#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fm0 s GLU 3 N 0.00 3.41 -0.06 0.00 2.02 -1.26 -4.91 118.70 117.90 1fm0 s GLU 3 Ca 0.00 1.10 0.03 0.00 0.02 0.00 0.00 54.97 56.12 1fm0 s GLU 3 Cb 0.00 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.19 1fm0 s GLU 3 CO 0.00 -0.73 -0.13 0.99 0.02 0.00 0.00 175.26 175.41 1fm0 s THR 4 N -2.60 1.18 -0.23 3.63 2.01 -1.26 -2.76 115.64 115.60 1fm0 s THR 4 Ca 0.61 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1fm0 s THR 4 Cb -0.14 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 1fm0 s THR 4 CO 0.39 0.36 0.04 -0.75 -0.69 0.00 0.00 174.62 173.96 1fm0 s LYS 5 N 0.52 3.60 -0.13 4.92 2.20 -0.23 -5.01 119.74 125.62 1fm0 s LYS 5 Ca -0.12 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 1fm0 s LYS 5 Cb -0.15 -3.22 0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1fm0 s LYS 5 CO 0.03 -0.14 -0.16 0.42 -0.36 0.00 0.00 175.35 175.14 1fm0 s ILE 6 N 1.45 1.64 -0.05 5.43 -1.09 -1.26 -0.91 121.20 126.40 1fm0 s ILE 6 Ca 0.05 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.77 1fm0 s ILE 6 Cb -0.15 -1.50 0.02 0.00 -1.58 0.00 0.00 42.46 39.26 1fm0 s ILE 6 CO 0.02 0.47 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.47 1fm0 s VAL 7 N 1.12 0.52 -0.13 2.92 1.01 -0.64 -5.02 120.40 120.19 1fm0 s VAL 7 Ca -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1fm0 s VAL 7 Cb -0.14 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1fm0 s VAL 7 CO -0.05 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 174.48 1fm0 s VAL 8 N 1.08 1.29 -0.06 2.92 1.01 -1.26 -1.61 120.40 123.77 1fm0 s VAL 8 Ca -0.09 -0.46 -0.32 0.00 0.00 0.00 0.00 61.98 61.12 1fm0 s VAL 8 Cb -0.14 -1.25 0.13 0.00 0.00 0.00 0.00 36.38 35.12 1fm0 s VAL 8 CO -0.01 0.41 1.38 -0.83 0.00 0.00 0.00 175.10 176.05 1fm0 s GLY 9 N 1.59 -0.44 0.38 4.51 0.00 -1.13 -5.01 107.32 107.22 1fm0 s GLY 9 Ca 0.05 0.78 0.20 0.00 0.00 0.00 0.00 44.72 45.74 1fm0 s GLY 9 CO -0.09 0.81 1.66 -0.56 0.00 0.00 0.00 173.10 174.92 1fm0 h PRO 10 N 2.00 0.00 -6.97 2.90 0.13 -1.90 -2.75 132.00 125.41 1fm0 h PRO 10 Ca -0.31 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.27 1fm0 h PRO 10 Cb 1.19 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.45 1fm0 h PRO 10 CO 0.29 0.32 0.63 1.04 -0.23 0.00 0.00 178.00 180.06 1fm0 n GLN 11 N -3.31 2.04 -1.61 0.86 3.00 -1.26 -4.71 117.38 112.39 1fm0 n GLN 11 Ca 0.01 0.73 -0.33 0.00 -0.01 0.00 0.00 57.00 57.40 1fm0 n GLN 11 Cb 0.56 -2.57 0.06 0.00 0.00 0.00 0.00 30.24 28.29 1fm0 n GLN 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1fm0 s PRO 12 N -2.53 2.57 0.34 -1.09 0.04 -1.26 -4.93 135.00 128.14 1fm0 s PRO 12 Ca 0.64 1.43 0.10 0.00 0.04 0.00 0.00 61.00 63.21 1fm0 s PRO 12 Cb -0.45 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 1fm0 s PRO 12 CO 0.55 -1.44 -0.08 -0.59 0.04 0.00 0.00 177.00 175.49 1fm0 s PHE 13 N -2.35 2.43 -0.12 0.56 -0.12 -1.26 -5.14 117.98 111.97 1fm0 s PHE 13 Ca 0.68 -0.46 -0.01 0.00 -0.05 0.00 0.00 56.93 57.09 1fm0 s PHE 13 Cb -0.22 -1.36 0.03 0.00 -0.63 0.00 0.00 43.02 40.84 1fm0 s PHE 13 CO 0.44 0.58 -0.06 0.45 -0.05 0.00 0.00 175.22 176.58 1fm0 s SER 14 N -3.62 2.28 0.34 1.98 0.15 -1.26 -5.02 113.70 108.54 1fm0 s SER 14 Ca 0.33 -0.37 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1fm0 s SER 14 Cb 0.01 -0.81 0.69 0.00 -1.71 0.00 0.00 66.02 64.20 1fm0 s SER 14 CO 0.17 -0.15 1.91 0.58 1.20 0.00 0.00 173.24 176.95 1fm0 h VAL 15 N 6.25 0.97 0.00 4.45 2.07 -2.01 -0.45 116.25 127.53 1fm0 h VAL 15 Ca -0.27 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1fm0 h VAL 15 Cb 1.13 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1fm0 h VAL 15 CO 0.39 0.15 -0.11 1.23 0.02 0.00 0.00 177.57 179.25 1fm0 h GLY 16 N 0.84 0.00 1.60 2.17 0.00 -2.01 -0.34 103.07 105.33 1fm0 h GLY 16 Ca 0.39 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.50 1fm0 h GLY 16 CO -0.16 0.00 -1.23 0.83 0.00 0.00 0.00 176.54 175.98 1fm0 h GLU 17 N 0.00 0.00 0.02 4.80 5.08 -1.53 -3.38 114.58 119.57 1fm0 h GLU 17 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1fm0 h GLU 17 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1fm0 h GLU 17 CO 0.01 0.75 -1.49 0.93 -1.00 0.00 0.00 179.01 178.22 1fm0 h GLU 18 N 0.00 0.05 -0.34 2.33 4.39 -0.84 -3.40 114.58 116.77 1fm0 h GLU 18 Ca -0.11 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1fm0 h GLU 18 Cb 1.81 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.48 1fm0 h GLU 18 CO 0.10 0.76 0.20 -0.92 -1.16 0.00 0.00 179.01 177.99 1fm0 h TYR 19 N 0.01 0.44 -0.67 4.33 3.20 -1.25 -2.98 116.97 120.05 1fm0 h TYR 19 Ca -0.20 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.76 1fm0 h TYR 19 Cb 1.94 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 40.00 1fm0 h TYR 19 CO 0.01 0.33 0.30 -1.35 -1.64 0.00 0.00 178.16 175.81 1fm0 h PRO 20 N 0.43 0.50 -0.36 1.82 0.11 -1.78 -1.35 132.00 131.37 1fm0 h PRO 20 Ca 0.12 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1fm0 h PRO 20 Cb 0.02 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1fm0 h PRO 20 CO -0.02 0.33 0.05 2.35 -0.21 0.00 0.00 178.00 180.50 1fm0 h TRP 21 N 0.52 0.65 -0.83 0.65 7.01 -1.82 -2.58 115.95 119.54 1fm0 h TRP 21 Ca 0.34 -0.09 0.07 0.00 2.11 0.00 0.00 58.89 61.31 1fm0 h TRP 21 Cb 0.39 -0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 27.21 1fm0 h TRP 21 CO -0.13 0.66 0.50 1.25 -2.79 0.00 0.00 178.44 177.93 1fm0 h LEU 22 N 0.44 0.77 -2.50 0.65 5.85 -1.24 -2.89 115.31 116.40 1fm0 h LEU 22 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1fm0 h LEU 22 Cb 0.37 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1fm0 h LEU 22 CO 0.01 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 178.59 1fm0 n ALA 23 N -2.36 2.65 -0.09 1.25 0.00 -0.57 -4.68 120.51 116.72 1fm0 n ALA 23 Ca 0.12 -1.21 -0.08 0.00 0.00 0.00 0.00 53.44 52.26 1fm0 n ALA 23 Cb 0.20 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.74 1fm0 n ALA 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1fm0 h GLU 24 N 3.64 0.80 -6.51 0.00 4.81 -1.23 -3.45 114.58 112.64 1fm0 h GLU 24 Ca 0.00 -0.34 -0.53 0.00 -0.13 0.00 0.00 59.36 58.36 1fm0 h GLU 24 Cb 1.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1fm0 h GLU 24 CO 0.08 0.96 0.47 1.03 -0.73 0.00 0.00 179.01 180.82 1fm0 s ARG 25 N -4.58 4.53 0.48 1.92 0.52 -1.26 -4.94 118.95 115.62 1fm0 s ARG 25 Ca -0.10 1.62 0.14 0.00 -0.52 0.00 0.00 55.73 56.88 1fm0 s ARG 25 Cb 0.13 -3.37 1.14 0.00 0.52 0.00 0.00 34.95 33.37 1fm0 s ARG 25 CO 0.84 -0.08 2.10 -0.44 0.02 0.00 0.00 175.30 177.74 1fm0 h ASP 26 N 6.30 0.17 1.30 0.23 3.32 -2.01 -1.97 116.42 123.76 1fm0 h ASP 26 Ca -0.42 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1fm0 h ASP 26 Cb 1.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1fm0 h ASP 26 CO 0.76 0.12 0.00 1.05 -1.72 0.00 0.00 179.24 179.45 1fm0 h GLU 27 N 0.20 0.00 -4.69 3.56 9.09 -1.98 -3.36 114.58 117.40 1fm0 h GLU 27 Ca 0.09 0.00 -0.73 0.00 0.05 0.00 0.00 59.36 58.77 1fm0 h GLU 27 Cb 0.12 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 27.06 1fm0 h GLU 27 CO -0.02 0.00 1.58 -0.25 0.05 0.00 0.00 179.01 180.38 1fm0 n ASP 28 N -2.93 5.15 0.09 3.06 8.00 -0.74 -4.45 116.55 124.72 1fm0 n ASP 28 Ca 0.02 -2.99 0.13 0.00 0.71 0.00 0.00 54.79 52.66 1fm0 n ASP 28 Cb 0.37 -1.58 0.36 0.00 -0.02 0.00 0.00 41.12 40.25 1fm0 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fm0 n GLY 29 N 4.06 -1.62 3.10 0.44 0.00 -1.06 -4.72 105.19 105.38 1fm0 n GLY 29 Ca 0.39 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 1fm0 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fm0 s ALA 30 N -3.11 1.84 -0.12 4.61 0.00 -0.38 -4.98 121.76 119.62 1fm0 s ALA 30 Ca 0.10 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1fm0 s ALA 30 Cb 0.13 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1fm0 s ALA 30 CO 0.62 -0.01 -0.12 0.08 0.00 0.00 0.00 175.76 176.33 1fm0 s VAL 31 N 0.85 1.35 -0.08 0.00 1.01 -1.26 -1.82 120.40 120.45 1fm0 s VAL 31 Ca -0.09 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1fm0 s VAL 31 Cb -0.15 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1fm0 s VAL 31 CO 0.00 0.42 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 1fm0 s VAL 32 N 1.39 2.50 0.12 2.92 1.01 -0.18 -5.01 120.40 123.15 1fm0 s VAL 32 Ca 0.01 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.18 1fm0 s VAL 32 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1fm0 s VAL 32 CO -0.07 0.56 -0.21 0.42 0.00 0.00 0.00 175.10 175.80 1fm0 s THR 33 N -0.12 1.79 -0.05 3.92 -4.23 -1.26 -0.94 115.64 114.75 1fm0 s THR 33 Ca -0.04 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1fm0 s THR 33 Cb -0.14 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.06 1fm0 s THR 33 CO 0.04 -0.09 -0.10 0.12 -0.54 0.00 0.00 174.62 174.05 1fm0 s PHE 34 N -1.31 1.16 -0.09 3.99 5.36 0.15 -5.00 117.98 122.24 1fm0 s PHE 34 Ca 0.09 -0.38 0.04 0.00 -0.96 0.00 0.00 56.93 55.71 1fm0 s PHE 34 Cb -0.09 -0.88 0.00 0.00 -0.34 0.00 0.00 43.02 41.71 1fm0 s PHE 34 CO 0.05 -0.21 -0.22 0.99 -1.46 0.00 0.00 175.22 174.37 1fm0 s THR 35 N 0.62 1.89 -0.07 0.12 2.01 -1.26 -1.06 115.64 117.89 1fm0 s THR 35 Ca -0.11 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 60.98 1fm0 s THR 35 Cb -0.14 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1fm0 s THR 35 CO 0.02 0.52 -0.10 -0.83 -0.69 0.00 0.00 174.62 173.54 1fm0 s GLY 36 N 0.40 1.61 0.25 4.40 0.00 -0.53 -5.01 107.32 108.44 1fm0 s GLY 36 Ca -0.18 -0.92 0.10 0.00 0.00 0.00 0.00 44.72 43.72 1fm0 s GLY 36 CO 0.08 -0.61 -0.09 0.54 0.00 0.00 0.00 173.10 173.02 1fm0 s LYS 37 N -0.56 2.04 0.20 2.90 1.02 -1.26 -0.95 119.74 123.13 1fm0 s LYS 37 Ca 0.08 -1.48 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1fm0 s LYS 37 Cb -0.12 -2.04 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 1fm0 s LYS 37 CO 0.02 0.37 1.43 0.08 -0.92 0.00 0.00 175.35 176.33 1fm0 s VAL 38 N -2.19 2.85 -1.03 3.17 1.01 -0.41 -4.87 120.40 118.93 1fm0 s VAL 38 Ca 0.29 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 1fm0 s VAL 38 Cb -0.07 -3.43 0.23 0.00 0.00 0.00 0.00 36.38 33.11 1fm0 s VAL 38 CO 0.17 0.09 1.07 -0.13 0.00 0.00 0.00 175.10 176.29 1fm0 s ARG 39 N 0.17 3.97 -0.18 2.72 1.81 -1.26 -1.61 118.95 124.58 1fm0 s ARG 39 Ca 0.62 -2.79 0.01 0.00 -1.72 0.00 0.00 55.73 51.84 1fm0 s ARG 39 Cb -0.40 -4.63 0.03 0.00 -0.45 0.00 0.00 34.95 29.49 1fm0 s ARG 39 CO 0.38 -1.38 -0.16 0.08 -0.68 0.00 0.00 175.30 173.54 1fm0 s VAL 47 N -0.10 1.82 0.06 3.52 1.01 -1.26 -4.76 120.40 120.68 1fm0 s VAL 47 Ca 0.29 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1fm0 s VAL 47 Cb -0.08 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1fm0 s VAL 47 CO -0.07 0.42 -0.25 0.20 0.00 0.00 0.00 175.10 175.40 1fm0 s ASN 48 N 1.37 2.99 0.49 3.32 0.02 -1.26 -5.09 114.94 116.77 1fm0 s ASN 48 Ca 0.03 -0.60 -0.20 0.00 -1.02 0.00 0.00 52.86 51.08 1fm0 s ASN 48 Cb -0.14 -0.25 -0.08 0.00 0.02 0.00 0.00 41.25 40.80 1fm0 s ASN 48 CO -0.11 0.22 1.03 0.00 0.02 0.00 0.00 177.10 178.26 1fm0 s ALA 49 N -0.85 2.87 0.06 0.60 0.00 -1.26 -4.55 121.76 118.64 1fm0 s ALA 49 Ca 0.11 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.70 1fm0 s ALA 49 Cb -0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1fm0 s ALA 49 CO 0.03 -0.33 -0.12 -0.51 0.00 0.00 0.00 175.76 174.83 1fm0 s LEU 50 N -3.57 2.94 -0.03 0.00 1.43 -0.12 -1.42 118.68 117.92 1fm0 s LEU 50 Ca 0.67 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1fm0 s LEU 50 Cb -0.16 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1fm0 s LEU 50 CO 0.21 0.23 -0.20 -0.89 0.23 0.00 0.00 176.35 175.93 1fm0 s THR 51 N -1.08 1.58 -0.44 5.49 2.01 0.07 -0.66 115.64 122.62 1fm0 s THR 51 Ca 0.18 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1fm0 s THR 51 Cb -0.11 -1.33 0.08 0.00 0.01 0.00 0.00 72.50 71.15 1fm0 s THR 51 CO 0.10 0.45 0.31 -0.76 -0.69 0.00 0.00 174.62 174.02 1fm0 s LEU 52 N -0.29 5.36 0.46 4.42 2.01 -0.75 -0.95 118.68 128.93 1fm0 s LEU 52 Ca 0.03 -1.53 -0.21 0.00 0.01 0.00 0.00 54.13 52.43 1fm0 s LEU 52 Cb -0.09 -2.04 -0.09 0.00 0.01 0.00 0.00 46.19 43.98 1fm0 s LEU 52 CO 0.01 -0.59 1.01 -0.70 1.01 0.00 0.00 176.35 177.09 1fm0 s GLU 53 N 1.47 3.97 0.21 1.70 2.12 -0.31 -3.79 118.70 124.07 1fm0 s GLU 53 Ca 0.04 1.31 -0.16 0.00 0.36 0.00 0.00 54.97 56.52 1fm0 s GLU 53 Cb -0.24 -2.18 0.02 0.00 0.26 0.00 0.00 34.13 31.98 1fm0 s GLU 53 CO 0.03 -0.28 0.52 -3.38 -0.54 0.00 0.00 175.26 171.61 1fm0 s HIS 54 N -1.99 0.02 -0.68 5.30 -3.43 -1.26 -0.96 115.29 112.29 1fm0 s HIS 54 Ca 0.64 -0.38 -0.12 0.00 -0.80 0.00 0.00 55.06 54.40 1fm0 s HIS 54 Cb -0.15 0.35 0.18 0.00 -1.43 0.00 0.00 32.58 31.52 1fm0 s HIS 54 CO 0.19 -0.95 0.60 -0.47 -2.00 0.00 0.00 174.74 172.10 1fm0 s TYR 55 N -3.92 3.55 0.33 0.38 6.14 -0.96 -5.00 117.35 117.88 1fm0 s TYR 55 Ca 0.13 -1.93 0.04 0.00 0.64 0.00 0.00 57.07 55.95 1fm0 s TYR 55 Cb -0.01 -3.68 0.67 0.00 0.42 0.00 0.00 41.96 39.36 1fm0 s TYR 55 CO 0.01 -0.98 1.89 -1.35 0.64 0.00 0.00 175.55 175.77 1fm0 h PRO 56 N 8.01 0.84 0.00 4.97 0.11 -2.00 -2.02 132.00 141.91 1fm0 h PRO 56 Ca -0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1fm0 h PRO 56 Cb 1.04 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1fm0 h PRO 56 CO 0.83 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 1fm0 n GLY 57 N -1.41 -1.10 0.00 -0.55 0.00 -1.26 -3.89 105.19 96.98 1fm0 n GLY 57 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1fm0 n GLY 57 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1fm0 n MET 58 N -1.41 1.87 -0.11 1.61 0.00 -0.83 -4.73 117.12 113.51 1fm0 n MET 58 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.70 57.70 1fm0 n MET 58 Cb 0.21 -1.00 0.01 0.00 0.00 0.00 0.00 33.22 32.44 1fm0 n MET 58 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1fm0 h THR 59 N 0.00 1.01 -0.64 1.12 1.35 -1.50 0.46 112.91 114.71 1fm0 h THR 59 Ca 0.00 -0.14 -0.08 0.00 -0.55 0.00 0.00 66.41 65.64 1fm0 h THR 59 Cb 0.46 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 1fm0 h THR 59 CO 0.00 0.07 0.08 -0.33 -0.25 0.00 0.00 175.52 175.09 1fm0 h GLU 60 N 0.40 1.08 -0.63 4.72 5.08 -1.89 -2.55 114.58 120.80 1fm0 h GLU 60 Ca 0.15 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1fm0 h GLU 60 Cb 0.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1fm0 h GLU 60 CO -0.09 1.01 0.26 -0.22 -1.00 0.00 0.00 179.01 178.97 1fm0 h LYS 61 N 1.00 0.93 -0.53 2.33 3.64 -1.77 -1.25 116.57 120.91 1fm0 h LYS 61 Ca 0.19 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1fm0 h LYS 61 Cb 0.47 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1fm0 h LYS 61 CO 0.02 0.78 0.20 0.00 -2.27 0.00 0.00 179.45 178.18 1fm0 h ALA 62 N 1.10 0.70 -0.65 5.00 0.00 -0.82 -0.86 119.26 123.72 1fm0 h ALA 62 Ca 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1fm0 h ALA 62 Cb 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1fm0 h ALA 62 CO -0.02 0.32 0.25 -0.07 0.00 0.00 0.00 179.25 179.73 1fm0 h LEU 63 N 0.73 0.91 -0.98 0.00 3.38 -1.28 -2.31 115.31 115.76 1fm0 h LEU 63 Ca 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1fm0 h LEU 63 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1fm0 h LEU 63 CO -0.01 0.84 0.25 0.00 0.09 0.00 0.00 178.44 179.61 1fm0 h ALA 64 N 1.11 1.19 -0.17 1.53 0.00 -0.95 -2.19 119.26 119.78 1fm0 h ALA 64 Ca 0.22 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1fm0 h ALA 64 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1fm0 h ALA 64 CO -0.02 0.58 -0.38 0.93 0.00 0.00 0.00 179.25 180.37 1fm0 h GLU 65 N 0.96 0.37 -0.30 0.00 5.08 -0.97 -0.57 114.58 119.16 1fm0 h GLU 65 Ca 0.22 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1fm0 h GLU 65 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1fm0 h GLU 65 CO -0.02 0.70 -0.03 0.82 -1.00 0.00 0.00 179.01 179.48 1fm0 h ILE 66 N 0.32 1.27 -0.70 3.13 2.04 -1.18 -2.32 117.51 120.06 1fm0 h ILE 66 Ca 0.03 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 64.80 1fm0 h ILE 66 Cb 0.81 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1fm0 h ILE 66 CO 0.06 0.33 0.15 0.58 0.00 0.00 0.00 178.15 179.27 1fm0 h VAL 67 N 0.33 1.26 -0.62 1.67 2.07 -1.22 -1.27 116.25 118.47 1fm0 h VAL 67 Ca 0.08 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1fm0 h VAL 67 Cb 0.49 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1fm0 h VAL 67 CO 0.02 0.38 0.36 0.44 0.02 0.00 0.00 177.57 178.80 1fm0 h ASP 68 N 1.07 0.57 -0.52 0.57 3.32 -1.02 -0.73 116.42 119.68 1fm0 h ASP 68 Ca 0.22 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1fm0 h ASP 68 Cb 0.40 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1fm0 h ASP 68 CO 0.01 0.38 0.18 -0.08 -1.72 0.00 0.00 179.24 178.01 1fm0 h GLU 69 N 0.70 0.80 -0.98 3.56 4.81 -1.13 -2.77 114.58 119.57 1fm0 h GLU 69 Ca 0.26 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 1fm0 h GLU 69 Cb 0.09 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 1fm0 h GLU 69 CO -0.14 0.73 0.62 0.00 -0.73 0.00 0.00 179.01 179.49 1fm0 h ALA 70 N 1.03 1.40 0.00 2.92 0.00 -0.63 -1.59 119.26 122.40 1fm0 h ALA 70 Ca 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1fm0 h ALA 70 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fm0 h ALA 70 CO -0.01 0.33 -0.13 0.00 0.00 0.00 0.00 179.25 179.45 1fm0 h ARG 71 N 1.07 0.00 0.00 0.00 3.08 -0.89 -0.97 114.38 116.67 1fm0 h ARG 71 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1fm0 h ARG 71 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1fm0 h ARG 71 CO -0.21 0.13 -0.56 -0.91 -1.07 0.00 0.00 179.97 177.35 1fm0 h ASN 72 N 0.00 0.00 0.35 7.04 -0.26 -1.04 -3.37 115.58 118.30 1fm0 h ASN 72 Ca -0.00 -0.01 -0.30 0.00 -0.56 0.00 0.00 56.30 55.42 1fm0 h ASN 72 Cb 0.42 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.63 1fm0 h ASN 72 CO 0.02 0.01 -1.89 0.54 -1.06 0.00 0.00 177.43 175.04 1fm0 n ARG 73 N -2.81 0.65 -4.02 0.81 1.74 -0.90 -5.00 116.66 107.13 1fm0 n ARG 73 Ca 0.02 0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 57.20 1fm0 n ARG 73 Cb 0.53 -1.71 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 1fm0 n ARG 73 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1fm0 s TRP 74 N -2.59 0.39 -0.85 -1.55 0.51 -0.42 -5.10 118.94 109.33 1fm0 s TRP 74 Ca -0.06 -0.60 -0.24 0.00 -2.12 0.00 0.00 56.10 53.08 1fm0 s TRP 74 Cb 0.07 -0.27 0.06 0.00 -0.81 0.00 0.00 33.47 32.53 1fm0 s TRP 74 CO 0.83 -0.19 1.26 -1.25 -0.51 0.00 0.00 176.95 177.09 1fm0 s PRO 75 N -1.85 3.38 0.09 4.98 0.04 -1.26 -4.41 135.00 135.96 1fm0 s PRO 75 Ca -0.11 -0.88 0.03 0.00 0.04 0.00 0.00 61.00 60.08 1fm0 s PRO 75 Cb -0.07 -4.71 -0.04 0.00 0.04 0.00 0.00 34.50 29.71 1fm0 s PRO 75 CO -0.02 -2.06 0.10 -0.51 0.04 0.00 0.00 177.00 174.55 1fm0 s LEU 76 N 4.73 3.86 0.00 -3.56 1.43 -1.26 -4.43 118.68 119.45 1fm0 s LEU 76 Ca 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1fm0 s LEU 76 Cb -0.06 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1fm0 s LEU 76 CO 0.02 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1fm0 n GLY 77 N 0.34 0.88 3.76 -3.19 0.00 -0.25 -4.97 105.19 101.77 1fm0 n GLY 77 Ca -0.08 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1fm0 n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fm0 s ARG 78 N 3.10 3.65 -0.00 1.61 0.52 -1.26 -4.69 118.95 121.88 1fm0 s ARG 78 Ca 0.00 2.12 0.01 0.00 -0.52 0.00 0.00 55.73 57.34 1fm0 s ARG 78 Cb 0.00 -2.52 -0.00 0.00 0.52 0.00 0.00 34.95 32.94 1fm0 s ARG 78 CO 0.00 -0.74 -0.04 0.08 0.02 0.00 0.00 175.30 174.62 1fm0 s VAL 79 N -1.33 0.30 -0.05 3.52 1.01 -1.11 -2.60 120.40 120.13 1fm0 s VAL 79 Ca 0.63 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1fm0 s VAL 79 Cb -0.37 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.76 1fm0 s VAL 79 CO 0.46 0.06 -0.11 -0.89 0.00 0.00 0.00 175.10 174.62 1fm0 s THR 80 N -0.15 1.05 -0.08 3.92 2.01 -0.49 -1.06 115.64 120.84 1fm0 s THR 80 Ca 0.01 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1fm0 s THR 80 Cb -0.02 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.56 1fm0 s THR 80 CO -0.00 0.33 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.51 1fm0 s VAL 81 N 0.54 0.81 -0.06 3.82 1.01 -0.09 -0.70 120.40 125.74 1fm0 s VAL 81 Ca -0.11 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1fm0 s VAL 81 Cb -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1fm0 s VAL 81 CO 0.03 0.32 -0.17 -0.63 0.00 0.00 0.00 175.10 174.64 1fm0 s ILE 82 N 1.42 1.49 -0.04 2.22 1.01 -0.27 -1.62 121.20 125.41 1fm0 s ILE 82 Ca -0.02 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1fm0 s ILE 82 Cb -0.13 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.07 1fm0 s ILE 82 CO -0.04 0.43 -0.04 -2.28 0.00 0.00 0.00 174.94 173.02 1fm0 s HIS 83 N 0.20 0.66 0.56 3.97 2.46 -0.63 -1.28 115.29 121.23 1fm0 s HIS 83 Ca -0.08 -0.16 -0.06 0.00 0.47 0.00 0.00 55.06 55.22 1fm0 s HIS 83 Cb -0.13 -0.61 -0.01 0.00 -0.13 0.00 0.00 32.58 31.69 1fm0 s HIS 83 CO 0.04 -0.18 0.89 1.03 -2.47 0.00 0.00 174.74 174.04 1fm0 s ARG 84 N 0.93 3.18 0.38 2.88 0.52 -0.42 -2.82 118.95 123.61 1fm0 s ARG 84 Ca -0.11 0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.30 1fm0 s ARG 84 Cb -0.14 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 1fm0 s ARG 84 CO -0.00 -0.55 0.11 0.96 0.02 0.00 0.00 175.30 175.84 1fm0 s ILE 85 N -2.95 0.72 0.00 1.52 -4.36 -1.04 -4.84 121.20 110.26 1fm0 s ILE 85 Ca 0.52 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1fm0 s ILE 85 Cb -0.11 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1fm0 s ILE 85 CO 0.46 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.25 1fm0 n GLY 86 N -0.84 -1.75 3.73 6.27 0.00 -1.25 -4.37 105.19 106.98 1fm0 n GLY 86 Ca -0.05 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 1fm0 n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fm0 s GLU 87 N 0.00 4.43 0.08 1.61 2.12 -1.26 -1.82 118.70 123.87 1fm0 s GLU 87 Ca 0.00 0.89 0.02 0.00 0.36 0.00 0.00 54.97 56.24 1fm0 s GLU 87 Cb 0.00 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1fm0 s GLU 87 CO 0.00 0.13 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.28 1fm0 s LEU 88 N 0.56 2.46 0.16 2.70 1.43 0.17 -4.99 118.68 121.17 1fm0 s LEU 88 Ca 0.37 -0.92 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1fm0 s LEU 88 Cb -0.18 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 1fm0 s LEU 88 CO 0.19 -0.43 -0.20 0.26 0.23 0.00 0.00 176.35 176.40 1fm0 s TRP 89 N -3.23 1.94 0.08 0.29 0.52 -1.26 -0.94 118.94 116.33 1fm0 s TRP 89 Ca 0.07 -0.43 -0.37 0.00 0.02 0.00 0.00 56.10 55.39 1fm0 s TRP 89 Cb 0.03 -0.98 -0.17 0.00 -1.15 0.00 0.00 33.47 31.20 1fm0 s TRP 89 CO -0.04 0.35 1.30 -2.30 0.02 0.00 0.00 176.95 176.28 1fm0 n PRO 90 N 0.43 1.03 0.00 4.98 -0.02 -1.26 -1.04 135.00 139.12 1fm0 n PRO 90 Ca -0.14 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1fm0 n PRO 90 Cb 0.56 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1fm0 n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fm0 n GLY 91 N 2.39 3.45 3.77 -1.23 0.00 -0.63 -4.97 105.19 107.97 1fm0 n GLY 91 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1fm0 n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fm0 s ASP 92 N -0.88 6.65 -0.14 1.61 1.01 -0.21 -4.77 116.67 119.94 1fm0 s ASP 92 Ca 0.00 2.28 -0.29 0.00 0.71 0.00 0.00 52.55 55.25 1fm0 s ASP 92 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1fm0 s ASP 92 CO 0.00 -0.58 0.98 -1.61 0.21 0.00 0.00 175.17 174.17 1fm0 s GLU 93 N -2.24 4.36 -0.18 8.23 2.02 -1.26 -1.29 118.70 128.34 1fm0 s GLU 93 Ca 0.56 1.32 0.09 0.00 0.02 0.00 0.00 54.97 56.95 1fm0 s GLU 93 Cb -0.29 -3.57 -0.17 0.00 0.10 0.00 0.00 34.13 30.20 1fm0 s GLU 93 CO 0.37 -0.39 -0.04 1.51 0.02 0.00 0.00 175.26 176.73 1fm0 n ILE 94 N 4.75 1.13 -3.89 -1.63 3.06 -0.13 -4.89 119.36 117.76 1fm0 n ILE 94 Ca 0.09 -0.59 -0.11 0.00 -2.50 0.00 0.00 62.75 59.63 1fm0 n ILE 94 Cb 0.48 -0.84 -0.13 0.00 0.54 0.00 0.00 39.64 39.69 1fm0 n ILE 94 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1fm0 s VAL 95 N -2.40 0.03 -0.05 9.51 0.11 -1.06 -1.30 120.40 125.25 1fm0 s VAL 95 Ca -0.16 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.67 1fm0 s VAL 95 Cb 0.06 -0.09 0.02 0.00 -1.53 0.00 0.00 36.38 34.83 1fm0 s VAL 95 CO 0.58 -0.13 -0.07 0.12 -3.33 0.00 0.00 175.10 172.28 1fm0 s PHE 96 N -0.38 0.94 -0.10 1.54 5.36 -0.41 -1.45 117.98 123.48 1fm0 s PHE 96 Ca -0.04 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 1fm0 s PHE 96 Cb -0.03 -0.76 0.02 0.00 -0.34 0.00 0.00 43.02 41.91 1fm0 s PHE 96 CO -0.00 -0.20 -0.13 0.08 -1.46 0.00 0.00 175.22 173.51 1fm0 s VAL 97 N 0.76 1.31 -0.09 3.12 1.01 -0.22 -1.12 120.40 125.17 1fm0 s VAL 97 Ca -0.12 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1fm0 s VAL 97 Cb -0.14 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1fm0 s VAL 97 CO 0.01 0.41 -0.16 -0.83 0.00 0.00 0.00 175.10 174.53 1fm0 s GLY 98 N 1.16 1.00 0.03 4.51 0.00 0.12 -0.67 107.32 113.47 1fm0 s GLY 98 Ca -0.04 -0.66 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1fm0 s GLY 98 CO -0.03 0.07 -0.08 0.14 0.00 0.00 0.00 173.10 173.20 1fm0 s VAL 99 N 0.73 0.61 0.10 1.40 1.01 -0.12 -1.39 120.40 122.74 1fm0 s VAL 99 Ca -0.12 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1fm0 s VAL 99 Cb -0.16 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1fm0 s VAL 99 CO 0.03 -0.20 -0.14 0.42 0.00 0.00 0.00 175.10 175.21 1fm0 s THR 100 N -1.00 1.21 0.32 3.92 -4.23 -1.07 -1.01 115.64 113.78 1fm0 s THR 100 Ca -0.05 -1.58 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1fm0 s THR 100 Cb -0.08 -1.37 0.05 0.00 1.34 0.00 0.00 72.50 72.44 1fm0 s THR 100 CO 0.00 -0.37 0.81 -0.94 -0.54 0.00 0.00 174.62 173.58 1fm0 s SER 101 N -2.23 -0.08 0.34 3.99 1.04 -0.76 -1.09 113.70 114.92 1fm0 s SER 101 Ca 0.05 -0.90 0.17 0.00 0.48 0.00 0.00 55.95 55.75 1fm0 s SER 101 Cb -0.06 0.76 0.55 0.00 0.10 0.00 0.00 66.02 67.37 1fm0 s SER 101 CO 0.02 -1.47 1.68 0.00 0.98 0.00 0.00 173.24 174.45 1fm0 h ALA 102 N 2.00 0.95 -3.37 5.32 0.00 -1.78 -0.93 119.26 121.45 1fm0 h ALA 102 Ca -0.28 -0.40 -0.37 0.00 0.00 0.00 0.00 54.91 53.87 1fm0 h ALA 102 Cb 1.25 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 1fm0 h ALA 102 CO 0.34 0.55 -0.76 -1.58 0.00 0.00 0.00 179.25 177.80 1fm0 s HIS 103 N -3.53 1.02 0.37 0.00 5.65 -1.26 -4.43 115.29 113.11 1fm0 s HIS 103 Ca 0.00 -0.46 0.05 0.00 0.25 0.00 0.00 55.06 54.91 1fm0 s HIS 103 Cb 0.11 -0.59 0.71 0.00 -1.18 0.00 0.00 32.58 31.63 1fm0 s HIS 103 CO 0.71 0.01 1.96 0.07 -0.65 0.00 0.00 174.74 176.83 1fm0 h ARG 104 N 4.44 0.55 -0.56 2.88 0.11 -1.93 -3.01 114.38 116.86 1fm0 h ARG 104 Ca -0.39 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1fm0 h ARG 104 Cb 1.19 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.14 1fm0 h ARG 104 CO 0.41 0.47 0.36 0.66 0.10 0.00 0.00 179.97 181.97 1fm0 h SER 105 N 0.55 0.65 -0.31 0.08 4.64 -2.00 -0.99 113.55 116.16 1fm0 h SER 105 Ca 0.13 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 1fm0 h SER 105 Cb 0.14 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1fm0 h SER 105 CO -0.01 0.48 -0.34 0.28 -0.87 0.00 0.00 176.83 176.37 1fm0 h SER 106 N 0.75 0.88 -0.29 4.97 0.02 -1.96 -1.85 113.55 116.08 1fm0 h SER 106 Ca 0.20 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1fm0 h SER 106 Cb -0.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1fm0 h SER 106 CO -0.04 1.14 0.04 0.00 -1.14 0.00 0.00 176.83 176.82 1fm0 h ALA 107 N 0.91 0.39 -0.26 3.77 0.00 -1.40 -1.11 119.26 121.56 1fm0 h ALA 107 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1fm0 h ALA 107 Cb 0.90 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1fm0 h ALA 107 CO 0.08 0.09 0.07 0.74 0.00 0.00 0.00 179.25 180.23 1fm0 h PHE 108 N 0.31 0.43 -0.47 0.00 -1.00 -1.19 -2.23 116.94 112.78 1fm0 h PHE 108 Ca 0.09 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1fm0 h PHE 108 Cb 0.35 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1fm0 h PHE 108 CO 0.02 0.49 0.23 0.93 -1.61 0.00 0.00 178.31 178.37 1fm0 h GLU 109 N 0.25 0.68 -0.58 1.51 5.08 -1.31 -2.25 114.58 117.96 1fm0 h GLU 109 Ca 0.08 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1fm0 h GLU 109 Cb 0.27 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1fm0 h GLU 109 CO -0.00 0.58 0.09 0.00 -1.00 0.00 0.00 179.01 178.68 1fm0 h ALA 110 N 1.07 1.07 -0.42 3.43 0.00 -1.20 -1.32 119.26 121.88 1fm0 h ALA 110 Ca 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fm0 h ALA 110 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1fm0 h ALA 110 CO -0.02 0.60 0.24 0.78 0.00 0.00 0.00 179.25 180.86 1fm0 h GLY 111 N 1.01 0.62 0.99 0.00 0.00 -1.21 -0.92 103.07 103.56 1fm0 h GLY 111 Ca 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1fm0 h GLY 111 CO 0.01 0.26 0.20 1.46 0.00 0.00 0.00 176.54 178.47 1fm0 h GLN 112 N 0.55 0.44 -0.20 4.80 4.20 -1.17 -2.45 115.11 121.29 1fm0 h GLN 112 Ca 0.15 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1fm0 h GLN 112 Cb 0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1fm0 h GLN 112 CO -0.03 0.32 0.12 0.35 -0.67 0.00 0.00 178.83 178.93 1fm0 h PHE 113 N 0.43 0.23 -0.60 2.96 3.57 -1.13 -0.94 116.94 121.46 1fm0 h PHE 113 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1fm0 h PHE 113 Cb -0.01 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1fm0 h PHE 113 CO -0.04 0.14 0.39 0.82 -2.23 0.00 0.00 178.31 177.38 1fm0 h ILE 114 N 0.25 1.12 -0.50 1.41 2.04 -1.10 -1.18 117.51 119.55 1fm0 h ILE 114 Ca 0.08 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 1fm0 h ILE 114 Cb -0.01 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1fm0 h ILE 114 CO -0.03 0.14 -0.03 0.24 0.00 0.00 0.00 178.15 178.48 1fm0 h MET 115 N 0.78 0.89 -0.72 2.37 2.86 -1.30 -0.28 114.93 119.53 1fm0 h MET 115 Ca 0.23 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1fm0 h MET 115 Cb -0.05 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1fm0 h MET 115 CO -0.07 0.94 0.17 -0.44 1.06 0.00 0.00 176.91 178.57 1fm0 h ASP 116 N 0.75 1.09 -0.07 1.22 3.32 -0.80 -1.80 116.42 120.14 1fm0 h ASP 116 Ca 0.14 -0.24 -0.21 0.00 0.02 0.00 0.00 57.03 56.74 1fm0 h ASP 116 Cb 0.55 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1fm0 h ASP 116 CO 0.03 1.04 -0.74 1.88 -1.72 0.00 0.00 179.24 179.73 1fm0 h TYR 117 N 1.09 0.95 -0.75 4.55 0.99 -1.18 -3.12 116.97 119.50 1fm0 h TYR 117 Ca 0.22 -0.41 0.04 0.00 2.00 0.00 0.00 58.73 60.58 1fm0 h TYR 117 Cb 0.38 -0.15 -0.05 0.00 1.00 0.00 0.00 36.73 37.91 1fm0 h TYR 117 CO 0.03 1.22 0.46 1.25 -0.00 0.00 0.00 178.16 181.12 1fm0 h LEU 118 N 0.49 0.74 -0.41 3.88 6.46 -0.87 0.80 115.31 126.40 1fm0 h LEU 118 Ca -0.04 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1fm0 h LEU 118 Cb 1.35 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1fm0 h LEU 118 CO 0.15 0.50 0.00 0.29 -0.62 0.00 0.00 178.44 178.76 1fm0 n LYS 119 N -4.66 0.15 -0.00 1.25 5.02 -0.69 -2.38 118.16 116.85 1fm0 n LYS 119 Ca 0.09 0.33 0.01 0.00 -2.02 0.00 0.00 58.31 56.73 1fm0 n LYS 119 Cb 0.12 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.35 1fm0 n LYS 119 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1fm0 n THR 120 N -2.04 0.00 0.00 -0.18 -2.24 -0.97 -4.89 114.28 103.96 1fm0 n THR 120 Ca 0.03 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1fm0 n THR 120 Cb 0.25 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1fm0 n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fm0 n ARG 121 N -1.27 2.09 -2.75 -0.78 1.74 0.24 -5.05 116.66 110.87 1fm0 n ARG 121 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1fm0 n ARG 121 Cb 0.05 -0.85 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1fm0 n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fm0 s ALA 122 N -1.49 3.27 -1.26 7.54 0.00 -1.00 -4.95 121.76 123.86 1fm0 s ALA 122 Ca 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 51.96 52.18 1fm0 s ALA 122 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1fm0 s ALA 122 CO 0.00 -0.34 1.81 -1.25 0.00 0.00 0.00 175.76 175.97 1fm0 s PRO 123 N 1.33 3.47 0.01 0.00 0.04 -1.26 -4.89 135.00 133.70 1fm0 s PRO 123 Ca 0.49 -1.72 0.04 0.00 0.04 0.00 0.00 61.00 59.85 1fm0 s PRO 123 Cb -0.20 -5.44 -0.01 0.00 0.04 0.00 0.00 34.50 28.89 1fm0 s PRO 123 CO 0.23 -2.86 -0.14 -0.06 0.04 0.00 0.00 177.00 174.22 1fm0 s PHE 124 N 6.58 1.20 -0.05 0.56 0.40 -1.26 -2.25 117.98 123.15 1fm0 s PHE 124 Ca 0.59 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.64 1fm0 s PHE 124 Cb 0.02 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.83 1fm0 s PHE 124 CO 0.10 0.00 0.00 -1.58 0.70 0.00 0.00 175.22 174.44 1fm0 s TRP 125 N -0.53 0.53 0.01 0.36 0.51 -0.13 -5.00 118.94 114.69 1fm0 s TRP 125 Ca 0.04 -0.09 -0.25 0.00 -2.12 0.00 0.00 56.10 53.68 1fm0 s TRP 125 Cb -0.06 -0.66 -0.05 0.00 -0.81 0.00 0.00 33.47 31.89 1fm0 s TRP 125 CO 0.00 -0.25 0.76 0.15 -0.51 0.00 0.00 176.95 177.10 1fm0 s LYS 126 N 1.63 4.48 -0.06 4.98 1.02 -1.26 -1.16 119.74 129.37 1fm0 s LYS 126 Ca -0.01 1.03 0.05 0.00 0.02 0.00 0.00 55.97 57.06 1fm0 s LYS 126 Cb -0.13 -3.39 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1fm0 s LYS 126 CO -0.03 0.19 -0.20 -0.98 -0.92 0.00 0.00 175.35 173.42 1fm0 s ARG 127 N 0.28 2.11 -0.16 1.68 1.70 -0.13 -1.71 118.95 122.72 1fm0 s ARG 127 Ca 0.39 -0.70 -0.07 0.00 -0.47 0.00 0.00 55.73 54.89 1fm0 s ARG 127 Cb -0.20 -1.78 -0.04 0.00 -0.57 0.00 0.00 34.95 32.37 1fm0 s ARG 127 CO 0.22 0.25 0.07 -2.00 -1.08 0.00 0.00 175.30 172.76 1fm0 s GLU 128 N 0.07 3.79 -0.97 3.89 2.12 0.27 -0.75 118.70 127.13 1fm0 s GLU 128 Ca -0.06 -0.32 -0.16 0.00 0.36 0.00 0.00 54.97 54.79 1fm0 s GLU 128 Cb -0.13 -3.16 0.17 0.00 0.26 0.00 0.00 34.13 31.27 1fm0 s GLU 128 CO 0.03 0.39 1.09 0.00 -0.54 0.00 0.00 175.26 176.24 1fm0 s ALA 129 N 0.03 3.76 0.70 6.30 0.00 -0.50 -0.91 121.76 131.14 1fm0 s ALA 129 Ca 0.06 -3.09 -0.07 0.00 0.00 0.00 0.00 51.96 48.85 1fm0 s ALA 129 Cb -0.12 -3.90 0.05 0.00 0.00 0.00 0.00 23.12 19.15 1fm0 s ALA 129 CO 0.01 -2.72 1.02 0.95 0.00 0.00 0.00 175.76 175.02 1fm0 s THR 130 N 1.57 2.49 0.56 0.00 -4.23 -0.85 -4.32 115.64 110.86 1fm0 s THR 130 Ca 0.31 -0.17 0.25 0.00 -1.18 0.00 0.00 61.69 60.90 1fm0 s THR 130 Cb -0.06 -3.08 0.34 0.00 1.34 0.00 0.00 72.50 71.04 1fm0 s THR 130 CO -0.08 -0.09 2.14 -0.65 -0.54 0.00 0.00 174.62 175.40 1fm0 h PRO 131 N -0.59 0.00 -0.21 3.99 0.11 -1.98 -2.11 132.00 131.21 1fm0 h PRO 131 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fm0 h PRO 131 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1fm0 h PRO 131 CO 0.61 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 1fm0 n GLU 132 N -4.07 2.34 0.00 1.05 4.71 -1.26 -5.07 120.64 118.35 1fm0 n GLU 132 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 57.16 55.16 1fm0 n GLU 132 Cb 0.25 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 1fm0 n GLU 132 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1fm0 n GLY 133 N 1.40 1.60 3.76 0.62 0.00 -0.79 -5.07 105.19 106.71 1fm0 n GLY 133 Ca 0.17 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 1fm0 n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fm0 s ASP 134 N 0.00 6.94 -0.02 1.61 1.01 -1.26 -2.01 116.67 122.93 1fm0 s ASP 134 Ca 0.00 2.42 0.00 0.00 0.71 0.00 0.00 52.55 55.69 1fm0 s ASP 134 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1fm0 s ASP 134 CO 0.00 -0.39 0.01 -0.60 0.21 0.00 0.00 175.17 174.40 1fm0 s ARG 135 N -1.76 0.16 0.03 8.23 3.00 -0.08 -4.94 118.95 123.59 1fm0 s ARG 135 Ca 0.49 0.09 -0.30 0.00 -1.00 0.00 0.00 55.73 55.00 1fm0 s ARG 135 Cb -0.34 -0.34 -0.05 0.00 0.00 0.00 0.00 34.95 34.22 1fm0 s ARG 135 CO 0.44 -0.11 1.16 -1.58 0.00 0.00 0.00 175.30 175.20 1fm0 s TRP 136 N 0.84 3.45 0.39 5.12 0.52 -1.26 -0.56 118.94 127.44 1fm0 s TRP 136 Ca -0.08 1.37 -0.27 0.00 0.02 0.00 0.00 56.10 57.14 1fm0 s TRP 136 Cb -0.11 -3.36 -0.09 0.00 -1.15 0.00 0.00 33.47 28.76 1fm0 s TRP 136 CO -0.02 -1.03 1.34 0.08 0.02 0.00 0.00 176.95 177.34 1fm0 s VAL 137 N 1.21 2.51 0.12 4.03 1.01 -0.70 -4.94 120.40 123.65 1fm0 s VAL 137 Ca 0.57 0.47 -0.25 0.00 0.00 0.00 0.00 61.98 62.77 1fm0 s VAL 137 Cb -0.27 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 1fm0 s VAL 137 CO 0.28 0.09 0.77 -0.70 0.00 0.00 0.00 175.10 175.54 1fm0 s GLU 138 N -2.14 4.54 0.56 2.72 2.56 -1.26 -4.87 118.70 120.82 1fm0 s GLU 138 Ca 0.55 1.13 -0.19 0.00 0.00 0.00 0.00 54.97 56.46 1fm0 s GLU 138 Cb -0.40 -3.30 -0.05 0.00 2.00 0.00 0.00 34.13 32.38 1fm0 s GLU 138 CO 0.52 0.47 1.14 0.00 -0.56 0.00 0.00 175.26 176.83 1fm0 s ALA 139 N -0.74 2.65 -0.12 6.30 0.00 -1.26 -5.03 121.76 123.56 1fm0 s ALA 139 Ca 0.37 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 1fm0 s ALA 139 Cb -0.22 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1fm0 s ALA 139 CO 0.25 -0.87 -0.03 1.03 0.00 0.00 0.00 175.76 176.14 1fm0 s ARG 140 N -3.38 3.29 0.42 0.00 0.52 -1.26 -5.00 118.95 113.54 1fm0 s ARG 140 Ca 0.73 -0.48 0.12 0.00 -0.52 0.00 0.00 55.73 55.58 1fm0 s ARG 140 Cb -0.24 -2.83 0.90 0.00 0.52 0.00 0.00 34.95 33.30 1fm0 s ARG 140 CO 0.29 0.47 1.95 1.49 0.02 0.00 0.00 175.30 179.53 1fm0 h GLU 141 N 5.93 0.09 -0.29 3.54 4.57 -2.01 -2.16 114.58 124.26 1fm0 h GLU 141 Ca -0.41 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1fm0 h GLU 141 Cb 1.19 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1fm0 h GLU 141 CO 0.59 0.27 0.17 0.66 -1.18 0.00 0.00 179.01 179.52 1fm0 h SER 142 N 0.09 0.33 -0.04 1.04 4.64 -2.00 -1.59 113.55 116.02 1fm0 h SER 142 Ca 0.02 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1fm0 h SER 142 Cb 0.36 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1fm0 h SER 142 CO 0.02 0.26 -0.49 0.44 -0.87 0.00 0.00 176.83 176.19 1fm0 h ASP 143 N 0.39 0.66 -0.51 4.97 3.32 -1.81 -1.59 116.42 121.85 1fm0 h ASP 143 Ca 0.10 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1fm0 h ASP 143 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1fm0 h ASP 143 CO -0.02 1.04 0.21 1.56 -1.72 0.00 0.00 179.24 180.31 1fm0 h GLN 144 N 0.48 0.76 -0.43 3.56 1.08 -1.29 -1.66 115.11 117.61 1fm0 h GLN 144 Ca 0.02 -0.13 -0.13 0.00 -1.45 0.00 0.00 58.65 56.96 1fm0 h GLN 144 Cb 1.03 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 1fm0 h GLN 144 CO 0.10 0.66 -0.24 1.96 -0.95 0.00 0.00 178.83 180.36 1fm0 h GLN 145 N 0.68 0.89 -0.48 1.46 1.08 -1.25 -2.11 115.11 115.37 1fm0 h GLN 145 Ca 0.17 -0.38 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1fm0 h GLN 145 Cb 0.18 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1fm0 h GLN 145 CO -0.02 1.03 0.30 0.00 -0.95 0.00 0.00 178.83 179.19 1fm0 h ALA 146 N 0.96 0.62 -0.40 3.87 0.00 -1.13 -2.90 119.26 120.27 1fm0 h ALA 146 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1fm0 h ALA 146 Cb 0.79 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1fm0 h ALA 146 CO 0.07 0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.20 1fm0 h ALA 147 N 1.20 1.04 0.00 0.00 0.00 -1.15 -3.15 119.26 117.21 1fm0 h ALA 147 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1fm0 h ALA 147 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1fm0 h ALA 147 CO -0.07 0.58 0.00 0.87 0.00 0.00 0.00 179.25 180.63 1fm0 h LYS 148 N 0.64 0.00 0.00 0.00 1.57 -1.18 -2.93 116.57 114.67 1fm0 h LYS 148 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1fm0 h LYS 148 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1fm0 h LYS 148 CO 0.04 0.00 0.00 0.07 -0.57 0.00 0.00 179.45 178.99 1fm0 h ARG 149 N 0.00 0.00 -0.01 3.15 0.11 -1.49 -3.51 114.38 112.62 1fm0 h ARG 149 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1fm0 h ARG 149 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1fm0 h ARG 149 CO 0.00 0.00 0.00 0.91 0.10 0.00 0.00 179.97 180.98