#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 -1.87 -0.28 4.33 1.02 -1.26 -4.89 120.64 117.69 1nm3 n GLU 5 Ca 0.00 1.36 0.00 0.00 -0.02 0.00 0.00 57.16 58.50 1nm3 n GLU 5 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 -0.38 2.06 3.95 0.62 0.00 0.37 -4.96 105.19 106.84 1nm3 n GLY 6 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.14 3.28 0.23 1.61 1.02 -1.26 -4.78 119.74 119.71 1nm3 s LYS 7 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 1nm3 s LYS 7 Cb 0.00 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.41 1nm3 s LYS 7 CO 0.00 0.34 0.98 0.15 -0.92 0.00 0.00 175.35 175.89 1nm3 s LYS 8 N -4.00 4.79 0.55 1.68 1.02 -1.26 -0.90 119.74 121.61 1nm3 s LYS 8 Ca 0.36 1.55 -0.21 0.00 0.02 0.00 0.00 55.97 57.69 1nm3 s LYS 8 Cb -0.09 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 1nm3 s LYS 8 CO 0.29 0.40 1.28 0.54 -0.92 0.00 0.00 175.35 176.95 1nm3 s VAL 9 N -0.96 2.39 0.49 3.17 0.11 0.90 -4.91 120.40 121.58 1nm3 s VAL 9 Ca 0.43 0.28 -0.23 0.00 -2.93 0.00 0.00 61.98 59.52 1nm3 s VAL 9 Cb -0.27 -3.13 -0.07 0.00 -1.53 0.00 0.00 36.38 31.38 1nm3 s VAL 9 CO 0.33 -0.02 1.22 -2.65 -3.33 0.00 0.00 175.10 170.65 1nm3 n PRO 10 N -1.10 1.62 -2.81 1.54 -0.02 -1.26 -4.94 135.00 128.02 1nm3 n PRO 10 Ca 0.11 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 1nm3 n PRO 10 Cb 0.47 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 -2.49 3.40 0.03 -0.52 -1.52 -1.26 -4.85 119.66 112.45 1nm3 s GLN 11 Ca 0.67 -0.11 0.03 0.00 -1.95 0.00 0.00 55.36 54.00 1nm3 s GLN 11 Cb -0.47 -4.02 -0.02 0.00 -0.22 0.00 0.00 33.01 28.29 1nm3 s GLN 11 CO 0.53 -1.44 -0.09 0.08 -0.25 0.00 0.00 175.29 174.13 1nm3 s VAL 12 N 3.99 0.67 -0.26 1.09 1.01 -1.26 -5.00 120.40 120.64 1nm3 s VAL 12 Ca 0.33 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1nm3 s VAL 12 Cb -0.11 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1nm3 s VAL 12 CO 0.22 -0.10 -0.03 -0.89 0.00 0.00 0.00 175.10 174.29 1nm3 s THR 13 N -0.81 3.05 -0.11 3.92 2.01 -1.26 0.19 115.64 122.62 1nm3 s THR 13 Ca -0.03 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 60.76 1nm3 s THR 13 Cb -0.07 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1nm3 s THR 13 CO 0.00 0.15 0.55 -0.36 -0.69 0.00 0.00 174.62 174.27 1nm3 s PHE 14 N 1.34 3.51 -0.53 4.92 0.40 0.95 -4.90 117.98 123.68 1nm3 s PHE 14 Ca -0.00 0.99 -0.26 0.00 -0.60 0.00 0.00 56.93 57.06 1nm3 s PHE 14 Cb -0.17 -2.65 0.03 0.00 0.51 0.00 0.00 43.02 40.74 1nm3 s PHE 14 CO -0.03 0.11 1.05 1.03 0.70 0.00 0.00 175.22 178.08 1nm3 s ARG 15 N 0.81 3.49 0.43 0.44 3.00 -1.26 -1.09 118.95 124.76 1nm3 s ARG 15 Ca 0.29 0.11 0.06 0.00 0.00 0.00 0.00 55.73 56.20 1nm3 s ARG 15 Cb -0.16 -3.99 -0.06 0.00 0.00 0.00 0.00 34.95 30.74 1nm3 s ARG 15 CO 0.12 -1.49 0.09 0.95 0.00 0.00 0.00 175.30 174.98 1nm3 s THR 16 N 4.32 2.02 -0.30 0.02 -4.23 -0.77 -4.46 115.64 112.24 1nm3 s THR 16 Ca 0.38 -1.86 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1nm3 s THR 16 Cb -0.10 -2.89 0.09 0.00 1.34 0.00 0.00 72.50 70.94 1nm3 s THR 16 CO 0.24 0.00 0.01 -0.13 -0.54 0.00 0.00 174.62 174.20 1nm3 s ARG 17 N -3.82 1.57 -0.19 3.99 1.81 -1.26 -0.90 118.95 120.14 1nm3 s ARG 17 Ca 0.34 -1.55 -0.06 0.00 -1.72 0.00 0.00 55.73 52.75 1nm3 s ARG 17 Cb 0.06 -2.91 -0.03 0.00 -0.45 0.00 0.00 34.95 31.63 1nm3 s ARG 17 CO 0.18 -0.82 0.01 -0.65 -0.68 0.00 0.00 175.30 173.35 1nm3 s GLN 18 N 1.10 3.70 4.34 3.54 -0.21 -0.10 -4.92 119.66 127.11 1nm3 s GLN 18 Ca 0.04 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1nm3 s GLN 18 Cb -0.19 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.72 1nm3 s GLN 18 CO -0.09 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 1nm3 n GLY 19 N 4.05 1.22 2.12 3.09 0.00 -1.26 -1.65 105.19 112.77 1nm3 n GLY 19 Ca -0.17 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.57 3.91 -4.22 1.61 5.75 -1.26 -4.94 116.55 116.83 1nm3 n ASP 20 Ca 0.00 -3.54 -0.13 0.00 -0.01 0.00 0.00 54.79 51.11 1nm3 n ASP 20 Cb 0.00 -0.81 -0.10 0.00 -1.03 0.00 0.00 41.12 39.18 1nm3 n ASP 20 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1nm3 s LYS 21 N -3.23 0.98 0.17 0.11 -2.85 -0.66 -5.15 119.74 109.11 1nm3 s LYS 21 Ca 0.56 -1.42 -0.26 0.00 -1.00 0.00 0.00 55.97 53.85 1nm3 s LYS 21 Cb 0.47 -0.42 -0.08 0.00 -2.06 0.00 0.00 37.83 35.74 1nm3 s LYS 21 CO 0.11 0.01 0.81 -1.58 0.10 0.00 0.00 175.35 174.80 1nm3 s TRP 22 N -3.48 3.91 -0.05 1.78 0.52 -1.26 -0.92 118.94 119.43 1nm3 s TRP 22 Ca 0.16 1.68 -0.02 0.00 0.02 0.00 0.00 56.10 57.94 1nm3 s TRP 22 Cb 0.04 -2.82 0.03 0.00 -1.15 0.00 0.00 33.47 29.57 1nm3 s TRP 22 CO -0.01 0.47 0.08 0.08 0.02 0.00 0.00 176.95 177.59 1nm3 s VAL 23 N -1.01 -0.13 -0.19 4.03 1.01 -0.07 -4.85 120.40 119.19 1nm3 s VAL 23 Ca 0.37 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1nm3 s VAL 23 Cb -0.23 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1nm3 s VAL 23 CO 0.27 0.17 1.05 -1.81 0.00 0.00 0.00 175.10 174.78 1nm3 s ASP 24 N 2.18 7.13 -0.31 3.32 1.11 -1.26 -1.84 116.67 126.99 1nm3 s ASP 24 Ca 0.05 1.45 -0.07 0.00 0.18 0.00 0.00 52.55 54.16 1nm3 s ASP 24 Cb -0.12 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.35 1nm3 s ASP 24 CO -0.03 -0.61 0.09 -0.69 1.18 0.00 0.00 175.17 175.10 1nm3 s VAL 25 N 2.86 3.87 0.41 -1.27 1.01 -0.25 -4.92 120.40 122.11 1nm3 s VAL 25 Ca 0.46 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1nm3 s VAL 25 Cb -0.17 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1nm3 s VAL 25 CO 0.10 -0.04 0.75 0.42 0.00 0.00 0.00 175.10 176.34 1nm3 s THR 26 N 1.46 4.84 0.24 3.92 -4.23 -1.26 -0.03 115.64 120.57 1nm3 s THR 26 Ca 0.01 0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 1nm3 s THR 26 Cb -0.18 -3.76 0.24 0.00 1.34 0.00 0.00 72.50 70.14 1nm3 s THR 26 CO 0.03 -0.57 1.91 0.00 -0.54 0.00 0.00 174.62 175.44 1nm3 h THR 27 N 0.93 1.21 -0.29 3.99 1.03 -0.59 -2.32 112.91 116.87 1nm3 h THR 27 Ca -0.47 -0.43 -0.03 0.00 -0.01 0.00 0.00 66.41 65.47 1nm3 h THR 27 Cb 1.19 -0.15 -0.01 0.00 -1.07 0.00 0.00 68.15 68.11 1nm3 h THR 27 CO 0.64 0.23 0.06 0.77 -0.01 0.00 0.00 175.52 177.21 1nm3 h SER 28 N 1.25 0.45 -0.87 0.00 4.64 -1.91 -0.91 113.55 116.19 1nm3 h SER 28 Ca 0.36 -0.24 0.14 0.00 -0.47 0.00 0.00 61.79 61.58 1nm3 h SER 28 Cb -0.08 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 61.80 1nm3 h SER 28 CO -0.10 0.58 0.47 -0.08 -0.87 0.00 0.00 176.83 176.83 1nm3 h GLU 29 N 0.30 0.66 -0.08 4.77 4.81 -1.82 0.16 114.58 123.39 1nm3 h GLU 29 Ca 0.09 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1nm3 h GLU 29 Cb 0.31 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1nm3 h GLU 29 CO 0.00 0.44 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.22 1nm3 h LEU 30 N 0.68 0.51 0.00 1.64 3.38 -1.08 -3.41 115.31 117.04 1nm3 h LEU 30 Ca 0.47 -0.66 -0.37 0.00 0.09 0.00 0.00 57.88 57.41 1nm3 h LEU 30 Cb 0.64 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1nm3 h LEU 30 CO -0.34 1.09 -2.37 0.49 0.09 0.00 0.00 178.44 177.40 1nm3 n PHE 31 N -4.32 0.05 -1.63 1.13 3.01 -0.38 -4.86 117.46 110.46 1nm3 n PHE 31 Ca -0.08 0.02 -0.46 0.00 1.01 0.00 0.00 57.45 57.93 1nm3 n PHE 31 Cb 0.56 -1.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.00 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 -2.82 2.18 -3.53 4.37 8.00 0.54 -2.16 116.55 123.14 1nm3 n ASP 32 Ca -0.34 1.14 -0.25 0.00 0.71 0.00 0.00 54.79 56.06 1nm3 n ASP 32 Cb 1.14 -1.35 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 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 2.04 -3.44 -3.86 -2.24 3.02 -1.26 -4.93 115.26 104.58 1nm3 n ASN 33 Ca 0.13 -0.50 -0.11 0.00 -0.03 0.00 0.00 54.58 54.07 1nm3 n ASN 33 Cb 0.29 -2.85 -0.09 0.00 -0.61 0.00 0.00 39.78 36.52 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 -6.18 0.60 -0.34 3.52 1.02 -0.92 -4.95 119.74 112.48 1nm3 s LYS 34 Ca 0.46 -0.53 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 1nm3 s LYS 34 Cb -0.25 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 1nm3 s LYS 34 CO 0.57 -0.16 0.20 0.99 -0.92 0.00 0.00 175.35 176.03 1nm3 s THR 35 N -2.05 4.76 0.04 2.17 2.01 -1.26 -1.55 115.64 119.76 1nm3 s THR 35 Ca -0.09 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1nm3 s THR 35 Cb -0.04 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1nm3 s THR 35 CO -0.01 -0.07 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.92 1nm3 s VAL 36 N 1.62 1.88 -0.09 3.82 1.01 0.46 0.19 120.40 129.29 1nm3 s VAL 36 Ca 0.04 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 1nm3 s VAL 36 Cb -0.18 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1nm3 s VAL 36 CO 0.07 0.30 0.03 -0.63 0.00 0.00 0.00 175.10 174.87 1nm3 s ILE 37 N -0.78 4.52 0.01 2.22 1.01 0.13 0.38 121.20 128.68 1nm3 s ILE 37 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1nm3 s ILE 37 Cb -0.09 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 1nm3 s ILE 37 CO 0.02 0.60 -0.03 -0.69 0.00 0.00 0.00 174.94 174.85 1nm3 s VAL 38 N -0.88 0.17 -0.10 2.92 1.01 -1.26 -0.32 120.40 121.94 1nm3 s VAL 38 Ca 0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1nm3 s VAL 38 Cb -0.11 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.12 1nm3 s VAL 38 CO 0.03 -0.10 0.21 0.72 0.00 0.00 0.00 175.10 175.96 1nm3 s PHE 39 N -0.42 -0.29 0.21 5.22 -0.12 -0.91 -4.19 117.98 117.49 1nm3 s PHE 39 Ca -0.03 0.74 -0.07 0.00 -0.05 0.00 0.00 56.93 57.51 1nm3 s PHE 39 Cb -0.03 -0.06 -0.06 0.00 -0.63 0.00 0.00 43.02 42.23 1nm3 s PHE 39 CO -0.00 -0.26 0.49 -1.12 -0.05 0.00 0.00 175.22 174.28 1nm3 s SER 40 N 1.73 6.55 0.10 1.98 0.01 0.59 -1.73 113.70 122.94 1nm3 s SER 40 Ca -0.04 0.77 0.06 0.00 1.31 0.00 0.00 55.95 58.05 1nm3 s SER 40 Cb -0.11 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1nm3 s SER 40 CO -0.07 -0.05 -0.16 -0.76 0.41 0.00 0.00 173.24 172.60 1nm3 s LEU 41 N -2.90 2.34 0.28 2.44 1.43 -0.36 -3.53 118.68 118.38 1nm3 s LEU 41 Ca 0.45 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1nm3 s LEU 41 Cb -0.11 -0.62 0.37 0.00 0.03 0.00 0.00 46.19 45.85 1nm3 s LEU 41 CO 0.24 -0.07 1.95 1.55 0.23 0.00 0.00 176.35 180.24 1nm3 h PRO 42 N 3.87 1.18 -1.24 1.29 0.13 -1.88 -3.38 132.00 131.97 1nm3 h PRO 42 Ca -0.42 -0.07 0.30 0.00 -0.87 0.00 0.00 66.00 64.94 1nm3 h PRO 42 Cb 1.19 -0.26 -0.20 0.00 0.13 0.00 0.00 31.00 31.86 1nm3 h PRO 42 CO 0.45 0.79 0.90 0.20 -0.23 0.00 0.00 178.00 180.11 1nm3 s GLY 43 N -3.23 -0.24 0.27 1.56 0.00 -1.26 -4.20 107.32 100.22 1nm3 s GLY 43 Ca -0.12 1.77 -0.29 0.00 0.00 0.00 0.00 44.72 46.08 1nm3 s GLY 43 CO 0.80 0.59 1.00 0.00 0.00 0.00 0.00 173.10 175.49 1nm3 s ALA 44 N -2.21 3.33 0.00 3.20 0.00 -1.26 -3.51 121.76 121.31 1nm3 s ALA 44 Ca 0.11 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1nm3 s ALA 44 Cb -0.01 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1nm3 s ALA 44 CO -0.03 0.06 0.00 1.19 0.00 0.00 0.00 175.76 176.98 1nm3 n PHE 45 N 1.19 0.00 -1.10 0.00 3.01 -1.26 -4.98 117.46 114.32 1nm3 n PHE 45 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.14 1nm3 n PHE 45 Cb 0.47 -0.35 0.12 0.00 -0.01 0.00 0.00 39.48 39.71 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 -2.01 2.88 -0.29 4.37 -4.23 -1.23 -4.71 115.64 110.43 1nm3 s THR 46 Ca 0.00 0.29 -0.33 0.00 -1.18 0.00 0.00 61.69 60.47 1nm3 s THR 46 Cb 0.00 -2.66 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 1nm3 s THR 46 CO 0.00 -0.38 2.17 -2.65 -0.54 0.00 0.00 174.62 173.23 1nm3 n PRO 47 N -3.79 1.42 0.00 3.99 -0.02 -1.26 -4.52 135.00 130.82 1nm3 n PRO 47 Ca 0.09 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1nm3 n PRO 47 Cb 0.53 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1nm3 n PRO 47 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1nm3 n THR 48 N 7.17 0.25 0.00 3.45 -1.04 -1.26 -4.61 114.28 118.24 1nm3 n THR 48 Ca 0.36 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1nm3 n THR 48 Cb 0.30 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1nm3 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nm3 s SER 50 N -1.97 -0.74 0.00 0.00 0.15 -1.26 -4.84 113.70 105.04 1nm3 s SER 50 Ca 0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1nm3 s SER 50 Cb 0.00 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.90 1nm3 s SER 50 CO 0.00 -0.27 0.04 -1.54 1.20 0.00 0.00 173.24 172.67 1nm3 n SER 51 N 4.92 0.08 0.00 5.45 3.41 -1.26 -0.35 113.62 125.87 1nm3 n SER 51 Ca 0.07 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1nm3 n SER 51 Cb 0.53 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1nm3 n SER 51 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nm3 n SER 52 N 0.50 2.45 0.00 4.04 3.41 -1.26 -4.69 113.62 118.06 1nm3 n SER 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1nm3 n SER 52 Cb 0.02 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1nm3 n SER 52 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1nm3 n HIS 53 N -1.40 0.00 -0.29 7.33 -0.00 0.53 0.17 115.22 121.55 1nm3 n HIS 53 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1nm3 n HIS 53 Cb 0.25 -0.27 0.18 0.00 -0.00 0.00 0.00 29.99 30.15 1nm3 n HIS 53 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1nm3 h LEU 54 N 0.00 0.64 0.06 0.27 5.85 -1.91 -2.68 115.31 117.55 1nm3 h LEU 54 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1nm3 h LEU 54 Cb 0.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1nm3 h LEU 54 CO 0.00 0.35 -0.05 -0.65 -0.34 0.00 0.00 178.44 177.75 1nm3 h PRO 55 N 0.76 -0.11 -0.57 5.25 0.11 -1.66 -2.69 132.00 133.09 1nm3 h PRO 55 Ca 0.41 0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.68 1nm3 h PRO 55 Cb 0.43 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 1nm3 h PRO 55 CO -0.27 -0.07 0.40 -0.09 -0.21 0.00 0.00 178.00 177.76 1nm3 h ARG 56 N -0.11 0.11 -0.11 1.05 9.65 0.21 0.33 114.38 125.51 1nm3 h ARG 56 Ca -0.00 -0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 1nm3 h ARG 56 Cb 0.10 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1nm3 h ARG 56 CO -0.00 0.07 -0.48 1.88 2.80 0.00 0.00 179.97 184.24 1nm3 h TYR 57 N 0.12 0.69 -0.24 2.20 -1.99 -1.33 -1.59 116.97 114.83 1nm3 h TYR 57 Ca 0.27 -0.30 -0.05 0.00 2.00 0.00 0.00 58.73 60.66 1nm3 h TYR 57 Cb 0.93 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 1nm3 h TYR 57 CO -0.00 1.07 -0.05 -0.97 -0.00 0.00 0.00 178.16 178.21 1nm3 h ASN 58 N 0.12 0.35 -0.30 3.88 -1.24 -0.79 -0.99 115.58 116.60 1nm3 h ASN 58 Ca -0.03 -0.06 -0.18 0.00 0.71 0.00 0.00 56.30 56.74 1nm3 h ASN 58 Cb 1.12 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.08 1nm3 h ASN 58 CO 0.10 0.45 -0.51 -0.08 -1.29 0.00 0.00 177.43 176.11 1nm3 h GLU 59 N 0.36 0.89 -0.01 6.67 4.81 -0.30 -3.20 114.58 123.79 1nm3 h GLU 59 Ca 0.08 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1nm3 h GLU 59 Cb 0.33 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1nm3 h GLU 59 CO 0.01 1.18 -0.04 1.28 -0.73 0.00 0.00 179.01 180.71 1nm3 n LEU 60 N -4.02 1.48 -0.20 1.64 4.77 -0.61 -4.35 117.00 115.72 1nm3 n LEU 60 Ca -0.04 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1nm3 n LEU 60 Cb 0.61 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.79 1nm3 n LEU 60 CO 0.50 0.25 0.92 0.00 -1.33 0.00 0.00 177.39 177.73 1nm3 h ALA 61 N 4.26 0.70 -0.97 -1.18 0.00 -1.18 0.27 119.26 121.16 1nm3 h ALA 61 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1nm3 h ALA 61 Cb 0.52 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1nm3 h ALA 61 CO 0.00 -0.30 0.62 -1.35 0.00 0.00 0.00 179.25 178.22 1nm3 h PRO 62 N 0.26 0.91 -0.37 0.00 0.11 -1.81 -0.49 132.00 130.61 1nm3 h PRO 62 Ca 0.31 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.30 1nm3 h PRO 62 Cb 0.46 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1nm3 h PRO 62 CO -0.39 0.60 -0.05 0.28 -0.21 0.00 0.00 178.00 178.23 1nm3 h VAL 63 N 0.93 1.27 -0.56 3.15 2.07 -1.28 -1.17 116.25 120.66 1nm3 h VAL 63 Ca 0.48 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1nm3 h VAL 63 Cb 0.51 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1nm3 h VAL 63 CO -0.24 0.36 0.28 -0.26 0.02 0.00 0.00 177.57 177.73 1nm3 h PHE 64 N 0.49 0.77 -0.41 1.57 0.05 -0.39 -1.54 116.94 117.48 1nm3 h PHE 64 Ca 0.10 -0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.81 1nm3 h PHE 64 Cb 0.54 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 38.23 1nm3 h PHE 64 CO 0.04 0.56 0.02 0.87 -0.18 0.00 0.00 178.31 179.62 1nm3 h LYS 65 N 0.78 0.70 -0.26 1.51 1.79 -0.89 -0.09 116.57 120.11 1nm3 h LYS 65 Ca 0.20 -0.22 0.08 0.00 -2.18 0.00 0.00 60.65 58.53 1nm3 h LYS 65 Cb 0.06 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1nm3 h LYS 65 CO -0.03 0.78 0.24 -0.22 -1.08 0.00 0.00 179.45 179.14 1nm3 h LYS 66 N 0.54 0.00 -0.49 3.15 3.64 -0.26 -1.82 116.57 121.34 1nm3 h LYS 66 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nm3 h LYS 66 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1nm3 h LYS 66 CO 0.02 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 1nm3 n TYR 67 N -4.04 1.58 0.00 1.91 4.02 -0.73 -4.96 117.16 114.94 1nm3 n TYR 67 Ca 0.04 -0.74 0.00 0.00 -0.01 0.00 0.00 57.90 57.18 1nm3 n TYR 67 Cb 0.39 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 0.37 3.06 3.70 2.72 0.00 -0.68 -5.05 105.19 109.32 1nm3 n GLY 68 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.70 3.11 -0.13 1.61 1.01 -0.12 -4.63 120.40 118.53 1nm3 s VAL 69 Ca 0.00 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 1nm3 s VAL 69 Cb 0.00 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 32.82 1nm3 s VAL 69 CO 0.00 0.02 0.35 0.44 0.00 0.00 0.00 175.10 175.91 1nm3 h ASP 70 N 7.65 0.00 -4.44 3.32 3.32 -0.56 -3.33 116.42 122.38 1nm3 h ASP 70 Ca -0.42 -0.50 -0.40 0.00 0.02 0.00 0.00 57.03 55.73 1nm3 h ASP 70 Cb 1.20 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 1nm3 h ASP 70 CO 0.91 0.87 -0.77 -1.81 -1.72 0.00 0.00 179.24 176.72 1nm3 s ASP 71 N -6.02 1.64 -0.20 6.45 1.01 -1.19 -4.98 116.67 113.37 1nm3 s ASP 71 Ca -0.13 -0.65 0.01 0.00 0.71 0.00 0.00 52.55 52.49 1nm3 s ASP 71 Cb -0.00 -0.04 0.04 0.00 1.01 0.00 0.00 42.92 43.92 1nm3 s ASP 71 CO 0.40 -0.11 -0.12 -0.63 0.21 0.00 0.00 175.17 174.92 1nm3 s ILE 72 N -1.46 1.72 0.10 0.77 1.01 -1.26 -0.69 121.20 121.38 1nm3 s ILE 72 Ca -0.01 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.69 1nm3 s ILE 72 Cb -0.09 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1nm3 s ILE 72 CO 0.02 0.23 -0.03 -0.76 0.00 0.00 0.00 174.94 174.40 1nm3 s LEU 73 N 1.37 3.34 -0.15 2.97 1.43 0.56 -1.99 118.68 126.21 1nm3 s LEU 73 Ca -0.00 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1nm3 s LEU 73 Cb -0.16 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1nm3 s LEU 73 CO -0.09 0.17 -0.11 -0.69 0.23 0.00 0.00 176.35 175.87 1nm3 s VAL 74 N -1.29 3.11 -0.07 -1.59 1.01 -0.14 -2.14 120.40 119.29 1nm3 s VAL 74 Ca 0.25 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1nm3 s VAL 74 Cb -0.11 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1nm3 s VAL 74 CO 0.17 0.50 -0.24 -0.69 0.00 0.00 0.00 175.10 174.84 1nm3 s VAL 75 N 0.63 2.00 -0.06 2.92 1.01 -0.70 -0.54 120.40 125.66 1nm3 s VAL 75 Ca -0.06 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1nm3 s VAL 75 Cb -0.15 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1nm3 s VAL 75 CO 0.03 0.55 0.23 -0.55 0.00 0.00 0.00 175.10 175.36 1nm3 s SER 76 N 0.04 -0.17 -1.35 3.32 0.15 -1.16 -1.22 113.70 113.30 1nm3 s SER 76 Ca -0.09 0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.65 1nm3 s SER 76 Cb -0.15 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.62 1nm3 s SER 76 CO 0.05 -0.21 1.91 0.52 1.20 0.00 0.00 173.24 176.71 1nm3 n VAL 77 N 2.33 3.79 -4.09 4.45 0.31 -1.26 -1.85 118.33 122.01 1nm3 n VAL 77 Ca -0.16 -3.75 -0.10 0.00 -0.01 0.00 0.00 64.34 60.32 1nm3 n VAL 77 Cb 0.57 -2.45 -0.09 0.00 -0.91 0.00 0.00 33.84 30.97 1nm3 n VAL 77 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1nm3 s ASN 78 N 3.75 0.19 0.57 4.52 -0.87 -1.26 -4.77 114.94 117.07 1nm3 s ASN 78 Ca 0.51 -1.11 0.00 0.00 -1.57 0.00 0.00 52.86 50.69 1nm3 s ASN 78 Cb 0.07 0.36 0.03 0.00 -0.02 0.00 0.00 41.25 41.70 1nm3 s ASN 78 CO 0.02 -0.81 0.80 1.51 -2.57 0.00 0.00 177.10 176.05 1nm3 s ASP 79 N -3.03 5.26 0.20 -1.22 1.47 -1.26 -1.07 116.67 117.01 1nm3 s ASP 79 Ca 0.23 0.08 -0.10 0.00 1.18 0.00 0.00 52.55 53.94 1nm3 s ASP 79 Cb 0.06 -0.96 0.12 0.00 -0.34 0.00 0.00 42.92 41.80 1nm3 s ASP 79 CO 0.03 -1.17 1.80 0.71 0.68 0.00 0.00 175.17 177.21 1nm3 h THR 80 N -0.00 1.23 -0.33 2.11 1.35 -1.85 -2.82 112.91 112.60 1nm3 h THR 80 Ca -0.43 -0.61 0.07 0.00 -0.55 0.00 0.00 66.41 64.90 1nm3 h THR 80 Cb 1.30 0.34 -0.07 0.00 -1.73 0.00 0.00 68.15 67.98 1nm3 h THR 80 CO 0.54 0.26 -0.13 -0.26 -0.25 0.00 0.00 175.52 175.68 1nm3 h PHE 81 N 0.97 -0.30 0.00 4.73 -1.00 -1.95 0.88 116.94 120.28 1nm3 h PHE 81 Ca 0.24 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1nm3 h PHE 81 Cb 0.09 0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.83 1nm3 h PHE 81 CO 0.00 -0.20 0.00 0.28 -1.61 0.00 0.00 178.31 176.78 1nm3 n VAL 82 N -5.31 0.42 0.00 -0.55 0.31 -1.06 -1.72 118.33 110.41 1nm3 n VAL 82 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1nm3 n VAL 82 Cb 0.23 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.73 0.00 0.12 4.52 3.02 0.31 -1.72 115.26 122.24 1nm3 n ASN 84 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.74 1nm3 n ASN 84 Cb 0.22 0.00 0.77 0.00 -0.61 0.00 0.00 39.78 40.16 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 2.04 0.15 5.41 0.00 -1.52 0.69 119.26 126.03 1nm3 h ALA 85 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1nm3 h ALA 85 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nm3 h ALA 85 CO 0.00 -0.52 -1.57 2.35 0.00 0.00 0.00 179.25 179.52 1nm3 h TRP 86 N 0.00 0.59 -0.40 0.00 7.01 -1.59 -3.20 115.95 118.35 1nm3 h TRP 86 Ca 0.16 -0.43 0.03 0.00 2.11 0.00 0.00 58.89 60.76 1nm3 h TRP 86 Cb 0.85 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.86 1nm3 h TRP 86 CO 0.00 1.61 0.26 -0.22 -2.79 0.00 0.00 178.44 177.31 1nm3 h LYS 87 N -0.10 0.42 0.00 2.65 3.64 -1.40 0.23 116.57 122.01 1nm3 h LYS 87 Ca -0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1nm3 h LYS 87 Cb 1.93 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1nm3 h LYS 87 CO 0.12 0.28 0.00 1.49 -2.27 0.00 0.00 179.45 179.07 1nm3 h GLU 88 N 0.43 0.00 0.00 1.90 4.57 -1.02 -1.11 114.58 119.34 1nm3 h GLU 88 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1nm3 h GLU 88 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1nm3 h GLU 88 CO -0.04 0.00 0.00 -3.47 -1.18 0.00 0.00 179.01 174.32 1nm3 n ASP 89 N -3.07 0.00 -0.08 1.04 2.03 0.58 -4.24 116.55 112.81 1nm3 n ASP 89 Ca 0.02 0.27 0.25 0.00 0.52 0.00 0.00 54.79 55.85 1nm3 n ASP 89 Cb 0.37 -0.33 0.63 0.00 -0.72 0.00 0.00 41.12 41.06 1nm3 n ASP 89 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1nm3 h GLU 90 N 0.00 0.00 -6.76 -0.67 4.39 -1.03 -3.46 114.58 107.06 1nm3 h GLU 90 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 1nm3 h GLU 90 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1nm3 h GLU 90 CO 0.00 0.00 -1.03 1.63 -1.16 0.00 0.00 179.01 178.45 1nm3 n LYS 91 N -3.55 -1.10 -3.84 2.33 5.02 -0.42 -4.91 118.16 111.70 1nm3 n LYS 91 Ca 0.16 0.54 -0.30 0.00 -2.02 0.00 0.00 58.31 56.69 1nm3 n LYS 91 Cb 1.07 -2.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.45 1nm3 n LYS 91 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nm3 s SER 92 N -3.18 5.07 0.61 4.39 0.01 -1.26 -4.94 113.70 114.40 1nm3 s SER 92 Ca 0.18 -3.70 0.31 0.00 1.31 0.00 0.00 55.95 54.04 1nm3 s SER 92 Cb -0.10 -1.71 1.71 0.00 0.21 0.00 0.00 66.02 66.13 1nm3 s SER 92 CO 0.92 -0.13 2.06 1.05 0.41 0.00 0.00 173.24 177.54 1nm3 h GLU 93 N 5.71 0.00 -0.02 12.44 4.11 -1.92 -2.88 114.58 132.02 1nm3 h GLU 93 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1nm3 h GLU 93 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1nm3 h GLU 93 CO 0.75 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.92 1nm3 n ASN 94 N -3.52 0.66 -4.08 3.06 3.02 -1.26 -4.89 115.26 108.25 1nm3 n ASN 94 Ca 0.01 -1.27 -0.16 0.00 -0.03 0.00 0.00 54.58 53.13 1nm3 n ASN 94 Cb 0.37 -0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.98 0.74 0.06 2.41 -4.36 -1.09 -4.64 121.20 112.33 1nm3 s ILE 95 Ca 0.41 -0.95 -0.19 0.00 -0.26 0.00 0.00 60.65 59.66 1nm3 s ILE 95 Cb 0.20 -0.73 -0.06 0.00 1.25 0.00 0.00 42.46 43.12 1nm3 s ILE 95 CO 0.33 -0.18 0.56 -0.44 0.24 0.00 0.00 174.94 175.45 1nm3 s SER 96 N -1.25 7.03 -0.27 4.36 0.01 -0.84 -4.95 113.70 117.80 1nm3 s SER 96 Ca -0.04 1.22 -0.10 0.00 1.31 0.00 0.00 55.95 58.34 1nm3 s SER 96 Cb -0.08 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 1nm3 s SER 96 CO 0.01 0.26 0.17 -0.36 0.41 0.00 0.00 173.24 173.73 1nm3 s PHE 97 N -1.01 3.22 -0.32 2.43 0.40 -1.26 -0.96 117.98 120.48 1nm3 s PHE 97 Ca 0.29 0.08 -0.09 0.00 -0.60 0.00 0.00 56.93 56.60 1nm3 s PHE 97 Cb -0.19 -2.34 0.00 0.00 0.51 0.00 0.00 43.02 41.00 1nm3 s PHE 97 CO 0.18 -0.14 0.15 0.42 0.70 0.00 0.00 175.22 176.53 1nm3 s ILE 98 N 1.60 4.48 -1.20 0.64 1.09 0.30 -4.96 121.20 123.16 1nm3 s ILE 98 Ca 0.07 -0.53 -0.17 0.00 -1.10 0.00 0.00 60.65 58.91 1nm3 s ILE 98 Cb -0.15 -3.32 0.10 0.00 -1.06 0.00 0.00 42.46 38.03 1nm3 s ILE 98 CO 0.09 0.03 1.56 -2.16 -0.10 0.00 0.00 174.94 174.36 1nm3 s PRO 99 N 1.58 3.93 -0.54 2.79 0.04 -1.26 -2.97 135.00 138.58 1nm3 s PRO 99 Ca 0.04 -2.03 -0.07 0.00 0.04 0.00 0.00 61.00 58.98 1nm3 s PRO 99 Cb -0.17 -5.32 -0.16 0.00 0.04 0.00 0.00 34.50 28.88 1nm3 s PRO 99 CO 0.06 -2.07 3.29 -3.47 0.04 0.00 0.00 177.00 174.85 1nm3 n ASP 100 N 7.50 6.44 0.30 6.66 2.03 -0.77 -4.68 116.55 134.03 1nm3 n ASP 100 Ca 0.41 -2.63 0.18 0.00 0.52 0.00 0.00 54.79 53.27 1nm3 n ASP 100 Cb 0.46 -1.43 0.90 0.00 -0.72 0.00 0.00 41.12 40.33 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 5.40 0.00 -1.60 0.27 0.00 -1.27 -0.05 103.07 105.82 1nm3 h GLY 101 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1nm3 h GLY 101 CO 0.77 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.01 1nm3 n ASN 102 N -3.14 2.66 0.00 0.19 3.02 -1.26 -4.68 115.26 112.05 1nm3 n ASN 102 Ca -0.01 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1nm3 n ASN 102 Cb 0.33 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.28 0.38 7.41 0.00 -0.03 -4.90 105.19 109.64 1nm3 n GLY 103 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 0.68 -0.82 -0.22 1.61 4.81 -1.91 0.23 114.58 118.95 1nm3 h GLU 104 Ca 0.00 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1nm3 h GLU 104 Cb 0.41 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1nm3 h GLU 104 CO 0.00 -0.55 0.13 0.35 -0.73 0.00 0.00 179.01 178.21 1nm3 h PHE 105 N -0.85 0.25 -0.78 0.92 3.57 -1.90 -0.06 116.94 118.08 1nm3 h PHE 105 Ca -0.07 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.49 1nm3 h PHE 105 Cb 0.69 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 1nm3 h PHE 105 CO -0.10 0.15 0.48 1.15 -2.23 0.00 0.00 178.31 177.76 1nm3 h THR 106 N 0.27 1.05 0.21 4.41 2.02 -1.89 -2.41 112.91 116.58 1nm3 h THR 106 Ca 0.09 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1nm3 h THR 106 Cb -0.01 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1nm3 h THR 106 CO -0.04 0.16 -0.10 -0.08 0.37 0.00 0.00 175.52 175.83 1nm3 h GLU 107 N 0.90 -0.27 -1.95 6.66 4.22 -0.15 -2.76 114.58 121.22 1nm3 h GLU 107 Ca 0.33 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.79 1nm3 h GLU 107 Cb 0.11 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1nm3 h GLU 107 CO -0.15 -0.09 0.00 0.41 -2.18 0.00 0.00 179.01 177.00 1nm3 n GLY 108 N -0.90 0.29 2.73 1.92 0.00 -0.07 -4.64 105.19 104.53 1nm3 n GLY 108 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 1.56 -0.23 1.75 -0.02 0.00 -1.05 -4.83 105.19 102.38 1nm3 n GLY 110 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 2.58 -5.89 -4.15 0.99 7.94 -1.18 -5.08 117.00 112.20 1nm3 n LEU 112 Ca 0.16 2.94 -0.14 0.00 -1.11 0.00 0.00 56.01 57.86 1nm3 n LEU 112 Cb 0.57 -2.79 -0.11 0.00 0.53 0.00 0.00 43.42 41.62 1nm3 n LEU 112 CO 0.00 -0.91 -0.41 -0.69 -1.11 0.00 0.00 177.39 174.27 1nm3 s VAL 113 N -1.42 0.85 0.11 1.96 1.01 0.10 -4.95 120.40 118.06 1nm3 s VAL 113 Ca 0.00 -1.54 -0.23 0.00 0.00 0.00 0.00 61.98 60.21 1nm3 s VAL 113 Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 1nm3 s VAL 113 CO 0.00 -0.53 0.69 -0.83 0.00 0.00 0.00 175.10 174.43 1nm3 s GLY 114 N -2.29 2.80 -0.26 4.51 0.00 -1.26 -0.43 107.32 110.38 1nm3 s GLY 114 Ca 0.03 0.21 0.19 0.00 0.00 0.00 0.00 44.72 45.15 1nm3 s GLY 114 CO -0.00 0.74 1.13 0.28 0.00 0.00 0.00 173.10 175.24 1nm3 n LYS 115 N 1.84 2.15 0.33 2.90 5.02 -0.02 -4.87 118.16 125.51 1nm3 n LYS 115 Ca -0.07 -3.65 0.20 0.00 -2.02 0.00 0.00 58.31 52.78 1nm3 n LYS 115 Cb 0.50 -1.75 1.09 0.00 -0.02 0.00 0.00 35.03 34.85 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 2.49 0.00 0.00 1.97 3.07 -1.91 -1.26 114.58 118.94 1nm3 h GLU 116 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1nm3 h GLU 116 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1nm3 h GLU 116 CO 0.31 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.52 1nm3 n ASP 117 N -3.05 0.02 -0.04 1.42 5.75 -1.26 -2.03 116.55 117.36 1nm3 n ASP 117 Ca -0.03 0.50 0.02 0.00 -0.01 0.00 0.00 54.79 55.28 1nm3 n ASP 117 Cb 0.17 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 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 -1.52 0.44 0.00 -2.12 4.32 -0.49 -4.99 117.00 112.64 1nm3 n LEU 118 Ca 0.04 -0.59 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 1nm3 n LEU 118 Cb 0.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1nm3 n LEU 118 CO 0.15 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 1nm3 n GLY 119 N 0.95 0.49 0.92 -0.72 0.00 -0.86 -4.95 105.19 101.02 1nm3 n GLY 119 Ca 0.01 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.59 0.04 -4.58 1.61 0.99 -1.13 -5.00 117.46 105.80 1nm3 n PHE 120 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1nm3 n PHE 120 Cb 0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.85 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 1.29 1.30 3.70 1.37 0.00 -1.26 -4.38 105.19 107.22 1nm3 n GLY 121 Ca 0.14 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 4.47 0.33 1.61 3.01 -1.26 -0.84 119.74 127.07 1nm3 s LYS 122 Ca 0.00 1.21 0.05 0.00 -1.01 0.00 0.00 55.97 56.21 1nm3 s LYS 122 Cb 0.00 -3.48 -0.03 0.00 -1.01 0.00 0.00 37.83 33.31 1nm3 s LYS 122 CO 0.00 -0.08 0.20 1.03 0.51 0.00 0.00 175.35 177.01 1nm3 s ARG 123 N 1.21 1.72 0.38 1.68 1.81 0.42 -4.94 118.95 121.23 1nm3 s ARG 123 Ca 0.46 -2.01 -0.15 0.00 -1.72 0.00 0.00 55.73 52.31 1nm3 s ARG 123 Cb -0.19 -0.03 -0.09 0.00 -0.45 0.00 0.00 34.95 34.19 1nm3 s ARG 123 CO 0.22 -0.54 0.80 0.45 -0.68 0.00 0.00 175.30 175.55 1nm3 s SER 124 N -3.42 6.72 0.24 0.23 0.15 -1.26 -0.72 113.70 115.64 1nm3 s SER 124 Ca 0.35 1.33 -0.12 0.00 0.70 0.00 0.00 55.95 58.21 1nm3 s SER 124 Cb 0.03 -2.40 -0.08 0.00 -1.71 0.00 0.00 66.02 61.87 1nm3 s SER 124 CO 0.21 -0.31 0.59 0.86 1.20 0.00 0.00 173.24 175.78 1nm3 s TRP 125 N -2.17 3.45 -0.01 3.44 -0.11 -1.26 -3.63 118.94 118.64 1nm3 s TRP 125 Ca 0.55 0.98 -0.30 0.00 1.22 0.00 0.00 56.10 58.56 1nm3 s TRP 125 Cb -0.10 -2.34 -0.07 0.00 -1.50 0.00 0.00 33.47 29.46 1nm3 s TRP 125 CO 0.21 0.26 1.78 1.03 -4.62 0.00 0.00 176.95 175.62 1nm3 s ARG 126 N -2.70 4.17 -0.03 5.86 0.52 -1.26 -4.64 118.95 120.86 1nm3 s ARG 126 Ca 0.47 2.37 -0.29 0.00 -0.52 0.00 0.00 55.73 57.76 1nm3 s ARG 126 Cb -0.12 -4.05 0.10 0.00 0.52 0.00 0.00 34.95 31.40 1nm3 s ARG 126 CO 0.20 -0.89 0.85 1.52 0.02 0.00 0.00 175.30 177.00 1nm3 s TYR 127 N 4.18 -0.42 0.34 -0.53 -0.85 -1.23 -1.91 117.35 116.92 1nm3 s TYR 127 Ca 0.80 0.48 0.03 0.00 -0.52 0.00 0.00 57.07 57.86 1nm3 s TYR 127 Cb -0.37 0.50 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 1nm3 s TYR 127 CO 0.35 -0.54 0.10 -1.13 -1.52 0.00 0.00 175.55 172.81 1nm3 n SER 128 N 0.18 1.44 -3.90 -0.18 3.41 -0.82 -0.30 113.62 113.46 1nm3 n SER 128 Ca -0.12 -2.74 -0.20 0.00 -0.26 0.00 0.00 58.87 55.55 1nm3 n SER 128 Cb 0.60 0.75 -0.16 0.00 -0.26 0.00 0.00 64.21 65.14 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 1.36 -0.17 1.04 2.96 -0.73 -0.52 118.68 122.62 1nm3 s LEU 130 Ca 0.14 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1nm3 s LEU 130 Cb 0.01 -0.48 0.02 0.00 0.50 0.00 0.00 46.19 46.24 1nm3 s LEU 130 CO 0.10 -0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.23 1nm3 s VAL 131 N 0.88 1.86 -0.33 1.68 1.01 0.16 -0.87 120.40 124.79 1nm3 s VAL 131 Ca -0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1nm3 s VAL 131 Cb -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.53 1nm3 s VAL 131 CO 0.00 0.46 0.11 -0.54 0.00 0.00 0.00 175.10 175.13 1nm3 s LYS 132 N 1.36 2.80 -1.46 2.72 1.02 -0.72 -0.41 119.74 125.05 1nm3 s LYS 132 Ca 0.04 -1.06 -0.07 0.00 0.02 0.00 0.00 55.97 54.89 1nm3 s LYS 132 Cb -0.13 -3.47 0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1nm3 s LYS 132 CO -0.11 -0.60 0.77 -1.71 -0.92 0.00 0.00 175.35 172.77 1nm3 n ASN 133 N 4.86 -2.65 0.00 2.83 5.15 -0.60 -1.58 115.26 123.27 1nm3 n ASN 133 Ca -0.13 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1nm3 n ASN 133 Cb 0.46 -3.66 0.00 0.00 -0.53 0.00 0.00 39.78 36.05 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 2.35 3.56 8.20 0.00 -1.22 -4.70 105.19 111.70 1nm3 n GLY 134 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.39 5.16 -0.05 1.61 1.01 -0.61 -0.07 120.40 125.06 1nm3 s VAL 135 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1nm3 s VAL 135 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1nm3 s VAL 135 CO 0.00 0.24 2.02 0.52 0.00 0.00 0.00 175.10 177.88 1nm3 n VAL 136 N 5.04 0.64 -0.12 2.92 0.31 -0.08 -1.76 118.33 125.29 1nm3 n VAL 136 Ca -0.14 -0.21 -0.24 0.00 -0.01 0.00 0.00 64.34 63.74 1nm3 n VAL 136 Cb 0.52 -2.29 -0.11 0.00 -0.91 0.00 0.00 33.84 31.05 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 7.70 0.57 -2.06 5.55 2.13 -0.05 0.14 120.64 134.61 1nm3 n GLU 137 Ca 0.23 0.47 -0.01 0.00 0.66 0.00 0.00 57.16 58.52 1nm3 n GLU 137 Cb 0.40 -1.66 -0.00 0.00 0.27 0.00 0.00 31.44 30.44 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 -4.38 0.66 -3.14 5.31 3.00 -1.18 -4.57 118.16 113.86 1nm3 n LYS 138 Ca -0.39 -0.09 0.02 0.00 -0.00 0.00 0.00 58.31 57.85 1nm3 n LYS 138 Cb 0.74 0.06 -0.00 0.00 0.00 0.00 0.00 35.03 35.82 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 -1.71 -1.52 -0.24 5.64 0.40 0.32 -1.77 117.98 119.10 1nm3 s PHE 140 Ca 0.01 0.46 -0.21 0.00 -0.60 0.00 0.00 56.93 56.59 1nm3 s PHE 140 Cb 0.00 0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.79 1nm3 s PHE 140 CO 0.00 -0.98 0.68 0.42 0.70 0.00 0.00 175.22 176.04 1nm3 s ILE 141 N 2.21 4.96 0.40 0.64 1.01 -1.26 -1.95 121.20 127.20 1nm3 s ILE 141 Ca 0.15 1.25 -0.27 0.00 0.00 0.00 0.00 60.65 61.78 1nm3 s ILE 141 Cb -0.05 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1nm3 s ILE 141 CO -0.14 0.02 1.42 1.21 0.00 0.00 0.00 174.94 177.45 1nm3 n GLU 142 N 5.65 2.41 -1.78 2.79 4.07 -0.80 -4.95 120.64 128.02 1nm3 n GLU 142 Ca 0.01 0.85 -0.31 0.00 -0.06 0.00 0.00 57.16 57.65 1nm3 n GLU 142 Cb 0.49 -2.58 0.02 0.00 -0.06 0.00 0.00 31.44 29.31 1nm3 n GLU 142 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1nm3 s PRO 143 N -2.17 3.35 -0.32 5.31 0.04 -1.26 -4.96 135.00 134.98 1nm3 s PRO 143 Ca 0.56 0.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 1nm3 s PRO 143 Cb -0.48 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.02 1nm3 s PRO 143 CO 0.61 -0.76 2.79 -1.71 0.04 0.00 0.00 177.00 177.97 1nm3 n ASN 144 N -2.88 6.18 -4.66 6.66 2.85 -1.26 -4.93 115.26 117.22 1nm3 n ASN 144 Ca 0.06 -3.01 -0.33 0.00 -0.11 0.00 0.00 54.58 51.19 1nm3 n ASN 144 Cb 0.54 -1.24 -0.10 0.00 1.24 0.00 0.00 39.78 40.23 1nm3 n ASN 144 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1nm3 s GLU 145 N -1.12 2.81 1.01 1.20 2.02 -1.26 -5.11 118.70 118.25 1nm3 s GLU 145 Ca 0.54 -0.55 -0.12 0.00 0.02 0.00 0.00 54.97 54.85 1nm3 s GLU 145 Cb 0.33 -2.68 0.20 0.00 0.10 0.00 0.00 34.13 32.08 1nm3 s GLU 145 CO -0.13 0.65 1.08 -2.14 0.02 0.00 0.00 175.26 174.74 1nm3 s PRO 146 N -1.24 0.32 0.57 0.39 0.02 -1.26 -4.81 135.00 128.98 1nm3 s PRO 146 Ca 0.16 0.61 0.00 0.00 0.02 0.00 0.00 61.00 61.79 1nm3 s PRO 146 Cb -0.11 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1nm3 s PRO 146 CO 0.06 -2.83 0.00 0.41 -0.33 0.00 0.00 177.00 174.32 1nm3 n GLY 147 N -0.80 -0.25 3.52 0.52 0.00 -1.26 -4.91 105.19 102.00 1nm3 n GLY 147 Ca 0.05 -1.70 -0.50 0.00 0.00 0.00 0.00 46.02 43.87 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 0.18 2.44 0.09 1.61 2.03 -1.26 -4.81 116.55 116.83 1nm3 n ASP 148 Ca 0.00 0.54 0.07 0.00 0.52 0.00 0.00 54.79 55.93 1nm3 n ASP 148 Cb 0.00 -1.29 0.37 0.00 -0.72 0.00 0.00 41.12 39.48 1nm3 n ASP 148 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1nm3 n PRO 149 N 7.75 0.09 -3.51 -0.67 -0.02 -1.26 -3.92 135.00 133.45 1nm3 n PRO 149 Ca 0.36 0.52 -0.27 0.00 -2.02 0.00 0.00 63.50 62.10 1nm3 n PRO 149 Cb 0.25 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 1nm3 n PRO 149 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1nm3 n PHE 150 N -1.95 1.50 1.05 6.00 3.01 -1.26 -4.88 117.46 120.93 1nm3 n PHE 150 Ca 0.00 -3.86 0.11 0.00 1.01 0.00 0.00 57.45 54.72 1nm3 n PHE 150 Cb 0.07 -0.31 0.08 0.00 -0.01 0.00 0.00 39.48 39.30 1nm3 n PHE 150 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1nm3 n LYS 151 N 1.84 0.69 0.00 -1.08 5.02 -1.25 -4.50 118.16 118.87 1nm3 n LYS 151 Ca 0.25 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1nm3 n LYS 151 Cb 0.43 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1nm3 n LYS 151 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nm3 n VAL 152 N -0.70 0.00 1.53 -0.18 0.31 -1.26 -4.86 118.33 113.18 1nm3 n VAL 152 Ca 0.08 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.55 1nm3 n VAL 152 Cb 0.39 0.00 0.55 0.00 -0.91 0.00 0.00 33.84 33.88 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 -0.33 1.39 -4.55 4.52 3.41 -1.26 -4.80 113.62 111.99 1nm3 n SER 153 Ca 0.00 -1.46 -0.30 0.00 -0.26 0.00 0.00 58.87 56.85 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 0.08 -0.82 -0.03 4.04 5.68 -1.26 -4.59 116.55 119.64 1nm3 n ASP 154 Ca 0.19 0.17 -0.10 0.00 -0.50 0.00 0.00 54.79 54.55 1nm3 n ASP 154 Cb 0.34 -1.34 0.05 0.00 -1.14 0.00 0.00 41.12 39.02 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 -2.17 0.70 0.43 2.12 0.00 -1.90 -3.26 119.26 115.17 1nm3 h ALA 155 Ca -0.50 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 1nm3 h ALA 155 Cb 1.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nm3 h ALA 155 CO 0.43 0.67 -0.25 -0.44 0.00 0.00 0.00 179.25 179.66 1nm3 h ASP 156 N 0.53 -0.63 0.00 0.00 3.32 -1.91 0.30 116.42 118.03 1nm3 h ASP 156 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1nm3 h ASP 156 Cb 1.01 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1nm3 h ASP 156 CO 0.10 -0.41 0.00 0.41 -1.72 0.00 0.00 179.24 177.62 1nm3 n THR 157 N -5.39 0.00 0.00 0.35 -1.04 -1.23 -0.63 114.28 106.34 1nm3 n THR 157 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1nm3 n THR 157 Cb 0.29 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 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 0.39 0.00 0.24 -4.42 7.94 0.09 -2.38 117.00 118.87 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 0.82 0.00 0.53 0.00 0.00 43.42 44.77 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 -1.13 0.51 116.57 121.73 1nm3 h LYS 160 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1nm3 h LYS 160 Cb 0.00 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1nm3 h LYS 160 CO 0.00 0.00 -1.03 -0.92 -2.27 0.00 0.00 179.45 175.23 1nm3 h TYR 161 N 0.00 0.68 -0.07 1.91 3.20 -1.70 -2.36 116.97 118.63 1nm3 h TYR 161 Ca 0.04 -0.50 -0.24 0.00 3.14 0.00 0.00 58.73 61.18 1nm3 h TYR 161 Cb 0.21 -0.03 0.02 0.00 1.54 0.00 0.00 36.73 38.47 1nm3 h TYR 161 CO 0.00 1.39 -0.88 1.25 -1.64 0.00 0.00 178.16 178.28 1nm3 h LEU 162 N -0.21 0.90 -5.99 2.82 5.85 -1.63 -3.39 115.31 113.65 1nm3 h LEU 162 Ca -0.18 -0.69 -0.54 0.00 0.84 0.00 0.00 57.88 57.31 1nm3 h LEU 162 Cb 1.81 -0.27 -0.39 0.00 0.37 0.00 0.00 40.66 42.18 1nm3 h LEU 162 CO 0.19 1.46 -1.12 0.00 -0.34 0.00 0.00 178.44 178.62 1nm3 n ALA 163 N -2.62 2.32 0.31 1.25 0.00 0.17 -4.94 120.51 117.00 1nm3 n ALA 163 Ca -0.09 -3.39 0.18 0.00 0.00 0.00 0.00 53.44 50.14 1nm3 n ALA 163 Cb 0.80 -0.84 0.95 0.00 0.00 0.00 0.00 19.45 20.36 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 3.80 0.00 -0.51 0.00 0.13 -1.54 -0.15 132.00 133.73 1nm3 h PRO 164 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1nm3 h PRO 164 Cb 0.90 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1nm3 h PRO 164 CO 0.47 0.00 0.18 1.96 -0.23 0.00 0.00 178.00 180.38 1nm3 h GLN 165 N 0.00 0.77 -6.71 0.86 7.50 -1.91 -3.45 115.11 112.17 1nm3 h GLN 165 Ca 0.02 -0.15 -0.58 0.00 0.50 0.00 0.00 58.65 58.44 1nm3 h GLN 165 Cb 0.44 -0.12 0.14 0.00 0.05 0.00 0.00 27.48 27.98 1nm3 h GLN 165 CO -0.00 0.70 0.19 1.58 -1.50 0.00 0.00 178.83 179.80 1nm3 n HIS 166 N -4.52 1.20 -3.76 2.96 -0.00 -0.07 -5.02 115.22 106.02 1nm3 n HIS 166 Ca 0.02 0.52 -0.29 0.00 0.46 0.00 0.00 57.72 58.43 1nm3 n HIS 166 Cb 0.17 -2.23 -0.16 0.00 -0.12 0.00 0.00 29.99 27.66 1nm3 n HIS 166 CO 0.00 0.00 0.00 1.14 0.46 0.00 0.00 176.34 177.94 1nm3 s GLN 167 N -2.20 0.79 0.26 1.57 1.03 -1.26 -5.01 119.66 114.84 1nm3 s GLN 167 Ca 0.66 -0.82 -0.30 0.00 0.04 0.00 0.00 55.36 54.94 1nm3 s GLN 167 Cb -0.52 -2.09 -0.14 0.00 0.03 0.00 0.00 33.01 30.30 1nm3 s GLN 167 CO 0.55 -0.82 1.23 0.28 -2.54 0.00 0.00 175.29 173.99 1nm3 n VAL 168 N 4.91 1.46 -1.25 3.63 0.31 -1.26 -4.94 118.33 121.18 1nm3 n VAL 168 Ca -0.06 -0.36 -0.31 0.00 -0.01 0.00 0.00 64.34 63.59 1nm3 n VAL 168 Cb 0.44 -1.25 0.10 0.00 -0.91 0.00 0.00 33.84 32.22 1nm3 n VAL 168 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nm3 s GLN 169 N -1.04 2.16 0.83 5.55 -2.07 -1.26 -5.00 119.66 118.83 1nm3 s GLN 169 Ca 0.64 1.26 -0.11 0.00 -1.82 0.00 0.00 55.36 55.33 1nm3 s GLN 169 Cb -0.68 -1.88 0.09 0.00 -1.09 0.00 0.00 33.01 29.45 1nm3 s GLN 169 CO 0.56 -1.73 1.10 -1.21 -1.32 0.00 0.00 175.29 172.68 1nm3 s GLU 170 N -4.75 1.81 0.17 9.60 2.02 -1.26 -4.94 118.70 121.35 1nm3 s GLU 170 Ca 0.63 1.10 -0.31 0.00 0.02 0.00 0.00 54.97 56.41 1nm3 s GLU 170 Cb -0.19 -1.85 -0.09 0.00 0.10 0.00 0.00 34.13 32.10 1nm3 s GLU 170 CO 0.54 -1.94 1.45 -1.12 0.02 0.00 0.00 175.26 174.22 1nm3 s SER 171 N -3.32 6.71 -0.12 -0.19 0.01 -1.26 -4.73 113.70 110.80 1nm3 s SER 171 Ca 0.62 2.51 0.01 0.00 1.31 0.00 0.00 55.95 60.40 1nm3 s SER 171 Cb -0.18 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.47 1nm3 s SER 171 CO 0.57 -0.70 -0.13 -0.63 0.41 0.00 0.00 173.24 172.76 1nm3 s ILE 172 N 0.71 1.38 -0.00 1.44 1.01 -1.26 0.17 121.20 124.65 1nm3 s ILE 172 Ca 0.64 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.80 1nm3 s ILE 172 Cb -0.40 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1nm3 s ILE 172 CO 0.35 0.42 -0.14 -0.55 0.00 0.00 0.00 174.94 175.02 1nm3 s SER 173 N 1.36 1.61 -0.02 3.58 0.15 0.58 -1.37 113.70 119.59 1nm3 s SER 173 Ca 0.01 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1nm3 s SER 173 Cb -0.13 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.03 1nm3 s SER 173 CO -0.07 0.15 0.02 -0.51 1.20 0.00 0.00 173.24 174.03 1nm3 s ILE 174 N -0.40 0.03 -0.12 6.45 2.07 -1.09 0.63 121.20 128.76 1nm3 s ILE 174 Ca 0.05 0.15 -0.22 0.00 -1.41 0.00 0.00 60.65 59.22 1nm3 s ILE 174 Cb -0.06 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 1nm3 s ILE 174 CO -0.00 0.10 0.63 -0.36 -1.91 0.00 0.00 174.94 173.40 1nm3 s PHE 175 N 0.93 3.50 0.37 3.50 0.40 0.33 -2.62 117.98 124.39 1nm3 s PHE 175 Ca -0.08 1.07 0.04 0.00 -0.60 0.00 0.00 56.93 57.36 1nm3 s PHE 175 Cb -0.12 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.63 1nm3 s PHE 175 CO -0.02 0.02 0.15 0.95 0.70 0.00 0.00 175.22 177.02 1nm3 s THR 176 N 1.14 0.49 0.09 0.64 -4.23 -0.81 -2.75 115.64 110.21 1nm3 s THR 176 Ca 0.32 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.77 1nm3 s THR 176 Cb -0.16 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1nm3 s THR 176 CO 0.14 0.00 0.14 -0.75 -0.54 0.00 0.00 174.62 173.61 1nm3 s LYS 177 N -3.71 0.83 0.20 3.99 2.20 -1.26 -0.51 119.74 121.48 1nm3 s LYS 177 Ca 0.29 -1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 1nm3 s LYS 177 Cb 0.03 0.31 -0.08 0.00 -1.51 0.00 0.00 37.83 36.58 1nm3 s LYS 177 CO 0.17 -0.25 1.18 -2.14 -0.36 0.00 0.00 175.35 173.95 1nm3 s PRO 178 N -3.90 4.52 0.00 4.03 0.02 -1.26 -3.84 135.00 134.57 1nm3 s PRO 178 Ca 0.08 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1nm3 s PRO 178 Cb 0.06 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1nm3 s PRO 178 CO -0.09 -0.04 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 1nm3 n GLY 179 N 2.04 1.92 0.00 0.52 0.00 -1.26 -4.97 105.19 103.44 1nm3 n GLY 179 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1nm3 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nm3 h PRO 181 N 0.00 0.16 -0.95 0.00 0.13 -1.93 -1.73 132.00 127.68 1nm3 h PRO 181 Ca 0.00 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.18 1nm3 h PRO 181 Cb 0.00 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.03 1nm3 h PRO 181 CO 0.00 0.17 0.61 0.74 -0.23 0.00 0.00 178.00 179.29 1nm3 h PHE 182 N 0.16 1.13 -0.60 1.56 0.05 -1.93 0.33 116.94 117.64 1nm3 h PHE 182 Ca 0.04 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.84 1nm3 h PHE 182 Cb 0.10 -0.37 -0.03 0.00 2.00 0.00 0.00 35.95 37.66 1nm3 h PHE 182 CO 0.00 0.58 0.29 0.00 -0.18 0.00 0.00 178.31 179.00 1nm3 h ALA 184 N 1.12 0.69 -0.74 0.00 0.00 -0.95 0.14 119.26 119.51 1nm3 h ALA 184 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nm3 h ALA 184 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1nm3 h ALA 184 CO -0.03 0.40 0.40 -0.22 0.00 0.00 0.00 179.25 179.81 1nm3 h LYS 185 N 0.73 1.03 -0.26 0.00 3.64 -0.03 0.35 116.57 122.03 1nm3 h LYS 185 Ca 0.16 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1nm3 h LYS 185 Cb 0.37 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1nm3 h LYS 185 CO 0.01 0.78 0.05 0.00 -2.27 0.00 0.00 179.45 178.01 1nm3 h ALA 186 N 1.20 0.34 -0.67 5.00 0.00 -0.82 -2.47 119.26 121.85 1nm3 h ALA 186 Ca 0.26 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nm3 h ALA 186 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1nm3 h ALA 186 CO -0.04 0.02 0.11 0.87 0.00 0.00 0.00 179.25 180.20 1nm3 h LYS 187 N 0.24 1.11 -0.21 0.00 1.57 -0.30 -2.77 116.57 116.20 1nm3 h LYS 187 Ca 0.08 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1nm3 h LYS 187 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1nm3 h LYS 187 CO 0.00 1.01 0.14 1.96 -0.57 0.00 0.00 179.45 182.00 1nm3 h GLN 188 N 1.03 0.29 -0.85 3.15 1.08 -0.29 -1.11 115.11 118.40 1nm3 h GLN 188 Ca 0.20 -0.02 0.22 0.00 -1.45 0.00 0.00 58.65 57.60 1nm3 h GLN 188 Cb 0.45 -0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 27.68 1nm3 h GLN 188 CO 0.01 0.21 0.22 1.25 -0.95 0.00 0.00 178.83 179.57 1nm3 h LEU 189 N 0.28 -0.00 -0.24 1.46 5.85 -1.18 0.33 115.31 121.81 1nm3 h LEU 189 Ca 0.08 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1nm3 h LEU 189 Cb -0.01 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1nm3 h LEU 189 CO -0.02 -0.13 0.02 -0.07 -0.34 0.00 0.00 178.44 177.90 1nm3 h LEU 190 N 0.22 0.40 -0.16 2.25 3.38 -1.13 -2.98 115.31 117.30 1nm3 h LEU 190 Ca 0.52 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1nm3 h LEU 190 Cb 1.03 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1nm3 h LEU 190 CO -0.63 0.59 -0.41 0.45 0.09 0.00 0.00 178.44 178.52 1nm3 h HIS 191 N 0.21 -1.19 0.00 1.13 3.86 0.74 0.15 115.15 120.04 1nm3 h HIS 191 Ca 0.07 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1nm3 h HIS 191 Cb 0.37 0.54 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1nm3 h HIS 191 CO 0.03 -0.47 0.00 -0.25 0.86 0.00 0.00 177.93 178.10 1nm3 n ASP 192 N -5.43 2.36 0.00 2.45 10.43 0.49 -2.04 116.55 124.82 1nm3 n ASP 192 Ca -0.04 -1.47 0.00 0.00 2.57 0.00 0.00 54.79 55.85 1nm3 n ASP 192 Cb 0.36 -0.46 0.00 0.00 1.84 0.00 0.00 41.12 42.85 1nm3 n ASP 192 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1nm3 n LYS 193 N 1.27 0.00 -3.23 -1.24 4.76 0.50 -4.98 118.16 115.23 1nm3 n LYS 193 Ca 0.00 -0.12 -0.23 0.00 -2.87 0.00 0.00 58.31 55.08 1nm3 n LYS 193 Cb 0.28 -0.26 0.04 0.00 -1.84 0.00 0.00 35.03 33.26 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 0.00 -0.53 3.46 0.72 0.00 -0.86 -4.98 105.19 103.00 1nm3 n GLY 194 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.88 2.68 0.31 0.99 1.43 -1.15 -5.03 118.68 111.03 1nm3 s LEU 195 Ca 0.40 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1nm3 s LEU 195 Cb -0.18 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1nm3 s LEU 195 CO 0.50 0.34 0.51 -0.44 0.23 0.00 0.00 176.35 177.49 1nm3 s SER 196 N -0.69 6.33 -0.29 2.29 0.01 -1.26 -4.53 113.70 115.57 1nm3 s SER 196 Ca 0.11 0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.68 1nm3 s SER 196 Cb -0.11 -2.03 0.10 0.00 0.21 0.00 0.00 66.02 64.19 1nm3 s SER 196 CO 0.01 -0.22 0.69 0.72 0.41 0.00 0.00 173.24 174.84 1nm3 s PHE 197 N -2.19 -1.15 0.59 2.43 -0.12 -1.26 -4.45 117.98 111.84 1nm3 s PHE 197 Ca 0.40 2.16 -0.17 0.00 -0.05 0.00 0.00 56.93 59.27 1nm3 s PHE 197 Cb -0.10 0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1nm3 s PHE 197 CO 0.34 -0.57 1.09 -2.00 -0.05 0.00 0.00 175.22 174.03 1nm3 s GLU 198 N 2.09 3.19 -0.09 1.99 2.12 -0.47 -4.94 118.70 122.60 1nm3 s GLU 198 Ca -0.08 1.40 -0.00 0.00 0.36 0.00 0.00 54.97 56.64 1nm3 s GLU 198 Cb -0.07 -2.00 0.02 0.00 0.26 0.00 0.00 34.13 32.34 1nm3 s GLU 198 CO -0.19 -0.94 -0.05 -2.00 -0.54 0.00 0.00 175.26 171.54 1nm3 s GLU 199 N -3.77 1.15 -0.51 4.30 2.12 -1.26 -2.68 118.70 118.05 1nm3 s GLU 199 Ca 0.68 -0.12 -0.15 0.00 0.36 0.00 0.00 54.97 55.74 1nm3 s GLU 199 Cb -0.20 -1.28 0.11 0.00 0.26 0.00 0.00 34.13 33.03 1nm3 s GLU 199 CO 0.34 -0.24 0.45 0.42 -0.54 0.00 0.00 175.26 175.69 1nm3 s ILE 200 N 1.63 5.04 0.16 -3.70 1.01 -1.08 -4.99 121.20 119.28 1nm3 s ILE 200 Ca 0.02 -1.43 -0.30 0.00 0.00 0.00 0.00 60.65 58.93 1nm3 s ILE 200 Cb -0.13 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 1nm3 s ILE 200 CO -0.05 -0.77 0.97 -0.63 0.00 0.00 0.00 174.94 174.45 1nm3 s ILE 201 N 1.57 4.30 -0.64 2.92 1.09 -1.26 -1.92 121.20 127.26 1nm3 s ILE 201 Ca 0.04 2.03 0.21 0.00 -1.10 0.00 0.00 60.65 61.83 1nm3 s ILE 201 Cb -0.28 -4.30 0.21 0.00 -1.06 0.00 0.00 42.46 37.04 1nm3 s ILE 201 CO 0.03 0.37 1.65 0.18 -0.10 0.00 0.00 174.94 177.07 1nm3 n LEU 202 N 2.34 0.48 0.01 2.97 7.99 0.33 -1.44 117.00 129.68 1nm3 n LEU 202 Ca 0.01 0.61 -0.17 0.00 -0.01 0.00 0.00 56.01 56.45 1nm3 n LEU 202 Cb 0.48 -0.54 -0.07 0.00 -0.11 0.00 0.00 43.42 43.18 1nm3 n LEU 202 CO 0.51 -0.45 0.21 1.23 -1.51 0.00 0.00 177.39 177.38 1nm3 h GLY 203 N 2.46 0.80 0.00 -0.72 0.00 -1.82 -3.40 103.07 100.39 1nm3 h GLY 203 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 47.33 46.12 1nm3 h GLY 203 CO 0.00 1.08 0.00 1.42 0.00 0.00 0.00 176.54 179.04 1nm3 n HIS 204 N -3.89 -1.20 -0.24 5.60 8.25 -1.10 -4.86 115.22 117.79 1nm3 n HIS 204 Ca -0.08 0.21 0.30 0.00 -0.26 0.00 0.00 57.72 57.89 1nm3 n HIS 204 Cb 0.79 0.39 0.51 0.00 1.12 0.00 0.00 29.99 32.80 1nm3 n HIS 204 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1nm3 h ASP 205 N 0.00 0.00 -0.00 0.41 3.32 -1.64 -3.44 116.42 115.07 1nm3 h ASP 205 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nm3 h ASP 205 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1nm3 h ASP 205 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1nm3 n ALA 206 N -2.34 0.00 -3.00 3.45 0.00 -0.52 -4.85 120.51 113.25 1nm3 n ALA 206 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1nm3 n ALA 206 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.94 1nm3 n ALA 206 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nm3 n THR 207 N 0.00 0.00 -0.06 0.00 -2.24 -1.26 -4.05 114.28 106.67 1nm3 n THR 207 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1nm3 n THR 207 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1nm3 n THR 207 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nm3 h ILE 208 N 0.00 1.31 -0.70 2.28 2.04 -2.00 -3.29 117.51 117.14 1nm3 h ILE 208 Ca 0.00 -1.74 0.13 0.00 1.00 0.00 0.00 64.86 64.26 1nm3 h ILE 208 Cb 0.00 1.84 -0.13 0.00 -0.74 0.00 0.00 36.82 37.79 1nm3 h ILE 208 CO 0.00 0.55 -0.25 0.58 0.00 0.00 0.00 178.15 179.03 1nm3 h VAL 209 N 0.44 0.22 -0.90 1.67 2.07 -1.99 -0.18 116.25 117.58 1nm3 h VAL 209 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1nm3 h VAL 209 Cb 1.13 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1nm3 h VAL 209 CO 0.11 0.00 0.59 0.28 0.02 0.00 0.00 177.57 178.57 1nm3 h SER 210 N -0.06 1.00 -0.00 0.57 0.02 -1.98 -0.29 113.55 112.81 1nm3 h SER 210 Ca 0.31 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.15 1nm3 h SER 210 Cb 0.55 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1nm3 h SER 210 CO -0.74 0.71 -0.25 0.58 -1.14 0.00 0.00 176.83 175.98 1nm3 h VAL 211 N 1.17 1.26 0.13 2.27 2.07 -1.15 -0.32 116.25 121.69 1nm3 h VAL 211 Ca 0.34 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1nm3 h VAL 211 Cb -0.07 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1nm3 h VAL 211 CO -0.09 0.38 -0.06 0.03 0.02 0.00 0.00 177.57 177.85 1nm3 h ARG 212 N 0.37 -0.17 -0.11 1.57 3.08 -0.78 -2.26 114.38 116.08 1nm3 h ARG 212 Ca 0.06 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1nm3 h ARG 212 Cb 0.64 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1nm3 h ARG 212 CO 0.05 0.27 -0.22 0.00 -1.07 0.00 0.00 179.97 179.00 1nm3 h ALA 213 N 0.05 -0.19 -0.12 0.04 0.00 -0.94 0.66 119.26 118.76 1nm3 h ALA 213 Ca -0.02 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1nm3 h ALA 213 Cb 0.51 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1nm3 h ALA 213 CO 0.03 -0.68 -0.58 0.28 0.00 0.00 0.00 179.25 178.30 1nm3 h VAL 214 N -0.29 1.34 0.00 0.00 2.07 -1.16 -3.38 116.25 114.84 1nm3 h VAL 214 Ca 0.09 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1nm3 h VAL 214 Cb 0.42 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1nm3 h VAL 214 CO -0.28 0.57 -1.08 -1.54 0.02 0.00 0.00 177.57 175.26 1nm3 n SER 215 N -4.15 0.96 -1.67 0.57 3.41 -0.85 -4.98 113.62 106.91 1nm3 n SER 215 Ca -0.08 -0.55 -0.17 0.00 -0.26 0.00 0.00 58.87 57.81 1nm3 n SER 215 Cb 0.64 1.26 -0.04 0.00 -0.26 0.00 0.00 64.21 65.82 1nm3 n SER 215 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nm3 n GLY 216 N 1.45 0.55 3.53 5.00 0.00 0.23 -4.98 105.19 110.96 1nm3 n GLY 216 Ca 0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1nm3 n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nm3 s ARG 217 N -4.24 1.82 0.00 1.61 1.81 -1.25 -5.03 118.95 113.66 1nm3 s ARG 217 Ca 0.00 -1.79 0.18 0.00 -1.72 0.00 0.00 55.73 52.40 1nm3 s ARG 217 Cb 0.00 -1.80 0.11 0.00 -0.45 0.00 0.00 34.95 32.80 1nm3 s ARG 217 CO 0.00 0.25 1.02 0.25 -0.68 0.00 0.00 175.30 176.14 1nm3 n THR 218 N -0.73 0.00 -4.18 0.02 -2.24 -1.26 -3.67 114.28 102.21 1nm3 n THR 218 Ca -0.05 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 1nm3 n THR 218 Cb 0.61 1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 70.07 1nm3 n THR 218 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nm3 s THR 219 N -1.61 0.07 0.24 4.28 -4.23 -1.26 -5.01 115.64 108.12 1nm3 s THR 219 Ca 0.19 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.82 1nm3 s THR 219 Cb 0.15 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 1nm3 s THR 219 CO 0.27 -0.19 0.08 0.68 -0.54 0.00 0.00 174.62 174.92 1nm3 s VAL 220 N -4.10 3.90 0.30 2.29 -7.23 -1.26 -4.39 120.40 109.92 1nm3 s VAL 220 Ca 0.33 -1.62 -0.25 0.00 -1.81 0.00 0.00 61.98 58.63 1nm3 s VAL 220 Cb 0.07 -3.07 -0.10 0.00 0.56 0.00 0.00 36.38 33.84 1nm3 s VAL 220 CO 0.08 -0.31 0.91 -2.16 -0.31 0.00 0.00 175.10 173.30 1nm3 s PRO 221 N -3.60 4.54 -0.17 4.82 0.04 -1.26 -4.81 135.00 134.56 1nm3 s PRO 221 Ca 0.31 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.62 1nm3 s PRO 221 Cb -0.08 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1nm3 s PRO 221 CO 0.22 0.31 -0.19 -0.65 0.04 0.00 0.00 177.00 176.73 1nm3 s GLN 222 N -2.01 3.06 -0.14 4.56 -1.52 -1.11 -3.44 119.66 119.06 1nm3 s GLN 222 Ca 0.49 -0.81 -0.01 0.00 -1.95 0.00 0.00 55.36 53.08 1nm3 s GLN 222 Cb -0.19 -2.56 -0.01 0.00 -0.22 0.00 0.00 33.01 30.03 1nm3 s GLN 222 CO 0.24 -0.11 -0.12 0.08 -0.25 0.00 0.00 175.29 175.12 1nm3 s VAL 223 N 1.08 3.13 -0.11 1.09 1.01 0.18 -0.51 120.40 126.28 1nm3 s VAL 223 Ca -0.00 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1nm3 s VAL 223 Cb -0.14 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1nm3 s VAL 223 CO -0.07 0.52 -0.18 -0.36 0.00 0.00 0.00 175.10 175.01 1nm3 s PHE 224 N 0.44 2.69 -0.23 5.22 0.40 0.20 0.13 117.98 126.83 1nm3 s PHE 224 Ca -0.09 -0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 1nm3 s PHE 224 Cb -0.16 -1.77 0.07 0.00 0.51 0.00 0.00 43.02 41.68 1nm3 s PHE 224 CO 0.05 -0.25 0.03 0.42 0.70 0.00 0.00 175.22 176.16 1nm3 s ILE 225 N 0.23 0.86 -0.81 0.64 1.01 -0.42 -0.31 121.20 122.41 1nm3 s ILE 225 Ca -0.12 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 1nm3 s ILE 225 Cb -0.16 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1nm3 s ILE 225 CO 0.06 -0.29 0.30 0.61 0.00 0.00 0.00 174.94 175.62 1nm3 n GLY 226 N 4.91 0.06 2.15 6.18 0.00 0.44 -2.98 105.19 115.94 1nm3 n GLY 226 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.14 2.38 3.87 -0.02 0.00 -1.26 -4.95 105.19 104.06 1nm3 n GLY 227 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.36 3.53 -0.00 1.61 2.20 -1.16 -5.08 119.74 120.48 1nm3 s LYS 228 Ca 0.00 -0.05 -0.27 0.00 -0.36 0.00 0.00 55.97 55.29 1nm3 s LYS 228 Cb 0.00 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1nm3 s LYS 228 CO 0.00 0.75 0.85 -1.58 -0.36 0.00 0.00 175.35 175.02 1nm3 s HIS 229 N -1.00 3.66 -0.17 4.03 5.65 -1.26 -1.30 115.29 124.90 1nm3 s HIS 229 Ca 0.16 1.53 0.03 0.00 0.25 0.00 0.00 55.06 57.03 1nm3 s HIS 229 Cb -0.13 -2.96 -0.12 0.00 -1.18 0.00 0.00 32.58 28.19 1nm3 s HIS 229 CO 0.05 0.09 -0.12 -0.89 -0.65 0.00 0.00 174.74 173.22 1nm3 n ILE 230 N 3.55 0.99 0.00 0.89 -0.00 0.12 -4.95 119.36 119.96 1nm3 n ILE 230 Ca 0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 1nm3 n ILE 230 Cb 0.51 -1.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.10 1nm3 n ILE 230 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1nm3 n GLY 231 N 2.58 0.20 1.48 7.39 0.00 -1.14 -4.58 105.19 111.12 1nm3 n GLY 231 Ca -0.30 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1nm3 n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nm3 n GLY 232 N 0.00 3.79 0.31 -0.02 0.00 -1.22 0.50 105.19 108.55 1nm3 n GLY 232 Ca 0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 1nm3 n GLY 232 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nm3 n SER 233 N -1.62 -0.69 0.02 1.61 3.41 -1.26 -0.27 113.62 114.83 1nm3 n SER 233 Ca -0.04 1.36 -0.07 0.00 -0.26 0.00 0.00 58.87 59.86 1nm3 n SER 233 Cb 0.27 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1nm3 n SER 233 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nm3 h ASP 234 N 0.00 -0.70 -0.78 4.04 3.45 -1.96 -2.84 116.42 117.64 1nm3 h ASP 234 Ca 0.18 0.08 0.15 0.00 0.43 0.00 0.00 57.03 57.87 1nm3 h ASP 234 Cb 0.38 0.26 -0.15 0.00 -0.56 0.00 0.00 39.33 39.26 1nm3 h ASP 234 CO -0.74 -0.22 -0.24 0.44 -1.57 0.00 0.00 179.24 176.91 1nm3 h ASP 235 N -0.28 -0.87 -0.15 6.45 3.45 -0.93 -1.66 116.42 122.43 1nm3 h ASP 235 Ca 0.00 0.24 0.04 0.00 0.43 0.00 0.00 57.03 57.75 1nm3 h ASP 235 Cb 0.30 0.53 -0.07 0.00 -0.56 0.00 0.00 39.33 39.54 1nm3 h ASP 235 CO -0.15 -0.27 -0.46 0.25 -1.57 0.00 0.00 179.24 177.04 1nm3 h LEU 236 N -0.03 -1.45 -0.99 1.55 5.85 -0.75 -0.22 115.31 119.27 1nm3 h LEU 236 Ca 0.35 0.19 0.34 0.00 0.84 0.00 0.00 57.88 59.60 1nm3 h LEU 236 Cb 0.58 0.58 -0.16 0.00 0.37 0.00 0.00 40.66 42.03 1nm3 h LEU 236 CO -0.81 -0.44 0.52 -0.33 -0.34 0.00 0.00 178.44 177.04 1nm3 h GLU 237 N -0.51 0.21 -0.16 1.25 5.08 -1.10 0.61 114.58 119.96 1nm3 h GLU 237 Ca 0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1nm3 h GLU 237 Cb 0.65 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1nm3 h GLU 237 CO -0.42 0.14 0.08 0.87 -1.00 0.00 0.00 179.01 178.67 1nm3 h LYS 238 N 0.22 0.23 -0.94 2.33 1.57 -0.91 -2.80 116.57 116.27 1nm3 h LYS 238 Ca 0.75 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.54 1nm3 h LYS 238 Cb 1.78 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.99 1nm3 h LYS 238 CO -0.66 0.28 0.62 -0.92 -0.57 0.00 0.00 179.45 178.19 1nm3 h TYR 239 N 0.13 1.13 -1.66 -1.35 3.20 0.61 -3.05 116.97 115.98 1nm3 h TYR 239 Ca 0.05 0.03 -0.77 0.00 3.14 0.00 0.00 58.73 61.19 1nm3 h TYR 239 Cb 0.13 -0.38 -0.19 0.00 1.54 0.00 0.00 36.73 37.83 1nm3 h TYR 239 CO -0.03 0.63 1.71 1.19 -1.64 0.00 0.00 178.16 180.03 1nm3 n PHE 240 N -4.46 2.66 -0.52 -3.82 0.99 0.07 -5.12 117.46 107.26 1nm3 n PHE 240 Ca 0.13 -2.67 0.00 0.00 -0.00 0.00 0.00 57.45 54.91 1nm3 n PHE 240 Cb 0.13 -1.52 0.00 0.00 -1.00 0.00 0.00 39.48 37.09 1nm3 n PHE 240 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76