#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i98 s ASN 2 N 0.00 5.70 0.52 7.83 3.84 -1.26 -5.00 114.94 126.57 3i98 s ASN 2 Ca 0.00 0.03 0.22 0.00 0.21 0.00 0.00 52.86 53.32 3i98 s ASN 2 Cb 0.00 -2.01 1.34 0.00 -0.55 0.00 0.00 41.25 40.03 3i98 s ASN 2 CO 0.00 0.09 2.04 -0.65 -2.79 0.00 0.00 177.10 175.79 3i98 h PRO 3 N 7.29 0.02 -0.86 0.43 0.11 -1.90 -1.24 132.00 135.86 3i98 h PRO 3 Ca -0.37 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.77 3i98 h PRO 3 Cb 1.17 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3i98 h PRO 3 CO 0.66 0.02 0.57 0.35 -0.21 0.00 0.00 178.00 179.38 3i98 h PHE 4 N 0.02 1.04 0.00 0.65 3.57 -1.96 -2.33 116.94 117.94 3i98 h PHE 4 Ca 0.18 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.52 3i98 h PHE 4 Cb 0.69 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3i98 h PHE 4 CO -0.00 0.60 -1.54 0.72 -2.23 0.00 0.00 178.31 175.86 3i98 n HIS 5 N -4.44 0.88 0.02 0.41 8.25 -0.54 -1.21 115.22 118.59 3i98 n HIS 5 Ca 0.11 0.30 -0.13 0.00 -0.26 0.00 0.00 57.72 57.74 3i98 n HIS 5 Cb 0.11 -1.07 -0.14 0.00 1.12 0.00 0.00 29.99 30.01 3i98 n HIS 5 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3i98 h GLU 6 N 0.00 0.11 -6.81 -0.41 3.07 -1.23 -3.47 114.58 105.86 3i98 h GLU 6 Ca -0.20 -0.20 -0.48 0.00 -0.50 0.00 0.00 59.36 57.98 3i98 h GLU 6 Cb 1.66 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.62 3i98 h GLU 6 CO 0.05 0.86 0.25 -0.51 -1.40 0.00 0.00 179.01 178.26 3i98 s LEU 7 N -6.59 4.24 0.85 1.33 1.43 -0.89 -5.06 118.68 113.98 3i98 s LEU 7 Ca -0.07 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 3i98 s LEU 7 Cb 0.08 -3.99 0.10 0.00 0.03 0.00 0.00 46.19 42.41 3i98 s LEU 7 CO 0.83 -0.10 1.10 -1.61 0.23 0.00 0.00 176.35 176.80 3i98 s GLU 8 N -2.32 1.64 0.48 1.70 0.41 -1.26 -4.25 118.70 115.10 3i98 s GLU 8 Ca 0.51 1.19 0.26 0.00 -0.41 0.00 0.00 54.97 56.51 3i98 s GLU 8 Cb -0.15 -1.83 1.18 0.00 -1.78 0.00 0.00 34.13 31.55 3i98 s GLU 8 CO 0.20 -2.08 1.94 -1.35 -0.49 0.00 0.00 175.26 173.49 3i98 h PRO 9 N -1.45 0.00 0.00 0.39 0.11 -1.88 -3.41 132.00 125.76 3i98 h PRO 9 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i98 h PRO 9 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i98 h PRO 9 CO 0.49 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 3i98 n GLY 10 N -0.24 0.83 0.15 -0.55 0.00 -1.26 -0.57 105.19 103.55 3i98 n GLY 10 Ca -0.01 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.29 3i98 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i98 h PRO 11 N 0.00 0.00 -0.76 1.61 0.13 -1.88 -3.40 132.00 127.70 3i98 h PRO 11 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 3i98 h PRO 11 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 3i98 h PRO 11 CO 0.00 0.00 -0.73 -1.91 -0.23 0.00 0.00 178.00 175.13 3i98 n GLU 12 N -2.74 0.94 -2.26 0.86 0.00 -1.11 -5.05 120.64 111.28 3i98 n GLU 12 Ca 0.03 -2.43 -0.39 0.00 0.00 0.00 0.00 57.16 54.37 3i98 n GLU 12 Cb 0.51 -1.31 -0.02 0.00 0.00 0.00 0.00 31.44 30.62 3i98 n GLU 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3i98 s VAL 13 N -0.56 3.07 -1.72 6.31 -7.23 -1.20 -1.18 120.40 117.89 3i98 s VAL 13 Ca 0.30 0.94 0.19 0.00 -1.81 0.00 0.00 61.98 61.60 3i98 s VAL 13 Cb 0.29 -3.55 0.62 0.00 0.56 0.00 0.00 36.38 34.29 3i98 s VAL 13 CO -0.10 0.13 1.51 -0.81 -0.31 0.00 0.00 175.10 175.52 3i98 n PRO 14 N 0.28 2.88 -0.02 4.82 -0.04 -1.26 -4.88 135.00 136.79 3i98 n PRO 14 Ca 0.03 -2.48 -0.13 0.00 -0.04 0.00 0.00 63.50 60.89 3i98 n PRO 14 Cb 0.45 -1.63 -0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3i98 n PRO 14 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i98 h GLU 15 N 3.86 0.67 -4.09 0.54 4.39 -1.53 -3.42 114.58 114.99 3i98 h GLU 15 Ca 0.00 -0.47 -0.50 0.00 0.34 0.00 0.00 59.36 58.74 3i98 h GLU 15 Cb 1.05 0.07 -0.37 0.00 -0.10 0.00 0.00 28.75 29.40 3i98 h GLU 15 CO 0.07 1.09 -0.79 0.08 -1.16 0.00 0.00 179.01 178.30 3i98 s VAL 16 N -3.92 0.84 0.35 3.13 1.01 -0.36 -4.20 120.40 117.26 3i98 s VAL 16 Ca -0.09 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.80 3i98 s VAL 16 Cb 0.10 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 3i98 s VAL 16 CO 0.87 0.33 -0.01 0.68 0.00 0.00 0.00 175.10 176.97 3i98 s VAL 17 N 1.70 2.42 -0.07 2.92 -7.23 -0.10 -2.74 120.40 117.30 3i98 s VAL 17 Ca 0.03 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 57.98 3i98 s VAL 17 Cb -0.13 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 3i98 s VAL 17 CO -0.07 -0.17 0.55 -0.31 -0.31 0.00 0.00 175.10 174.80 3i98 s TYR 18 N -2.57 3.58 -0.25 2.82 4.12 0.27 -1.12 117.35 124.21 3i98 s TYR 18 Ca 0.35 1.05 -0.08 0.00 0.02 0.00 0.00 57.07 58.41 3i98 s TYR 18 Cb 0.02 -2.60 -0.03 0.00 -1.52 0.00 0.00 41.96 37.82 3i98 s TYR 18 CO 0.19 0.23 0.09 0.00 0.02 0.00 0.00 175.55 176.08 3i98 s ALA 19 N 0.34 3.27 -0.45 3.71 0.00 0.28 -4.24 121.76 124.69 3i98 s ALA 19 Ca 0.30 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 3i98 s ALA 19 Cb -0.17 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.85 3i98 s ALA 19 CO 0.14 -0.40 0.46 -1.17 0.00 0.00 0.00 175.76 174.79 3i98 s LEU 20 N 1.46 5.03 0.07 0.00 2.96 0.03 -0.92 118.68 127.30 3i98 s LEU 20 Ca 0.06 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 52.82 3i98 s LEU 20 Cb -0.15 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 3i98 s LEU 20 CO 0.05 -0.65 1.06 -0.63 -1.32 0.00 0.00 176.35 174.86 3i98 s ILE 21 N 2.13 4.41 -0.15 6.68 -1.09 -0.61 -1.85 121.20 130.71 3i98 s ILE 21 Ca 0.11 1.83 0.07 0.00 -2.23 0.00 0.00 60.65 60.43 3i98 s ILE 21 Cb -0.19 -4.17 -0.14 0.00 -1.58 0.00 0.00 42.46 36.38 3i98 s ILE 21 CO 0.12 0.20 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.36 3i98 n GLU 22 N 3.44 1.18 -3.84 2.79 1.02 0.91 0.37 120.64 126.51 3i98 n GLU 22 Ca 0.06 0.04 -0.27 0.00 -0.02 0.00 0.00 57.16 56.96 3i98 n GLU 22 Cb 0.49 -1.34 -0.17 0.00 -0.02 0.00 0.00 31.44 30.40 3i98 n GLU 22 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i98 s ILE 23 N -2.33 0.89 0.51 -3.67 1.01 -0.19 -4.65 121.20 112.77 3i98 s ILE 23 Ca -0.14 -0.51 -0.21 0.00 0.00 0.00 0.00 60.65 59.79 3i98 s ILE 23 Cb 0.05 -1.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.33 3i98 s ILE 23 CO 0.48 0.08 1.16 -2.84 0.00 0.00 0.00 174.94 173.82 3i98 s PRO 24 N 1.73 3.48 0.27 2.79 0.02 -1.26 0.01 135.00 142.03 3i98 s PRO 24 Ca 0.01 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 3i98 s PRO 24 Cb -0.15 -2.18 -0.13 0.00 0.02 0.00 0.00 34.50 32.06 3i98 s PRO 24 CO -0.07 -0.77 1.27 1.17 -0.33 0.00 0.00 177.00 178.27 3i98 n LYS 25 N -0.97 1.83 0.00 5.54 4.81 -1.23 -2.49 118.16 125.65 3i98 n LYS 25 Ca 0.10 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 3i98 n LYS 25 Cb 0.49 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.33 3i98 n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i98 n GLY 26 N 1.60 0.17 3.75 3.14 0.00 -0.02 -4.87 105.19 108.96 3i98 n GLY 26 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3i98 n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i98 s SER 27 N -2.16 7.44 0.07 1.61 0.15 -1.04 -4.73 113.70 115.05 3i98 s SER 27 Ca 0.00 1.72 0.21 0.00 0.70 0.00 0.00 55.95 58.58 3i98 s SER 27 Cb 0.00 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.60 3i98 s SER 27 CO 0.00 0.06 0.74 -1.14 1.20 0.00 0.00 173.24 174.10 3i98 n ARG 28 N 2.27 0.63 -2.50 5.44 0.63 -1.26 -1.53 116.66 120.33 3i98 n ARG 28 Ca -0.01 -0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.50 3i98 n ARG 28 Cb 0.49 -1.69 -0.03 0.00 0.45 0.00 0.00 32.46 31.68 3i98 n ARG 28 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3i98 s ASN 29 N -5.08 7.16 -0.35 6.15 0.01 -1.26 -2.17 114.94 119.39 3i98 s ASN 29 Ca -0.04 1.92 -0.15 0.00 -0.71 0.00 0.00 52.86 53.88 3i98 s ASN 29 Cb 0.11 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 3i98 s ASN 29 CO 0.84 -0.41 0.33 -0.75 -1.51 0.00 0.00 177.10 175.60 3i98 s LYS 30 N 1.05 3.45 0.14 -0.60 2.20 0.18 -4.96 119.74 121.21 3i98 s LYS 30 Ca 0.57 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 3i98 s LYS 30 Cb -0.27 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 3i98 s LYS 30 CO 0.29 -0.55 0.19 0.71 -0.36 0.00 0.00 175.35 175.63 3i98 s TYR 31 N 1.92 3.31 0.32 4.03 1.51 -1.26 -0.34 117.35 126.84 3i98 s TYR 31 Ca 0.10 0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.26 3i98 s TYR 31 Cb -0.17 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 3i98 s TYR 31 CO 0.11 0.52 0.18 -1.21 -1.11 0.00 0.00 175.55 174.05 3i98 s GLU 32 N -3.04 1.65 -0.10 -0.62 2.02 0.08 -4.76 118.70 113.93 3i98 s GLU 32 Ca 0.32 -1.95 -0.19 0.00 0.02 0.00 0.00 54.97 53.17 3i98 s GLU 32 Cb -0.11 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 3i98 s GLU 32 CO 0.26 -0.49 0.52 -0.51 0.02 0.00 0.00 175.26 175.05 3i98 s LEU 33 N -3.39 4.29 0.19 1.80 1.02 -1.26 -0.60 118.68 120.73 3i98 s LEU 33 Ca 0.35 0.90 -0.31 0.00 0.02 0.00 0.00 54.13 55.09 3i98 s LEU 33 Cb 0.04 -2.77 -0.10 0.00 0.02 0.00 0.00 46.19 43.38 3i98 s LEU 33 CO 0.19 -0.01 1.54 -0.62 0.02 0.00 0.00 176.35 177.47 3i98 s ASP 34 N 0.58 6.60 0.10 2.29 2.15 0.61 -4.89 116.67 124.11 3i98 s ASP 34 Ca 0.28 2.63 -0.32 0.00 0.43 0.00 0.00 52.55 55.57 3i98 s ASP 34 Cb -0.16 -2.60 -0.13 0.00 -0.30 0.00 0.00 42.92 39.73 3i98 s ASP 34 CO 0.12 -0.80 1.59 0.11 -0.17 0.00 0.00 175.17 176.02 3i98 h LYS 35 N 6.36 -0.74 -0.18 4.34 6.56 -1.96 -1.06 116.57 129.89 3i98 h LYS 35 Ca -0.43 0.05 -0.13 0.00 -1.06 0.00 0.00 60.65 59.08 3i98 h LYS 35 Cb 1.21 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 33.04 3i98 h LYS 35 CO 0.88 -0.49 -0.38 0.87 -2.06 0.00 0.00 179.45 178.27 3i98 h LYS 36 N -0.77 0.57 0.00 3.15 6.56 -1.99 -3.38 116.57 120.73 3i98 h LYS 36 Ca -0.01 -0.38 -0.35 0.00 -1.06 0.00 0.00 60.65 58.85 3i98 h LYS 36 Cb 0.73 0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 32.37 3i98 h LYS 36 CO -0.15 0.99 -2.23 0.25 -2.06 0.00 0.00 179.45 176.25 3i98 n THR 37 N -4.28 1.46 -0.77 -0.16 -2.24 -1.22 -4.80 114.28 102.26 3i98 n THR 37 Ca -0.06 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3i98 n THR 37 Cb 0.52 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3i98 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i98 n GLY 38 N 1.74 0.61 3.86 3.38 0.00 -0.40 -4.30 105.19 110.08 3i98 n GLY 38 Ca -0.30 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3i98 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i98 s LEU 39 N 0.00 3.42 0.30 0.99 1.43 -1.26 -4.68 118.68 118.88 3i98 s LEU 39 Ca 0.00 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.25 3i98 s LEU 39 Cb 0.00 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3i98 s LEU 39 CO 0.00 -0.73 1.22 -0.22 0.23 0.00 0.00 176.35 176.85 3i98 s LEU 40 N -4.68 4.48 0.00 1.79 2.96 -1.26 -0.28 118.68 121.68 3i98 s LEU 40 Ca 0.56 2.49 0.03 0.00 -0.22 0.00 0.00 54.13 56.99 3i98 s LEU 40 Cb -0.11 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 3i98 s LEU 40 CO 0.44 -0.37 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.27 3i98 s LYS 41 N -1.52 0.70 -0.18 1.98 2.20 0.23 -4.81 119.74 118.34 3i98 s LYS 41 Ca 0.48 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.41 3i98 s LYS 41 Cb -0.36 -0.66 -0.02 0.00 -1.51 0.00 0.00 37.83 35.28 3i98 s LYS 41 CO 0.47 0.18 1.33 -1.17 -0.36 0.00 0.00 175.35 175.79 3i98 s LEU 42 N -0.39 4.14 -0.11 5.43 2.96 -1.26 -0.74 118.68 128.70 3i98 s LEU 42 Ca 0.02 1.67 -0.10 0.00 -0.22 0.00 0.00 54.13 55.50 3i98 s LEU 42 Cb -0.04 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 3i98 s LEU 42 CO -0.00 -0.85 0.27 -0.78 -1.32 0.00 0.00 176.35 173.67 3i98 h ASP 43 N 8.63 0.00 -5.07 3.68 3.58 -1.00 -3.47 116.42 122.77 3i98 h ASP 43 Ca -0.28 -0.36 0.10 0.00 0.42 0.00 0.00 57.03 56.91 3i98 h ASP 43 Cb 1.11 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.08 3i98 h ASP 43 CO 0.98 0.68 0.33 0.00 -2.88 0.00 0.00 179.24 178.36 3i98 s ARG 44 N -1.80 1.43 -0.17 0.28 1.70 -1.08 -5.03 118.95 114.29 3i98 s ARG 44 Ca -0.07 -0.74 -0.16 0.00 -0.47 0.00 0.00 55.73 54.29 3i98 s ARG 44 Cb -0.01 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 3i98 s ARG 44 CO 0.25 -0.65 0.38 0.08 -1.08 0.00 0.00 175.30 174.28 3i98 s VAL 45 N -3.61 5.24 0.32 4.99 1.01 -1.26 -0.65 120.40 126.44 3i98 s VAL 45 Ca 0.09 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 3i98 s VAL 45 Cb -0.03 -3.72 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 3i98 s VAL 45 CO 0.01 0.32 1.31 0.18 0.00 0.00 0.00 175.10 176.92 3i98 n LEU 46 N 3.95 3.48 0.18 3.92 4.77 -0.92 -4.86 117.00 127.52 3i98 n LEU 46 Ca -0.09 1.20 0.14 0.00 -0.03 0.00 0.00 56.01 57.22 3i98 n LEU 46 Cb 0.51 -1.48 0.48 0.00 -2.33 0.00 0.00 43.42 40.61 3i98 n LEU 46 CO 0.41 -0.48 0.90 1.88 -1.33 0.00 0.00 177.39 178.76 3i98 h TYR 47 N 2.84 0.00 -2.24 -1.77 -1.99 -1.92 -3.44 116.97 108.44 3i98 h TYR 47 Ca -0.46 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 59.69 3i98 h TYR 47 Cb 1.28 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.90 3i98 h TYR 47 CO 0.52 0.00 -0.69 -1.12 -0.00 0.00 0.00 178.16 176.87 3i98 s SER 48 N -5.04 4.18 -1.51 3.88 0.01 -1.26 -5.02 113.70 108.94 3i98 s SER 48 Ca 0.05 -0.78 -0.10 0.00 1.31 0.00 0.00 55.95 56.43 3i98 s SER 48 Cb 0.09 -0.64 -0.10 0.00 0.21 0.00 0.00 66.02 65.58 3i98 s SER 48 CO 0.52 0.02 2.97 -0.81 0.41 0.00 0.00 173.24 176.35 3i98 n PRO 49 N -0.75 3.55 -3.35 12.44 -0.04 -1.26 -4.87 135.00 140.72 3i98 n PRO 49 Ca -0.06 -2.10 -0.22 0.00 -0.04 0.00 0.00 63.50 61.07 3i98 n PRO 49 Cb 0.59 -2.74 -0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3i98 n PRO 49 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i98 s PHE 50 N 2.15 3.33 0.05 0.54 0.08 -1.26 -5.14 117.98 117.73 3i98 s PHE 50 Ca 0.69 0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.92 3i98 s PHE 50 Cb 0.18 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3i98 s PHE 50 CO -0.06 -0.01 -0.10 -0.59 -0.10 0.00 0.00 175.22 174.36 3i98 s PHE 51 N -2.32 0.85 0.09 0.36 -0.12 -1.26 -4.40 117.98 111.18 3i98 s PHE 51 Ca 0.43 -0.45 -0.32 0.00 -0.05 0.00 0.00 56.93 56.54 3i98 s PHE 51 Cb -0.10 -0.50 -0.11 0.00 -0.63 0.00 0.00 43.02 41.69 3i98 s PHE 51 CO 0.35 -0.03 1.84 0.66 -0.05 0.00 0.00 175.22 177.98 3i98 n TYR 52 N 1.54 2.55 1.36 3.49 4.02 -0.58 -4.79 117.16 124.74 3i98 n TYR 52 Ca -0.21 -0.12 0.14 0.00 -0.01 0.00 0.00 57.90 57.70 3i98 n TYR 52 Cb 0.55 -2.71 0.60 0.00 -0.02 0.00 0.00 39.34 37.76 3i98 n TYR 52 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3i98 n PRO 53 N 5.75 0.59 -4.03 -0.72 -0.04 -1.26 -0.84 135.00 134.45 3i98 n PRO 53 Ca 0.19 -0.19 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 3i98 n PRO 53 Cb 0.36 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 3i98 n PRO 53 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i98 s VAL 54 N -2.54 0.13 -0.26 0.52 -7.23 -1.26 -4.91 120.40 104.85 3i98 s VAL 54 Ca 0.27 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 3i98 s VAL 54 Cb 0.20 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.44 3i98 s VAL 54 CO 0.49 -0.61 1.15 -1.81 -0.31 0.00 0.00 175.10 174.01 3i98 s ASP 55 N -2.95 6.92 -0.08 4.85 1.01 -0.83 -3.50 116.67 122.09 3i98 s ASP 55 Ca 0.14 1.30 0.02 0.00 0.71 0.00 0.00 52.55 54.71 3i98 s ASP 55 Cb 0.06 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 3i98 s ASP 55 CO -0.05 -0.85 -0.13 -0.47 0.21 0.00 0.00 175.17 173.89 3i98 s TYR 56 N 3.66 2.76 0.00 4.23 5.04 0.10 -0.62 117.35 132.52 3i98 s TYR 56 Ca 0.49 -0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 3i98 s TYR 56 Cb -0.16 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.45 3i98 s TYR 56 CO 0.14 0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.84 3i98 n GLY 57 N 2.69 2.53 3.19 8.97 0.00 -0.25 -0.06 105.19 122.26 3i98 n GLY 57 Ca -0.18 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 3i98 n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i98 s ILE 58 N -1.58 0.90 -0.23 -0.61 -4.36 -0.77 -0.91 121.20 113.64 3i98 s ILE 58 Ca 0.00 -1.88 -0.16 0.00 -0.26 0.00 0.00 60.65 58.35 3i98 s ILE 58 Cb 0.00 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 3i98 s ILE 58 CO 0.00 -0.74 0.42 -0.63 0.24 0.00 0.00 174.94 174.23 3i98 s ILE 59 N -3.18 5.16 0.66 8.37 1.01 -0.64 -0.79 121.20 131.79 3i98 s ILE 59 Ca 0.11 0.73 -0.17 0.00 0.00 0.00 0.00 60.65 61.31 3i98 s ILE 59 Cb 0.02 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 3i98 s ILE 59 CO -0.02 0.20 1.26 -2.84 0.00 0.00 0.00 174.94 173.54 3i98 s PRO 60 N 1.66 2.52 -1.42 2.79 0.02 -1.26 -3.33 135.00 135.98 3i98 s PRO 60 Ca 0.19 1.96 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 3i98 s PRO 60 Cb -0.15 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.56 3i98 s PRO 60 CO 0.09 -1.60 0.96 1.04 -0.33 0.00 0.00 177.00 177.16 3i98 n GLN 61 N -2.05 -5.99 -4.32 5.54 6.02 -0.35 -3.69 117.38 112.54 3i98 n GLN 61 Ca 0.15 0.67 -0.17 0.00 -0.01 0.00 0.00 57.00 57.64 3i98 n GLN 61 Cb 0.49 -5.53 -0.10 0.00 1.02 0.00 0.00 30.24 26.12 3i98 n GLN 61 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3i98 s THR 62 N -3.40 1.55 -0.15 5.09 -4.23 -1.21 -4.55 115.64 108.73 3i98 s THR 62 Ca 0.44 -2.16 -0.10 0.00 -1.18 0.00 0.00 61.69 58.69 3i98 s THR 62 Cb -0.21 -2.01 0.05 0.00 1.34 0.00 0.00 72.50 71.67 3i98 s THR 62 CO 0.80 -0.62 0.38 0.86 -0.54 0.00 0.00 174.62 175.49 3i98 s TRP 63 N -3.09 -0.51 0.44 3.99 -0.11 -0.69 -4.19 118.94 114.77 3i98 s TRP 63 Ca 0.21 1.14 0.06 0.00 1.22 0.00 0.00 56.10 58.73 3i98 s TRP 63 Cb 0.01 0.20 -0.04 0.00 -1.50 0.00 0.00 33.47 32.13 3i98 s TRP 63 CO 0.05 -0.29 0.14 -0.47 -4.62 0.00 0.00 176.95 171.76 3i98 s TYR 64 N 1.06 2.35 0.62 5.86 5.04 0.15 -4.39 117.35 128.04 3i98 s TYR 64 Ca -0.07 -0.70 0.30 0.00 -2.44 0.00 0.00 57.07 54.16 3i98 s TYR 64 Cb -0.07 -1.86 1.65 0.00 0.35 0.00 0.00 41.96 42.03 3i98 s TYR 64 CO -0.09 0.18 2.00 -0.44 -1.34 0.00 0.00 175.55 175.86 3i98 h ASP 65 N 1.41 0.00 -0.37 4.32 3.45 -1.87 -0.31 116.42 123.06 3i98 h ASP 65 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 3i98 h ASP 65 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3i98 h ASP 65 CO 0.72 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.49 3i98 n ASP 66 N -3.44 3.99 -2.92 6.45 5.75 -1.25 -4.85 116.55 120.27 3i98 n ASP 66 Ca 0.02 -2.58 -0.20 0.00 -0.01 0.00 0.00 54.79 52.03 3i98 n ASP 66 Cb 0.43 -0.61 0.05 0.00 -1.03 0.00 0.00 41.12 39.96 3i98 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i98 n GLY 67 N 0.43 -0.32 3.24 6.12 0.00 -0.13 -5.01 105.19 109.53 3i98 n GLY 67 Ca 0.18 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 3i98 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i98 s ASP 68 N -3.08 0.03 0.64 1.61 1.01 -1.25 -4.95 116.67 110.66 3i98 s ASP 68 Ca 0.41 -0.58 -0.17 0.00 0.71 0.00 0.00 52.55 52.92 3i98 s ASP 68 Cb -0.18 0.38 -0.06 0.00 1.01 0.00 0.00 42.92 44.07 3i98 s ASP 68 CO 0.51 -0.77 0.67 -2.65 0.21 0.00 0.00 175.17 173.13 3i98 n PRO 69 N -0.11 0.54 -2.53 8.23 -0.02 -1.26 -0.67 135.00 139.18 3i98 n PRO 69 Ca -0.15 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 3i98 n PRO 69 Cb 0.63 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 3i98 n PRO 69 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i98 s PHE 70 N -1.73 3.32 0.36 6.00 5.99 -1.26 -4.69 117.98 125.97 3i98 s PHE 70 Ca 0.70 1.35 -0.25 0.00 0.00 0.00 0.00 56.93 58.73 3i98 s PHE 70 Cb -0.40 -3.35 -0.10 0.00 0.00 0.00 0.00 43.02 39.18 3i98 s PHE 70 CO 0.53 -0.96 0.98 -0.51 -0.00 0.00 0.00 175.22 175.26 3i98 s ASP 71 N 1.31 7.11 -0.01 6.13 1.01 -1.26 -1.62 116.67 129.35 3i98 s ASP 71 Ca 0.54 1.90 0.01 0.00 0.71 0.00 0.00 52.55 55.71 3i98 s ASP 71 Cb -0.23 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.12 3i98 s ASP 71 CO 0.22 -0.23 -0.04 -0.51 0.21 0.00 0.00 175.17 174.82 3i98 s ILE 72 N -1.67 0.34 -0.17 0.77 2.07 -0.09 -1.39 121.20 121.06 3i98 s ILE 72 Ca 0.54 -0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 3i98 s ILE 72 Cb -0.19 -0.30 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 3i98 s ILE 72 CO 0.24 0.10 -0.09 -0.04 -1.91 0.00 0.00 174.94 173.24 3i98 s MET 73 N -0.03 3.39 -0.16 3.50 -1.94 0.82 -1.09 119.30 123.80 3i98 s MET 73 Ca 0.01 -0.65 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 3i98 s MET 73 Cb -0.02 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 34.00 3i98 s MET 73 CO -0.00 0.04 -0.11 0.08 -0.01 0.00 0.00 175.02 175.02 3i98 s VAL 74 N 0.83 3.10 -0.47 -6.03 1.01 0.21 -0.65 120.40 118.40 3i98 s VAL 74 Ca -0.03 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 3i98 s VAL 74 Cb -0.15 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.93 3i98 s VAL 74 CO 0.01 0.50 1.16 -0.63 0.00 0.00 0.00 175.10 176.14 3i98 s ILE 75 N 0.71 4.18 -0.05 2.22 1.01 -0.69 -1.96 121.20 126.63 3i98 s ILE 75 Ca -0.05 1.20 0.05 0.00 0.00 0.00 0.00 60.65 61.85 3i98 s ILE 75 Cb -0.15 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.73 3i98 s ILE 75 CO 0.02 -0.99 -0.20 -0.04 0.00 0.00 0.00 174.94 173.73 3i98 s MET 76 N 4.49 2.43 0.06 2.79 -1.94 -1.26 -4.27 119.30 121.60 3i98 s MET 76 Ca 0.49 -0.81 -0.19 0.00 -1.71 0.00 0.00 55.69 53.47 3i98 s MET 76 Cb -0.08 -2.25 -0.12 0.00 2.01 0.00 0.00 34.83 34.40 3i98 s MET 76 CO 0.32 0.54 1.41 0.00 -0.01 0.00 0.00 175.02 177.28 3i98 h ARG 77 N 5.58 0.41 -5.05 2.03 3.08 -2.02 -3.41 114.38 114.98 3i98 h ARG 77 Ca -0.42 -0.18 -0.66 0.00 0.07 0.00 0.00 59.98 58.79 3i98 h ARG 77 Cb 1.15 -0.01 -0.30 0.00 0.08 0.00 0.00 29.97 30.89 3i98 h ARG 77 CO 0.49 0.71 -0.77 -2.00 -1.07 0.00 0.00 179.97 177.34 3i98 s GLU 78 N -4.53 3.26 0.70 0.04 2.12 -1.26 -5.10 118.70 113.93 3i98 s GLU 78 Ca -0.14 -0.69 -0.16 0.00 0.36 0.00 0.00 54.97 54.34 3i98 s GLU 78 Cb 0.06 -2.83 0.02 0.00 0.26 0.00 0.00 34.13 31.64 3i98 s GLU 78 CO 0.76 -0.15 1.22 -2.14 -0.54 0.00 0.00 175.26 174.40 3i98 s PRO 79 N 1.29 2.30 0.65 4.30 0.02 -1.26 -5.03 135.00 137.26 3i98 s PRO 79 Ca 0.04 1.81 0.05 0.00 0.02 0.00 0.00 61.00 62.92 3i98 s PRO 79 Cb -0.14 -1.85 0.12 0.00 0.02 0.00 0.00 34.50 32.65 3i98 s PRO 79 CO -0.05 -1.73 0.89 1.33 -0.33 0.00 0.00 177.00 177.11 3i98 n VAL 80 N -2.46 0.00 -3.13 3.83 0.24 -1.26 -5.03 118.33 110.52 3i98 n VAL 80 Ca 0.14 -1.78 -0.29 0.00 -2.04 0.00 0.00 64.34 60.37 3i98 n VAL 80 Cb 0.50 -0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 32.16 3i98 n VAL 80 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3i98 s TYR 81 N -2.81 3.48 0.69 6.34 1.51 -1.26 -4.59 117.35 120.71 3i98 s TYR 81 Ca 0.63 0.78 -0.17 0.00 -1.01 0.00 0.00 57.07 57.31 3i98 s TYR 81 Cb -0.04 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.59 3i98 s TYR 81 CO 0.41 0.05 1.26 -2.30 -1.11 0.00 0.00 175.55 173.86 3i98 n PRO 82 N -1.17 0.87 -1.33 -1.71 -0.02 -1.26 -2.59 135.00 127.79 3i98 n PRO 82 Ca -0.00 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.73 3i98 n PRO 82 Cb 0.54 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 3i98 n PRO 82 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i98 n LEU 83 N -2.23 -0.80 -4.79 2.45 4.77 0.16 -5.00 117.00 111.55 3i98 n LEU 83 Ca 0.15 0.26 -0.38 0.00 -0.03 0.00 0.00 56.01 56.02 3i98 n LEU 83 Cb 0.49 -1.72 -0.06 0.00 -2.33 0.00 0.00 43.42 39.79 3i98 n LEU 83 CO 0.47 -0.56 0.11 -0.89 -1.33 0.00 0.00 177.39 175.20 3i98 s THR 84 N -2.40 5.10 -0.09 -5.08 2.01 -1.07 -4.84 115.64 109.27 3i98 s THR 84 Ca 0.00 0.84 -0.20 0.00 0.31 0.00 0.00 61.69 62.64 3i98 s THR 84 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3i98 s THR 84 CO 0.00 0.49 0.57 -0.63 -0.69 0.00 0.00 174.62 174.36 3i98 s ILE 85 N -0.43 5.11 -0.10 1.82 1.01 -1.26 -1.57 121.20 125.78 3i98 s ILE 85 Ca 0.24 1.17 0.04 0.00 0.00 0.00 0.00 60.65 62.09 3i98 s ILE 85 Cb -0.16 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3i98 s ILE 85 CO 0.11 0.31 -0.22 -0.63 0.00 0.00 0.00 174.94 174.51 3i98 s ILE 86 N 0.62 1.97 -0.22 2.92 1.01 -0.10 -4.96 121.20 122.44 3i98 s ILE 86 Ca 0.31 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 3i98 s ILE 86 Cb -0.16 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3i98 s ILE 86 CO 0.14 0.54 1.25 -1.61 0.00 0.00 0.00 174.94 175.26 3i98 s GLU 87 N 0.46 4.13 0.03 2.79 2.02 -1.26 -0.55 118.70 126.31 3i98 s GLU 87 Ca -0.16 1.48 0.05 0.00 0.02 0.00 0.00 54.97 56.36 3i98 s GLU 87 Cb -0.17 -3.79 -0.02 0.00 0.10 0.00 0.00 34.13 30.25 3i98 s GLU 87 CO 0.07 -0.84 -0.15 0.00 0.02 0.00 0.00 175.26 174.35 3i98 s ALA 88 N 3.76 1.25 -0.29 5.21 0.00 -0.27 -1.16 121.76 130.26 3i98 s ALA 88 Ca 0.54 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 3i98 s ALA 88 Cb -0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3i98 s ALA 88 CO 0.17 0.26 0.14 0.50 0.00 0.00 0.00 175.76 176.83 3i98 s ARG 89 N -0.98 3.55 0.21 0.00 3.52 0.32 -0.92 118.95 124.64 3i98 s ARG 89 Ca 0.03 -0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 3i98 s ARG 89 Cb -0.07 -3.54 -0.10 0.00 -1.56 0.00 0.00 34.95 29.68 3i98 s ARG 89 CO 0.01 -0.31 1.47 -2.14 -0.81 0.00 0.00 175.30 173.52 3i98 s PRO 90 N 1.65 4.26 0.00 5.12 0.02 -1.26 -1.76 135.00 143.03 3i98 s PRO 90 Ca 0.06 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3i98 s PRO 90 Cb -0.16 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3i98 s PRO 90 CO 0.07 -0.47 0.27 0.44 -0.33 0.00 0.00 177.00 176.97 3i98 n ILE 91 N 3.00 0.00 -1.07 2.83 -5.35 0.26 -4.85 119.36 114.18 3i98 n ILE 91 Ca 0.09 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3i98 n ILE 91 Cb 0.40 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 3i98 n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i98 n GLY 92 N 0.28 -1.36 3.18 3.28 0.00 -1.07 -1.04 105.19 108.46 3i98 n GLY 92 Ca 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 3i98 n GLY 92 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i98 s ILE 93 N -2.34 -0.02 -0.22 -0.61 2.07 -0.69 -0.89 121.20 118.49 3i98 s ILE 93 Ca 0.00 0.07 -0.16 0.00 -1.41 0.00 0.00 60.65 59.15 3i98 s ILE 93 Cb 0.00 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 3i98 s ILE 93 CO 0.00 0.03 0.43 -0.32 -1.91 0.00 0.00 174.94 173.16 3i98 s MET 94 N 0.87 4.13 -0.35 3.50 -2.45 0.43 -0.42 119.30 125.00 3i98 s MET 94 Ca -0.06 0.21 -0.17 0.00 -1.25 0.00 0.00 55.69 54.43 3i98 s MET 94 Cb -0.07 -3.58 -0.01 0.00 1.25 0.00 0.00 34.83 32.43 3i98 s MET 94 CO -0.06 -0.15 0.44 0.15 1.05 0.00 0.00 175.02 176.45 3i98 s LYS 95 N 1.66 3.57 0.03 4.11 1.02 0.40 -1.75 119.74 128.78 3i98 s LYS 95 Ca 0.19 -0.31 -0.08 0.00 0.02 0.00 0.00 55.97 55.80 3i98 s LYS 95 Cb -0.15 -3.81 -0.00 0.00 -0.52 0.00 0.00 37.83 33.34 3i98 s LYS 95 CO 0.09 -0.60 0.15 0.00 -0.92 0.00 0.00 175.35 174.07 3i98 s MET 96 N 2.20 0.60 -0.06 1.68 0.23 -1.26 -0.06 119.30 122.63 3i98 s MET 96 Ca 0.15 -0.59 0.04 0.00 -1.03 0.00 0.00 55.69 54.26 3i98 s MET 96 Cb -0.16 0.24 -0.02 0.00 -1.53 0.00 0.00 34.83 33.36 3i98 s MET 96 CO 0.12 -0.16 -0.16 -1.21 -2.03 0.00 0.00 175.02 171.59 3i98 s GLU 97 N -2.21 2.56 -0.28 3.16 2.02 0.35 -1.56 118.70 122.74 3i98 s GLU 97 Ca -0.08 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3i98 s GLU 97 Cb -0.03 -2.36 0.08 0.00 0.10 0.00 0.00 34.13 31.92 3i98 s GLU 97 CO -0.02 0.56 -0.01 0.34 0.02 0.00 0.00 175.26 176.15 3i98 s ASP 98 N -0.56 4.23 -1.35 -0.19 -1.08 -0.33 -0.76 116.67 116.63 3i98 s ASP 98 Ca 0.08 -1.57 -0.04 0.00 -0.52 0.00 0.00 52.55 50.49 3i98 s ASP 98 Cb -0.11 -1.31 0.02 0.00 -1.46 0.00 0.00 42.92 40.06 3i98 s ASP 98 CO 0.01 -0.30 0.83 -1.20 0.52 0.00 0.00 175.17 175.03 3i98 n SER 99 N 4.54 -2.50 0.00 -0.34 7.64 -1.26 -1.51 113.62 120.20 3i98 n SER 99 Ca -0.06 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.05 3i98 n SER 99 Cb 0.43 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.43 3i98 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i98 n GLY 100 N -1.59 2.48 3.78 0.23 0.00 -1.26 -5.02 105.19 103.81 3i98 n GLY 100 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3i98 n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i98 s ASP 101 N -3.37 7.22 -0.79 1.61 1.11 -0.57 -5.00 116.67 116.87 3i98 s ASP 101 Ca 0.00 1.45 -0.26 0.00 0.18 0.00 0.00 52.55 53.92 3i98 s ASP 101 Cb 0.00 -2.44 0.03 0.00 1.07 0.00 0.00 42.92 41.58 3i98 s ASP 101 CO 0.00 0.17 1.37 -0.75 1.18 0.00 0.00 175.17 177.14 3i98 s LYS 102 N -0.79 3.22 -0.58 8.23 2.20 -1.26 -1.18 119.74 129.58 3i98 s LYS 102 Ca 0.34 -0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 3i98 s LYS 102 Cb -0.21 -4.46 0.41 0.00 -1.51 0.00 0.00 37.83 32.06 3i98 s LYS 102 CO 0.23 -2.23 1.56 -3.47 -0.36 0.00 0.00 175.35 171.07 3i98 n ASP 103 N 9.62 6.10 -4.76 1.43 2.03 -0.60 -3.95 116.55 126.42 3i98 n ASP 103 Ca 0.11 -3.77 -0.35 0.00 0.52 0.00 0.00 54.79 51.30 3i98 n ASP 103 Cb 0.50 -0.71 0.04 0.00 -0.72 0.00 0.00 41.12 40.23 3i98 n ASP 103 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3i98 s TRP 104 N -3.77 2.44 -0.03 -0.67 0.52 -1.25 -4.51 118.94 111.68 3i98 s TRP 104 Ca 0.52 1.55 0.01 0.00 0.02 0.00 0.00 56.10 58.20 3i98 s TRP 104 Cb 0.43 -3.37 0.02 0.00 -1.15 0.00 0.00 33.47 29.41 3i98 s TRP 104 CO -0.20 -2.03 -0.01 0.15 0.02 0.00 0.00 176.95 174.88 3i98 s LYS 105 N -3.61 0.40 0.27 4.98 1.02 -0.72 -4.42 119.74 117.65 3i98 s LYS 105 Ca 0.73 0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.45 3i98 s LYS 105 Cb -0.26 -0.52 -0.09 0.00 -0.52 0.00 0.00 37.83 36.43 3i98 s LYS 105 CO 0.36 -0.10 1.15 0.08 -0.92 0.00 0.00 175.35 175.93 3i98 s VAL 106 N 0.85 3.39 -0.15 3.17 1.01 -0.49 -0.43 120.40 127.75 3i98 s VAL 106 Ca -0.09 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.18 3i98 s VAL 106 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3i98 s VAL 106 CO -0.01 0.30 0.03 -0.22 0.00 0.00 0.00 175.10 175.19 3i98 s LEU 107 N -1.23 3.67 0.10 3.92 2.96 -0.07 -0.13 118.68 127.91 3i98 s LEU 107 Ca 0.47 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.39 3i98 s LEU 107 Cb -0.33 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 3i98 s LEU 107 CO 0.42 0.24 0.17 0.00 -1.32 0.00 0.00 176.35 175.86 3i98 s ALA 108 N -0.04 0.02 0.18 5.97 0.00 0.18 -0.58 121.76 127.50 3i98 s ALA 108 Ca 0.05 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.27 3i98 s ALA 108 Cb -0.12 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 3i98 s ALA 108 CO 0.02 -0.52 -0.21 0.14 0.00 0.00 0.00 175.76 175.19 3i98 s VAL 109 N -3.91 2.08 0.22 0.00 -7.23 -0.72 -1.70 120.40 109.15 3i98 s VAL 109 Ca 0.10 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 3i98 s VAL 109 Cb 0.05 -1.99 -0.08 0.00 0.56 0.00 0.00 36.38 34.92 3i98 s VAL 109 CO -0.07 -0.23 1.11 -2.16 -0.31 0.00 0.00 175.10 173.44 3i98 s PRO 110 N -2.78 4.60 0.33 4.82 0.04 -1.26 -0.52 135.00 140.23 3i98 s PRO 110 Ca 0.19 1.77 0.04 0.00 0.04 0.00 0.00 61.00 63.04 3i98 s PRO 110 Cb -0.07 -3.24 0.57 0.00 0.04 0.00 0.00 34.50 31.81 3i98 s PRO 110 CO 0.08 0.10 1.86 0.28 0.04 0.00 0.00 177.00 179.37 3i98 h VAL 111 N 3.49 1.20 -0.88 -0.36 2.07 -1.48 -3.21 116.25 117.08 3i98 h VAL 111 Ca -0.45 -0.83 -0.39 0.00 0.82 0.00 0.00 66.70 65.85 3i98 h VAL 111 Cb 1.21 0.96 -0.23 0.00 -1.52 0.00 0.00 31.29 31.71 3i98 h VAL 111 CO 0.71 0.28 0.48 -0.62 0.02 0.00 0.00 177.57 178.44 3i98 n GLU 112 N -4.27 2.86 -4.06 1.57 -0.58 -1.26 -4.73 120.64 110.18 3i98 n GLU 112 Ca 0.01 -3.05 -0.33 0.00 -0.42 0.00 0.00 57.16 53.37 3i98 n GLU 112 Cb 0.26 -2.19 -0.15 0.00 -0.57 0.00 0.00 31.44 28.79 3i98 n GLU 112 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3i98 s ASP 113 N -1.22 4.03 0.38 1.62 -1.08 -1.22 -5.00 116.67 114.17 3i98 s ASP 113 Ca 0.56 -1.05 0.28 0.00 -0.52 0.00 0.00 52.55 51.82 3i98 s ASP 113 Cb 0.46 -1.56 1.19 0.00 -1.46 0.00 0.00 42.92 41.55 3i98 s ASP 113 CO 0.12 -0.12 1.83 1.55 0.52 0.00 0.00 175.17 179.06 3i98 h PRO 114 N 7.88 0.00 -1.03 4.34 0.13 -1.89 -2.36 132.00 139.07 3i98 h PRO 114 Ca -0.30 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.09 3i98 h PRO 114 Cb 1.09 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 3i98 h PRO 114 CO 0.54 0.00 0.67 -0.92 -0.23 0.00 0.00 178.00 178.06 3i98 h TYR 115 N 0.00 0.61 -0.61 1.56 5.03 -1.95 -1.80 116.97 119.80 3i98 h TYR 115 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3i98 h TYR 115 Cb 0.37 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.47 3i98 h TYR 115 CO 0.00 0.07 0.00 1.19 -1.32 0.00 0.00 178.16 178.10 3i98 n PHE 116 N -4.59 1.48 0.08 -3.82 3.01 -0.89 -4.60 117.46 108.15 3i98 n PHE 116 Ca 0.25 -0.64 0.14 0.00 1.01 0.00 0.00 57.45 58.21 3i98 n PHE 116 Cb 0.87 -0.27 0.64 0.00 -0.01 0.00 0.00 39.48 40.71 3i98 n PHE 116 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3i98 h ASN 117 N 3.88 0.06 -0.63 4.37 2.35 -1.46 -1.43 115.58 122.72 3i98 h ASN 117 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i98 h ASN 117 Cb 1.49 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.84 3i98 h ASN 117 CO 0.25 0.04 0.00 0.47 -1.65 0.00 0.00 177.43 176.54 3i98 n ASP 118 N -4.45 3.75 -4.51 5.81 8.00 -1.26 -4.80 116.55 119.09 3i98 n ASP 118 Ca 0.05 -1.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.13 3i98 n ASP 118 Cb 0.38 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 3i98 n ASP 118 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i98 s TRP 119 N -1.08 3.00 0.00 1.24 0.52 -0.54 -4.83 118.94 117.25 3i98 s TRP 119 Ca 0.44 -0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.44 3i98 s TRP 119 Cb 0.23 -3.58 0.00 0.00 -1.15 0.00 0.00 33.47 28.97 3i98 s TRP 119 CO 0.31 -1.02 0.00 1.63 0.02 0.00 0.00 176.95 177.89 3i98 n LYS 120 N 6.54 4.31 -4.18 4.98 5.02 -1.26 -4.97 118.16 128.60 3i98 n LYS 120 Ca -0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 3i98 n LYS 120 Cb 0.47 -0.43 -0.08 0.00 -0.02 0.00 0.00 35.03 34.98 3i98 n LYS 120 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i98 s ASP 121 N -0.80 0.69 0.45 4.39 2.15 -1.26 -4.71 116.67 117.58 3i98 s ASP 121 Ca 0.00 -1.46 0.22 0.00 0.43 0.00 0.00 52.55 51.74 3i98 s ASP 121 Cb 0.00 0.50 1.07 0.00 -0.30 0.00 0.00 42.92 44.19 3i98 s ASP 121 CO 0.00 -1.01 1.92 -0.29 -0.17 0.00 0.00 175.17 175.62 3i98 h ILE 122 N 2.36 0.78 0.00 4.11 6.09 -1.40 -2.78 117.51 126.67 3i98 h ILE 122 Ca -0.30 -0.95 0.00 0.00 -1.37 0.00 0.00 64.86 62.23 3i98 h ILE 122 Cb 1.24 1.58 0.00 0.00 0.47 0.00 0.00 36.82 40.11 3i98 h ILE 122 CO 0.44 0.23 0.00 -1.54 -3.07 0.00 0.00 178.15 174.21 3i98 n SER 123 N -3.70 0.00 0.01 2.19 3.41 -1.26 -2.61 113.62 111.66 3i98 n SER 123 Ca -0.01 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.97 3i98 n SER 123 Cb 0.35 -0.40 0.37 0.00 -0.26 0.00 0.00 64.21 64.27 3i98 n SER 123 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i98 n ASP 124 N -1.40 0.36 -4.76 4.04 8.00 -1.05 -4.87 116.55 116.87 3i98 n ASP 124 Ca 0.08 0.04 -0.39 0.00 0.71 0.00 0.00 54.79 55.23 3i98 n ASP 124 Cb 0.22 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3i98 n ASP 124 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i98 s VAL 125 N -3.01 4.95 0.28 2.53 1.01 -1.07 -4.99 120.40 120.10 3i98 s VAL 125 Ca 0.12 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 3i98 s VAL 125 Cb 0.18 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 3i98 s VAL 125 CO 0.64 0.41 1.54 -2.65 0.00 0.00 0.00 175.10 175.05 3i98 n PRO 126 N 2.82 2.53 -0.33 2.72 -0.02 -1.26 -4.87 135.00 136.60 3i98 n PRO 126 Ca -0.07 0.90 0.04 0.00 -2.02 0.00 0.00 63.50 62.35 3i98 n PRO 126 Cb 0.51 -2.65 0.22 0.00 -0.02 0.00 0.00 33.50 31.56 3i98 n PRO 126 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i98 h LYS 127 N 4.58 1.04 -0.13 -0.52 1.63 -1.95 -1.13 116.57 120.08 3i98 h LYS 127 Ca -0.47 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.27 3i98 h LYS 127 Cb 1.24 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 3i98 h LYS 127 CO 0.78 0.69 0.07 0.00 -3.45 0.00 0.00 179.45 177.54 3i98 h ALA 128 N 1.49 1.88 -0.20 5.00 0.00 -1.99 -0.99 119.26 124.45 3i98 h ALA 128 Ca 0.41 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.12 3i98 h ALA 128 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i98 h ALA 128 CO -0.16 0.11 -0.56 0.35 0.00 0.00 0.00 179.25 178.98 3i98 h PHE 129 N 0.18 0.94 -0.73 0.00 3.57 -1.57 -0.92 116.94 118.41 3i98 h PHE 129 Ca 0.05 -0.37 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 3i98 h PHE 129 Cb 0.01 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 3i98 h PHE 129 CO 0.00 1.18 0.45 -0.07 -2.23 0.00 0.00 178.31 177.64 3i98 h LEU 130 N 0.44 0.86 -0.78 0.59 3.38 -1.23 -1.78 115.31 116.79 3i98 h LEU 130 Ca -0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3i98 h LEU 130 Cb 1.18 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3i98 h LEU 130 CO 0.12 0.65 0.52 0.44 0.09 0.00 0.00 178.44 180.26 3i98 h ASP 131 N 0.99 0.89 -0.24 -0.43 3.32 -1.04 -1.41 116.42 118.49 3i98 h ASP 131 Ca 0.26 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3i98 h ASP 131 Cb -0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3i98 h ASP 131 CO -0.05 0.64 -0.19 1.05 -1.72 0.00 0.00 179.24 178.97 3i98 h GLU 132 N 1.05 0.69 -0.10 3.56 4.11 -0.77 0.21 114.58 123.33 3i98 h GLU 132 Ca 0.29 -0.25 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 3i98 h GLU 132 Cb -0.11 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3i98 h GLU 132 CO -0.07 0.83 0.01 0.82 0.07 0.00 0.00 179.01 180.67 3i98 h ILE 133 N 0.61 1.23 -0.65 -1.06 2.04 -1.11 -2.11 117.51 116.46 3i98 h ILE 133 Ca 0.09 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3i98 h ILE 133 Cb 0.66 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3i98 h ILE 133 CO 0.05 0.20 0.41 0.00 0.00 0.00 0.00 178.15 178.81 3i98 h ALA 134 N 0.77 0.85 -0.74 1.87 0.00 -1.04 -2.32 119.26 118.65 3i98 h ALA 134 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i98 h ALA 134 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3i98 h ALA 134 CO 0.00 0.17 0.27 1.25 0.00 0.00 0.00 179.25 180.95 3i98 h HIS 135 N 0.80 1.14 -0.03 0.00 -0.00 -0.93 0.10 115.15 116.23 3i98 h HIS 135 Ca 0.26 -0.09 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 3i98 h HIS 135 Cb 0.01 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.04 3i98 h HIS 135 CO -0.05 0.87 -0.18 0.35 -0.00 0.00 0.00 177.93 178.92 3i98 h PHE 136 N 1.08 -0.48 0.00 5.26 3.57 -1.02 -1.81 116.94 123.54 3i98 h PHE 136 Ca 0.24 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 3i98 h PHE 136 Cb 0.24 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3i98 h PHE 136 CO 0.02 -0.26 -0.26 0.74 -2.23 0.00 0.00 178.31 176.31 3i98 h PHE 137 N -0.29 0.00 -0.22 0.41 0.04 -0.99 0.09 116.94 115.98 3i98 h PHE 137 Ca 0.06 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.71 3i98 h PHE 137 Cb 0.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 3i98 h PHE 137 CO -0.25 0.26 -0.39 0.37 -0.60 0.00 0.00 178.31 177.71 3i98 h GLN 138 N 0.00 0.50 0.00 1.51 4.15 -0.38 -3.37 115.11 117.52 3i98 h GLN 138 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3i98 h GLN 138 Cb 0.76 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 3i98 h GLN 138 CO 0.03 0.81 -0.34 0.54 -1.93 0.00 0.00 178.83 177.95 3i98 n ARG 139 N -4.04 4.81 0.26 1.69 5.12 -0.72 -4.26 116.66 119.53 3i98 n ARG 139 Ca -0.01 -0.00 0.18 0.00 -1.93 0.00 0.00 57.85 56.08 3i98 n ARG 139 Cb 0.50 -0.78 0.81 0.00 -1.16 0.00 0.00 32.46 31.83 3i98 n ARG 139 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 3i98 h TYR 140 N 0.00 0.00 -0.29 -1.55 -0.00 -1.15 -1.13 116.97 112.85 3i98 h TYR 140 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3i98 h TYR 140 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.86 3i98 h TYR 140 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 3i98 n LYS 141 N -2.89 2.87 -0.35 0.10 5.02 -1.26 -4.55 118.16 117.10 3i98 n LYS 141 Ca -0.00 -2.26 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 3i98 n LYS 141 Cb 0.20 -1.43 0.14 0.00 -0.02 0.00 0.00 35.03 33.93 3i98 n LYS 141 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3i98 h GLU 142 N 1.79 1.13 0.00 1.97 4.81 -1.33 0.20 114.58 123.15 3i98 h GLU 142 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i98 h GLU 142 Cb 0.93 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3i98 h GLU 142 CO 0.07 0.74 0.00 1.28 -0.73 0.00 0.00 179.01 180.37 3i98 n LEU 143 N -4.51 0.20 -0.70 1.64 4.77 -1.26 -1.24 117.00 115.90 3i98 n LEU 143 Ca 0.13 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.74 3i98 n LEU 143 Cb 0.12 -0.50 0.28 0.00 -2.33 0.00 0.00 43.42 41.00 3i98 n LEU 143 CO 0.33 -0.25 0.72 0.00 -1.33 0.00 0.00 177.39 176.86 3i98 n GLN 144 N -1.71 1.90 -2.86 3.23 6.02 0.04 -4.93 117.38 119.07 3i98 n GLN 144 Ca 0.04 -1.37 -0.14 0.00 -0.01 0.00 0.00 57.00 55.52 3i98 n GLN 144 Cb 0.24 -1.38 0.03 0.00 1.02 0.00 0.00 30.24 30.16 3i98 n GLN 144 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i98 n GLY 145 N 1.18 -0.01 2.75 1.08 0.00 -0.37 -5.00 105.19 104.82 3i98 n GLY 145 Ca 0.16 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3i98 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i98 s LYS 146 N -5.41 1.49 0.03 1.61 1.02 -1.07 -5.05 119.74 112.36 3i98 s LYS 146 Ca 0.24 -2.25 -0.36 0.00 0.02 0.00 0.00 55.97 53.62 3i98 s LYS 146 Cb -0.10 -2.54 -0.15 0.00 -0.52 0.00 0.00 37.83 34.52 3i98 s LYS 146 CO 0.29 -1.18 1.55 0.25 -0.92 0.00 0.00 175.35 175.34 3i98 n THR 147 N 3.26 0.13 -4.46 2.17 -2.24 -1.26 -4.00 114.28 107.88 3i98 n THR 147 Ca 0.11 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.62 3i98 n THR 147 Cb 0.35 -1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 3i98 n THR 147 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i98 s THR 148 N 1.57 2.49 -0.18 4.28 -4.23 -1.26 -4.21 115.64 114.11 3i98 s THR 148 Ca 0.86 -2.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3i98 s THR 148 Cb -0.86 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 70.70 3i98 s THR 148 CO 0.48 -0.35 -0.16 -0.75 -0.54 0.00 0.00 174.62 173.29 3i98 s LYS 149 N -3.38 3.12 -0.34 3.99 2.47 0.06 -4.89 119.74 120.78 3i98 s LYS 149 Ca 0.29 -0.77 -0.14 0.00 -1.56 0.00 0.00 55.97 53.78 3i98 s LYS 149 Cb -0.06 -2.65 -0.01 0.00 -1.46 0.00 0.00 37.83 33.65 3i98 s LYS 149 CO 0.14 -0.13 0.32 0.42 0.16 0.00 0.00 175.35 176.26 3i98 s ILE 150 N 1.15 5.21 -0.13 5.43 -1.09 -1.26 -0.49 121.20 130.01 3i98 s ILE 150 Ca 0.01 -0.05 0.18 0.00 -2.23 0.00 0.00 60.65 58.56 3i98 s ILE 150 Cb -0.14 -3.78 -0.15 0.00 -1.58 0.00 0.00 42.46 36.80 3i98 s ILE 150 CO -0.07 -0.06 0.74 -0.62 -1.23 0.00 0.00 174.94 173.70 3i98 n GLU 151 N 5.28 0.63 -0.60 2.79 1.02 0.91 -4.99 120.64 125.68 3i98 n GLU 151 Ca -0.10 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3i98 n GLU 151 Cb 0.49 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3i98 n GLU 151 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i98 n GLY 152 N 1.39 0.69 3.23 0.62 0.00 -1.13 -4.98 105.19 105.01 3i98 n GLY 152 Ca -0.10 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 3i98 n GLY 152 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i98 s TRP 153 N -2.52 2.30 0.28 1.61 0.52 -1.26 -0.45 118.94 119.42 3i98 s TRP 153 Ca 0.00 -0.72 0.06 0.00 0.02 0.00 0.00 56.10 55.46 3i98 s TRP 153 Cb 0.00 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 3i98 s TRP 153 CO 0.00 -0.24 0.34 0.20 0.02 0.00 0.00 176.95 177.27 3i98 s GLY 154 N -0.04 1.42 0.77 0.98 0.00 0.43 -4.94 107.32 105.94 3i98 s GLY 154 Ca -0.06 -1.38 -0.09 0.00 0.00 0.00 0.00 44.72 43.19 3i98 s GLY 154 CO 0.04 -1.37 1.05 1.16 0.00 0.00 0.00 173.10 173.99 3i98 n ASN 155 N -1.41 0.54 -0.38 1.64 2.04 -1.26 -1.71 115.26 114.73 3i98 n ASN 155 Ca -0.06 -1.66 -0.00 0.00 -0.44 0.00 0.00 54.58 52.42 3i98 n ASN 155 Cb 0.58 -0.76 0.13 0.00 -2.53 0.00 0.00 39.78 37.20 3i98 n ASN 155 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3i98 h ALA 156 N -1.32 1.31 -0.44 -2.53 0.00 -1.83 -1.58 119.26 112.87 3i98 h ALA 156 Ca -0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3i98 h ALA 156 Cb 1.06 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3i98 h ALA 156 CO 0.29 0.59 0.23 0.93 0.00 0.00 0.00 179.25 181.28 3i98 h GLU 157 N 1.30 0.63 -0.55 0.00 3.07 -1.93 -1.23 114.58 115.87 3i98 h GLU 157 Ca 0.39 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 3i98 h GLU 157 Cb -0.05 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.72 3i98 h GLU 157 CO -0.11 0.51 0.30 1.49 -1.40 0.00 0.00 179.01 179.81 3i98 h GLU 158 N 0.58 0.76 -0.73 2.33 4.81 -1.82 -2.23 114.58 118.28 3i98 h GLU 158 Ca 0.15 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3i98 h GLU 158 Cb 0.08 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 3i98 h GLU 158 CO -0.02 0.58 0.46 0.00 -0.73 0.00 0.00 179.01 179.30 3i98 h ALA 159 N 1.14 0.96 -0.64 2.92 0.00 -1.06 -1.83 119.26 120.75 3i98 h ALA 159 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3i98 h ALA 159 Cb 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3i98 h ALA 159 CO -0.03 0.25 0.09 0.87 0.00 0.00 0.00 179.25 180.42 3i98 h LYS 160 N 0.90 1.07 -0.42 0.00 1.57 -0.99 -0.46 116.57 118.24 3i98 h LYS 160 Ca 0.29 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3i98 h LYS 160 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3i98 h LYS 160 CO -0.11 0.99 -0.02 0.00 -0.57 0.00 0.00 179.45 179.74 3i98 h ARG 161 N 1.00 0.68 -0.23 3.15 3.08 -1.09 -2.07 114.38 118.90 3i98 h ARG 161 Ca 0.19 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 3i98 h ARG 161 Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3i98 h ARG 161 CO 0.02 0.71 -0.44 0.93 -1.07 0.00 0.00 179.97 180.11 3i98 h GLU 162 N 0.64 0.57 -0.46 0.04 4.39 -0.88 -2.02 114.58 116.86 3i98 h GLU 162 Ca 0.13 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 3i98 h GLU 162 Cb 0.42 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3i98 h GLU 162 CO 0.02 0.90 0.18 0.82 -1.16 0.00 0.00 179.01 179.77 3i98 h ILE 163 N 0.46 1.21 -0.80 3.13 2.04 -0.78 -1.21 117.51 121.57 3i98 h ILE 163 Ca 0.03 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3i98 h ILE 163 Cb 0.96 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3i98 h ILE 163 CO 0.09 0.24 0.44 -0.07 0.00 0.00 0.00 178.15 178.85 3i98 h LEU 164 N 0.61 0.99 -0.79 1.44 3.38 -1.29 -1.09 115.31 118.57 3i98 h LEU 164 Ca 0.15 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3i98 h LEU 164 Cb 0.21 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3i98 h LEU 164 CO -0.01 0.80 0.46 0.03 0.09 0.00 0.00 178.44 179.81 3i98 h ARG 165 N 1.10 0.79 -0.15 1.13 3.08 -1.10 -2.36 114.38 116.87 3i98 h ARG 165 Ca 0.28 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.12 3i98 h ARG 165 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3i98 h ARG 165 CO -0.05 0.52 -0.58 0.00 -1.07 0.00 0.00 179.97 178.80 3i98 h ALA 166 N 1.41 0.72 -0.64 0.04 0.00 -0.49 -0.20 119.26 120.09 3i98 h ALA 166 Ca 0.36 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3i98 h ALA 166 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3i98 h ALA 166 CO -0.21 0.70 0.14 0.82 0.00 0.00 0.00 179.25 180.71 3i98 h ILE 167 N 0.36 1.26 -0.20 0.00 2.04 -1.03 -1.64 117.51 118.30 3i98 h ILE 167 Ca 0.00 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 3i98 h ILE 167 Cb 1.11 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3i98 h ILE 167 CO 0.10 0.36 -0.03 -0.08 0.00 0.00 0.00 178.15 178.51 3i98 h GLU 168 N 0.96 0.37 -0.49 2.37 4.81 -1.10 -2.52 114.58 118.98 3i98 h GLU 168 Ca 0.20 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3i98 h GLU 168 Cb 0.38 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3i98 h GLU 168 CO 0.01 0.60 0.33 0.52 -0.73 0.00 0.00 179.01 179.74 3i98 h MET 169 N 0.10 0.33 -0.32 1.92 2.86 -0.93 -1.31 114.93 117.58 3i98 h MET 169 Ca 0.05 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3i98 h MET 169 Cb 0.46 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3i98 h MET 169 CO 0.02 0.22 -0.05 -0.92 1.06 0.00 0.00 176.91 177.24 3i98 h TYR 170 N 0.34 0.66 -0.32 -0.22 5.03 -1.15 -2.11 116.97 119.19 3i98 h TYR 170 Ca 0.22 -0.13 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 3i98 h TYR 170 Cb 0.42 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 3i98 h TYR 170 CO -0.00 0.75 0.11 0.87 -1.32 0.00 0.00 178.16 178.57 3i98 h LYS 171 N 0.37 0.45 -0.08 1.82 1.57 -0.84 0.15 116.57 120.02 3i98 h LYS 171 Ca 0.08 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3i98 h LYS 171 Cb 0.52 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3i98 h LYS 171 CO 0.03 0.39 -0.17 0.93 -0.57 0.00 0.00 179.45 180.06 3i98 h GLU 172 N 0.45 0.25 -0.22 3.15 4.39 -1.22 -2.36 114.58 119.01 3i98 h GLU 172 Ca 0.11 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 3i98 h GLU 172 Cb 0.12 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3i98 h GLU 172 CO -0.01 0.76 -0.59 -0.22 -1.16 0.00 0.00 179.01 177.79 3i98 h LYS 173 N -0.23 0.74 -2.19 2.33 3.64 -1.17 -3.35 116.57 116.34 3i98 h LYS 173 Ca 0.00 -0.49 -0.60 0.00 -1.27 0.00 0.00 60.65 58.29 3i98 h LYS 173 Cb 0.76 0.07 -0.42 0.00 -0.41 0.00 0.00 32.23 32.23 3i98 h LYS 173 CO 0.04 1.11 -0.62 1.19 -2.27 0.00 0.00 179.45 178.90 3i98 n PHE 174 N -3.97 3.42 -0.50 1.91 3.72 0.51 -5.10 117.46 117.45 3i98 n PHE 174 Ca -0.04 -4.13 0.00 0.00 -0.05 0.00 0.00 57.45 53.23 3i98 n PHE 174 Cb 0.64 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3i98 n PHE 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12