#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t95 h LYS 12 N 0.00 0.00 -7.23 0.11 1.57 -2.05 -3.47 116.57 105.50 1t95 h LYS 12 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1t95 h LYS 12 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1t95 h LYS 12 CO 0.00 0.74 0.38 0.00 -0.57 0.00 0.00 179.45 180.00 1t95 s ALA 13 N -2.80 3.00 0.24 3.86 0.00 -1.26 -4.67 121.76 120.14 1t95 s ALA 13 Ca 0.01 0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.24 1t95 s ALA 13 Cb 0.09 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1t95 s ALA 13 CO 0.79 -0.45 -0.18 0.14 0.00 0.00 0.00 175.76 176.06 1t95 s VAL 14 N -2.71 2.19 -0.07 0.00 -7.23 -0.12 -4.89 120.40 107.57 1t95 s VAL 14 Ca 0.59 -2.28 -0.25 0.00 -1.81 0.00 0.00 61.98 58.23 1t95 s VAL 14 Cb -0.11 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1t95 s VAL 14 CO 0.37 -0.43 0.78 -0.63 -0.31 0.00 0.00 175.10 174.88 1t95 s ILE 15 N -2.55 4.99 -0.10 -0.62 1.01 -1.26 -1.16 121.20 121.51 1t95 s ILE 15 Ca 0.26 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.47 1t95 s ILE 15 Cb -0.04 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1t95 s ILE 15 CO 0.11 0.20 0.06 0.00 0.00 0.00 0.00 174.94 175.32 1t95 s ALA 16 N 1.02 3.55 0.02 9.38 0.00 0.09 -0.74 121.76 135.08 1t95 s ALA 16 Ca 0.41 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1t95 s ALA 16 Cb -0.18 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 1t95 s ALA 16 CO 0.20 0.60 -0.07 0.50 0.00 0.00 0.00 175.76 176.98 1t95 s ARG 17 N -0.94 0.54 -0.13 0.00 3.52 -0.39 -1.03 118.95 120.53 1t95 s ARG 17 Ca 0.14 -0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1t95 s ARG 17 Cb -0.12 -0.46 0.05 0.00 -1.56 0.00 0.00 34.95 32.87 1t95 s ARG 17 CO 0.03 0.11 0.30 -1.17 -0.81 0.00 0.00 175.30 173.77 1t95 s LEU 18 N -0.71 0.11 -0.23 -0.88 2.96 -0.23 -0.60 118.68 119.10 1t95 s LEU 18 Ca -0.02 0.66 -0.18 0.00 -0.22 0.00 0.00 54.13 54.38 1t95 s LEU 18 Cb -0.05 0.93 -0.03 0.00 0.50 0.00 0.00 46.19 47.54 1t95 s LEU 18 CO 0.00 -0.19 0.51 -0.60 -1.32 0.00 0.00 176.35 174.75 1t95 s ARG 19 N 1.55 4.13 -0.09 1.98 3.52 -1.26 -1.31 118.95 127.47 1t95 s ARG 19 Ca -0.07 0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.84 1t95 s ARG 19 Cb -0.10 -3.60 0.05 0.00 -1.56 0.00 0.00 34.95 29.74 1t95 s ARG 19 CO -0.10 -0.23 0.19 0.21 -0.81 0.00 0.00 175.30 174.56 1t95 s LYS 20 N 1.92 0.10 -1.23 5.12 2.20 -0.31 -4.92 119.74 122.63 1t95 s LYS 20 Ca 0.22 0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 56.34 1t95 s LYS 20 Cb -0.15 -0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.00 1t95 s LYS 20 CO 0.09 -0.25 0.79 0.41 -0.36 0.00 0.00 175.35 176.03 1t95 n GLY 21 N 4.94 -0.32 2.37 5.54 0.00 -1.26 -2.35 105.19 114.10 1t95 n GLY 21 Ca -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1t95 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t95 n GLY 22 N -1.62 0.64 3.17 -0.02 0.00 -1.26 -5.03 105.19 101.06 1t95 n GLY 22 Ca -0.04 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 1t95 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t95 s GLU 23 N -1.71 0.81 -0.08 1.61 0.41 -0.99 -5.15 118.70 113.60 1t95 s GLU 23 Ca 0.00 -1.03 -0.12 0.00 -0.41 0.00 0.00 54.97 53.41 1t95 s GLU 23 Cb 0.00 -0.65 -0.05 0.00 -1.78 0.00 0.00 34.13 31.65 1t95 s GLU 23 CO 0.00 0.13 0.29 -1.21 -0.49 0.00 0.00 175.26 173.98 1t95 s GLU 24 N -2.20 3.85 -0.01 1.61 0.41 -1.26 -1.16 118.70 119.92 1t95 s GLU 24 Ca 0.01 0.15 0.02 0.00 -0.41 0.00 0.00 54.97 54.74 1t95 s GLU 24 Cb -0.07 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 1t95 s GLU 24 CO 0.01 0.61 -0.06 -0.06 -0.49 0.00 0.00 175.26 175.27 1t95 s PHE 25 N -0.67 0.63 0.02 1.61 0.08 -0.43 -4.38 117.98 114.83 1t95 s PHE 25 Ca 0.19 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.14 1t95 s PHE 25 Cb -0.14 -0.45 -0.01 0.00 -0.57 0.00 0.00 43.02 41.84 1t95 s PHE 25 CO 0.08 -0.05 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.85 1t95 s GLU 26 N 0.12 0.64 0.19 0.44 2.02 0.86 -1.07 118.70 121.90 1t95 s GLU 26 Ca -0.01 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.51 1t95 s GLU 26 Cb -0.06 -0.57 -0.05 0.00 0.10 0.00 0.00 34.13 33.56 1t95 s GLU 26 CO -0.00 0.14 -0.08 0.14 0.02 0.00 0.00 175.26 175.48 1t95 s VAL 27 N -0.67 1.25 -0.22 2.63 -7.23 -0.19 -0.19 120.40 115.79 1t95 s VAL 27 Ca -0.01 -2.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.06 1t95 s VAL 27 Cb -0.06 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.84 1t95 s VAL 27 CO 0.00 -0.58 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.36 1t95 s LEU 28 N -3.25 2.75 0.06 1.32 1.43 -1.26 -0.73 118.68 119.01 1t95 s LEU 28 Ca 0.22 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1t95 s LEU 28 Cb 0.03 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1t95 s LEU 28 CO 0.04 -0.04 -0.07 0.68 0.23 0.00 0.00 176.35 177.20 1t95 s VAL 29 N 1.39 0.55 -0.09 -1.59 -7.23 -0.31 -0.76 120.40 112.35 1t95 s VAL 29 Ca 0.04 -1.49 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 1t95 s VAL 29 Cb -0.14 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 1t95 s VAL 29 CO -0.06 -0.65 1.49 -0.62 -0.31 0.00 0.00 175.10 174.95 1t95 s ASP 30 N -2.29 6.78 0.47 4.85 -1.08 0.91 -0.94 116.67 125.37 1t95 s ASP 30 Ca 0.00 2.03 0.20 0.00 -0.52 0.00 0.00 52.55 54.25 1t95 s ASP 30 Cb -0.02 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 40.05 1t95 s ASP 30 CO -0.03 -0.85 2.00 1.55 0.52 0.00 0.00 175.17 178.36 1t95 h PRO 31 N 8.91 0.00 0.14 4.34 0.13 -1.90 -0.94 132.00 142.68 1t95 h PRO 31 Ca -0.34 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.52 1t95 h PRO 31 Cb 1.15 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.31 1t95 h PRO 31 CO 0.96 0.19 -1.15 1.88 -0.23 0.00 0.00 178.00 179.65 1t95 h TYR 32 N 0.00 0.88 -0.32 1.56 0.05 -1.97 -1.71 116.97 115.46 1t95 h TYR 32 Ca -0.00 -0.58 -0.11 0.00 0.05 0.00 0.00 58.73 58.09 1t95 h TYR 32 Cb 0.38 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1t95 h TYR 32 CO 0.00 1.43 -0.25 -0.07 -1.05 0.00 0.00 178.16 178.22 1t95 h LEU 33 N 0.08 0.64 -0.55 3.88 3.38 -1.91 -1.66 115.31 119.18 1t95 h LEU 33 Ca -0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1t95 h LEU 33 Cb 1.86 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 1t95 h LEU 33 CO 0.22 0.88 0.32 0.00 0.09 0.00 0.00 178.44 179.94 1t95 h ALA 34 N 1.17 0.70 -0.42 1.53 0.00 -1.19 -0.68 119.26 120.37 1t95 h ALA 34 Ca 0.08 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1t95 h ALA 34 Cb 0.73 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1t95 h ALA 34 CO 0.06 0.20 0.13 -0.09 0.00 0.00 0.00 179.25 179.54 1t95 h ARG 35 N 0.73 0.27 -0.61 0.00 1.12 -1.09 -2.08 114.38 112.72 1t95 h ARG 35 Ca 0.19 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.10 1t95 h ARG 35 Cb 0.01 -0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 29.86 1t95 h ARG 35 CO -0.03 0.18 0.33 -0.44 -3.11 0.00 0.00 179.97 176.89 1t95 h ASP 36 N 0.28 0.48 -0.54 -3.80 3.32 -0.79 -1.81 116.42 113.56 1t95 h ASP 36 Ca 0.20 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1t95 h ASP 36 Cb 0.21 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1t95 h ASP 36 CO -0.22 0.32 0.35 0.25 -1.72 0.00 0.00 179.24 178.22 1t95 h LEU 37 N 0.62 0.62 -1.60 1.55 5.85 -0.89 -0.42 115.31 121.04 1t95 h LEU 37 Ca 0.27 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1t95 h LEU 37 Cb 0.17 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1t95 h LEU 37 CO -0.17 0.46 -0.20 0.11 -0.34 0.00 0.00 178.44 178.29 1t95 h LYS 38 N 0.73 0.00 0.00 1.25 1.57 -0.79 -1.03 116.57 118.30 1t95 h LYS 38 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1t95 h LYS 38 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1t95 h LYS 38 CO -0.04 0.20 0.00 0.93 -0.57 0.00 0.00 179.45 179.97 1t95 h GLU 39 N 0.00 0.00 0.00 3.15 5.08 -0.97 -3.44 114.58 118.41 1t95 h GLU 39 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t95 h GLU 39 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1t95 h GLU 39 CO 0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1t95 n GLY 40 N 0.42 0.90 3.85 -3.84 0.00 -0.39 -4.32 105.19 101.82 1t95 n GLY 40 Ca 0.03 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1t95 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t95 s LYS 41 N -0.61 3.81 0.14 1.61 1.02 -0.20 -5.01 119.74 120.50 1t95 s LYS 41 Ca 0.00 0.85 -0.30 0.00 0.02 0.00 0.00 55.97 56.54 1t95 s LYS 41 Cb 0.00 -2.13 -0.07 0.00 -0.52 0.00 0.00 37.83 35.11 1t95 s LYS 41 CO 0.00 -0.37 1.10 -1.21 -0.92 0.00 0.00 175.35 173.95 1t95 s GLU 42 N -4.47 4.57 0.00 1.68 0.41 -1.26 -4.44 118.70 115.20 1t95 s GLU 42 Ca 0.57 1.68 0.05 0.00 -0.41 0.00 0.00 54.97 56.85 1t95 s GLU 42 Cb -0.10 -3.31 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 1t95 s GLU 42 CO 0.40 0.02 -0.15 0.08 -0.49 0.00 0.00 175.26 175.12 1t95 s VAL 43 N 0.11 1.15 -0.62 2.63 1.01 -1.26 -4.95 120.40 118.46 1t95 s VAL 43 Ca 0.51 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 1t95 s VAL 43 Cb -0.28 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1t95 s VAL 43 CO 0.33 0.25 1.17 0.21 0.00 0.00 0.00 175.10 177.07 1t95 s ASN 44 N -0.52 6.34 0.54 3.32 3.84 -1.26 -4.92 114.94 122.27 1t95 s ASN 44 Ca 0.05 -0.16 0.20 0.00 0.21 0.00 0.00 52.86 53.16 1t95 s ASN 44 Cb -0.06 -2.53 1.43 0.00 -0.55 0.00 0.00 41.25 39.54 1t95 s ASN 44 CO -0.00 -1.55 2.16 -0.26 -2.79 0.00 0.00 177.10 174.67 1t95 h PHE 45 N 9.65 0.00 -0.16 0.43 -1.00 -1.98 -1.28 116.94 122.60 1t95 h PHE 45 Ca -0.26 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.49 1t95 h PHE 45 Cb 1.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 1t95 h PHE 45 CO 1.04 0.00 -0.03 0.93 -1.61 0.00 0.00 178.31 178.64 1t95 h GLU 46 N 0.00 0.23 0.18 1.51 4.39 -1.91 -2.00 114.58 116.99 1t95 h GLU 46 Ca 0.02 -0.04 -0.33 0.00 0.34 0.00 0.00 59.36 59.35 1t95 h GLU 46 Cb 0.09 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1t95 h GLU 46 CO -0.00 0.28 -1.60 -0.44 -1.16 0.00 0.00 179.01 176.09 1t95 h ASP 47 N 0.22 0.61 -0.08 1.42 3.32 -1.78 -3.38 116.42 116.75 1t95 h ASP 47 Ca 0.05 -0.80 -0.00 0.00 0.02 0.00 0.00 57.03 56.30 1t95 h ASP 47 Cb 0.21 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1t95 h ASP 47 CO 0.01 1.66 0.05 0.25 -1.72 0.00 0.00 179.24 179.48 1t95 h LEU 48 N 0.11 0.10 -9.13 1.55 5.85 -0.99 -3.42 115.31 109.38 1t95 h LEU 48 Ca -0.28 -0.06 -0.58 0.00 0.84 0.00 0.00 57.88 57.79 1t95 h LEU 48 Cb 2.09 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 43.03 1t95 h LEU 48 CO 0.20 0.13 0.54 -0.76 -0.34 0.00 0.00 178.44 178.22 1t95 s LEU 49 N -10.06 4.15 0.45 2.25 1.43 -0.77 -0.06 118.68 116.06 1t95 s LEU 49 Ca -0.13 1.26 0.24 0.00 -1.03 0.00 0.00 54.13 54.46 1t95 s LEU 49 Cb 0.06 -3.36 1.00 0.00 0.03 0.00 0.00 46.19 43.93 1t95 s LEU 49 CO 0.68 -0.50 1.87 0.00 0.23 0.00 0.00 176.35 178.63 1t95 h ALA 50 N 7.40 1.09 -3.06 4.21 0.00 -1.21 -3.45 119.26 124.24 1t95 h ALA 50 Ca -0.26 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 1t95 h ALA 50 Cb 1.11 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.61 1t95 h ALA 50 CO 0.88 0.29 -0.43 0.00 0.00 0.00 0.00 179.25 179.99 1t95 s ALA 51 N -3.79 -0.57 -1.26 0.00 0.00 -1.25 -5.07 121.76 109.81 1t95 s ALA 51 Ca -0.00 0.55 -0.07 0.00 0.00 0.00 0.00 51.96 52.44 1t95 s ALA 51 Cb 0.11 -0.29 0.17 0.00 0.00 0.00 0.00 23.12 23.11 1t95 s ALA 51 CO 0.63 -0.14 2.04 -1.91 0.00 0.00 0.00 175.76 176.38 1t95 n GLU 52 N 2.64 4.24 -3.77 0.00 2.13 -1.26 -4.74 120.64 119.89 1t95 n GLU 52 Ca -0.15 -3.69 -0.13 0.00 0.66 0.00 0.00 57.16 53.85 1t95 n GLU 52 Cb 0.58 -2.73 -0.09 0.00 0.27 0.00 0.00 31.44 29.47 1t95 n GLU 52 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1t95 s GLU 53 N -0.92 0.63 -0.18 5.31 0.41 -1.26 -4.99 118.70 117.70 1t95 s GLU 53 Ca 0.44 -0.15 -0.07 0.00 -0.41 0.00 0.00 54.97 54.78 1t95 s GLU 53 Cb 0.13 0.28 -0.04 0.00 -1.78 0.00 0.00 34.13 32.72 1t95 s GLU 53 CO -0.03 -0.17 0.06 0.08 -0.49 0.00 0.00 175.26 174.71 1t95 s VAL 54 N -1.21 4.73 0.08 2.63 1.01 -1.26 -4.71 120.40 121.67 1t95 s VAL 54 Ca -0.13 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1t95 s VAL 54 Cb -0.05 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1t95 s VAL 54 CO 0.04 0.46 0.14 -0.36 0.00 0.00 0.00 175.10 175.37 1t95 s PHE 55 N 0.43 3.32 -0.03 5.22 0.08 0.74 -0.38 117.98 127.36 1t95 s PHE 55 Ca 0.03 0.14 0.12 0.00 0.12 0.00 0.00 56.93 57.34 1t95 s PHE 55 Cb -0.13 -1.67 -0.14 0.00 -0.57 0.00 0.00 43.02 40.51 1t95 s PHE 55 CO 0.01 0.55 1.07 0.87 -0.10 0.00 0.00 175.22 177.61 1t95 h LYS 56 N 3.13 0.00 -0.93 0.44 1.79 -1.10 0.24 116.57 120.14 1t95 h LYS 56 Ca -0.46 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1t95 h LYS 56 Cb 1.16 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.61 1t95 h LYS 56 CO 0.70 0.62 -0.37 0.34 -1.08 0.00 0.00 179.45 179.65 1t95 s ASP 57 N -6.31 -1.49 0.17 0.86 -1.08 -1.03 -4.59 116.67 103.20 1t95 s ASP 57 Ca -0.01 -0.15 -0.08 0.00 -0.52 0.00 0.00 52.55 51.79 1t95 s ASP 57 Cb 0.09 1.92 0.04 0.00 -1.46 0.00 0.00 42.92 43.51 1t95 s ASP 57 CO 0.80 -0.24 1.53 0.00 0.52 0.00 0.00 175.17 177.78 1t95 h ALA 58 N 7.54 0.68 -0.50 3.66 0.00 -1.88 -1.14 119.26 127.62 1t95 h ALA 58 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1t95 h ALA 58 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1t95 h ALA 58 CO 0.11 0.67 0.23 0.87 0.00 0.00 0.00 179.25 181.13 1t95 h LYS 59 N 0.71 0.70 -0.01 0.00 1.57 -1.96 -0.98 116.57 116.60 1t95 h LYS 59 Ca 0.07 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1t95 h LYS 59 Cb 0.92 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1t95 h LYS 59 CO 0.08 0.56 -0.05 1.63 -0.57 0.00 0.00 179.45 181.11 1t95 n LYS 60 N -4.37 1.25 -1.49 3.15 5.02 -1.09 -4.95 118.16 115.67 1t95 n LYS 60 Ca 0.04 -0.56 -0.17 0.00 -2.02 0.00 0.00 58.31 55.60 1t95 n LYS 60 Cb 0.13 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.58 1t95 n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t95 n GLY 61 N 1.17 1.68 3.57 0.72 0.00 -0.37 -4.95 105.19 107.01 1t95 n GLY 61 Ca 0.19 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1t95 n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t95 s GLU 62 N -3.44 3.28 0.34 1.61 2.12 -0.52 -4.99 118.70 117.10 1t95 s GLU 62 Ca 0.00 0.22 -0.26 0.00 0.36 0.00 0.00 54.97 55.29 1t95 s GLU 62 Cb 0.00 -4.13 -0.10 0.00 0.26 0.00 0.00 34.13 30.16 1t95 s GLU 62 CO 0.00 -1.99 0.97 1.03 -0.54 0.00 0.00 175.26 174.74 1t95 s ARG 63 N 5.53 4.50 0.20 4.30 0.52 -1.26 -0.67 118.95 132.08 1t95 s ARG 63 Ca 0.46 1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 56.75 1t95 s ARG 63 Cb -0.09 -2.75 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 1t95 s ARG 63 CO 0.22 0.19 1.02 0.00 0.02 0.00 0.00 175.30 176.75 1t95 s ALA 64 N -1.62 3.34 0.59 2.13 0.00 0.49 -4.63 121.76 122.05 1t95 s ALA 64 Ca 0.52 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 1t95 s ALA 64 Cb -0.20 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1t95 s ALA 64 CO 0.25 -0.03 1.02 -1.54 0.00 0.00 0.00 175.76 175.47 1t95 s SER 65 N -0.58 6.17 0.25 0.00 1.04 -1.26 -4.83 113.70 114.49 1t95 s SER 65 Ca 0.45 1.58 -0.06 0.00 0.48 0.00 0.00 55.95 58.41 1t95 s SER 65 Cb -0.28 -2.50 0.28 0.00 0.10 0.00 0.00 66.02 63.63 1t95 s SER 65 CO 0.34 -0.90 1.92 0.58 0.98 0.00 0.00 173.24 176.15 1t95 h VAL 66 N 0.25 1.22 -0.53 5.02 2.07 -1.98 -1.83 116.25 120.47 1t95 h VAL 66 Ca -0.46 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 1t95 h VAL 66 Cb 1.20 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1t95 h VAL 66 CO 0.60 0.24 -0.03 0.44 0.02 0.00 0.00 177.57 178.84 1t95 h ASP 67 N 1.30 0.94 -0.29 0.57 5.19 -1.99 -1.11 116.42 121.03 1t95 h ASP 67 Ca 0.38 -0.32 -0.09 0.00 -0.62 0.00 0.00 57.03 56.38 1t95 h ASP 67 Cb -0.08 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.16 1t95 h ASP 67 CO -0.10 1.03 -0.12 -0.08 -3.12 0.00 0.00 179.24 176.85 1t95 h GLU 68 N 0.82 0.72 -0.01 3.56 4.81 -1.90 -1.89 114.58 120.68 1t95 h GLU 68 Ca 0.15 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1t95 h GLU 68 Cb 0.57 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1t95 h GLU 68 CO 0.03 0.82 0.00 -0.07 -0.73 0.00 0.00 179.01 179.06 1t95 h LEU 69 N 0.65 0.02 -0.82 1.64 3.38 -0.97 -1.26 115.31 117.95 1t95 h LEU 69 Ca 0.11 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1t95 h LEU 69 Cb 0.59 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1t95 h LEU 69 CO 0.04 0.25 0.44 0.03 0.09 0.00 0.00 178.44 179.29 1t95 h ARG 70 N -0.21 0.69 0.03 1.13 3.08 -1.13 0.16 114.38 118.14 1t95 h ARG 70 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1t95 h ARG 70 Cb 0.23 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1t95 h ARG 70 CO 0.00 0.46 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.12 1t95 h LYS 71 N 0.71 -0.04 0.15 0.04 3.64 -1.12 -1.70 116.57 118.26 1t95 h LYS 71 Ca 0.41 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.52 1t95 h LYS 71 Cb 0.45 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1t95 h LYS 71 CO -0.29 0.11 -1.32 0.82 -2.27 0.00 0.00 179.45 176.50 1t95 h ILE 72 N -0.18 1.16 0.00 2.00 1.08 -1.06 -3.39 117.51 117.13 1t95 h ILE 72 Ca -0.00 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.98 1t95 h ILE 72 Cb 0.16 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.79 1t95 h ILE 72 CO 0.01 0.74 -1.49 0.49 -0.69 0.00 0.00 178.15 177.21 1t95 n PHE 73 N -3.90 0.08 -1.00 1.37 3.72 0.55 -4.98 117.46 113.30 1t95 n PHE 73 Ca -0.21 0.02 -0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1t95 n PHE 73 Cb 0.93 -0.35 -0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1t95 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t95 n GLY 74 N 1.35 0.47 3.46 1.37 0.00 -0.64 -4.97 105.19 106.23 1t95 n GLY 74 Ca -0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 1t95 n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1t95 s THR 75 N -1.99 0.00 -1.27 2.61 -1.32 -1.25 -4.95 115.64 107.46 1t95 s THR 75 Ca 0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.65 1t95 s THR 75 Cb 0.00 -1.00 0.53 0.00 -1.51 0.00 0.00 72.50 70.52 1t95 s THR 75 CO 0.00 0.00 1.45 -0.90 -2.21 0.00 0.00 174.62 172.96 1t95 n ASP 76 N -0.08 3.75 -4.62 8.08 5.68 -1.26 -3.22 116.55 124.87 1t95 n ASP 76 Ca -0.15 -2.17 -0.43 0.00 -0.50 0.00 0.00 54.79 51.53 1t95 n ASP 76 Cb 0.63 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 1t95 n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1t95 s ASP 77 N -1.05 6.59 0.25 -1.12 2.15 -1.26 -4.89 116.67 117.33 1t95 s ASP 77 Ca 0.40 0.94 -0.06 0.00 0.43 0.00 0.00 52.55 54.26 1t95 s ASP 77 Cb 0.23 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.57 1t95 s ASP 77 CO 0.23 -1.20 1.92 0.58 -0.17 0.00 0.00 175.17 176.53 1t95 h VAL 78 N 6.14 1.24 -0.39 1.11 2.07 -1.94 -1.98 116.25 122.50 1t95 h VAL 78 Ca -0.25 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1t95 h VAL 78 Cb 1.09 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1t95 h VAL 78 CO 1.07 0.24 0.26 -0.26 0.02 0.00 0.00 177.57 178.90 1t95 h PHE 79 N 1.33 0.49 -0.38 1.57 -1.00 -1.97 0.16 116.94 117.13 1t95 h PHE 79 Ca 0.37 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 61.05 1t95 h PHE 79 Cb -0.13 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.25 1t95 h PHE 79 CO -0.00 0.31 -0.19 1.49 -1.61 0.00 0.00 178.31 178.31 1t95 h GLU 80 N 0.53 0.73 -0.13 1.51 4.81 -1.89 -1.16 114.58 118.98 1t95 h GLU 80 Ca 0.14 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1t95 h GLU 80 Cb -0.06 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1t95 h GLU 80 CO -0.03 0.87 -0.40 0.82 -0.73 0.00 0.00 179.01 179.54 1t95 h ILE 81 N 0.64 1.37 -0.97 2.32 2.04 -0.97 -2.27 117.51 119.67 1t95 h ILE 81 Ca 0.10 -1.70 0.17 0.00 1.00 0.00 0.00 64.86 64.43 1t95 h ILE 81 Cb 0.68 2.10 -0.10 0.00 -0.74 0.00 0.00 36.82 38.75 1t95 h ILE 81 CO 0.05 0.51 0.57 0.00 0.00 0.00 0.00 178.15 179.28 1t95 h ALA 82 N 0.51 1.56 -0.44 1.87 0.00 -0.65 -0.73 119.26 121.38 1t95 h ALA 82 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1t95 h ALA 82 Cb 1.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1t95 h ALA 82 CO 0.08 -0.03 0.22 -0.09 0.00 0.00 0.00 179.25 179.43 1t95 h ARG 83 N 0.75 0.63 -0.57 0.00 2.43 -0.88 -0.72 114.38 116.03 1t95 h ARG 83 Ca 0.54 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.56 1t95 h ARG 83 Cb 0.80 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1t95 h ARG 83 CO -0.37 0.54 0.11 -0.22 -1.51 0.00 0.00 179.97 178.53 1t95 h LYS 84 N 0.57 0.92 -0.69 0.20 3.64 -0.84 -0.93 116.57 119.44 1t95 h LYS 84 Ca 0.15 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1t95 h LYS 84 Cb 0.11 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1t95 h LYS 84 CO -0.02 0.87 0.38 0.82 -2.27 0.00 0.00 179.45 179.23 1t95 h ILE 85 N 0.82 1.21 -0.09 2.00 2.04 -0.77 0.17 117.51 122.89 1t95 h ILE 85 Ca 0.17 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1t95 h ILE 85 Cb 0.38 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1t95 h ILE 85 CO 0.01 0.24 -0.15 0.40 0.00 0.00 0.00 178.15 178.65 1t95 h ILE 86 N 0.95 1.39 -0.28 -0.67 2.04 -0.93 0.11 117.51 120.12 1t95 h ILE 86 Ca 0.24 -1.41 -0.12 0.00 1.00 0.00 0.00 64.86 64.58 1t95 h ILE 86 Cb 0.04 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1t95 h ILE 86 CO -0.04 0.40 -0.31 -0.07 0.00 0.00 0.00 178.15 178.13 1t95 h LEU 87 N -0.20 0.60 0.00 1.44 3.38 -1.09 -3.32 115.31 116.12 1t95 h LEU 87 Ca 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1t95 h LEU 87 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1t95 h LEU 87 CO 0.03 0.88 -1.08 -0.62 0.09 0.00 0.00 178.44 177.75 1t95 n GLU 88 N -4.08 1.24 0.00 1.13 1.02 0.58 -4.99 120.64 115.55 1t95 n GLU 88 Ca -0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1t95 n GLU 88 Cb 0.46 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1t95 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t95 n GLY 89 N 1.43 2.87 3.18 0.62 0.00 0.37 -5.02 105.19 108.64 1t95 n GLY 89 Ca 0.01 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1t95 n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t95 s GLU 90 N 3.18 3.04 -0.26 1.61 2.12 0.23 -4.92 118.70 123.70 1t95 s GLU 90 Ca 0.00 -0.85 -0.18 0.00 0.36 0.00 0.00 54.97 54.30 1t95 s GLU 90 Cb 0.00 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1t95 s GLU 90 CO 0.00 -0.01 0.54 0.08 -0.54 0.00 0.00 175.26 175.33 1t95 s VAL 91 N 0.81 5.05 -1.35 3.70 1.01 -1.26 -1.27 120.40 127.09 1t95 s VAL 91 Ca -0.07 0.94 -0.10 0.00 0.00 0.00 0.00 61.98 62.76 1t95 s VAL 91 Cb -0.16 -3.85 0.11 0.00 0.00 0.00 0.00 36.38 32.49 1t95 s VAL 91 CO -0.02 0.08 2.11 0.00 0.00 0.00 0.00 175.10 177.27 1t95 n GLN 92 N 5.55 3.64 -1.83 2.72 6.02 0.08 -4.98 117.38 128.56 1t95 n GLN 92 Ca -0.03 -3.23 -0.32 0.00 -0.01 0.00 0.00 57.00 53.41 1t95 n GLN 92 Cb 0.50 -2.94 0.03 0.00 1.02 0.00 0.00 30.24 28.85 1t95 n GLN 92 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1t95 s ILE 93 N 0.82 3.74 0.75 5.09 -4.36 -1.26 -4.55 121.20 121.44 1t95 s ILE 93 Ca 0.46 0.74 -0.11 0.00 -0.26 0.00 0.00 60.65 61.48 1t95 s ILE 93 Cb 0.13 -3.31 0.04 0.00 1.25 0.00 0.00 42.46 40.57 1t95 s ILE 93 CO -0.04 -0.57 1.08 0.42 0.24 0.00 0.00 174.94 176.07 1t95 s THR 94 N -2.61 3.54 0.36 8.37 -4.23 -1.26 -4.85 115.64 114.97 1t95 s THR 94 Ca 0.63 0.50 0.12 0.00 -1.18 0.00 0.00 61.69 61.76 1t95 s THR 94 Cb -0.16 -3.15 0.34 0.00 1.34 0.00 0.00 72.50 70.87 1t95 s THR 94 CO 0.43 -0.65 1.80 0.00 -0.54 0.00 0.00 174.62 175.66 1t95 h ALA 95 N -0.97 1.95 0.22 3.99 0.00 -1.99 -0.38 119.26 122.08 1t95 h ALA 95 Ca -0.45 0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.19 1t95 h ALA 95 Cb 1.23 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.00 1t95 h ALA 95 CO 0.56 -0.30 -1.44 0.93 0.00 0.00 0.00 179.25 178.99 1t95 h GLU 96 N 0.58 0.46 -0.34 0.00 3.07 -1.99 -1.57 114.58 114.79 1t95 h GLU 96 Ca 0.54 -0.79 0.03 0.00 -0.50 0.00 0.00 59.36 58.65 1t95 h GLU 96 Cb 1.09 0.29 -0.03 0.00 -0.84 0.00 0.00 28.75 29.26 1t95 h GLU 96 CO -0.29 1.37 0.14 1.96 -1.40 0.00 0.00 179.01 180.79 1t95 h GLN 97 N 0.13 0.29 -0.09 2.33 4.20 -1.89 -1.64 115.11 118.44 1t95 h GLN 97 Ca -0.23 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.48 1t95 h GLN 97 Cb 2.12 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.81 1t95 h GLN 97 CO 0.25 0.20 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.48 1t95 h ARG 98 N 0.30 -0.03 -0.38 1.46 2.43 -1.00 -2.63 114.38 114.53 1t95 h ARG 98 Ca 0.15 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1t95 h ARG 98 Cb 0.10 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.59 1t95 h ARG 98 CO -0.13 -0.02 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.19 1t95 h ARG 99 N -0.03 0.07 -0.89 0.20 2.43 -1.29 0.69 114.38 115.56 1t95 h ARG 99 Ca 0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1t95 h ARG 99 Cb 0.10 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1t95 h ARG 99 CO -0.11 0.05 0.00 -1.91 -1.51 0.00 0.00 179.97 176.49 1t95 n GLU 100 N -5.22 0.21 0.00 0.20 2.13 -0.62 -1.13 120.64 116.21 1t95 n GLU 100 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1t95 n GLU 100 Cb 0.20 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1t95 n GLU 100 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1t95 n LEU 102 N 0.61 0.00 0.00 4.31 7.94 0.23 -1.53 117.00 128.57 1t95 n LEU 102 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1t95 n LEU 102 Cb 0.08 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.97 1t95 n LEU 102 CO 0.00 0.00 0.88 -0.08 -1.11 0.00 0.00 177.39 177.08 1t95 h GLU 103 N 0.00 0.11 -0.63 1.96 4.81 -1.37 -0.82 114.58 118.63 1t95 h GLU 103 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1t95 h GLU 103 Cb 0.00 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1t95 h GLU 103 CO 0.00 0.11 0.39 0.00 -0.73 0.00 0.00 179.01 178.78 1t95 h ALA 104 N 0.99 0.81 -0.46 2.92 0.00 -1.54 -2.09 119.26 119.89 1t95 h ALA 104 Ca 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1t95 h ALA 104 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1t95 h ALA 104 CO -0.01 0.15 -0.02 -0.22 0.00 0.00 0.00 179.25 179.15 1t95 h LYS 105 N 0.78 0.83 -0.48 0.00 1.63 -1.77 -1.96 116.57 115.60 1t95 h LYS 105 Ca 0.25 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1t95 h LYS 105 Cb 0.00 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 1t95 h LYS 105 CO -0.09 0.90 0.31 -0.09 -3.45 0.00 0.00 179.45 177.02 1t95 h ARG 106 N 0.68 0.61 -0.45 1.90 2.43 -1.13 -1.38 114.38 117.04 1t95 h ARG 106 Ca 0.13 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1t95 h ARG 106 Cb 0.53 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1t95 h ARG 106 CO 0.03 0.41 0.17 0.87 -1.51 0.00 0.00 179.97 179.93 1t95 h LYS 107 N 0.63 0.33 -0.44 0.20 1.57 -1.22 -1.45 116.57 116.18 1t95 h LYS 107 Ca 0.18 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1t95 h LYS 107 Cb -0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1t95 h LYS 107 CO -0.05 0.22 0.02 1.96 -0.57 0.00 0.00 179.45 181.03 1t95 h GLN 108 N 0.34 0.71 -0.29 3.15 4.20 -0.93 -1.19 115.11 121.10 1t95 h GLN 108 Ca 0.21 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1t95 h GLN 108 Cb 0.20 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1t95 h GLN 108 CO -0.21 0.71 0.04 0.82 -0.67 0.00 0.00 178.83 179.52 1t95 h ILE 109 N 0.67 1.24 -0.71 2.54 2.04 -1.02 -1.09 117.51 121.19 1t95 h ILE 109 Ca 0.14 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1t95 h ILE 109 Cb 0.39 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1t95 h ILE 109 CO 0.01 0.27 0.29 0.40 0.00 0.00 0.00 178.15 179.12 1t95 h ILE 110 N 0.30 1.24 -0.18 -0.67 2.04 -1.06 0.91 117.51 120.10 1t95 h ILE 110 Ca 0.09 -0.75 -0.21 0.00 1.00 0.00 0.00 64.86 64.99 1t95 h ILE 110 Cb 0.36 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1t95 h ILE 110 CO 0.01 0.30 -0.71 0.78 0.00 0.00 0.00 178.15 178.54 1t95 h ASN 111 N 1.00 0.89 -0.30 1.72 2.35 -1.16 -1.32 115.58 118.76 1t95 h ASN 111 Ca 0.24 -0.55 -0.06 0.00 -0.55 0.00 0.00 56.30 55.38 1t95 h ASN 111 Cb 0.19 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1t95 h ASN 111 CO -0.02 1.34 -0.04 0.15 -1.65 0.00 0.00 177.43 177.21 1t95 h PHE 112 N 0.54 0.61 -0.31 1.19 3.57 -0.90 -2.09 116.94 119.55 1t95 h PHE 112 Ca -0.03 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1t95 h PHE 112 Cb 1.32 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1t95 h PHE 112 CO 0.08 0.72 0.19 0.82 -2.23 0.00 0.00 178.31 177.90 1t95 h ILE 113 N 0.33 1.10 -0.79 1.41 2.04 -0.79 -1.05 117.51 119.75 1t95 h ILE 113 Ca 0.08 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1t95 h ILE 113 Cb 0.51 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1t95 h ILE 113 CO 0.02 0.10 0.51 -1.28 0.00 0.00 0.00 178.15 177.50 1t95 h SER 114 N 0.41 0.85 0.28 1.72 0.87 -1.14 -2.07 113.55 114.47 1t95 h SER 114 Ca 0.11 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.49 1t95 h SER 114 Cb -0.01 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1t95 h SER 114 CO -0.02 0.60 -0.70 0.03 -0.53 0.00 0.00 176.83 176.21 1t95 h ARG 115 N 1.01 0.37 -0.11 2.24 3.08 -1.31 -3.36 114.38 116.30 1t95 h ARG 115 Ca 0.31 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1t95 h ARG 115 Cb -0.03 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1t95 h ARG 115 CO -0.10 0.93 0.00 0.09 -1.07 0.00 0.00 179.97 179.82 1t95 n ASN 116 N -3.84 2.42 -4.46 7.04 4.13 -0.41 -3.30 115.26 116.84 1t95 n ASN 116 Ca -0.04 -1.69 -0.22 0.00 1.68 0.00 0.00 54.58 54.31 1t95 n ASN 116 Cb 0.69 -0.06 -0.10 0.00 -1.54 0.00 0.00 39.78 38.76 1t95 n ASN 116 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1t95 s THR 117 N -1.18 1.65 0.01 3.41 -4.23 -0.79 -3.70 115.64 110.80 1t95 s THR 117 Ca 0.20 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1t95 s THR 117 Cb 0.13 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 1t95 s THR 117 CO 0.19 -0.20 -0.06 0.27 -0.54 0.00 0.00 174.62 174.28 1t95 s ILE 118 N -3.00 0.43 -0.34 2.99 -4.36 -1.06 -3.86 121.20 112.01 1t95 s ILE 118 Ca 0.32 -0.42 -0.29 0.00 -0.26 0.00 0.00 60.65 60.00 1t95 s ILE 118 Cb 0.05 -0.40 -0.00 0.00 1.25 0.00 0.00 42.46 43.36 1t95 s ILE 118 CO 0.14 -0.00 1.51 -0.62 0.24 0.00 0.00 174.94 176.21 1t95 s ASP 119 N -0.46 6.31 0.00 4.36 -1.08 0.13 -2.14 116.67 123.79 1t95 s ASP 119 Ca -0.01 1.15 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 1t95 s ASP 119 Cb -0.04 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1t95 s ASP 119 CO -0.00 -1.39 0.14 -2.65 0.52 0.00 0.00 175.17 171.79 1t95 n PRO 120 N 7.94 0.00 -1.39 4.34 -0.02 -1.26 -1.86 135.00 142.74 1t95 n PRO 120 Ca 0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.35 1t95 n PRO 120 Cb 0.47 -1.22 0.09 0.00 -0.02 0.00 0.00 33.50 32.81 1t95 n PRO 120 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1t95 n ARG 121 N -0.55 2.74 0.00 -0.52 0.63 -1.26 -4.25 116.66 113.45 1t95 n ARG 121 Ca 0.00 -3.37 0.00 0.00 -0.92 0.00 0.00 57.85 53.56 1t95 n ARG 121 Cb 0.00 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1t95 n ARG 121 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1t95 n THR 122 N -0.92 0.00 -3.67 5.15 5.66 -0.78 -4.79 114.28 114.93 1t95 n THR 122 Ca 0.59 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.34 1t95 n THR 122 Cb 0.82 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.56 1t95 n THR 122 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1t95 n ASN 123 N 0.00 -1.57 -4.72 1.09 4.13 -1.10 -5.02 115.26 108.07 1t95 n ASN 123 Ca 0.00 -0.51 -0.24 0.00 1.68 0.00 0.00 54.58 55.51 1t95 n ASN 123 Cb 0.00 -1.42 -0.07 0.00 -1.54 0.00 0.00 39.78 36.75 1t95 n ASN 123 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1t95 s ALA 124 N -2.73 3.48 -0.04 5.41 0.00 -1.16 -4.81 121.76 121.91 1t95 s ALA 124 Ca 0.48 -1.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.41 1t95 s ALA 124 Cb -0.28 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1t95 s ALA 124 CO 0.59 -0.05 0.21 -1.25 0.00 0.00 0.00 175.76 175.26 1t95 s PRO 125 N -3.85 3.51 0.33 0.00 0.04 -1.26 0.20 135.00 133.97 1t95 s PRO 125 Ca 0.39 -0.15 -0.28 0.00 0.04 0.00 0.00 61.00 61.00 1t95 s PRO 125 Cb 0.01 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.33 1t95 s PRO 125 CO 0.22 0.70 1.13 -1.01 0.04 0.00 0.00 177.00 178.07 1t95 s HIS 126 N -1.22 3.38 0.65 0.56 3.76 -1.26 -4.94 115.29 116.22 1t95 s HIS 126 Ca 0.24 1.63 -0.18 0.00 -0.15 0.00 0.00 55.06 56.60 1t95 s HIS 126 Cb -0.13 -3.32 -0.02 0.00 1.11 0.00 0.00 32.58 30.22 1t95 s HIS 126 CO 0.13 -0.84 1.19 -0.35 -0.85 0.00 0.00 174.74 174.02 1t95 n PRO 127 N 0.75 1.00 -0.29 8.40 -0.04 -1.26 -4.75 135.00 138.80 1t95 n PRO 127 Ca 0.01 0.40 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 1t95 n PRO 127 Cb 0.45 -2.43 0.20 0.00 -0.04 0.00 0.00 33.50 31.68 1t95 n PRO 127 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1t95 h PRO 128 N 0.43 0.07 -0.97 0.54 0.11 -1.95 -2.20 132.00 128.02 1t95 h PRO 128 Ca -0.50 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.80 1t95 h PRO 128 Cb 1.35 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.35 1t95 h PRO 128 CO 0.52 0.04 0.61 0.66 -0.21 0.00 0.00 178.00 179.63 1t95 h SER 129 N 0.07 0.65 -0.04 -2.05 4.64 -1.97 0.13 113.55 114.98 1t95 h SER 129 Ca 0.48 0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.68 1t95 h SER 129 Cb 0.88 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1t95 h SER 129 CO -0.77 0.25 -0.65 -0.09 -0.87 0.00 0.00 176.83 174.70 1t95 h ARG 130 N 0.64 0.66 -0.31 4.77 9.65 -1.76 -2.35 114.38 125.69 1t95 h ARG 130 Ca 0.53 -0.47 -0.10 0.00 -1.10 0.00 0.00 59.98 58.84 1t95 h ARG 130 Cb 0.98 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 1t95 h ARG 130 CO -0.29 1.09 -0.20 0.82 2.80 0.00 0.00 179.97 184.19 1t95 h ILE 131 N 0.48 1.30 -0.49 1.20 2.04 -1.04 -2.18 117.51 118.82 1t95 h ILE 131 Ca -0.02 -1.34 0.08 0.00 1.00 0.00 0.00 64.86 64.59 1t95 h ILE 131 Cb 1.24 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.74 1t95 h ILE 131 CO 0.13 0.43 0.10 -0.08 0.00 0.00 0.00 178.15 178.73 1t95 h GLU 132 N 0.44 0.23 -0.31 2.37 4.81 -0.81 -0.68 114.58 120.62 1t95 h GLU 132 Ca 0.06 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1t95 h GLU 132 Cb 0.75 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1t95 h GLU 132 CO 0.06 0.15 0.12 0.00 -0.73 0.00 0.00 179.01 178.61 1t95 h ARG 133 N 0.24 0.47 -1.00 1.92 3.08 -1.35 -2.23 114.38 115.51 1t95 h ARG 133 Ca 0.24 -0.09 0.10 0.00 0.07 0.00 0.00 59.98 60.30 1t95 h ARG 133 Cb 0.32 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.22 1t95 h ARG 133 CO -0.31 0.49 0.63 0.00 -1.07 0.00 0.00 179.97 179.71 1t95 h ALA 134 N 0.96 1.46 -0.33 0.04 0.00 -1.14 0.42 119.26 120.67 1t95 h ALA 134 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1t95 h ALA 134 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1t95 h ALA 134 CO -0.01 0.30 0.21 -0.07 0.00 0.00 0.00 179.25 179.69 1t95 h LEU 135 N 1.06 0.36 0.29 0.00 3.38 -0.77 -1.67 115.31 117.96 1t95 h LEU 135 Ca 0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1t95 h LEU 135 Cb 0.37 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1t95 h LEU 135 CO -0.23 0.26 -0.48 -0.33 0.09 0.00 0.00 178.44 177.75 1t95 h GLU 136 N 0.43 -0.80 -0.52 1.13 5.08 -0.79 -2.01 114.58 117.10 1t95 h GLU 136 Ca 0.12 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1t95 h GLU 136 Cb -0.04 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1t95 h GLU 136 CO -0.03 -0.53 0.30 1.49 -1.00 0.00 0.00 179.01 179.23 1t95 h GLU 137 N -0.83 0.71 -0.02 2.33 4.81 -0.88 -0.76 114.58 119.93 1t95 h GLU 137 Ca -0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1t95 h GLU 137 Cb 0.78 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1t95 h GLU 137 CO -0.17 0.51 0.00 0.00 -0.73 0.00 0.00 179.01 178.62 1t95 n ALA 138 N -2.46 2.55 -3.65 2.92 0.00 -0.63 -4.97 120.51 114.27 1t95 n ALA 138 Ca 0.05 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.79 1t95 n ALA 138 Cb 0.09 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.48 1t95 n ALA 138 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t95 n LYS 139 N 0.37 -5.38 -2.41 0.00 4.01 -0.29 -4.89 118.16 109.56 1t95 n LYS 139 Ca 0.18 0.67 -0.42 0.00 -0.51 0.00 0.00 58.31 58.24 1t95 n LYS 139 Cb 0.39 -5.36 -0.03 0.00 -0.51 0.00 0.00 35.03 29.52 1t95 n LYS 139 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1t95 s VAL 140 N -3.58 3.92 0.15 -0.18 -7.23 -1.02 -4.99 120.40 107.47 1t95 s VAL 140 Ca 0.05 1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 61.34 1t95 s VAL 140 Cb -0.02 -3.92 -0.07 0.00 0.56 0.00 0.00 36.38 32.93 1t95 s VAL 140 CO 0.79 0.14 1.14 -2.28 -0.31 0.00 0.00 175.10 174.59 1t95 s HIS 141 N 0.77 3.52 -0.17 2.82 2.46 -1.26 -4.99 115.29 118.44 1t95 s HIS 141 Ca 0.57 1.49 -0.04 0.00 0.47 0.00 0.00 55.06 57.55 1t95 s HIS 141 Cb -0.30 -3.34 -0.02 0.00 -0.13 0.00 0.00 32.58 28.78 1t95 s HIS 141 CO 0.31 -0.90 -0.04 0.42 -2.47 0.00 0.00 174.74 172.06 1t95 s ILE 142 N 0.16 3.70 -0.34 0.89 -1.09 -1.26 -4.98 121.20 118.29 1t95 s ILE 142 Ca 0.53 -0.41 -0.11 0.00 -2.23 0.00 0.00 60.65 58.43 1t95 s ILE 142 Cb -0.30 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1t95 s ILE 142 CO 0.34 0.47 0.19 -0.62 -1.23 0.00 0.00 174.94 174.09 1t95 s ASP 143 N 0.70 5.72 0.48 3.58 -1.08 -1.26 -4.97 116.67 119.84 1t95 s ASP 143 Ca -0.02 -0.66 0.30 0.00 -0.52 0.00 0.00 52.55 51.66 1t95 s ASP 143 Cb -0.15 -2.04 1.16 0.00 -1.46 0.00 0.00 42.92 40.43 1t95 s ASP 143 CO 0.02 -0.27 1.89 0.16 0.52 0.00 0.00 175.17 177.49 1t95 h ILE 144 N 5.69 0.00 -0.66 4.11 3.07 -1.98 -2.75 117.51 124.99 1t95 h ILE 144 Ca -0.30 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.58 1t95 h ILE 144 Cb 1.13 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 1t95 h ILE 144 CO 0.64 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.23 1t95 n PHE 145 N -2.92 1.17 -4.74 0.16 3.72 -1.26 -4.89 117.46 108.70 1t95 n PHE 145 Ca 0.01 -0.56 -0.30 0.00 -0.05 0.00 0.00 57.45 56.56 1t95 n PHE 145 Cb 0.33 -0.12 -0.14 0.00 -0.94 0.00 0.00 39.48 38.61 1t95 n PHE 145 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1t95 s LYS 146 N -1.42 1.80 0.92 -1.08 1.02 -1.04 -3.22 119.74 116.72 1t95 s LYS 146 Ca 0.48 -1.12 -0.10 0.00 0.02 0.00 0.00 55.97 55.25 1t95 s LYS 146 Cb 0.28 -2.02 0.15 0.00 -0.52 0.00 0.00 37.83 35.71 1t95 s LYS 146 CO 0.28 0.51 1.12 -1.54 -0.92 0.00 0.00 175.35 174.80 1t95 s SER 147 N -1.45 2.99 0.11 2.83 1.04 -1.26 -4.90 113.70 113.06 1t95 s SER 147 Ca 0.13 2.04 -0.25 0.00 0.48 0.00 0.00 55.95 58.34 1t95 s SER 147 Cb -0.10 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 1t95 s SER 147 CO 0.04 -3.04 1.66 0.58 0.98 0.00 0.00 173.24 173.46 1t95 h VAL 148 N -1.82 0.54 -0.76 5.02 2.07 -1.95 -2.96 116.25 116.39 1t95 h VAL 148 Ca -0.45 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.16 1t95 h VAL 148 Cb 1.27 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1t95 h VAL 148 CO 0.44 0.00 0.50 -0.33 0.02 0.00 0.00 177.57 178.20 1t95 h GLU 149 N -0.36 0.65 0.00 1.57 3.07 -2.00 -0.15 114.58 117.37 1t95 h GLU 149 Ca 0.04 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1t95 h GLU 149 Cb 0.40 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1t95 h GLU 149 CO -0.14 0.43 0.00 0.00 -1.40 0.00 0.00 179.01 177.90 1t95 n ALA 150 N -2.46 2.25 -0.08 3.43 0.00 -1.13 -3.92 120.51 118.61 1t95 n ALA 150 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1t95 n ALA 150 Cb 0.33 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1t95 n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t95 n GLN 151 N -1.49 2.90 0.05 0.00 10.64 -0.23 -4.86 117.38 124.39 1t95 n GLN 151 Ca 0.07 -0.17 -0.11 0.00 -1.83 0.00 0.00 57.00 54.95 1t95 n GLN 151 Cb 0.31 -0.62 0.00 0.00 -0.86 0.00 0.00 30.24 29.08 1t95 n GLN 151 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 1t95 h VAL 152 N 0.08 1.38 0.06 -0.39 3.04 -1.23 -2.47 116.25 116.72 1t95 h VAL 152 Ca 0.00 -2.19 0.03 0.00 -1.01 0.00 0.00 66.70 63.52 1t95 h VAL 152 Cb 0.04 2.16 -0.05 0.00 -2.01 0.00 0.00 31.29 31.44 1t95 h VAL 152 CO 0.00 0.66 -0.38 0.50 -1.01 0.00 0.00 177.57 177.34 1t95 h LYS 153 N 0.29 -0.56 -0.75 4.17 3.64 -1.86 -0.13 116.57 121.37 1t95 h LYS 153 Ca -0.04 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1t95 h LYS 153 Cb 1.37 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.25 1t95 h LYS 153 CO 0.14 -0.37 0.42 -0.44 -2.27 0.00 0.00 179.45 176.92 1t95 h ASP 154 N -0.58 0.61 -0.54 4.20 5.19 -1.91 -1.80 116.42 121.60 1t95 h ASP 154 Ca 0.04 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1t95 h ASP 154 Cb 0.63 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1t95 h ASP 154 CO -0.26 0.37 0.22 0.40 -3.12 0.00 0.00 179.24 176.85 1t95 h ILE 155 N 0.74 1.22 0.00 0.35 2.04 -1.10 -1.69 117.51 119.07 1t95 h ILE 155 Ca 0.35 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1t95 h ILE 155 Cb 0.27 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1t95 h ILE 155 CO -0.22 0.25 -0.28 0.58 0.00 0.00 0.00 178.15 178.49 1t95 h VAL 156 N 0.73 0.88 0.08 1.67 2.07 -0.60 -1.86 116.25 119.22 1t95 h VAL 156 Ca 0.18 -1.08 -0.25 0.00 0.82 0.00 0.00 66.70 66.36 1t95 h VAL 156 Cb 0.19 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1t95 h VAL 156 CO -0.02 0.27 -1.13 0.11 0.02 0.00 0.00 177.57 176.83 1t95 h LYS 157 N 0.00 0.31 0.00 1.57 1.57 -1.14 -1.60 116.57 117.28 1t95 h LYS 157 Ca -0.00 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1t95 h LYS 157 Cb 0.62 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1t95 h LYS 157 CO 0.04 1.17 -0.05 0.00 -0.57 0.00 0.00 179.45 180.04 1t95 h ALA 158 N 0.65 1.02 0.00 3.86 0.00 -1.00 -3.18 119.26 120.60 1t95 h ALA 158 Ca -0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1t95 h ALA 158 Cb 1.82 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1t95 h ALA 158 CO 0.19 0.06 -1.30 1.28 0.00 0.00 0.00 179.25 179.48 1t95 n LEU 159 N -3.17 0.78 -0.24 0.00 4.77 -0.73 -4.53 117.00 113.88 1t95 n LEU 159 Ca 0.00 0.32 -0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1t95 n LEU 159 Cb 0.33 0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1t95 n LEU 159 CO 0.28 -0.00 0.70 0.50 -1.33 0.00 0.00 177.39 177.54 1t95 h LYS 160 N 0.00 -0.03 -0.74 3.23 3.64 -1.27 0.14 116.57 121.53 1t95 h LYS 160 Ca -0.09 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.45 1t95 h LYS 160 Cb 1.31 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 33.00 1t95 h LYS 160 CO 0.02 -0.02 -0.08 -1.35 -2.27 0.00 0.00 179.45 175.75 1t95 h PRO 161 N -0.03 0.05 0.00 1.90 0.11 -1.80 -3.23 132.00 129.00 1t95 h PRO 161 Ca 0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1t95 h PRO 161 Cb 0.54 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1t95 h PRO 161 CO -0.74 0.03 -1.04 0.44 -0.21 0.00 0.00 178.00 176.49 1t95 n ILE 162 N -5.41 0.00 -3.57 4.15 -5.35 -0.90 -4.89 119.36 103.39 1t95 n ILE 162 Ca 0.12 -0.24 -0.22 0.00 -0.27 0.00 0.00 62.75 62.14 1t95 n ILE 162 Cb 0.43 0.67 -0.15 0.00 -1.74 0.00 0.00 39.64 38.84 1t95 n ILE 162 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1t95 s LEU 163 N -3.17 0.15 -0.00 7.28 2.96 0.42 -5.08 118.68 121.23 1t95 s LEU 163 Ca 0.01 -0.39 -0.24 0.00 -0.22 0.00 0.00 54.13 53.28 1t95 s LEU 163 Cb 0.10 0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.76 1t95 s LEU 163 CO 0.56 -0.33 0.75 -2.16 -1.32 0.00 0.00 176.35 173.84 1t95 s PRO 164 N 2.22 4.47 -0.04 0.98 0.04 -1.25 -3.50 135.00 137.91 1t95 s PRO 164 Ca 0.04 1.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 1t95 s PRO 164 Cb -0.16 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1t95 s PRO 164 CO -0.10 0.19 0.10 -0.51 0.04 0.00 0.00 177.00 176.72 1t95 s LEU 165 N 0.32 1.58 -0.03 -3.56 1.43 -1.26 -4.53 118.68 112.63 1t95 s LEU 165 Ca 0.39 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 1t95 s LEU 165 Cb -0.19 0.34 -0.00 0.00 0.03 0.00 0.00 46.19 46.37 1t95 s LEU 165 CO 0.21 -0.04 -0.14 -1.59 0.23 0.00 0.00 176.35 175.02 1t95 s LYS 166 N 0.10 1.39 -0.38 1.70 -2.85 -0.91 -5.01 119.74 113.78 1t95 s LYS 166 Ca -0.00 -0.49 -0.29 0.00 -1.00 0.00 0.00 55.97 54.19 1t95 s LYS 166 Cb -0.01 -1.25 0.00 0.00 -2.06 0.00 0.00 37.83 34.51 1t95 s LYS 166 CO -0.00 0.21 1.46 -0.06 0.10 0.00 0.00 175.35 177.06 1t95 s PHE 167 N 0.03 2.34 -0.02 1.78 0.08 -1.26 -2.56 117.98 118.37 1t95 s PHE 167 Ca -0.02 0.68 0.04 0.00 0.12 0.00 0.00 56.93 57.75 1t95 s PHE 167 Cb -0.09 -4.23 -0.01 0.00 -0.57 0.00 0.00 43.02 38.12 1t95 s PHE 167 CO 0.01 -2.12 -0.12 -2.00 -0.10 0.00 0.00 175.22 170.89 1t95 s GLU 168 N 4.93 1.13 0.00 0.44 2.12 -1.24 -4.70 118.70 121.37 1t95 s GLU 168 Ca 0.63 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1t95 s GLU 168 Cb -0.16 -1.06 0.00 0.00 0.26 0.00 0.00 34.13 33.17 1t95 s GLU 168 CO 0.32 0.23 0.00 0.39 -0.54 0.00 0.00 175.26 175.65 1t95 n GLU 169 N 2.97 3.29 -3.76 4.30 1.02 -0.48 -0.60 120.64 127.37 1t95 n GLU 169 Ca -0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.86 1t95 n GLU 169 Cb 0.55 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.84 1t95 n GLU 169 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1t95 s GLU 171 N 0.65 0.20 -0.09 3.49 2.02 -0.18 0.15 118.70 124.94 1t95 s GLU 171 Ca 0.00 0.39 -0.03 0.00 0.02 0.00 0.00 54.97 55.36 1t95 s GLU 171 Cb 0.00 -0.03 0.04 0.00 0.10 0.00 0.00 34.13 34.24 1t95 s GLU 171 CO 0.00 -0.10 0.06 0.42 0.02 0.00 0.00 175.26 175.65 1t95 s ILE 172 N 0.74 0.03 0.13 -1.63 1.01 -1.26 -0.69 121.20 119.53 1t95 s ILE 172 Ca -0.05 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 1t95 s ILE 172 Cb -0.07 -0.40 -0.07 0.00 0.01 0.00 0.00 42.46 41.93 1t95 s ILE 172 CO -0.04 0.03 1.16 0.00 0.00 0.00 0.00 174.94 176.08 1t95 s ALA 173 N 2.10 3.39 -0.05 9.38 0.00 -0.05 -4.34 121.76 132.18 1t95 s ALA 173 Ca 0.04 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1t95 s ALA 173 Cb -0.14 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 1t95 s ALA 173 CO -0.05 -0.33 -0.20 0.42 0.00 0.00 0.00 175.76 175.60 1t95 s ILE 174 N 0.32 1.66 -0.09 0.00 -1.09 0.23 -1.26 121.20 120.96 1t95 s ILE 174 Ca 0.54 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 58.15 1t95 s ILE 174 Cb -0.30 -1.42 0.01 0.00 -1.58 0.00 0.00 42.46 39.17 1t95 s ILE 174 CO 0.33 0.47 -0.19 -0.75 -1.23 0.00 0.00 174.94 173.57 1t95 s LYS 175 N 0.05 2.48 -0.18 2.79 2.20 0.41 -1.32 119.74 126.16 1t95 s LYS 175 Ca -0.06 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 54.85 1t95 s LYS 175 Cb -0.13 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.22 1t95 s LYS 175 CO 0.03 0.08 -0.07 0.42 -0.36 0.00 0.00 175.35 175.46 1t95 s ILE 176 N 0.57 3.36 0.79 5.43 1.01 -0.07 -1.13 121.20 131.16 1t95 s ILE 176 Ca -0.15 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1t95 s ILE 176 Cb -0.17 -2.48 0.07 0.00 0.01 0.00 0.00 42.46 39.89 1t95 s ILE 176 CO 0.05 0.47 1.09 -2.16 0.00 0.00 0.00 174.94 174.39 1t95 s PRO 177 N 0.91 2.11 0.29 2.79 0.05 -1.26 -1.74 135.00 138.15 1t95 s PRO 177 Ca -0.01 1.06 0.03 0.00 0.05 0.00 0.00 61.00 62.13 1t95 s PRO 177 Cb -0.15 -1.89 0.61 0.00 0.05 0.00 0.00 34.50 33.12 1t95 s PRO 177 CO 0.01 -1.71 1.82 -1.35 0.05 0.00 0.00 177.00 175.81 1t95 h PRO 178 N -1.17 0.91 -0.76 0.56 0.11 -1.86 -2.61 132.00 127.18 1t95 h PRO 178 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1t95 h PRO 178 Cb 1.24 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1t95 h PRO 178 CO 0.53 0.60 0.42 0.93 -0.21 0.00 0.00 178.00 180.27 1t95 h GLU 179 N 0.94 1.05 -0.04 1.05 3.07 -1.92 -3.20 114.58 115.52 1t95 h GLU 179 Ca 0.52 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1t95 h GLU 179 Cb 0.60 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1t95 h GLU 179 CO -0.30 0.76 0.00 0.72 -1.40 0.00 0.00 179.01 178.80 1t95 n HIS 180 N -4.36 0.03 -0.15 4.33 8.25 -0.99 -4.33 115.22 118.00 1t95 n HIS 180 Ca 0.08 -0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 1t95 n HIS 180 Cb 0.09 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.34 1t95 n HIS 180 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1t95 h THR 181 N 3.08 1.24 -0.36 1.59 1.35 -1.55 -1.41 112.91 116.85 1t95 h THR 181 Ca 0.00 -0.95 0.05 0.00 -0.55 0.00 0.00 66.41 64.96 1t95 h THR 181 Cb 0.66 0.75 -0.05 0.00 -1.73 0.00 0.00 68.15 67.78 1t95 h THR 181 CO 0.00 0.35 0.09 1.23 -0.25 0.00 0.00 175.52 176.94 1t95 h GLY 182 N 1.00 0.44 0.72 5.82 0.00 -1.83 -1.97 103.07 107.25 1t95 h GLY 182 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 1t95 h GLY 182 CO 0.01 -0.01 -0.26 -0.09 0.00 0.00 0.00 176.54 176.20 1t95 h ARG 183 N 0.23 0.36 -0.08 4.80 2.43 -1.87 -3.40 114.38 116.85 1t95 h ARG 183 Ca 0.17 -0.25 -0.21 0.00 -0.81 0.00 0.00 59.98 58.88 1t95 h ARG 183 Cb 0.18 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1t95 h ARG 183 CO -0.21 0.86 -0.75 0.00 -1.51 0.00 0.00 179.97 178.36 1t95 h ALA 184 N 0.50 0.21 -0.27 2.80 0.00 -0.86 -3.14 119.26 118.50 1t95 h ALA 184 Ca -0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1t95 h ALA 184 Cb 0.87 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1t95 h ALA 184 CO 0.06 0.57 0.05 0.82 0.00 0.00 0.00 179.25 180.74 1t95 h ILE 185 N 0.32 1.23 -0.75 0.00 2.04 -1.59 -1.27 117.51 117.48 1t95 h ILE 185 Ca -0.07 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 1t95 h ILE 185 Cb 1.40 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1t95 h ILE 185 CO 0.15 0.24 0.23 -1.28 0.00 0.00 0.00 178.15 177.50 1t95 h SER 186 N 0.26 1.09 0.15 1.72 0.87 -1.77 -1.50 113.55 114.37 1t95 h SER 186 Ca 0.08 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1t95 h SER 186 Cb 0.32 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1t95 h SER 186 CO 0.00 1.01 -0.24 0.00 -0.53 0.00 0.00 176.83 177.07 1t95 h ALA 187 N 1.13 1.41 -0.07 6.23 0.00 -1.45 -2.34 119.26 124.17 1t95 h ALA 187 Ca 0.24 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1t95 h ALA 187 Cb 0.31 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1t95 h ALA 187 CO -0.01 0.42 -0.81 -0.07 0.00 0.00 0.00 179.25 178.78 1t95 h LEU 188 N 0.16 0.84 -1.27 0.00 3.38 -0.87 -1.55 115.31 115.99 1t95 h LEU 188 Ca 0.03 -0.68 0.03 0.00 0.09 0.00 0.00 57.88 57.34 1t95 h LEU 188 Cb 0.52 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1t95 h LEU 188 CO 0.04 1.40 0.50 1.88 0.09 0.00 0.00 178.44 182.35 1t95 h TYR 189 N 0.35 0.92 -0.30 1.13 -1.99 -1.17 -1.38 116.97 114.53 1t95 h TYR 189 Ca -0.08 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.54 1t95 h TYR 189 Cb 1.46 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 39.87 1t95 h TYR 189 CO 0.10 0.55 -0.35 -0.97 -0.00 0.00 0.00 178.16 177.49 1t95 h ASN 190 N 0.97 0.70 -0.73 3.88 -0.00 -1.34 -2.57 115.58 116.48 1t95 h ASN 190 Ca 0.30 -0.29 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 1t95 h ASN 190 Cb -0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 38.09 1t95 h ASN 190 CO -0.08 0.99 0.33 0.15 -0.00 0.00 0.00 177.43 178.82 1t95 h PHE 191 N 0.56 1.09 0.00 0.67 3.57 -0.95 -3.50 116.94 118.37 1t95 h PHE 191 Ca 0.06 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1t95 h PHE 191 Cb 0.86 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1t95 h PHE 191 CO 0.04 0.81 0.00 0.41 -2.23 0.00 0.00 178.31 177.34 1t95 n GLY 192 N -1.01 -0.52 0.02 2.40 0.00 -0.55 -5.04 105.19 100.49 1t95 n GLY 192 Ca 0.07 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1t95 n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t95 n GLY 193 N -0.13 0.94 3.69 -0.02 0.00 -1.26 -4.85 105.19 103.56 1t95 n GLY 193 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1t95 n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t95 s VAL 194 N -2.00 3.83 0.14 1.61 1.01 -1.26 -0.47 120.40 123.26 1t95 s VAL 194 Ca 0.00 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.17 1t95 s VAL 194 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1t95 s VAL 194 CO 0.00 -0.01 0.01 0.42 0.00 0.00 0.00 175.10 175.51 1t95 s THR 195 N 2.49 0.47 -1.64 3.92 -4.23 0.00 -4.92 115.64 111.73 1t95 s THR 195 Ca 0.62 -1.94 -0.14 0.00 -1.18 0.00 0.00 61.69 59.06 1t95 s THR 195 Cb -0.30 -1.98 0.12 0.00 1.34 0.00 0.00 72.50 71.68 1t95 s THR 195 CO 0.25 -0.58 0.68 0.54 -0.54 0.00 0.00 174.62 174.97 1t95 n ARG 196 N -0.14 -3.10 -2.55 3.99 1.74 -1.26 -1.57 116.66 113.77 1t95 n ARG 196 Ca -0.08 0.37 -0.39 0.00 -0.77 0.00 0.00 57.85 56.97 1t95 n ARG 196 Cb 0.63 -4.92 -0.05 0.00 -1.02 0.00 0.00 32.46 27.10 1t95 n ARG 196 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1t95 s GLU 197 N -6.88 4.61 -0.22 5.56 1.03 -1.26 -4.23 118.70 117.31 1t95 s GLU 197 Ca 0.56 1.67 -0.05 0.00 0.03 0.00 0.00 54.97 57.19 1t95 s GLU 197 Cb -0.30 -3.09 0.11 0.00 -0.80 0.00 0.00 34.13 30.05 1t95 s GLU 197 CO 0.92 0.22 0.40 -2.00 -1.33 0.00 0.00 175.26 173.47 1t95 s GLU 198 N -1.58 0.34 0.40 -4.83 2.12 -0.52 -5.00 118.70 109.63 1t95 s GLU 198 Ca 0.46 0.78 -0.26 0.00 0.36 0.00 0.00 54.97 56.31 1t95 s GLU 198 Cb -0.29 -0.08 -0.09 0.00 0.26 0.00 0.00 34.13 33.94 1t95 s GLU 198 CO 0.36 -0.46 1.30 -1.58 -0.54 0.00 0.00 175.26 174.34 1t95 s TRP 199 N 2.58 2.85 0.09 5.30 0.52 -1.26 -1.64 118.94 127.38 1t95 s TRP 199 Ca 0.06 1.42 0.04 0.00 0.02 0.00 0.00 56.10 57.64 1t95 s TRP 199 Cb -0.14 -3.65 -0.04 0.00 -1.15 0.00 0.00 33.47 28.49 1t95 s TRP 199 CO -0.14 -2.03 0.05 -0.65 0.02 0.00 0.00 176.95 174.19 1t95 s GLN 200 N -2.21 2.73 0.42 4.98 -1.52 -0.35 -4.94 119.66 118.75 1t95 s GLN 200 Ca 0.56 -0.78 0.09 0.00 -1.95 0.00 0.00 55.36 53.28 1t95 s GLN 200 Cb -0.38 -2.63 0.90 0.00 -0.22 0.00 0.00 33.01 30.68 1t95 s GLN 200 CO 0.49 0.55 2.04 0.00 -0.25 0.00 0.00 175.29 178.11 1t95 h ARG 201 N 3.27 0.51 0.00 2.91 3.08 -1.97 -1.94 114.38 120.23 1t95 h ARG 201 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1t95 h ARG 201 Cb 1.17 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1t95 h ARG 201 CO 0.63 0.34 0.00 -0.40 -1.07 0.00 0.00 179.97 179.46 1t95 n ASP 202 N -4.48 0.00 0.00 7.04 5.68 -1.26 -4.84 116.55 118.70 1t95 n ASP 202 Ca 0.05 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1t95 n ASP 202 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1t95 n ASP 202 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t95 n GLY 203 N 0.37 0.76 3.93 6.12 0.00 -0.73 -4.76 105.19 110.88 1t95 n GLY 203 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1t95 n GLY 203 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t95 s SER 204 N -2.33 4.06 -0.11 1.61 1.04 -1.26 -3.76 113.70 112.95 1t95 s SER 204 Ca 0.00 0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.74 1t95 s SER 204 Cb 0.00 -0.77 0.03 0.00 0.10 0.00 0.00 66.02 65.38 1t95 s SER 204 CO 0.00 -2.13 0.31 0.86 0.98 0.00 0.00 173.24 173.25 1t95 s TRP 205 N -3.57 -0.33 0.15 5.02 -0.00 -0.71 -1.22 118.94 118.27 1t95 s TRP 205 Ca 0.66 0.80 0.08 0.00 -0.00 0.00 0.00 56.10 57.64 1t95 s TRP 205 Cb -0.08 0.11 -0.04 0.00 -0.00 0.00 0.00 33.47 33.47 1t95 s TRP 205 CO 0.49 -0.17 -0.17 0.96 -0.00 0.00 0.00 176.95 178.06 1t95 s ILE 206 N 0.11 1.66 0.34 5.86 -4.36 -0.65 -0.89 121.20 123.27 1t95 s ILE 206 Ca -0.00 -1.82 -0.08 0.00 -0.26 0.00 0.00 60.65 58.48 1t95 s ILE 206 Cb -0.02 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 41.98 1t95 s ILE 206 CO 0.01 -0.32 0.56 0.00 0.24 0.00 0.00 174.94 175.42 1t95 n VAL 208 N -0.53 0.00 -3.16 0.00 0.31 -0.61 -0.60 118.33 113.75 1t95 n VAL 208 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.36 1t95 n VAL 208 Cb 0.61 -0.32 -0.02 0.00 -0.91 0.00 0.00 33.84 33.21 1t95 n VAL 208 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1t95 s ARG 210 N -0.22 0.22 0.07 5.55 6.06 0.38 -0.82 118.95 130.20 1t95 s ARG 210 Ca 0.00 0.40 0.03 0.00 -2.50 0.00 0.00 55.73 53.66 1t95 s ARG 210 Cb 0.00 0.22 -0.03 0.00 0.06 0.00 0.00 34.95 35.20 1t95 s ARG 210 CO 0.00 -0.24 -0.10 0.96 -2.50 0.00 0.00 175.30 173.43 1t95 s ILE 211 N 2.92 0.80 0.09 4.11 -4.36 -1.26 -4.37 121.20 119.12 1t95 s ILE 211 Ca 0.01 -1.40 -0.34 0.00 -0.26 0.00 0.00 60.65 58.66 1t95 s ILE 211 Cb -0.11 -1.06 -0.13 0.00 1.25 0.00 0.00 42.46 42.41 1t95 s ILE 211 CO -0.12 -0.47 1.70 -2.65 0.24 0.00 0.00 174.94 173.64 1t95 n PRO 212 N 0.96 2.24 -0.08 0.37 -0.02 -1.26 -4.39 135.00 132.82 1t95 n PRO 212 Ca -0.19 0.81 0.20 0.00 -2.02 0.00 0.00 63.50 62.30 1t95 n PRO 212 Cb 0.56 -2.62 0.64 0.00 -0.02 0.00 0.00 33.50 32.06 1t95 n PRO 212 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1t95 h SER 213 N 7.17 0.12 0.00 2.55 0.02 -1.10 -3.31 113.55 119.00 1t95 h SER 213 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1t95 h SER 213 Cb 1.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1t95 h SER 213 CO 0.91 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 1t95 n GLY 214 N -1.61 0.64 3.43 -3.77 0.00 -1.21 -4.71 105.19 97.96 1t95 n GLY 214 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1t95 n GLY 214 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1t95 n TYR 216 N 1.95 0.00 -0.05 1.61 9.36 -1.25 -4.78 117.16 124.00 1t95 n TYR 216 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 1t95 n TYR 216 Cb 0.04 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 38.88 1t95 n TYR 216 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1t95 h GLY 217 N 0.00 0.73 0.98 2.98 0.00 -1.95 -2.42 103.07 103.39 1t95 h GLY 217 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1t95 h GLY 217 CO 0.00 0.55 0.23 -0.55 0.00 0.00 0.00 176.54 176.77 1t95 h ASP 218 N 0.60 0.75 0.00 0.19 5.19 -1.98 -1.96 116.42 119.20 1t95 h ASP 218 Ca 0.09 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1t95 h ASP 218 Cb 0.69 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1t95 h ASP 218 CO 0.05 0.70 0.00 -0.11 -3.12 0.00 0.00 179.24 176.76 1t95 n LEU 219 N -4.52 0.00 0.00 1.55 7.94 -0.91 -1.76 117.00 119.30 1t95 n LEU 219 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1t95 n LEU 219 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1t95 n LEU 219 CO 0.38 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 177.13 1t95 n ASP 221 N 0.61 0.00 -0.20 1.96 8.00 -0.74 -1.09 116.55 125.08 1t95 n ASP 221 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1t95 n ASP 221 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1t95 n ASP 221 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1t95 h LEU 222 N 0.00 0.05 -0.61 0.64 5.85 -1.62 -1.93 115.31 117.69 1t95 h LEU 222 Ca 0.00 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1t95 h LEU 222 Cb 0.00 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1t95 h LEU 222 CO 0.00 0.03 0.09 -0.07 -0.34 0.00 0.00 178.44 178.15 1t95 h LEU 223 N 0.29 0.98 -0.31 2.25 3.38 -1.39 -1.11 115.31 119.40 1t95 h LEU 223 Ca 0.32 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1t95 h LEU 223 Cb 0.47 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1t95 h LEU 223 CO -0.39 1.00 -0.11 1.23 0.09 0.00 0.00 178.44 180.26 1t95 h GLY 224 N 0.93 0.17 0.93 0.83 0.00 -1.73 -2.07 103.07 102.13 1t95 h GLY 224 Ca 0.18 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 1t95 h GLY 224 CO 0.01 -0.14 -0.46 1.70 0.00 0.00 0.00 176.54 177.65 1t95 h LYS 225 N -0.05 -1.18 0.00 4.80 3.64 -1.02 -1.53 116.57 121.22 1t95 h LYS 225 Ca 0.16 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1t95 h LYS 225 Cb 0.29 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1t95 h LYS 225 CO -0.35 -0.79 -0.17 -0.39 -2.27 0.00 0.00 179.45 175.48 1t95 h VAL 226 N -1.23 0.00 0.00 2.00 -1.51 -1.21 -3.17 116.25 111.13 1t95 h VAL 226 Ca -0.12 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 1t95 h VAL 226 Cb 0.96 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 1t95 h VAL 226 CO 0.17 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.50 1t95 n ALA 227 N -1.92 2.12 -4.00 5.19 0.00 -0.78 -4.30 120.51 116.82 1t95 n ALA 227 Ca 0.04 -1.85 -0.29 0.00 0.00 0.00 0.00 53.44 51.34 1t95 n ALA 227 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 1t95 n ALA 227 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t95 n LYS 228 N -0.98 -3.99 -1.09 0.00 5.02 -0.60 -1.61 118.16 114.91 1t95 n LYS 228 Ca 0.08 0.47 -0.03 0.00 -2.02 0.00 0.00 58.31 56.81 1t95 n LYS 228 Cb 0.46 -5.01 -0.01 0.00 -0.02 0.00 0.00 35.03 30.45 1t95 n LYS 228 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t95 n GLY 229 N -1.69 0.55 0.12 0.72 0.00 -1.05 -4.87 105.19 98.98 1t95 n GLY 229 Ca -0.11 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1t95 n GLY 229 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t95 n GLU 230 N -1.64 0.64 -2.11 1.61 1.02 -0.63 -4.96 120.64 114.56 1t95 n GLU 230 Ca -0.03 -0.25 -0.41 0.00 -0.02 0.00 0.00 57.16 56.45 1t95 n GLU 230 Cb 0.27 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1t95 n GLU 230 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t95 s ALA 231 N -2.75 3.50 -0.12 0.62 0.00 -1.26 -4.67 121.76 117.08 1t95 s ALA 231 Ca 0.10 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 1t95 s ALA 231 Cb 0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1t95 s ALA 231 CO 0.75 -0.65 0.05 -0.51 0.00 0.00 0.00 175.76 175.40 1t95 s LEU 232 N -1.76 3.84 0.18 0.00 1.43 -0.29 -4.97 118.68 117.11 1t95 s LEU 232 Ca 0.49 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 1t95 s LEU 232 Cb -0.40 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1t95 s LEU 232 CO 0.53 0.32 -0.11 0.42 0.23 0.00 0.00 176.35 177.74 1t95 s THR 233 N -0.53 1.40 -0.21 5.49 -4.23 -1.26 -0.45 115.64 115.86 1t95 s THR 233 Ca 0.10 -2.12 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 1t95 s THR 233 Cb -0.12 -1.99 0.09 0.00 1.34 0.00 0.00 72.50 71.83 1t95 s THR 233 CO 0.02 -0.64 0.45 -0.75 -0.54 0.00 0.00 174.62 173.16 1t95 s LYS 234 N -3.71 0.37 -0.23 3.99 2.20 -0.39 -4.97 119.74 116.99 1t95 s LYS 234 Ca 0.20 1.05 -0.29 0.00 -0.36 0.00 0.00 55.97 56.57 1t95 s LYS 234 Cb 0.02 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1t95 s LYS 234 CO 0.04 -0.23 1.53 0.08 -0.36 0.00 0.00 175.35 176.41 1t95 s VAL 235 N 2.43 3.81 -0.08 4.02 1.01 -1.26 -0.87 120.40 129.45 1t95 s VAL 235 Ca -0.04 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.65 1t95 s VAL 235 Cb -0.11 -3.81 -0.29 0.00 0.00 0.00 0.00 36.38 32.17 1t95 s VAL 235 CO -0.14 -0.32 0.76 -0.07 0.00 0.00 0.00 175.10 175.33 1t95 h LEU 236 N 11.40 0.35 -7.00 3.92 3.38 -1.28 -3.49 115.31 122.60 1t95 h LEU 236 Ca -0.32 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 56.75 1t95 h LEU 236 Cb 1.14 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 1t95 h LEU 236 CO 1.01 1.40 0.33 0.00 0.09 0.00 0.00 178.44 181.27 1t95 s ARG 237 N -2.41 0.96 -0.12 1.13 1.70 -1.19 -5.01 118.95 114.02 1t95 s ARG 237 Ca -0.17 -0.05 -0.04 0.00 -0.47 0.00 0.00 55.73 55.00 1t95 s ARG 237 Cb 0.01 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 1t95 s ARG 237 CO 0.78 -0.36 0.04 1.03 -1.08 0.00 0.00 175.30 175.71 1t95 s ARG 238 N -2.16 3.37 -0.33 3.89 0.52 -1.26 -1.01 118.95 121.96 1t95 s ARG 238 Ca -0.03 -0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 1t95 s ARG 238 Cb -0.01 -2.97 0.07 0.00 0.52 0.00 0.00 34.95 32.56 1t95 s ARG 238 CO -0.01 0.57 0.06 0.42 0.02 0.00 0.00 175.30 176.35 1t95 s ILE 239 N -0.49 3.00 -2.00 1.52 1.01 0.12 -5.00 121.20 119.37 1t95 s ILE 239 Ca 0.09 -1.65 0.18 0.00 0.00 0.00 0.00 60.65 59.27 1t95 s ILE 239 Cb -0.12 -2.85 0.50 0.00 0.01 0.00 0.00 42.46 40.00 1t95 s ILE 239 CO 0.02 -0.31 1.46 0.61 0.00 0.00 0.00 174.94 176.72