0.28 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1nm3 h LYS 65 Cb -0.08 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.47 1nm3 h LYS 65 CO -0.06 0.64 -0.00 0.87 -1.08 0.00 0.00 179.45 179.82 1nm3 h LYS 66 N 0.55 0.00 -0.47 3.15 1.57 -0.27 -1.13 116.57 119.96 1nm3 h LYS 66 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1nm3 h LYS 66 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1nm3 h LYS 66 CO -0.01 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1nm3 n TYR 67 N -3.28 1.41 0.00 -1.35 4.02 -0.52 -4.96 117.16 112.49 1nm3 n TYR 67 Ca -0.03 -0.72 0.00 0.00 -0.01 0.00 0.00 57.90 57.14 1nm3 n TYR 67 Cb 0.08 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 1nm3 n TYR 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nm3 n GLY 68 N 0.38 0.89 3.69 2.72 0.00 -0.43 -5.04 105.19 107.41 1nm3 n GLY 68 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1nm3 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nm3 s VAL 69 N -2.24 3.67 -0.10 1.61 1.01 0.16 -4.63 120.40 119.89 1nm3 s VAL 69 Ca 0.00 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.97 1nm3 s VAL 69 Cb 0.00 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1nm3 s VAL 69 CO 0.00 0.00 0.26 0.44 0.00 0.00 0.00 175.10 175.80 1nm3 h ASP 70 N 7.77 -0.07 -4.35 3.32 3.32 -0.79 -3.32 116.42 122.31 1nm3 h ASP 70 Ca -0.38 -0.18 -0.45 0.00 0.02 0.00 0.00 57.03 56.04 1nm3 h ASP 70 Cb 1.18 0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 1nm3 h ASP 70 CO 0.90 0.51 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.33 1nm3 s ASP 71 N -5.58 1.93 -0.21 6.45 1.01 -1.21 -4.97 116.67 114.09 1nm3 s ASP 71 Ca -0.05 -0.66 0.01 0.00 0.71 0.00 0.00 52.55 52.56 1nm3 s ASP 71 Cb -0.00 -0.07 0.04 0.00 1.01 0.00 0.00 42.92 43.89 1nm3 s ASP 71 CO 0.17 -0.05 -0.12 -0.63 0.21 0.00 0.00 175.17 174.74 1nm3 s ILE 72 N -1.37 1.82 0.08 0.77 1.01 -1.26 -1.18 121.20 121.08 1nm3 s ILE 72 Ca 0.02 -1.11 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1nm3 s ILE 72 Cb -0.09 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1nm3 s ILE 72 CO 0.03 0.21 0.01 -0.76 0.00 0.00 0.00 174.94 174.43 1nm3 s LEU 73 N 1.32 3.51 -0.16 2.97 1.43 0.46 -1.74 118.68 126.47 1nm3 s LEU 73 Ca -0.01 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1nm3 s LEU 73 Cb -0.16 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 1nm3 s LEU 73 CO -0.09 0.19 -0.12 -0.69 0.23 0.00 0.00 176.35 175.87 1nm3 s VAL 74 N -1.29 2.98 -0.05 -1.59 1.01 -0.13 -2.05 120.40 119.28 1nm3 s VAL 74 Ca 0.25 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1nm3 s VAL 74 Cb -0.12 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1nm3 s VAL 74 CO 0.18 0.50 -0.25 -0.69 0.00 0.00 0.00 175.10 174.84 1nm3 s VAL 75 N 0.73 2.05 -0.07 2.92 1.01 -0.76 -0.67 120.40 125.60 1nm3 s VAL 75 Ca -0.05 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 1nm3 s VAL 75 Cb -0.15 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1nm3 s VAL 75 CO 0.02 0.57 0.30 -0.55 0.00 0.00 0.00 175.10 175.43 1nm3 s SER 76 N -0.21 -0.25 -1.29 3.32 0.15 -1.14 -1.12 113.70 113.16 1nm3 s SER 76 Ca -0.02 0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.84 1nm3 s SER 76 Cb -0.13 0.50 0.07 0.00 -1.71 0.00 0.00 66.02 64.75 1nm3 s SER 76 CO 0.03 -0.23 1.72 -0.69 1.20 0.00 0.00 173.24 175.27 1nm3 s VAL 77 N -0.43 4.15 0.16 4.45 1.01 -1.26 -1.69 120.40 126.79 1nm3 s VAL 77 Ca -0.05 -1.92 -0.08 0.00 0.00 0.00 0.00 61.98 59.93 1nm3 s VAL 77 Cb -0.04 -5.19 -0.01 0.00 0.00 0.00 0.00 36.38 31.14 1nm3 s VAL 77 CO 0.02 -2.01 0.25 0.20 0.00 0.00 0.00 175.10 173.55 1nm3 s ASN 78 N 4.20 0.08 0.63 3.32 -0.87 -1.26 -4.77 114.94 116.27 1nm3 s ASN 78 Ca 0.53 -0.92 -0.01 0.00 -1.57 0.00 0.00 52.86 50.90 1nm3 s ASN 78 Cb 0.04 0.42 0.07 0.00 -0.02 0.00 0.00 41.25 41.75 1nm3 s ASN 78 CO 0.07 -0.87 0.89 1.51 -2.57 0.00 0.00 177.10 176.13 1nm3 s ASP 79 N -2.98 4.90 0.17 -1.22 1.47 -1.26 -1.02 116.67 116.74 1nm3 s ASP 79 Ca 0.18 -0.02 -0.10 0.00 1.18 0.00 0.00 52.55 53.79 1nm3 s ASP 79 Cb 0.04 -0.67 0.06 0.00 -0.34 0.00 0.00 42.92 42.01 1nm3 s ASP 79 CO 0.00 -1.45 1.65 0.71 0.68 0.00 0.00 175.17 176.77 1nm3 h THR 80 N -0.24 1.26 -0.30 2.11 1.35 -1.86 -2.98 112.91 112.25 1nm3 h THR 80 Ca -0.41 -1.07 0.06 0.00 -0.55 0.00 0.00 66.41 64.44 1nm3 h THR 80 Cb 1.29 0.78 -0.06 0.00 -1.73 0.00 0.00 68.15 68.43 1nm3 h THR 80 CO 0.50 0.39 -0.09 -0.26 -0.25 0.00 0.00 175.52 175.81 1nm3 h PHE 81 N 0.92 -0.19 0.00 4.73 -1.00 -1.95 0.77 116.94 120.22 1nm3 h PHE 81 Ca 0.18 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.98 1nm3 h PHE 81 Cb 0.49 0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.18 1nm3 h PHE 81 CO 0.04 -0.14 0.00 0.28 -1.61 0.00 0.00 178.31 176.87 1nm3 n VAL 82 N -5.26 0.53 0.00 -0.55 0.31 -1.13 -1.68 118.33 110.55 1nm3 n VAL 82 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1nm3 n VAL 82 Cb 0.18 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1nm3 n VAL 82 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1nm3 n ASN 84 N 0.86 0.00 0.04 4.52 3.02 0.27 -1.75 115.26 122.22 1nm3 n ASN 84 Ca 0.00 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.76 1nm3 n ASN 84 Cb 0.24 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.14 1nm3 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nm3 h ALA 85 N 0.00 2.28 0.13 5.41 0.00 -1.51 0.14 119.26 125.70 1nm3 h ALA 85 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1nm3 h ALA 85 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1nm3 h ALA 85 CO 0.00 -0.70 -1.39 2.35 0.00 0.00 0.00 179.25 179.52 1nm3 h TRP 86 N 0.00 0.48 -0.36 0.00 7.01 -1.60 -3.09 115.95 118.39 1nm3 h TRP 86 Ca 0.23 -0.35 0.07 0.00 2.11 0.00 0.00 58.89 60.96 1nm3 h TRP 86 Cb 1.12 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 28.14 1nm3 h TRP 86 CO 0.00 1.54 0.25 -0.22 -2.79 0.00 0.00 178.44 177.22 1nm3 h LYS 87 N -0.27 0.15 0.00 2.65 3.64 -1.33 0.16 116.57 121.57 1nm3 h LYS 87 Ca -0.29 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 58.91 1nm3 h LYS 87 Cb 1.78 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.54 1nm3 h LYS 87 CO 0.08 0.10 -0.82 1.49 -2.27 0.00 0.00 179.45 178.03 1nm3 h GLU 88 N 0.15 0.00 0.00 1.90 4.57 -0.89 -3.25 114.58 117.06 1nm3 h GLU 88 Ca 0.17 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1nm3 h GLU 88 Cb 0.46 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1nm3 h GLU 88 CO -0.02 0.82 -0.24 0.22 -1.18 0.00 0.00 179.01 178.60 1nm3 h ASP 89 N 0.00 0.21 -4.09 1.04 3.58 -0.89 -3.43 116.42 112.84 1nm3 h ASP 89 Ca -0.01 -0.79 -0.47 0.00 0.42 0.00 0.00 57.03 56.18 1nm3 h ASP 89 Cb 1.46 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 42.47 1nm3 h ASP 89 CO 0.11 0.98 0.38 -1.61 -2.88 0.00 0.00 179.24 176.21 1nm3 s GLU 90 N -3.06 3.82 -0.79 0.28 0.41 0.35 -4.98 118.70 114.73 1nm3 s GLU 90 Ca -0.16 1.30 0.01 0.00 -0.41 0.00 0.00 54.97 55.71 1nm3 s GLU 90 Cb 0.01 -2.10 0.19 0.00 -1.78 0.00 0.00 34.13 30.45 1nm3 s GLU 90 CO 0.74 -0.40 0.63 0.15 -0.49 0.00 0.00 175.26 175.89 1nm3 s LYS 91 N -3.33 2.88 -0.42 1.61 1.02 -1.26 -4.75 119.74 115.48 1nm3 s LYS 91 Ca 0.66 -3.26 0.02 0.00 0.02 0.00 0.00 55.97 53.41 1nm3 s LYS 91 Cb -0.15 -3.71 0.14 0.00 -0.52 0.00 0.00 37.83 33.58 1nm3 s LYS 91 CO 0.21 -1.26 0.23 -1.54 -0.92 0.00 0.00 175.35 172.07 1nm3 s SER 92 N -0.64 3.54 0.00 2.83 1.04 -1.26 -4.96 113.70 114.25 1nm3 s SER 92 Ca 0.26 -2.55 0.30 0.00 0.48 0.00 0.00 55.95 54.44 1nm3 s SER 92 Cb -0.07 -0.93 1.55 0.00 0.10 0.00 0.00 66.02 66.66 1nm3 s SER 92 CO -0.13 -0.27 2.02 -1.84 0.98 0.00 0.00 173.24 174.00 1nm3 n GLU 93 N 3.63 1.24 -0.02 4.02 -0.00 -1.26 -3.92 120.64 124.34 1nm3 n GLU 93 Ca 0.09 -0.39 0.12 0.00 -0.00 0.00 0.00 57.16 56.99 1nm3 n GLU 93 Cb 0.35 -1.49 0.14 0.00 -0.00 0.00 0.00 31.44 30.44 1nm3 n GLU 93 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1nm3 n ASN 94 N -0.54 2.94 -4.12 -1.84 3.02 -1.26 -4.97 115.26 108.49 1nm3 n ASN 94 Ca 0.22 -1.97 -0.16 0.00 -0.03 0.00 0.00 54.58 52.64 1nm3 n ASN 94 Cb 0.21 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 1nm3 n ASN 94 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1nm3 s ILE 95 N -1.95 0.85 -0.00 2.41 -4.36 -1.25 -4.64 121.20 112.25 1nm3 s ILE 95 Ca 0.30 -1.23 -0.14 0.00 -0.26 0.00 0.00 60.65 59.31 1nm3 s ILE 95 Cb 0.20 -0.89 -0.06 0.00 1.25 0.00 0.00 42.46 42.97 1nm3 s ILE 95 CO 0.30 -0.32 0.40 -0.44 0.24 0.00 0.00 174.94 175.12 1nm3 s SER 96 N -1.72 6.79 -0.24 4.36 0.01 -0.71 -4.96 113.70 117.24 1nm3 s SER 96 Ca -0.05 0.95 -0.12 0.00 1.31 0.00 0.00 55.95 58.04 1nm3 s SER 96 Cb -0.09 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 1nm3 s SER 96 CO 0.01 0.33 0.22 -0.36 0.41 0.00 0.00 173.24 173.85 1nm3 s PHE 97 N -1.08 3.32 -0.28 2.43 0.40 -1.26 -0.96 117.98 120.55 1nm3 s PHE 97 Ca 0.24 0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 56.82 1nm3 s PHE 97 Cb -0.16 -2.35 0.01 0.00 0.51 0.00 0.00 43.02 41.03 1nm3 s PHE 97 CO 0.13 0.02 0.06 0.42 0.70 0.00 0.00 175.22 176.55 1nm3 s ILE 98 N 1.20 3.83 -1.14 0.64 1.09 0.16 -4.95 121.20 122.03 1nm3 s ILE 98 Ca 0.10 -0.69 -0.18 0.00 -1.10 0.00 0.00 60.65 58.78 1nm3 s ILE 98 Cb -0.14 -2.95 0.10 0.00 -1.06 0.00 0.00 42.46 38.41 1nm3 s ILE 98 CO 0.06 0.12 1.47 -2.16 -0.10 0.00 0.00 174.94 174.34 1nm3 s PRO 99 N 1.48 3.85 -0.22 2.79 0.04 -1.26 -2.89 135.00 138.80 1nm3 s PRO 99 Ca 0.03 -1.91 -0.06 0.00 0.04 0.00 0.00 61.00 59.10 1nm3 s PRO 99 Cb -0.17 -5.25 -0.18 0.00 0.04 0.00 0.00 34.50 28.94 1nm3 s PRO 99 CO 0.01 -2.02 3.38 -3.47 0.04 0.00 0.00 177.00 174.94 1nm3 n ASP 100 N 7.42 5.76 0.18 6.66 2.03 -0.68 -4.69 116.55 133.23 1nm3 n ASP 100 Ca 0.37 -2.66 0.18 0.00 0.52 0.00 0.00 54.79 53.20 1nm3 n ASP 100 Cb 0.47 -1.38 0.77 0.00 -0.72 0.00 0.00 41.12 40.25 1nm3 n ASP 100 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1nm3 h GLY 101 N 4.88 0.00 -1.50 0.27 0.00 -1.24 0.22 103.07 105.70 1nm3 h GLY 101 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1nm3 h GLY 101 CO 0.48 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.72 1nm3 n ASN 102 N -3.42 2.55 0.00 0.19 3.02 -1.26 -4.67 115.26 111.67 1nm3 n ASN 102 Ca 0.04 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 1nm3 n ASN 102 Cb 0.53 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1nm3 n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nm3 n GLY 103 N 1.31 0.29 0.49 7.41 0.00 0.76 -4.89 105.19 110.56 1nm3 n GLY 103 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1nm3 n GLY 103 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nm3 h GLU 104 N 0.76 -0.91 -0.45 1.61 4.81 -1.91 0.42 114.58 118.92 1nm3 h GLU 104 Ca 0.00 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1nm3 h GLU 104 Cb 0.34 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1nm3 h GLU 104 CO 0.00 -0.61 0.22 0.35 -0.73 0.00 0.00 179.01 178.24 1nm3 h PHE 105 N -0.94 0.41 -0.90 0.92 3.57 -1.90 0.15 116.94 118.24 1nm3 h PHE 105 Ca -0.05 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1nm3 h PHE 105 Cb 0.84 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 1nm3 h PHE 105 CO -0.29 0.20 0.58 1.15 -2.23 0.00 0.00 178.31 177.73 1nm3 h THR 106 N 0.44 1.15 0.06 4.41 2.02 -1.87 -2.51 112.91 116.62 1nm3 h THR 106 Ca 0.19 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1nm3 h THR 106 Cb 0.10 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1nm3 h THR 106 CO -0.14 0.21 -0.03 -0.08 0.37 0.00 0.00 175.52 175.85 1nm3 h GLU 107 N 1.13 -0.07 -2.00 6.66 4.22 0.63 -2.95 114.58 122.20 1nm3 h GLU 107 Ca 0.36 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.80 1nm3 h GLU 107 Cb -0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1nm3 h GLU 107 CO -0.12 0.21 0.00 0.41 -2.18 0.00 0.00 179.01 177.33 1nm3 n GLY 108 N -0.37 0.35 2.62 1.92 0.00 0.44 -4.67 105.19 105.47 1nm3 n GLY 108 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1nm3 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nm3 n GLY 110 N 1.70 0.50 1.79 -0.02 0.00 -1.12 -4.80 105.19 103.23 1nm3 n GLY 110 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1nm3 n GLY 110 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nm3 n LEU 112 N 2.33 -5.74 -4.30 0.99 7.94 -1.14 -5.08 117.00 112.00 1nm3 n LEU 112 Ca 0.18 2.89 -0.17 0.00 -1.11 0.00 0.00 56.01 57.80 1nm3 n LEU 112 Cb 0.56 -2.81 -0.10 0.00 0.53 0.00 0.00 43.42 41.60 1nm3 n LEU 112 CO 0.04 -1.16 -0.43 -0.69 -1.11 0.00 0.00 177.39 174.04 1nm3 s VAL 113 N -1.02 1.47 0.11 1.96 1.01 0.06 -4.96 120.40 119.03 1nm3 s VAL 113 Ca 0.00 -2.10 -0.17 0.00 0.00 0.00 0.00 61.98 59.71 1nm3 s VAL 113 Cb 0.00 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 1nm3 s VAL 113 CO 0.00 -0.64 0.56 -0.83 0.00 0.00 0.00 175.10 174.19 1nm3 s GLY 114 N -3.17 2.57 -0.26 4.51 0.00 -1.26 -0.64 107.32 109.06 1nm3 s GLY 114 Ca 0.19 -0.05 0.23 0.00 0.00 0.00 0.00 44.72 45.09 1nm3 s GLY 114 CO 0.04 0.31 1.13 0.28 0.00 0.00 0.00 173.10 174.86 1nm3 n LYS 115 N 1.27 1.70 0.33 2.90 5.02 -0.31 -4.90 118.16 124.17 1nm3 n LYS 115 Ca -0.08 -3.38 0.21 0.00 -2.02 0.00 0.00 58.31 53.03 1nm3 n LYS 115 Cb 0.51 -1.50 1.12 0.00 -0.02 0.00 0.00 35.03 35.15 1nm3 n LYS 115 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nm3 h GLU 116 N 2.52 0.00 0.00 1.97 3.07 -1.91 -1.48 114.58 118.74 1nm3 h GLU 116 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1nm3 h GLU 116 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1nm3 h GLU 116 CO 0.16 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.37 1nm3 n ASP 117 N -3.25 0.00 0.00 1.42 5.75 -1.26 -1.65 116.55 117.56 1nm3 n ASP 117 Ca -0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1nm3 n ASP 117 Cb 0.10 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1nm3 n ASP 117 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nm3 n LEU 118 N -1.25 0.07 0.00 -2.12 4.32 -0.58 -5.00 117.00 112.44 1nm3 n LEU 118 Ca 0.09 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 1nm3 n LEU 118 Cb 0.13 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1nm3 n LEU 118 CO 0.13 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 176.93 1nm3 n GLY 119 N 0.93 0.56 0.85 -0.72 0.00 -0.66 -4.95 105.19 101.20 1nm3 n GLY 119 Ca 0.00 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1nm3 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nm3 n PHE 120 N -3.31 0.00 -4.54 1.61 0.99 -1.09 -4.99 117.46 106.12 1nm3 n PHE 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1nm3 n PHE 120 Cb 0.28 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.76 1nm3 n PHE 120 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nm3 n GLY 121 N 1.34 1.60 3.72 1.37 0.00 -1.26 -4.40 105.19 107.56 1nm3 n GLY 121 Ca 0.14 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1nm3 n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nm3 s LYS 122 N 0.00 4.51 0.30 1.61 3.01 -1.26 -1.17 119.74 126.75 1nm3 s LYS 122 Ca 0.00 1.14 0.07 0.00 -1.01 0.00 0.00 55.97 56.17 1nm3 s LYS 122 Cb 0.00 -3.42 -0.02 0.00 -1.01 0.00 0.00 37.83 33.37 1nm3 s LYS 122 CO 0.00 0.10 0.24 0.54 0.51 0.00 0.00 175.35 176.74 1nm3 n ARG 123 N 3.48 0.39 -3.34 1.68 5.12 0.19 -4.95 116.66 119.23 1nm3 n ARG 123 Ca 0.01 -3.00 -0.32 0.00 -1.93 0.00 0.00 57.85 52.61 1nm3 n ARG 123 Cb 0.51 2.37 -0.05 0.00 -1.16 0.00 0.00 32.46 34.12 1nm3 n ARG 123 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nm3 s SER 124 N -3.10 6.65 0.15 0.55 0.15 -1.26 -0.76 113.70 116.08 1nm3 s SER 124 Ca 0.34 1.00 -0.16 0.00 0.70 0.00 0.00 55.95 57.83 1nm3 s SER 124 Cb 0.02 -2.26 -0.07 0.00 -1.71 0.00 0.00 66.02 62.00 1nm3 s SER 124 CO 0.24 -0.11 0.59 0.86 1.20 0.00 0.00 173.24 176.02 1nm3 s TRP 125 N -1.87 3.65 0.06 3.44 -0.11 -1.26 -3.65 118.94 119.19 1nm3 s TRP 125 Ca 0.49 1.17 -0.31 0.00 1.22 0.00 0.00 56.10 58.67 1nm3 s TRP 125 Cb -0.11 -2.45 -0.07 0.00 -1.50 0.00 0.00 33.47 29.34 1nm3 s TRP 125 CO 0.21 0.44 1.54 0.50 -4.62 0.00 0.00 176.95 175.01 1nm3 s ARG 126 N -1.82 4.24 -0.02 5.86 3.52 -1.26 -4.70 118.95 124.78 1nm3 s ARG 126 Ca 0.37 2.19 -0.28 0.00 -0.13 0.00 0.00 55.73 57.88 1nm3 s ARG 126 Cb -0.16 -3.53 0.10 0.00 -1.56 0.00 0.00 34.95 29.80 1nm3 s ARG 126 CO 0.20 -0.65 0.83 1.52 -0.81 0.00 0.00 175.30 176.39 1nm3 s TYR 127 N 2.32 -0.43 0.33 5.12 -0.85 -1.22 -2.40 117.35 120.22 1nm3 s TYR 127 Ca 0.69 0.45 0.02 0.00 -0.52 0.00 0.00 57.07 57.71 1nm3 s TYR 127 Cb -0.37 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.47 1nm3 s TYR 127 CO 0.30 -0.56 0.07 -1.13 -1.52 0.00 0.00 175.55 172.71 1nm3 n SER 128 N 0.10 1.79 -3.84 -0.18 3.41 -0.86 -0.37 113.62 113.67 1nm3 n SER 128 Ca -0.12 -2.66 -0.20 0.00 -0.26 0.00 0.00 58.87 55.63 1nm3 n SER 128 Cb 0.61 0.61 -0.17 0.00 -0.26 0.00 0.00 64.21 65.01 1nm3 n SER 128 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1nm3 s LEU 130 N 0.00 1.09 -0.15 1.04 2.96 -0.74 -0.98 118.68 121.90 1nm3 s LEU 130 Ca 0.11 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1nm3 s LEU 130 Cb 0.01 -0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.34 1nm3 s LEU 130 CO 0.07 -0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.11 1nm3 s VAL 131 N 1.21 1.93 -0.29 1.68 1.01 0.23 -0.77 120.40 125.40 1nm3 s VAL 131 Ca -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1nm3 s VAL 131 Cb -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1nm3 s VAL 131 CO -0.02 0.52 0.03 -0.54 0.00 0.00 0.00 175.10 175.09 1nm3 s LYS 132 N 1.02 2.80 -1.49 2.72 1.02 -0.75 -0.04 119.74 125.03 1nm3 s LYS 132 Ca -0.03 -1.03 -0.08 0.00 0.02 0.00 0.00 55.97 54.85 1nm3 s LYS 132 Cb -0.15 -3.23 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 1nm3 s LYS 132 CO -0.05 -0.50 0.74 -1.71 -0.92 0.00 0.00 175.35 172.91 1nm3 n ASN 133 N 4.75 -2.59 0.00 2.83 5.15 -0.34 -1.37 115.26 123.69 1nm3 n ASN 133 Ca -0.14 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 1nm3 n ASN 133 Cb 0.46 -3.49 0.00 0.00 -0.53 0.00 0.00 39.78 36.22 1nm3 n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nm3 n GLY 134 N -1.68 2.08 3.47 8.20 0.00 -1.22 -4.65 105.19 111.38 1nm3 n GLY 134 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1nm3 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nm3 s VAL 135 N -3.05 4.60 0.00 1.61 1.01 -0.47 -0.13 120.40 123.98 1nm3 s VAL 135 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 61.98 61.46 1nm3 s VAL 135 Cb 0.00 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 1nm3 s VAL 135 CO 0.00 0.22 1.93 0.52 0.00 0.00 0.00 175.10 177.77 1nm3 n VAL 136 N 4.97 0.67 -0.12 2.92 0.31 -0.21 -1.80 118.33 125.08 1nm3 n VAL 136 Ca -0.15 -0.12 -0.22 0.00 -0.01 0.00 0.00 64.34 63.84 1nm3 n VAL 136 Cb 0.51 -2.15 -0.09 0.00 -0.91 0.00 0.00 33.84 31.20 1nm3 n VAL 136 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1nm3 n GLU 137 N 7.06 0.56 -2.22 5.55 2.13 0.05 0.13 120.64 133.90 1nm3 n GLU 137 Ca 0.21 0.39 -0.02 0.00 0.66 0.00 0.00 57.16 58.39 1nm3 n GLU 137 Cb 0.37 -1.59 -0.01 0.00 0.27 0.00 0.00 31.44 30.48 1nm3 n GLU 137 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1nm3 n LYS 138 N -4.37 0.77 -3.07 5.31 3.00 -1.17 -4.54 118.16 114.08 1nm3 n LYS 138 Ca -0.38 -0.31 0.02 0.00 -0.00 0.00 0.00 58.31 57.64 1nm3 n LYS 138 Cb 0.71 0.18 -0.00 0.00 0.00 0.00 0.00 35.03 35.92 1nm3 n LYS 138 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1nm3 s PHE 140 N -1.74 -1.29 -0.23 5.64 0.40 -0.15 -1.80 117.98 118.81 1nm3 s PHE 140 Ca 0.02 0.28 -0.21 0.00 -0.60 0.00 0.00 56.93 56.42 1nm3 s PHE 140 Cb 0.00 0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.75 1nm3 s PHE 140 CO 0.02 -0.86 0.67 0.42 0.70 0.00 0.00 175.22 176.17 1nm3 s ILE 141 N 2.04 4.97 0.38 0.64 1.01 -1.26 -2.03 121.20 126.94 1nm3 s ILE 141 Ca 0.16 1.25 -0.28 0.00 0.00 0.00 0.00 60.65 61.78 1nm3 s ILE 141 Cb -0.02 -3.98 -0.11 0.00 0.01 0.00 0.00 42.46 38.36 1nm3 s ILE 141 CO -0.12 0.04 1.49 -0.70 0.00 0.00 0.00 174.94 175.65 1nm3 s GLU 142 N 2.33 4.08 0.77 2.79 2.56 -1.01 -4.94 118.70 125.28 1nm3 s GLU 142 Ca 0.29 2.58 -0.15 0.00 0.00 0.00 0.00 54.97 57.70 1nm3 s GLU 142 Cb -0.16 -2.95 0.05 0.00 2.00 0.00 0.00 34.13 33.07 1nm3 s GLU 142 CO 0.09 -0.56 1.15 -0.35 -0.56 0.00 0.00 175.26 175.03 1nm3 n PRO 143 N 0.42 0.39 -2.14 4.30 -0.04 -1.26 -4.86 135.00 131.80 1nm3 n PRO 143 Ca 0.01 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 1nm3 n PRO 143 Cb 0.39 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1nm3 n PRO 143 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1nm3 n ASN 144 N -2.66 4.40 -4.49 3.54 5.15 -1.26 -4.86 115.26 115.08 1nm3 n ASN 144 Ca 0.14 -2.89 -0.26 0.00 -0.60 0.00 0.00 54.58 50.97 1nm3 n ASN 144 Cb 0.50 -1.68 -0.10 0.00 -0.53 0.00 0.00 39.78 37.96 1nm3 n ASN 144 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1nm3 s GLU 145 N 3.41 1.76 1.13 1.20 2.02 -1.26 -5.13 118.70 121.83 1nm3 s GLU 145 Ca 0.49 -1.54 -0.13 0.00 0.02 0.00 0.00 54.97 53.82 1nm3 s GLU 145 Cb 0.09 -1.92 0.26 0.00 0.10 0.00 0.00 34.13 32.66 1nm3 s GLU 145 CO -0.01 0.38 1.05 -1.25 0.02 0.00 0.00 175.26 175.44 1nm3 s PRO 146 N -3.07 -0.60 4.84 0.39 0.04 -1.26 -4.63 135.00 130.71 1nm3 s PRO 146 Ca 0.26 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1nm3 s PRO 146 Cb -0.07 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1nm3 s PRO 146 CO 0.14 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 174.12 1nm3 n GLY 147 N 0.14 0.96 2.51 0.56 0.00 -1.26 -4.35 105.19 103.76 1nm3 n GLY 147 Ca 0.03 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1nm3 n GLY 147 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nm3 n ASP 148 N 3.92 1.41 -4.73 1.61 2.03 -1.26 -5.11 116.55 114.42 1nm3 n ASP 148 Ca 0.00 -2.87 -0.42 0.00 0.52 0.00 0.00 54.79 52.02 1nm3 n ASP 148 Cb 0.00 -0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 39.73 1nm3 n ASP 148 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1nm3 n PRO 149 N 1.96 2.62 -3.29 -0.67 -0.04 -1.26 -5.00 135.00 129.32 1nm3 n PRO 149 Ca 0.25 0.93 -0.10 0.00 -0.04 0.00 0.00 63.50 64.55 1nm3 n PRO 149 Cb 0.44 -2.71 -0.05 0.00 -0.04 0.00 0.00 33.50 31.14 1nm3 n PRO 149 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1nm3 s PHE 150 N 0.22 -0.84 0.00 0.54 5.99 -1.26 -4.93 117.98 117.69 1nm3 s PHE 150 Ca 0.67 -0.44 0.00 0.00 0.00 0.00 0.00 56.93 57.16 1nm3 s PHE 150 Cb -0.52 -0.13 0.00 0.00 0.00 0.00 0.00 43.02 42.37 1nm3 s PHE 150 CO 0.45 -1.05 0.60 0.36 -0.00 0.00 0.00 175.22 175.58 1nm3 n LYS 151 N 4.26 0.00 0.00 10.12 2.85 -1.26 -4.95 118.16 129.18 1nm3 n LYS 151 Ca 0.12 -0.27 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 1nm3 n LYS 151 Cb 0.50 -0.14 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 1nm3 n LYS 151 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1nm3 n VAL 152 N 0.00 0.00 1.53 0.58 0.31 -1.26 -4.90 118.33 114.59 1nm3 n VAL 152 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1nm3 n VAL 152 Cb 0.55 0.00 0.55 0.00 -0.91 0.00 0.00 33.84 34.03 1nm3 n VAL 152 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1nm3 n SER 153 N -0.45 1.40 -4.53 4.52 3.41 -1.26 -4.81 113.62 111.90 1nm3 n SER 153 Ca 0.00 -1.47 -0.30 0.00 -0.26 0.00 0.00 58.87 56.84 1nm3 n SER 153 Cb 0.00 -0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.15 1nm3 n SER 153 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1nm3 n ASP 154 N 0.10 -0.97 0.01 4.04 5.68 -1.26 -4.62 116.55 119.53 1nm3 n ASP 154 Ca 0.19 0.13 -0.07 0.00 -0.50 0.00 0.00 54.79 54.54 1nm3 n ASP 154 Cb 0.34 -1.32 0.10 0.00 -1.14 0.00 0.00 41.12 39.09 1nm3 n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nm3 h ALA 155 N -2.21 0.81 0.64 2.12 0.00 -1.89 -3.28 119.26 115.45 1nm3 h ALA 155 Ca -0.51 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 1nm3 h ALA 155 Cb 1.30 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1nm3 h ALA 155 CO 0.43 0.67 -0.31 -0.44 0.00 0.00 0.00 179.25 179.60 1nm3 h ASP 156 N 0.40 -0.73 0.00 0.00 3.32 -1.92 0.86 116.42 118.35 1nm3 h ASP 156 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1nm3 h ASP 156 Cb 0.99 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1nm3 h ASP 156 CO 0.09 -0.49 0.00 0.41 -1.72 0.00 0.00 179.24 177.53 1nm3 n THR 157 N -5.44 0.00 0.00 0.35 -1.04 -1.24 -0.32 114.28 106.59 1nm3 n THR 157 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1nm3 n THR 157 Cb 0.36 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1nm3 n THR 157 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1nm3 n LEU 159 N 0.25 0.00 0.28 -4.42 7.94 0.29 -2.21 117.00 119.13 1nm3 n LEU 159 Ca 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.04 1nm3 n LEU 159 Cb 0.00 0.00 0.86 0.00 0.53 0.00 0.00 43.42 44.81 1nm3 n LEU 159 CO 0.00 0.00 1.12 0.50 -1.11 0.00 0.00 177.39 177.90 1nm3 h LYS 160 N 0.00 0.00 0.18 1.96 3.64 -0.93 0.44 116.57 121.87 1nm3 h LYS 160 Ca 0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1nm3 h LYS 160 Cb 0.00 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1nm3 h LYS 160 CO 0.00 0.00 -1.21 -0.92 -2.27 0.00 0.00 179.45 175.05 1nm3 h TYR 161 N 0.00 0.70 -0.10 1.91 3.20 -1.67 -2.67 116.97 118.35 1nm3 h TYR 161 Ca 0.01 -0.51 -0.19 0.00 3.14 0.00 0.00 58.73 61.18 1nm3 h TYR 161 Cb 0.06 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.31 1nm3 h TYR 161 CO 0.00 1.47 -0.68 1.25 -1.64 0.00 0.00 178.16 178.56 1nm3 h LEU 162 N -0.14 0.78 -6.05 2.82 5.85 -1.63 -3.39 115.31 113.55 1nm3 h LEU 162 Ca -0.22 -0.66 -0.57 0.00 0.84 0.00 0.00 57.88 57.27 1nm3 h LEU 162 Cb 1.88 -0.23 -0.39 0.00 0.37 0.00 0.00 40.66 42.29 1nm3 h LEU 162 CO 0.19 1.31 -1.03 0.00 -0.34 0.00 0.00 178.44 178.57 1nm3 n ALA 163 N -2.59 2.67 0.25 1.25 0.00 0.15 -4.94 120.51 117.31 1nm3 n ALA 163 Ca -0.08 -3.57 0.18 0.00 0.00 0.00 0.00 53.44 49.96 1nm3 n ALA 163 Cb 0.70 -0.82 0.90 0.00 0.00 0.00 0.00 19.45 20.23 1nm3 n ALA 163 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1nm3 h PRO 164 N 4.12 0.00 -0.84 0.00 0.13 -1.61 0.20 132.00 134.01 1nm3 h PRO 164 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1nm3 h PRO 164 Cb 0.85 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.94 1nm3 h PRO 164 CO 0.51 0.00 0.50 1.96 -0.23 0.00 0.00 178.00 180.74 1nm3 h GLN 165 N 0.00 1.14 -6.35 0.86 7.50 -1.92 -3.40 115.11 112.94 1nm3 h GLN 165 Ca 0.05 -0.10 -0.59 0.00 0.50 0.00 0.00 58.65 58.51 1nm3 h GLN 165 Cb 0.39 -0.24 0.03 0.00 0.05 0.00 0.00 27.48 27.71 1nm3 h GLN 165 CO -0.00 0.80 1.07 1.58 -1.50 0.00 0.00 178.83 180.78 1nm3 n HIS 166 N -4.44 2.38 -2.56 2.96 -0.00 0.06 -4.89 115.22 108.72 1nm3 n HIS 166 Ca 0.09 -0.03 -0.40 0.00 0.46 0.00 0.00 57.72 57.84 1nm3 n HIS 166 Cb 0.06 -2.67 -0.05 0.00 -0.12 0.00 0.00 29.99 27.21 1nm3 n HIS 166 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1nm3 s GLN 167 N 3.45 4.71 -0.09 1.57 0.74 -1.26 -4.95 119.66 123.84 1nm3 s GLN 167 Ca 0.89 1.70 -0.29 0.00 0.05 0.00 0.00 55.36 57.71 1nm3 s GLN 167 Cb -0.63 -3.22 -0.06 0.00 1.10 0.00 0.00 33.01 30.20 1nm3 s GLN 167 CO 0.47 0.31 1.80 0.08 -0.55 0.00 0.00 175.29 177.39 1nm3 s VAL 168 N -1.14 3.38 0.30 1.34 1.01 -1.26 -4.98 120.40 119.04 1nm3 s VAL 168 Ca 0.43 0.45 -0.28 0.00 0.00 0.00 0.00 61.98 62.58 1nm3 s VAL 168 Cb -0.30 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 1nm3 s VAL 168 CO 0.38 -0.09 1.06 -1.58 0.00 0.00 0.00 175.10 174.87 1nm3 s GLN 169 N 4.58 4.59 0.56 2.72 0.74 -1.26 -5.00 119.66 126.59 1nm3 s GLN 169 Ca 0.80 1.68 -0.20 0.00 0.05 0.00 0.00 55.36 57.70 1nm3 s GLN 169 Cb -0.34 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1nm3 s GLN 169 CO 0.33 0.21 1.22 -1.21 -0.55 0.00 0.00 175.29 175.29 1nm3 s GLU 170 N -1.61 3.13 0.20 1.67 0.41 -1.26 -4.98 118.70 116.26 1nm3 s GLU 170 Ca 0.46 1.88 -0.30 0.00 -0.41 0.00 0.00 54.97 56.61 1nm3 s GLU 170 Cb -0.29 -2.06 -0.08 0.00 -1.78 0.00 0.00 34.13 29.93 1nm3 s GLU 170 CO 0.36 -1.09 1.14 -1.12 -0.49 0.00 0.00 175.26 174.06 1nm3 s SER 171 N -1.46 7.20 -0.14 -0.19 0.01 -1.26 -4.74 113.70 113.12 1nm3 s SER 171 Ca 0.74 2.18 -0.01 0.00 1.31 0.00 0.00 55.95 60.17 1nm3 s SER 171 Cb -0.32 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.34 1nm3 s SER 171 CO 0.35 -0.26 -0.03 -0.63 0.41 0.00 0.00 173.24 173.08 1nm3 s ILE 172 N -0.35 0.84 0.05 1.44 1.01 -1.26 0.25 121.20 123.17 1nm3 s ILE 172 Ca 0.50 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.84 1nm3 s ILE 172 Cb -0.31 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1nm3 s ILE 172 CO 0.37 0.14 -0.24 -0.94 0.00 0.00 0.00 174.94 174.27 1nm3 s SER 173 N 1.76 3.35 -0.04 3.58 1.04 -0.84 0.16 113.70 122.71 1nm3 s SER 173 Ca 0.02 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 1nm3 s SER 173 Cb -0.14 -0.37 0.03 0.00 0.10 0.00 0.00 66.02 65.63 1nm3 s SER 173 CO -0.07 0.25 0.04 -0.51 0.98 0.00 0.00 173.24 173.93 1nm3 s ILE 174 N -0.86 -0.01 -0.11 -1.02 2.07 0.88 -1.77 121.20 120.39 1nm3 s ILE 174 Ca 0.13 0.33 -0.26 0.00 -1.41 0.00 0.00 60.65 59.44 1nm3 s ILE 174 Cb -0.10 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 1nm3 s ILE 174 CO 0.03 0.18 0.84 -0.36 -1.91 0.00 0.00 174.94 173.72 1nm3 s PHE 175 N 1.94 3.51 0.03 3.50 0.40 0.21 -0.98 117.98 126.59 1nm3 s PHE 175 Ca 0.02 1.36 -0.00 0.00 -0.60 0.00 0.00 56.93 57.72 1nm3 s PHE 175 Cb -0.12 -2.99 -0.02 0.00 0.51 0.00 0.00 43.02 40.39 1nm3 s PHE 175 CO -0.03 -0.11 -0.03 0.95 0.70 0.00 0.00 175.22 176.70 1nm3 s THR 176 N 1.57 0.14 -0.07 0.64 -4.23 -0.95 -0.97 115.64 111.76 1nm3 s THR 176 Ca 0.41 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1nm3 s THR 176 Cb -0.18 -0.56 -0.03 0.00 1.34 0.00 0.00 72.50 73.07 1nm3 s THR 176 CO 0.17 -0.62 0.02 -0.75 -0.54 0.00 0.00 174.62 172.91 1nm3 s LYS 177 N -2.04 3.02 0.28 3.99 2.20 -1.26 -0.82 119.74 125.11 1nm3 s LYS 177 Ca -0.11 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1nm3 s LYS 177 Cb -0.06 -2.83 -0.14 0.00 -1.51 0.00 0.00 37.83 33.29 1nm3 s LYS 177 CO -0.03 0.70 1.15 -2.30 -0.36 0.00 0.00 175.35 174.51 1nm3 n PRO 178 N 1.97 1.60 0.00 4.03 -0.02 -1.26 -2.82 135.00 138.50 1nm3 n PRO 178 Ca -0.18 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1nm3 n PRO 178 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1nm3 n PRO 178 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nm3 n GLY 179 N 1.37 1.93 0.22 -1.23 0.00 -1.26 -4.89 105.19 101.33 1nm3 n GLY 179 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1nm3 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nm3 n PRO 181 N 0.57 0.00 0.06 0.00 -0.02 -1.26 -1.03 135.00 133.32 1nm3 n PRO 181 Ca 0.00 0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.73 1nm3 n PRO 181 Cb 0.00 -0.52 0.13 0.00 -0.02 0.00 0.00 33.50 33.09 1nm3 n PRO 181 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1nm3 n PHE 182 N -0.62 0.16 0.12 6.00 -0.00 -1.26 -1.92 117.46 119.94 1nm3 n PHE 182 Ca 0.00 0.08 -0.13 0.00 -0.00 0.00 0.00 57.45 57.40 1nm3 n PHE 182 Cb 0.00 -0.45 -0.08 0.00 -0.00 0.00 0.00 39.48 38.95 1nm3 n PHE 182 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1nm3 h ALA 184 N -0.08 1.56 0.00 0.00 0.00 -1.43 0.47 119.26 119.79 1nm3 h ALA 184 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nm3 h ALA 184 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nm3 h ALA 184 CO 0.06 -0.33 0.00 1.17 0.00 0.00 0.00 179.25 180.14 1nm3 n LYS 185 N -3.33 0.21 -0.08 0.00 4.81 -0.92 -2.59 118.16 116.26 1nm3 n LYS 185 Ca 0.01 0.34 -0.11 0.00 -0.87 0.00 0.00 58.31 57.68 1nm3 n LYS 185 Cb 0.36 -1.83 -0.09 0.00 0.02 0.00 0.00 35.03 33.49 1nm3 n LYS 185 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nm3 n ALA 186 N -1.76 1.63 -0.40 3.14 0.00 0.15 -4.14 120.51 119.13 1nm3 n ALA 186 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1nm3 n ALA 186 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1nm3 n ALA 186 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nm3 n LYS 187 N -2.89 0.00 0.22 0.00 5.02 -0.41 -1.45 118.16 118.65 1nm3 n LYS 187 Ca -0.29 0.40 0.15 0.00 -2.02 0.00 0.00 58.31 56.55 1nm3 n LYS 187 Cb 0.86 -1.30 0.82 0.00 -0.02 0.00 0.00 35.03 35.39 1nm3 n LYS 187 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1nm3 h GLN 188 N 0.00 0.00 -0.49 1.97 7.50 -1.78 0.32 115.11 122.63 1nm3 h GLN 188 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1nm3 h GLN 188 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 1nm3 h GLN 188 CO 0.00 0.00 0.12 1.25 -1.50 0.00 0.00 178.83 178.70 1nm3 h LEU 189 N 0.00 0.68 0.17 1.46 5.85 -1.68 0.64 115.31 122.43 1nm3 h LEU 189 Ca 0.06 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1nm3 h LEU 189 Cb 0.32 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1nm3 h LEU 189 CO -0.00 0.67 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.61 1nm3 h LEU 190 N 0.71 -0.20 -0.31 2.25 3.38 0.77 0.68 115.31 122.60 1nm3 h LEU 190 Ca 0.16 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1nm3 h LEU 190 Cb 0.26 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1nm3 h LEU 190 CO -0.00 0.22 -0.24 0.45 0.09 0.00 0.00 178.44 178.95 1nm3 h HIS 191 N -0.65 -0.64 -0.94 1.13 3.86 -0.81 0.72 115.15 117.82 1nm3 h HIS 191 Ca -0.02 0.04 0.12 0.00 -1.16 0.00 0.00 60.37 59.35 1nm3 h HIS 191 Cb 0.48 0.33 -0.08 0.00 1.06 0.00 0.00 27.41 29.20 1nm3 h HIS 191 CO 0.05 -0.32 0.60 -0.44 0.86 0.00 0.00 177.93 178.68 1nm3 h ASP 192 N -0.22 0.82 0.45 2.45 5.19 0.31 0.94 116.42 126.37 1nm3 h ASP 192 Ca 0.16 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1nm3 h ASP 192 Cb 0.46 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1nm3 h ASP 192 CO -0.43 0.44 0.00 0.29 -3.12 0.00 0.00 179.24 176.42 1nm3 n LYS 193 N -4.58 0.48 -3.32 3.56 4.76 0.10 -4.92 118.16 114.24 1nm3 n LYS 193 Ca 0.17 0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.47 1nm3 n LYS 193 Cb 0.37 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.15 1nm3 n LYS 193 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nm3 n GLY 194 N 1.08 -0.59 3.12 0.72 0.00 0.33 -5.03 105.19 104.82 1nm3 n GLY 194 Ca 0.15 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 1nm3 n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nm3 s LEU 195 N -5.92 1.97 0.47 0.99 1.02 -0.76 -5.01 118.68 111.45 1nm3 s LEU 195 Ca 0.15 -0.30 -0.15 0.00 0.02 0.00 0.00 54.13 53.86 1nm3 s LEU 195 Cb -0.02 -0.84 -0.07 0.00 0.02 0.00 0.00 46.19 45.28 1nm3 s LEU 195 CO 0.71 0.17 0.91 -0.55 0.02 0.00 0.00 176.35 177.61 1nm3 s SER 196 N -0.19 6.59 0.11 2.29 0.15 -1.26 -4.40 113.70 116.99 1nm3 s SER 196 Ca 0.02 1.42 -0.25 0.00 0.70 0.00 0.00 55.95 57.84 1nm3 s SER 196 Cb -0.08 -2.45 0.08 0.00 -1.71 0.00 0.00 66.02 61.86 1nm3 s SER 196 CO 0.00 -0.52 0.67 0.72 1.20 0.00 0.00 173.24 175.32 1nm3 s PHE 197 N -2.53 -0.50 -0.26 3.44 -0.12 -1.26 -4.38 117.98 112.37 1nm3 s PHE 197 Ca 0.56 0.35 -0.06 0.00 -0.05 0.00 0.00 56.93 57.74 1nm3 s PHE 197 Cb -0.10 0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1nm3 s PHE 197 CO 0.31 -0.76 0.03 -2.00 -0.05 0.00 0.00 175.22 172.75 1nm3 s GLU 198 N -3.44 3.25 -0.46 1.99 2.12 0.43 -4.98 118.70 117.62 1nm3 s GLU 198 Ca 0.01 -0.73 -0.17 0.00 0.36 0.00 0.00 54.97 54.43 1nm3 s GLU 198 Cb -0.01 -3.23 0.05 0.00 0.26 0.00 0.00 34.13 31.20 1nm3 s GLU 198 CO -0.11 -0.33 0.48 -2.00 -0.54 0.00 0.00 175.26 172.77 1nm3 s GLU 199 N 1.50 3.07 -0.33 4.30 2.12 -1.26 -0.08 118.70 128.02 1nm3 s GLU 199 Ca 0.04 -0.96 -0.25 0.00 0.36 0.00 0.00 54.97 54.16 1nm3 s GLU 199 Cb -0.16 -4.05 0.01 0.00 0.26 0.00 0.00 34.13 30.19 1nm3 s GLU 199 CO 0.00 -1.01 0.87 0.42 -0.54 0.00 0.00 175.26 175.01 1nm3 s ILE 200 N 2.15 4.69 -0.08 -3.70 1.09 -0.15 -4.92 121.20 120.27 1nm3 s ILE 200 Ca 0.11 1.25 -0.16 0.00 -1.10 0.00 0.00 60.65 60.75 1nm3 s ILE 200 Cb -0.20 -4.25 -0.05 0.00 -1.06 0.00 0.00 42.46 36.91 1nm3 s ILE 200 CO 0.11 -0.38 0.41 -0.51 -0.10 0.00 0.00 174.94 174.47 1nm3 s ILE 201 N 3.22 5.16 -1.80 2.92 1.10 -1.26 -2.23 121.20 128.30 1nm3 s ILE 201 Ca 0.36 0.82 0.03 0.00 -0.51 0.00 0.00 60.65 61.34 1nm3 s ILE 201 Cb -0.13 -3.73 0.06 0.00 0.15 0.00 0.00 42.46 38.81 1nm3 s ILE 201 CO 0.15 0.43 0.73 0.18 -2.11 0.00 0.00 174.94 174.32 1nm3 n LEU 202 N 2.97 0.00 0.00 8.50 4.77 -0.00 -2.51 117.00 130.73 1nm3 n LEU 202 Ca -0.11 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1nm3 n LEU 202 Cb 0.52 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1nm3 n LEU 202 CO 0.40 -0.09 0.02 0.61 -1.33 0.00 0.00 177.39 177.01 1nm3 n GLY 203 N -0.92 -0.70 0.01 -0.72 0.00 -1.25 -4.37 105.19 97.25 1nm3 n GLY 203 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1nm3 n GLY 203 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1nm3 n HIS 204 N -0.09 0.00 0.10 1.61 1.44 -1.25 -4.63 115.22 112.41 1nm3 n HIS 204 Ca 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.66 1nm3 n HIS 204 Cb 0.00 -0.27 -0.02 0.00 0.12 0.00 0.00 29.99 29.81 1nm3 n HIS 204 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1nm3 h ASP 205 N 0.00 -0.27 -4.35 4.39 3.32 -1.80 -3.49 116.42 114.22 1nm3 h ASP 205 Ca 0.00 0.01 -0.42 0.00 0.02 0.00 0.00 57.03 56.64 1nm3 h ASP 205 Cb 0.69 0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.17 1nm3 h ASP 205 CO 0.00 0.11 -0.57 0.00 -1.72 0.00 0.00 179.24 177.06 1nm3 s ALA 206 N -3.43 2.05 0.00 3.45 0.00 -1.04 -5.02 121.76 117.76 1nm3 s ALA 206 Ca -0.05 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1nm3 s ALA 206 Cb 0.00 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1nm3 s ALA 206 CO 0.14 -0.46 0.00 0.25 0.00 0.00 0.00 175.76 175.70 1nm3 n THR 207 N -0.60 0.00 0.02 0.00 -2.24 -1.26 -3.79 114.28 106.40 1nm3 n THR 207 Ca -0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 1nm3 n THR 207 Cb 0.65 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 1nm3 n THR 207 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1nm3 n ILE 208 N 0.00 0.54 0.10 2.28 -0.00 -1.26 -4.36 119.36 116.66 1nm3 n ILE 208 Ca 0.00 -0.59 -0.09 0.00 -0.00 0.00 0.00 62.75 62.07 1nm3 n ILE 208 Cb 0.00 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.64 39.31 1nm3 n ILE 208 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1nm3 h VAL 209 N 0.00 0.00 -0.84 1.39 2.07 -1.98 -1.31 116.25 115.59 1nm3 h VAL 209 Ca -0.09 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.56 1nm3 h VAL 209 Cb 1.25 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.88 1nm3 h VAL 209 CO 0.01 0.00 -0.38 0.28 0.02 0.00 0.00 177.57 177.50 1nm3 h SER 210 N -0.46 -1.37 -0.42 0.57 0.02 -1.97 1.03 113.55 110.95 1nm3 h SER 210 Ca -0.02 0.28 0.09 0.00 -0.84 0.00 0.00 61.79 61.30 1nm3 h SER 210 Cb 0.43 0.70 -0.09 0.00 0.14 0.00 0.00 62.40 63.58 1nm3 h SER 210 CO -0.10 -0.29 -0.17 0.58 -1.14 0.00 0.00 176.83 175.70 1nm3 h VAL 211 N -0.07 0.46 -0.06 2.27 2.07 -1.69 1.44 116.25 120.67 1nm3 h VAL 211 Ca 0.29 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.74 1nm3 h VAL 211 Cb 0.57 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1nm3 h VAL 211 CO -0.87 0.00 -0.32 -0.09 0.02 0.00 0.00 177.57 176.32 1nm3 h ARG 212 N -0.08 0.10 0.12 1.57 2.43 0.66 0.44 114.38 119.62 1nm3 h ARG 212 Ca 0.21 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 59.07 1nm3 h ARG 212 Cb 0.40 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1nm3 h ARG 212 CO -0.48 0.42 -1.23 0.00 -1.51 0.00 0.00 179.97 177.17 1nm3 h ALA 213 N 1.59 0.11 0.00 2.80 0.00 0.30 -2.37 119.26 121.69 1nm3 h ALA 213 Ca 0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 54.91 53.97 1nm3 h ALA 213 Cb 0.61 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1nm3 h ALA 213 CO 0.04 0.95 -0.63 0.28 0.00 0.00 0.00 179.25 179.89 1nm3 h VAL 214 N 0.09 0.65 0.07 0.00 2.07 0.20 -3.42 116.25 115.91 1nm3 h VAL 214 Ca -0.13 -1.67 -0.25 0.00 0.82 0.00 0.00 66.70 65.46 1nm3 h VAL 214 Cb 1.95 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1nm3 h VAL 214 CO 0.20 0.22 -1.32 0.77 0.02 0.00 0.00 177.57 177.46 1nm3 h SER 215 N -1.00 0.24 0.00 0.57 4.64 -0.32 -3.49 113.55 114.20 1nm3 h SER 215 Ca -0.13 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 1nm3 h SER 215 Cb 0.82 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1nm3 h SER 215 CO -0.08 1.56 0.00 0.61 -0.87 0.00 0.00 176.83 178.05 1nm3 n GLY 216 N 1.67 3.10 3.41 -0.77 0.00 -0.82 -5.00 105.19 106.79 1nm3 n GLY 216 Ca -0.27 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1nm3 n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nm3 n ARG 217 N 0.00 0.23 -0.02 1.61 1.74 -1.26 -4.67 116.66 114.29 1nm3 n ARG 217 Ca 0.00 0.11 0.13 0.00 -0.77 0.00 0.00 57.85 57.32 1nm3 n ARG 217 Cb 0.00 -1.70 0.39 0.00 -1.02 0.00 0.00 32.46 30.13 1nm3 n ARG 217 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1nm3 n THR 218 N -2.37 0.05 -4.22 0.55 -2.24 -1.26 -3.89 114.28 100.90 1nm3 n THR 218 Ca 0.09 -0.34 -0.18 0.00 -2.27 0.00 0.00 64.05 61.35 1nm3 n THR 218 Cb 0.50 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 1nm3 n THR 218 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nm3 n THR 219 N 0.53 0.00 -4.06 4.28 -2.24 -1.26 -4.98 114.28 106.55 1nm3 n THR 219 Ca 0.18 -2.24 -0.23 0.00 -2.27 0.00 0.00 64.05 59.48 1nm3 n THR 219 Cb 0.42 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 1nm3 n THR 219 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1nm3 s VAL 220 N -3.20 2.83 0.05 2.28 -7.23 -1.26 -4.46 120.40 109.40 1nm3 s VAL 220 Ca 0.37 -1.67 -0.26 0.00 -1.81 0.00 0.00 61.98 58.61 1nm3 s VAL 220 Cb 0.01 -2.98 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1nm3 s VAL 220 CO 0.26 -0.13 0.83 -2.16 -0.31 0.00 0.00 175.10 173.59 1nm3 s PRO 221 N -3.88 4.54 -0.14 4.82 0.04 -1.26 -4.94 135.00 134.18 1nm3 s PRO 221 Ca 0.39 1.17 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 1nm3 s PRO 221 Cb -0.01 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1nm3 s PRO 221 CO 0.23 0.22 -0.00 -0.65 0.04 0.00 0.00 177.00 176.83 1nm3 s GLN 222 N 0.13 3.49 -0.05 4.56 -1.52 -0.15 -4.01 119.66 122.12 1nm3 s GLN 222 Ca 0.42 -0.45 0.02 0.00 -1.95 0.00 0.00 55.36 53.40 1nm3 s GLN 222 Cb -0.21 -2.93 0.01 0.00 -0.22 0.00 0.00 33.01 29.66 1nm3 s GLN 222 CO 0.25 0.41 -0.09 0.08 -0.25 0.00 0.00 175.29 175.68 1nm3 s VAL 223 N -0.08 0.89 -0.09 1.09 1.01 -1.14 0.67 120.40 122.75 1nm3 s VAL 223 Ca 0.03 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1nm3 s VAL 223 Cb -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1nm3 s VAL 223 CO 0.02 0.29 -0.21 -0.36 0.00 0.00 0.00 175.10 174.84 1nm3 s PHE 224 N 0.56 2.29 -0.22 5.22 0.40 -0.73 -0.76 117.98 124.74 1nm3 s PHE 224 Ca -0.10 -0.91 0.02 0.00 -0.60 0.00 0.00 56.93 55.34 1nm3 s PHE 224 Cb -0.13 -1.55 0.04 0.00 0.51 0.00 0.00 43.02 41.88 1nm3 s PHE 224 CO 0.02 -0.37 -0.16 0.42 0.70 0.00 0.00 175.22 175.83 1nm3 s ILE 225 N 0.39 2.13 -0.66 0.64 1.01 -0.88 -1.99 121.20 121.83 1nm3 s ILE 225 Ca -0.17 -1.24 -0.17 0.00 0.00 0.00 0.00 60.65 59.07 1nm3 s ILE 225 Cb -0.17 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1nm3 s ILE 225 CO 0.07 0.29 0.63 0.61 0.00 0.00 0.00 174.94 176.54 1nm3 n GLY 226 N 4.54 -0.70 4.63 6.18 0.00 0.69 -3.01 105.19 117.51 1nm3 n GLY 226 Ca -0.18 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1nm3 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nm3 n GLY 227 N -1.03 1.93 3.77 -0.02 0.00 -1.26 -4.93 105.19 103.65 1nm3 n GLY 227 Ca -0.21 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1nm3 n GLY 227 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nm3 s LYS 228 N 0.00 3.80 -0.24 1.61 2.20 -1.17 -4.98 119.74 120.97 1nm3 s LYS 228 Ca 0.00 2.31 -0.23 0.00 -0.36 0.00 0.00 55.97 57.69 1nm3 s LYS 228 Cb 0.00 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 1nm3 s LYS 228 CO 0.00 -0.69 0.74 -1.58 -0.36 0.00 0.00 175.35 173.47 1nm3 s HIS 229 N -1.23 3.31 0.00 4.03 5.65 -1.26 -2.07 115.29 123.72 1nm3 s HIS 229 Ca 0.59 1.02 0.00 0.00 0.25 0.00 0.00 55.06 56.92 1nm3 s HIS 229 Cb -0.41 -2.95 0.00 0.00 -1.18 0.00 0.00 32.58 28.03 1nm3 s HIS 229 CO 0.53 -0.34 0.02 -0.89 -0.65 0.00 0.00 174.74 173.40 1nm3 n ILE 230 N 5.15 0.00 0.00 0.89 2.08 0.06 -4.97 119.36 122.57 1nm3 n ILE 230 Ca 0.03 0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.41 1nm3 n ILE 230 Cb 0.48 -0.19 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 1nm3 n ILE 230 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1nm3 n GLY 231 N 2.50 -0.01 3.92 7.39 0.00 -1.15 -4.89 105.19 112.94 1nm3 n GLY 231 Ca 0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1nm3 n GLY 231 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nm3 s GLY 232 N 0.00 1.58 0.59 -0.02 0.00 -1.26 -2.88 107.32 105.34 1nm3 s GLY 232 Ca 0.00 -0.66 0.30 0.00 0.00 0.00 0.00 44.72 44.36 1nm3 s GLY 232 CO 0.00 -0.42 1.59 0.23 0.00 0.00 0.00 173.10 174.50 1nm3 h SER 233 N -0.04 0.00 1.36 1.64 0.87 -1.84 1.27 113.55 116.81 1nm3 h SER 233 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1nm3 h SER 233 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1nm3 h SER 233 CO 0.61 0.00 -0.24 -2.24 -0.53 0.00 0.00 176.83 174.42 1nm3 h ASP 234 N 0.00 0.00 0.29 6.23 2.03 -1.93 -3.15 116.42 119.89 1nm3 h ASP 234 Ca 0.42 -0.06 -0.33 0.00 -0.73 0.00 0.00 57.03 56.32 1nm3 h ASP 234 Cb 2.25 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.73 1nm3 h ASP 234 CO -0.00 0.03 -1.82 0.44 -1.03 0.00 0.00 179.24 176.86 1nm3 h ASP 235 N 0.00 0.32 -0.19 4.15 5.19 0.13 -3.30 116.42 122.72 1nm3 h ASP 235 Ca 0.00 -0.63 0.05 0.00 -0.62 0.00 0.00 57.03 55.83 1nm3 h ASP 235 Cb 0.80 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.15 1nm3 h ASP 235 CO 0.00 1.55 -0.17 0.25 -3.12 0.00 0.00 179.24 177.76 1nm3 h LEU 236 N 0.06 -0.53 -0.13 1.55 5.85 -1.46 -2.75 115.31 117.90 1nm3 h LEU 236 Ca -0.35 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1nm3 h LEU 236 Cb 2.03 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 43.29 1nm3 h LEU 236 CO 0.11 -0.21 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.43 1nm3 h GLU 237 N -0.18 -0.20 0.00 1.25 4.39 -1.68 -3.09 114.58 115.07 1nm3 h GLU 237 Ca 0.12 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1nm3 h GLU 237 Cb 0.36 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1nm3 h GLU 237 CO -0.30 -0.13 0.00 1.63 -1.16 0.00 0.00 179.01 179.05 1nm3 n LYS 238 N -3.83 0.00 0.00 2.33 5.02 -1.06 -5.14 118.16 115.49 1nm3 n LYS 238 Ca -0.02 0.52 0.08 0.00 -2.02 0.00 0.00 58.31 56.87 1nm3 n LYS 238 Cb 0.15 -0.92 0.45 0.00 -0.02 0.00 0.00 35.03 34.69 1nm3 n LYS 238 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54