#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 s GLY 2 N 0.00 2.84 0.37 3.03 0.00 -1.26 -4.91 107.32 107.39 2fe0 s GLY 2 Ca 0.00 1.09 0.07 0.00 0.00 0.00 0.00 44.72 45.88 2fe0 s GLY 2 CO 0.00 1.59 1.97 0.00 0.00 0.00 0.00 173.10 176.67 2fe0 s GLY 4 N -3.60 1.64 0.50 0.00 0.00 -1.26 -5.01 107.32 99.58 2fe0 s GLY 4 Ca -0.09 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.18 2fe0 s GLY 4 CO 0.76 0.15 1.32 0.00 0.00 0.00 0.00 173.10 175.33 2fe0 s ALA 5 N -3.24 2.97 0.13 3.20 0.00 -1.26 -5.02 121.76 118.54 2fe0 s ALA 5 Ca 0.58 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.82 2fe0 s ALA 5 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2fe0 s ALA 5 CO 0.53 -1.13 0.26 -1.54 0.00 0.00 0.00 175.76 173.88 2fe0 s SER 6 N -0.95 6.29 0.00 0.00 1.04 -1.26 -4.99 113.70 113.83 2fe0 s SER 6 Ca 0.67 0.18 0.31 0.00 0.48 0.00 0.00 55.95 57.58 2fe0 s SER 6 Cb -0.38 -1.89 1.73 0.00 0.10 0.00 0.00 66.02 65.58 2fe0 s SER 6 CO 0.46 0.08 2.14 -1.54 0.98 0.00 0.00 173.24 175.37 2fe0 n SER 7 N -0.32 0.06 -0.01 7.02 3.41 -1.26 -4.85 113.62 117.66 2fe0 n SER 7 Ca -0.07 -0.71 -0.00 0.00 -0.26 0.00 0.00 58.87 57.83 2fe0 n SER 7 Cb 0.53 -0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2fe0 n SER 7 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fe0 n GLU 8 N -1.06 -1.99 -4.57 4.33 1.02 -1.26 -4.89 120.64 112.21 2fe0 n GLU 8 Ca 0.20 0.39 -0.31 0.00 -0.02 0.00 0.00 57.16 57.42 2fe0 n GLU 8 Cb 0.17 -4.42 -0.17 0.00 -0.02 0.00 0.00 31.44 27.00 2fe0 n GLU 8 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2fe0 s ASN 9 N -1.54 2.79 0.00 1.62 0.01 -1.26 -5.12 114.94 111.44 2fe0 s ASN 9 Ca 0.00 -0.52 -0.01 0.00 -0.71 0.00 0.00 52.86 51.62 2fe0 s ASN 9 Cb 0.00 -1.27 -0.01 0.00 0.41 0.00 0.00 41.25 40.38 2fe0 s ASN 9 CO 0.00 0.05 0.02 -0.55 -1.51 0.00 0.00 177.10 175.11 2fe0 s SER 10 N 0.90 0.09 0.00 -1.22 0.15 -1.26 -5.16 113.70 107.19 2fe0 s SER 10 Ca -0.07 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2fe0 s SER 10 Cb -0.15 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2fe0 s SER 10 CO -0.02 -0.18 0.00 -0.24 1.20 0.00 0.00 173.24 174.00 2fe0 n SER 11 N 2.23 0.00 -3.80 5.45 2.88 -1.26 -5.06 113.62 114.05 2fe0 n SER 11 Ca -0.19 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.23 2fe0 n SER 11 Cb 0.57 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.90 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2fe0 s VAL 12 N 0.00 -0.02 -0.02 2.46 1.01 -1.26 -5.03 120.40 117.54 2fe0 s VAL 12 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2fe0 s VAL 12 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 2fe0 s VAL 12 CO 0.00 0.03 -0.15 -0.89 0.00 0.00 0.00 175.10 174.09 2fe0 s THR 13 N 0.48 1.22 0.42 3.92 2.01 -1.26 -5.15 115.64 117.28 2fe0 s THR 13 Ca -0.03 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.40 2fe0 s THR 13 Cb -0.05 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.37 2fe0 s THR 13 CO -0.02 0.35 0.08 -0.31 -0.69 0.00 0.00 174.62 174.03 2fe0 s TYR 14 N -0.18 2.47 0.00 4.92 2.02 -1.26 -4.80 117.35 120.52 2fe0 s TYR 14 Ca 0.02 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2fe0 s TYR 14 Cb -0.08 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 2fe0 s TYR 14 CO 0.00 0.31 0.00 1.55 -1.57 0.00 0.00 175.55 175.84 2fe0 n VAL 15 N -1.11 0.00 1.36 0.71 3.14 -1.26 -4.84 118.33 116.32 2fe0 n VAL 15 Ca -0.05 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.44 2fe0 n VAL 15 Cb 0.66 -0.49 0.41 0.00 -1.06 0.00 0.00 33.84 33.36 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2fe0 n ASN 16 N -2.47 1.39 0.00 6.55 3.02 -1.26 -5.01 115.26 117.49 2fe0 n ASN 16 Ca 0.00 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.89 2fe0 n ASN 16 Cb 0.00 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2fe0 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fe0 n GLY 17 N 1.07 2.22 3.88 7.41 0.00 -1.26 -4.92 105.19 113.59 2fe0 n GLY 17 Ca 0.16 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 2fe0 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fe0 s ARG 18 N -1.70 3.78 0.64 1.61 3.00 -1.26 -4.83 118.95 120.19 2fe0 s ARG 18 Ca 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 55.73 55.89 2fe0 s ARG 18 Cb 0.00 -2.51 -0.01 0.00 0.00 0.00 0.00 34.95 32.42 2fe0 s ARG 18 CO 0.00 0.12 1.29 -2.30 0.00 0.00 0.00 175.30 174.41 2fe0 n PRO 19 N -0.85 1.14 -0.02 3.54 -0.02 -1.26 -4.90 135.00 132.63 2fe0 n PRO 19 Ca 0.01 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2fe0 n PRO 19 Cb 0.54 -2.53 0.59 0.00 -0.02 0.00 0.00 33.50 32.08 2fe0 n PRO 19 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2fe0 n THR 20 N -1.86 0.05 -4.26 3.45 -2.24 -1.26 -4.81 114.28 103.36 2fe0 n THR 20 Ca 0.16 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 2fe0 n THR 20 Cb 0.48 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.58 2fe0 n THR 20 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2fe0 s PHE 21 N -1.95 0.95 0.00 4.78 5.36 -1.26 -5.00 117.98 120.87 2fe0 s PHE 21 Ca 0.36 -0.33 0.04 0.00 -0.96 0.00 0.00 56.93 56.04 2fe0 s PHE 21 Cb 0.18 -0.57 -0.01 0.00 -0.34 0.00 0.00 43.02 42.28 2fe0 s PHE 21 CO 0.29 -0.00 -0.12 0.08 -1.46 0.00 0.00 175.22 174.00 2fe0 s VAL 22 N -0.80 0.98 0.00 3.12 1.01 -1.26 -5.06 120.40 118.39 2fe0 s VAL 22 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2fe0 s VAL 22 Cb -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2fe0 s VAL 22 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2fe0 n GLY 23 N 2.54 2.65 2.05 4.51 0.00 -1.26 -4.89 105.19 110.78 2fe0 n GLY 23 Ca -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2fe0 n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fe0 n GLU 24 N 0.00 0.00 -3.17 1.61 1.02 0.51 -4.86 120.64 115.75 2fe0 n GLU 24 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 2fe0 n GLU 24 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2fe0 s GLU 25 N -1.76 4.07 -0.10 3.49 2.12 -0.90 -4.95 118.70 120.67 2fe0 s GLU 25 Ca 0.00 0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.75 2fe0 s GLU 25 Cb 0.00 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 2fe0 s GLU 25 CO 0.00 -0.40 -0.08 0.08 -0.54 0.00 0.00 175.26 174.32 2fe0 s VAL 26 N 2.43 3.60 0.24 3.70 1.01 -1.26 -1.81 120.40 128.30 2fe0 s VAL 26 Ca 0.24 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2fe0 s VAL 26 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2fe0 s VAL 26 CO 0.09 0.56 0.13 0.42 0.00 0.00 0.00 175.10 176.30 2fe0 s THR 27 N -0.34 0.27 -0.14 3.92 -4.23 0.84 -4.94 115.64 111.02 2fe0 s THR 27 Ca 0.05 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 2fe0 s THR 27 Cb -0.12 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.20 2fe0 s THR 27 CO 0.02 0.00 -0.01 -1.59 -0.54 0.00 0.00 174.62 172.51 2fe0 s LYS 28 N -4.04 0.92 0.04 3.99 -2.85 -1.26 0.26 119.74 116.80 2fe0 s LYS 28 Ca 0.38 -0.27 -0.16 0.00 -1.00 0.00 0.00 55.97 54.92 2fe0 s LYS 28 Cb 0.07 -1.69 -0.08 0.00 -2.06 0.00 0.00 37.83 34.07 2fe0 s LYS 28 CO 0.14 -0.45 1.24 0.78 0.10 0.00 0.00 175.35 177.16 2fe0 h GLY 29 N 8.23 -0.94 -6.36 0.59 0.00 -1.74 -3.40 103.07 99.45 2fe0 h GLY 29 Ca -0.20 0.42 -0.60 0.00 0.00 0.00 0.00 47.33 46.94 2fe0 h GLY 29 CO 0.34 -0.31 0.06 -1.36 0.00 0.00 0.00 176.54 175.27 2fe0 s PHE 30 N -4.23 3.32 0.01 5.60 0.08 -1.26 -4.93 117.98 116.57 2fe0 s PHE 30 Ca -0.08 0.79 0.24 0.00 0.12 0.00 0.00 56.93 58.00 2fe0 s PHE 30 Cb 0.02 -2.76 0.78 0.00 -0.57 0.00 0.00 43.02 40.49 2fe0 s PHE 30 CO 0.26 -0.22 1.76 1.49 -0.10 0.00 0.00 175.22 178.41 2fe0 h GLU 31 N 7.71 0.00 -7.05 0.44 4.81 -1.85 -3.36 114.58 115.28 2fe0 h GLU 31 Ca -0.30 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.40 2fe0 h GLU 31 Cb 1.14 0.00 0.20 0.00 0.63 0.00 0.00 28.75 30.72 2fe0 h GLU 31 CO 0.75 0.21 -0.04 1.63 -0.73 0.00 0.00 179.01 180.83 2fe0 n LYS 32 N -3.29 -0.17 0.00 1.92 4.76 -1.26 -4.33 118.16 115.79 2fe0 n LYS 32 Ca 0.01 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2fe0 n LYS 32 Cb 0.47 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 2fe0 n LYS 32 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2fe0 n ASP 33 N -2.77 0.00 -0.73 4.39 2.03 -1.26 -1.79 116.55 116.42 2fe0 n ASP 33 Ca 0.11 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.49 2fe0 n ASP 33 Cb 0.52 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.13 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2fe0 n ASN 34 N -0.92 2.13 0.00 1.67 3.02 -1.26 -4.84 115.26 115.06 2fe0 n ASN 34 Ca 0.00 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 2fe0 n ASN 34 Cb 0.00 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fe0 n GLY 35 N 1.15 2.20 5.15 7.41 0.00 -0.74 -4.59 105.19 115.78 2fe0 n GLY 35 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2fe0 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe0 n LEU 36 N 0.00 0.00 -4.53 0.99 4.77 -1.26 -4.05 117.00 112.92 2fe0 n LEU 36 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2fe0 n LEU 36 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2fe0 n LEU 36 CO 0.00 0.00 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.51 2fe0 s LEU 37 N 0.00 3.38 -0.18 2.23 2.96 -1.26 -3.47 118.68 122.34 2fe0 s LEU 37 Ca 0.00 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 2fe0 s LEU 37 Cb 0.00 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2fe0 s LEU 37 CO 0.00 0.18 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.82 2fe0 s PHE 38 N 0.31 3.00 -0.18 5.38 0.08 -1.22 -2.67 117.98 122.68 2fe0 s PHE 38 Ca -0.02 -0.48 -0.25 0.00 0.12 0.00 0.00 56.93 56.30 2fe0 s PHE 38 Cb -0.14 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2fe0 s PHE 38 CO 0.02 -0.20 0.84 0.50 -0.10 0.00 0.00 175.22 176.28 2fe0 s ARG 39 N 0.77 4.29 -0.13 0.44 3.52 0.74 -3.32 118.95 125.25 2fe0 s ARG 39 Ca -0.01 1.03 -0.02 0.00 -0.13 0.00 0.00 55.73 56.60 2fe0 s ARG 39 Cb -0.14 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 2fe0 s ARG 39 CO 0.02 -0.36 -0.08 0.42 -0.81 0.00 0.00 175.30 174.50 2fe0 s ILE 40 N 2.25 3.55 -0.05 4.11 1.01 -0.05 -0.11 121.20 131.90 2fe0 s ILE 40 Ca 0.38 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.55 2fe0 s ILE 40 Cb -0.16 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2fe0 s ILE 40 CO 0.12 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.84 2fe0 s VAL 41 N 0.19 0.55 -0.41 2.92 1.01 -0.75 -0.68 120.40 123.23 2fe0 s VAL 41 Ca -0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2fe0 s VAL 41 Cb -0.14 -0.58 0.09 0.00 0.00 0.00 0.00 36.38 35.75 2fe0 s VAL 41 CO 0.04 0.23 0.23 0.21 0.00 0.00 0.00 175.10 175.81 2fe0 s ASN 42 N 0.97 5.47 0.48 3.32 3.04 -1.15 -0.37 114.94 126.71 2fe0 s ASN 42 Ca -0.10 -1.67 0.20 0.00 0.04 0.00 0.00 52.86 51.34 2fe0 s ASN 42 Cb -0.14 -1.92 1.23 0.00 -1.54 0.00 0.00 41.25 38.88 2fe0 s ASN 42 CO -0.00 -0.53 1.97 0.11 -3.04 0.00 0.00 177.10 175.61 2fe0 h LYS 43 N 8.28 0.19 0.00 0.43 1.57 -1.91 2.18 116.57 127.31 2fe0 h LYS 43 Ca -0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2fe0 h LYS 43 Cb 1.07 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2fe0 h LYS 43 CO 0.73 0.13 0.00 1.17 -0.57 0.00 0.00 179.45 180.91 2fe0 n LYS 44 N -4.43 0.00 0.00 3.15 0.00 -1.26 -2.84 118.16 112.78 2fe0 n LYS 44 Ca 0.11 0.83 0.12 0.00 0.00 0.00 0.00 58.31 59.37 2fe0 n LYS 44 Cb 0.55 -1.49 0.13 0.00 0.00 0.00 0.00 35.03 34.22 2fe0 n LYS 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2fe0 n LYS 45 N -2.64 1.68 -3.39 1.64 5.02 -1.10 -4.96 118.16 114.42 2fe0 n LYS 45 Ca 0.00 -1.33 -0.24 0.00 -2.02 0.00 0.00 58.31 54.72 2fe0 n LYS 45 Cb 0.00 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.58 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2fe0 n LYS 46 N 0.50 -6.01 -3.69 1.97 4.76 0.74 -4.36 118.16 112.07 2fe0 n LYS 46 Ca 0.13 0.80 -0.36 0.00 -2.87 0.00 0.00 58.31 56.01 2fe0 n LYS 46 Cb 0.50 -5.73 -0.09 0.00 -1.84 0.00 0.00 35.03 27.87 2fe0 n LYS 46 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2fe0 s GLN 47 N -6.09 4.09 0.24 1.97 -2.07 -1.14 -2.04 119.66 114.62 2fe0 s GLN 47 Ca 0.47 -0.26 -0.20 0.00 -1.82 0.00 0.00 55.36 53.55 2fe0 s GLN 47 Cb -0.22 -3.50 -0.08 0.00 -1.09 0.00 0.00 33.01 28.12 2fe0 s GLN 47 CO 0.58 0.12 0.74 -1.58 -1.32 0.00 0.00 175.29 173.83 2fe0 s TRP 48 N 0.90 3.63 -0.02 9.60 0.52 0.15 -2.91 118.94 130.80 2fe0 s TRP 48 Ca 0.07 1.41 -0.07 0.00 0.02 0.00 0.00 56.10 57.54 2fe0 s TRP 48 Cb -0.13 -2.64 0.01 0.00 -1.15 0.00 0.00 33.47 29.56 2fe0 s TRP 48 CO 0.03 0.31 0.15 0.00 0.02 0.00 0.00 176.95 177.46 2fe0 s ALA 49 N -1.57 -0.37 -0.04 0.98 0.00 0.15 -1.12 121.76 119.79 2fe0 s ALA 49 Ca 0.44 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.57 2fe0 s ALA 49 Cb -0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2fe0 s ALA 49 CO 0.21 -0.16 -0.20 0.71 0.00 0.00 0.00 175.76 176.32 2fe0 s TYR 50 N -0.80 1.95 -0.13 0.00 2.02 -1.21 -0.88 117.35 118.30 2fe0 s TYR 50 Ca -0.09 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.11 2fe0 s TYR 50 Cb -0.05 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 2fe0 s TYR 50 CO 0.01 -0.15 -0.21 -0.47 -1.57 0.00 0.00 175.55 173.16 2fe0 s TYR 51 N -0.13 2.66 -0.11 2.71 5.04 -1.21 -3.47 117.35 122.85 2fe0 s TYR 51 Ca -0.01 -1.21 -0.14 0.00 -2.44 0.00 0.00 57.07 53.26 2fe0 s TYR 51 Cb -0.11 -1.80 -0.05 0.00 0.35 0.00 0.00 41.96 40.35 2fe0 s TYR 51 CO 0.02 -0.54 0.33 1.21 -1.34 0.00 0.00 175.55 175.23 2fe0 s ASN 52 N 0.69 6.56 -0.20 4.32 2.47 -1.26 -3.39 114.94 124.13 2fe0 s ASN 52 Ca -0.10 0.66 0.01 0.00 0.42 0.00 0.00 52.86 53.85 2fe0 s ASN 52 Cb -0.16 -2.20 -0.12 0.00 -1.45 0.00 0.00 41.25 37.32 2fe0 s ASN 52 CO 0.01 0.18 -0.18 -0.90 -3.72 0.00 0.00 177.10 172.50 2fe0 n ASP 53 N 2.94 2.42 -4.63 -4.21 5.75 -1.23 -2.83 116.55 114.76 2fe0 n ASP 53 Ca -0.13 -0.08 -0.44 0.00 -0.01 0.00 0.00 54.79 54.13 2fe0 n ASP 53 Cb 0.52 -0.33 -0.04 0.00 -1.03 0.00 0.00 41.12 40.25 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2fe0 n THR 54 N -3.13 0.58 1.39 2.12 -2.24 -1.26 -4.63 114.28 107.10 2fe0 n THR 54 Ca -0.35 -0.24 0.14 0.00 -2.27 0.00 0.00 64.05 61.33 2fe0 n THR 54 Cb 0.86 -2.29 0.54 0.00 -2.10 0.00 0.00 70.33 67.34 2fe0 n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2fe0 n THR 55 N 6.25 0.00 -0.10 4.28 -2.24 -1.26 -3.97 114.28 117.24 2fe0 n THR 55 Ca 0.25 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.69 2fe0 n THR 55 Cb 0.39 0.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 2fe0 n THR 55 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2fe0 n GLN 56 N -0.74 0.62 -4.25 -0.78 7.27 -1.26 -4.97 117.38 113.26 2fe0 n GLN 56 Ca 0.15 0.34 -0.29 0.00 0.07 0.00 0.00 57.00 57.26 2fe0 n GLN 56 Cb 0.30 -1.61 -0.10 0.00 2.41 0.00 0.00 30.24 31.24 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2fe0 s TYR 57 N -2.48 2.67 0.19 3.69 2.02 -1.25 -3.12 117.35 119.07 2fe0 s TYR 57 Ca -0.32 -0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 56.12 2fe0 s TYR 57 Cb 0.10 -1.39 -0.06 0.00 -0.40 0.00 0.00 41.96 40.20 2fe0 s TYR 57 CO 0.59 0.43 0.45 -1.83 -1.57 0.00 0.00 175.55 173.62 2fe0 s GLU 58 N -2.27 3.69 -0.23 -0.62 -1.05 0.28 -4.59 118.70 113.92 2fe0 s GLU 58 Ca 0.21 0.06 -0.16 0.00 -0.15 0.00 0.00 54.97 54.92 2fe0 s GLU 58 Cb -0.11 -2.76 -0.03 0.00 -0.44 0.00 0.00 34.13 30.79 2fe0 s GLU 58 CO 0.13 0.39 0.44 -1.64 0.95 0.00 0.00 175.26 175.53 2fe0 s MET 59 N -2.77 4.12 -0.26 -4.83 -1.94 -1.12 -1.91 119.30 110.59 2fe0 s MET 59 Ca 0.44 0.22 -0.07 0.00 -1.71 0.00 0.00 55.69 54.57 2fe0 s MET 59 Cb -0.12 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 2fe0 s MET 59 CO 0.23 -0.18 0.07 -1.01 -0.01 0.00 0.00 175.02 174.12 2fe0 s HIS 60 N 1.76 3.09 -0.15 -0.03 3.76 -0.71 -1.39 115.29 121.62 2fe0 s HIS 60 Ca 0.19 -0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 54.46 2fe0 s HIS 60 Cb -0.15 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 2fe0 s HIS 60 CO 0.09 -0.40 0.23 0.08 -0.85 0.00 0.00 174.74 173.89 2fe0 s VAL 61 N 1.59 5.35 -0.35 -0.90 1.01 -0.74 -2.48 120.40 123.88 2fe0 s VAL 61 Ca 0.06 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2fe0 s VAL 61 Cb -0.15 -3.55 0.14 0.00 0.00 0.00 0.00 36.38 32.82 2fe0 s VAL 61 CO 0.03 0.47 0.27 -0.22 0.00 0.00 0.00 175.10 175.64 2fe0 s LEU 62 N 0.00 0.47 -0.10 3.92 2.96 0.11 -2.43 118.68 123.60 2fe0 s LEU 62 Ca 0.14 -1.76 0.01 0.00 -0.22 0.00 0.00 54.13 52.31 2fe0 s LEU 62 Cb -0.13 0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 2fe0 s LEU 62 CO 0.03 -0.31 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.94 2fe0 s VAL 63 N 1.42 3.22 -0.10 1.68 1.01 -1.20 -0.25 120.40 126.18 2fe0 s VAL 63 Ca 0.16 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2fe0 s VAL 63 Cb -0.19 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2fe0 s VAL 63 CO -0.08 0.55 -0.10 -0.89 0.00 0.00 0.00 175.10 174.58 2fe0 s THR 64 N -0.16 3.33 0.32 3.92 2.01 0.83 -2.53 115.64 123.36 2fe0 s THR 64 Ca 0.00 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 61.51 2fe0 s THR 64 Cb -0.13 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 2fe0 s THR 64 CO 0.03 0.55 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.07 2fe0 s PHE 65 N -0.15 2.45 0.60 4.92 0.40 0.78 -0.82 117.98 126.16 2fe0 s PHE 65 Ca 0.00 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 2fe0 s PHE 65 Cb -0.13 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 2fe0 s PHE 65 CO 0.03 0.59 0.99 1.21 0.70 0.00 0.00 175.22 178.75 2fe0 s ASN 66 N -3.62 6.19 0.17 1.36 2.47 -1.25 -0.48 114.94 119.78 2fe0 s ASN 66 Ca 0.32 1.32 -0.20 0.00 0.42 0.00 0.00 52.86 54.73 2fe0 s ASN 66 Cb -0.01 -2.40 0.09 0.00 -1.45 0.00 0.00 41.25 37.48 2fe0 s ASN 66 CO 0.17 -0.85 1.63 -0.08 -3.72 0.00 0.00 177.10 174.25 2fe0 h GLU 67 N -0.25 -0.15 -5.21 0.43 4.81 -1.65 -3.16 114.58 109.40 2fe0 h GLU 67 Ca -0.45 0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.25 2fe0 h GLU 67 Cb 1.20 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 2fe0 h GLU 67 CO 0.62 -0.10 1.92 -3.47 -0.73 0.00 0.00 179.01 177.25 2fe0 n ASP 68 N -5.39 3.64 -3.40 1.04 2.03 -1.26 -4.79 116.55 108.42 2fe0 n ASP 68 Ca 0.02 -2.78 -0.05 0.00 0.52 0.00 0.00 54.79 52.50 2fe0 n ASP 68 Cb 0.30 -1.61 -0.06 0.00 -0.72 0.00 0.00 41.12 39.02 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fe0 n ASP 70 N 5.39 4.32 -4.37 0.00 2.03 -1.18 -4.91 116.55 117.84 2fe0 n ASP 70 Ca -0.05 -2.85 -0.23 0.00 0.52 0.00 0.00 54.79 52.19 2fe0 n ASP 70 Cb 0.50 -1.75 -0.11 0.00 -0.72 0.00 0.00 41.12 39.04 2fe0 n ASP 70 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2fe0 s ILE 71 N 6.45 1.98 0.08 5.18 -4.36 -1.25 0.17 121.20 129.46 2fe0 s ILE 71 Ca 0.59 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 2fe0 s ILE 71 Cb 0.03 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 2fe0 s ILE 71 CO 0.10 -0.32 -0.03 -0.75 0.24 0.00 0.00 174.94 174.17 2fe0 s LYS 72 N -2.96 0.75 0.04 0.37 2.20 0.23 -4.95 119.74 115.43 2fe0 s LYS 72 Ca 0.19 -1.30 -0.16 0.00 -0.36 0.00 0.00 55.97 54.33 2fe0 s LYS 72 Cb -0.05 0.03 -0.06 0.00 -1.51 0.00 0.00 37.83 36.23 2fe0 s LYS 72 CO 0.08 -0.09 0.48 0.00 -0.36 0.00 0.00 175.35 175.46 2fe0 s ALA 73 N -3.81 3.65 0.00 3.13 0.00 -1.26 -1.28 121.76 122.19 2fe0 s ALA 73 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2fe0 s ALA 73 Cb 0.07 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2fe0 s ALA 73 CO -0.06 0.45 0.00 1.28 0.00 0.00 0.00 175.76 177.43 2fe0 n LEU 74 N 1.68 0.00 0.00 0.00 4.77 -0.47 -4.89 117.00 118.09 2fe0 n LEU 74 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2fe0 n LEU 74 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2fe0 n LEU 74 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2fe0 n GLY 75 N 4.27 -2.76 0.00 -0.72 0.00 -1.25 -4.56 105.19 100.17 2fe0 n GLY 75 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2fe0 n GLY 75 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2fe0 n LYS 76 N 0.00 0.00 -1.60 1.61 2.85 -1.26 -4.73 118.16 115.02 2fe0 n LYS 76 Ca 0.00 0.10 -0.58 0.00 -1.05 0.00 0.00 58.31 56.78 2fe0 n LYS 76 Cb 0.00 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2fe0 n THR 77 N -1.10 0.20 -2.68 0.58 -1.04 -1.26 -4.87 114.28 104.12 2fe0 n THR 77 Ca 0.00 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 2fe0 n THR 77 Cb 0.00 -1.11 -0.02 0.00 -1.82 0.00 0.00 70.33 67.37 2fe0 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2fe0 s LYS 78 N 4.36 4.36 -0.09 -2.82 2.47 -1.18 -4.61 119.74 122.23 2fe0 s LYS 78 Ca 1.05 1.37 0.04 0.00 -1.56 0.00 0.00 55.97 56.87 2fe0 s LYS 78 Cb -1.15 -3.58 -0.01 0.00 -1.46 0.00 0.00 37.83 31.63 2fe0 s LYS 78 CO 0.65 -0.44 -0.21 -1.17 0.16 0.00 0.00 175.35 174.34 2fe0 s LEU 79 N 2.48 2.27 0.04 5.43 2.96 -1.26 -3.30 118.68 127.30 2fe0 s LEU 79 Ca 0.46 -0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 53.70 2fe0 s LEU 79 Cb -0.17 -1.45 0.05 0.00 0.50 0.00 0.00 46.19 45.11 2fe0 s LEU 79 CO 0.13 0.20 0.49 -1.83 -1.32 0.00 0.00 176.35 174.02 2fe0 s GLU 80 N 0.10 0.99 0.11 1.98 -1.05 -1.11 -5.01 118.70 114.72 2fe0 s GLU 80 Ca -0.10 -0.27 0.05 0.00 -0.15 0.00 0.00 54.97 54.50 2fe0 s GLU 80 Cb -0.16 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 2fe0 s GLU 80 CO 0.06 -0.35 0.02 -1.14 0.95 0.00 0.00 175.26 174.79 2fe0 s GLN 81 N -2.43 2.56 0.39 -4.83 0.74 -1.26 -1.80 119.66 113.03 2fe0 s GLN 81 Ca -0.05 -0.89 0.08 0.00 0.05 0.00 0.00 55.36 54.54 2fe0 s GLN 81 Cb -0.01 -2.52 -0.02 0.00 1.10 0.00 0.00 33.01 31.57 2fe0 s GLN 81 CO -0.02 0.52 0.39 -0.65 -0.55 0.00 0.00 175.29 174.98 2fe0 s GLN 82 N -2.51 2.68 0.29 1.67 -1.52 -0.57 -4.95 119.66 114.74 2fe0 s GLN 82 Ca 0.27 -1.38 0.00 0.00 -1.95 0.00 0.00 55.36 52.29 2fe0 s GLN 82 Cb -0.11 -2.50 0.44 0.00 -0.22 0.00 0.00 33.01 30.62 2fe0 s GLN 82 CO 0.19 -0.11 1.83 0.93 -0.25 0.00 0.00 175.29 177.88 2fe0 h GLU 83 N 1.02 0.75 0.00 2.91 5.08 -2.00 -1.82 114.58 120.52 2fe0 h GLU 83 Ca -0.42 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2fe0 h GLU 83 Cb 1.26 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2fe0 h GLU 83 CO 0.55 0.70 -0.02 -2.95 -1.00 0.00 0.00 179.01 176.30 2fe0 h ASN 84 N 0.72 0.00 -0.10 1.42 -0.00 -2.05 -3.46 115.58 112.11 2fe0 h ASN 84 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.46 2fe0 h ASN 84 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 2fe0 h ASN 84 CO 0.00 0.02 0.00 0.61 -0.00 0.00 0.00 177.43 178.06 2fe0 n GLY 85 N -1.22 0.81 3.01 9.14 0.00 -0.68 -5.00 105.19 111.24 2fe0 n GLY 85 Ca -0.03 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 2fe0 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fe0 s GLU 86 N -1.35 0.27 -0.12 1.61 2.02 -1.25 -1.63 118.70 118.24 2fe0 s GLU 86 Ca 0.00 -0.27 -0.06 0.00 0.02 0.00 0.00 54.97 54.66 2fe0 s GLU 86 Cb 0.00 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.30 2fe0 s GLU 86 CO 0.00 -0.05 0.11 -1.58 0.02 0.00 0.00 175.26 173.76 2fe0 s TRP 87 N -0.85 3.49 -0.04 1.61 0.52 0.37 -1.51 118.94 122.51 2fe0 s TRP 87 Ca -0.09 0.43 0.04 0.00 0.02 0.00 0.00 56.10 56.50 2fe0 s TRP 87 Cb -0.06 -1.93 -0.00 0.00 -1.15 0.00 0.00 33.47 30.33 2fe0 s TRP 87 CO 0.00 0.63 -0.16 0.08 0.02 0.00 0.00 176.95 177.52 2fe0 s VAL 88 N -0.83 1.35 -0.22 4.03 1.01 -0.74 -0.15 120.40 124.83 2fe0 s VAL 88 Ca 0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2fe0 s VAL 88 Cb -0.12 -1.17 0.07 0.00 0.00 0.00 0.00 36.38 35.17 2fe0 s VAL 88 CO 0.03 0.39 0.08 0.00 0.00 0.00 0.00 175.10 175.61 2fe0 s ALA 89 N 0.09 0.79 0.01 5.51 0.00 -1.05 -2.74 121.76 124.37 2fe0 s ALA 89 Ca -0.04 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2fe0 s ALA 89 Cb -0.11 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 2fe0 s ALA 89 CO 0.02 -1.34 -0.21 -1.54 0.00 0.00 0.00 175.76 172.69 2fe0 s SER 90 N 1.97 3.57 -0.16 0.00 1.04 -1.21 -3.22 113.70 115.69 2fe0 s SER 90 Ca 0.04 -0.43 -0.28 0.00 0.48 0.00 0.00 55.95 55.76 2fe0 s SER 90 Cb -0.17 -0.54 0.08 0.00 0.10 0.00 0.00 66.02 65.50 2fe0 s SER 90 CO -0.17 0.28 0.78 0.54 0.98 0.00 0.00 173.24 175.65 2fe0 s VAL 91 N -0.81 0.00 -0.16 5.02 0.11 -1.02 -3.11 120.40 120.43 2fe0 s VAL 91 Ca 0.13 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 2fe0 s VAL 91 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.03 0.00 0.10 -0.69 -3.33 0.00 0.00 175.10 171.20 2fe0 s VAL 92 N -0.53 5.14 -0.10 2.04 1.01 -1.26 -1.80 120.40 124.91 2fe0 s VAL 92 Ca -0.05 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2fe0 s VAL 92 Cb -0.02 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 2fe0 s VAL 92 CO 0.04 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.85 2fe0 s VAL 93 N -0.21 3.19 0.30 2.92 1.01 -0.49 -5.03 120.40 122.09 2fe0 s VAL 93 Ca 0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2fe0 s VAL 93 Cb -0.12 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2fe0 s VAL 93 CO 0.01 0.55 0.55 -0.31 0.00 0.00 0.00 175.10 175.90 2fe0 s TYR 94 N -0.15 3.49 1.00 5.22 2.02 -1.26 -2.78 117.35 124.89 2fe0 s TYR 94 Ca -0.00 0.55 -0.12 0.00 -0.37 0.00 0.00 57.07 57.13 2fe0 s TYR 94 Cb -0.13 -2.04 0.13 0.00 -0.40 0.00 0.00 41.96 39.52 2fe0 s TYR 94 CO 0.03 0.16 0.74 -2.30 -1.57 0.00 0.00 175.55 172.61 2fe0 n PRO 95 N -1.17 -0.91 -1.87 -1.71 -0.02 -1.26 -2.33 135.00 125.73 2fe0 n PRO 95 Ca -0.03 -0.22 -0.01 0.00 -2.02 0.00 0.00 63.50 61.23 2fe0 n PRO 95 Cb 0.54 -2.09 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2fe0 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fe0 s GLU 97 N -3.76 0.05 -0.19 0.00 0.41 -0.98 -4.98 118.70 109.24 2fe0 s GLU 97 Ca 0.00 0.30 -0.02 0.00 -0.41 0.00 0.00 54.97 54.84 2fe0 s GLU 97 Cb 0.00 -0.18 -0.00 0.00 -1.78 0.00 0.00 34.13 32.16 2fe0 s GLU 97 CO 0.00 -0.16 -0.09 0.99 -0.49 0.00 0.00 175.26 175.51 2fe0 s THR 98 N 1.06 3.03 0.27 3.63 2.01 -1.26 -3.97 115.64 120.40 2fe0 s THR 98 Ca -0.08 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.39 2fe0 s THR 98 Cb -0.11 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2fe0 s THR 98 CO -0.05 0.47 0.00 -1.61 -0.69 0.00 0.00 174.62 172.75 2fe0 s GLU 99 N 1.20 2.30 0.39 4.92 2.02 -1.23 -4.95 118.70 123.36 2fe0 s GLU 99 Ca 0.02 -1.42 -0.19 0.00 0.02 0.00 0.00 54.97 53.40 2fe0 s GLU 99 Cb -0.14 -2.16 -0.10 0.00 0.10 0.00 0.00 34.13 31.82 2fe0 s GLU 99 CO -0.03 0.35 0.87 -1.64 0.02 0.00 0.00 175.26 174.83 2fe0 s MET 100 N -3.68 4.16 0.00 1.61 -1.94 -1.26 -3.32 119.30 114.86 2fe0 s MET 100 Ca 0.32 0.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.26 2fe0 s MET 100 Cb -0.06 -2.28 0.00 0.00 2.01 0.00 0.00 34.83 34.50 2fe0 s MET 100 CO 0.20 0.04 0.00 0.34 -0.01 0.00 0.00 175.02 175.59 2fe0 n PHE 101 N -0.52 0.00 -4.30 -0.03 7.35 -0.28 -3.78 117.46 115.91 2fe0 n PHE 101 Ca 0.06 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.56 2fe0 n PHE 101 Cb 0.54 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.26 2fe0 n PHE 101 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2fe0 s ILE 102 N 1.14 1.60 0.08 -2.13 -5.25 -1.25 -1.37 121.20 114.02 2fe0 s ILE 102 Ca 0.00 -1.95 0.03 0.00 -0.99 0.00 0.00 60.65 57.74 2fe0 s ILE 102 Cb 0.00 -1.80 -0.03 0.00 2.95 0.00 0.00 42.46 43.58 2fe0 s ILE 102 CO 0.00 -0.46 -0.10 -0.70 -1.79 0.00 0.00 174.94 171.90 2fe0 s GLU 103 N -3.06 0.75 0.00 0.37 2.12 -0.41 0.31 118.70 118.79 2fe0 s GLU 103 Ca 0.16 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2fe0 s GLU 103 Cb -0.03 -0.46 0.00 0.00 0.26 0.00 0.00 34.13 33.89 2fe0 s GLU 103 CO 0.05 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 2fe0 n GLY 104 N 0.83 0.60 3.84 -1.50 0.00 -0.87 0.78 105.19 108.87 2fe0 n GLY 104 Ca -0.18 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 2fe0 n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fe0 s ARG 105 N -0.37 3.95 -0.06 1.61 3.52 0.45 -4.86 118.95 123.19 2fe0 s ARG 105 Ca 0.00 0.44 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 2fe0 s ARG 105 Cb 0.00 -3.16 -0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2fe0 s ARG 105 CO 0.00 0.64 -0.20 0.08 -0.81 0.00 0.00 175.30 175.01 2fe0 s VAL 106 N -1.17 1.68 -0.07 7.11 1.01 -1.26 -3.09 120.40 124.61 2fe0 s VAL 106 Ca 0.27 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2fe0 s VAL 106 Cb -0.17 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2fe0 s VAL 106 CO 0.16 0.48 -0.01 0.20 0.00 0.00 0.00 175.10 175.92 2fe0 s ASN 107 N 0.12 1.52 -0.04 3.32 0.01 -1.26 -4.99 114.94 113.62 2fe0 s ASN 107 Ca -0.08 -0.10 -0.02 0.00 -0.71 0.00 0.00 52.86 51.94 2fe0 s ASN 107 Cb -0.14 -0.47 0.01 0.00 0.41 0.00 0.00 41.25 41.06 2fe0 s ASN 107 CO 0.04 -0.17 0.04 0.61 -1.51 0.00 0.00 177.10 176.11 2fe0 n GLY 108 N 4.97 -0.99 3.06 0.66 0.00 -1.26 -4.37 105.19 107.26 2fe0 n GLY 108 Ca -0.10 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 2fe0 n GLY 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fe0 s PHE 109 N -0.28 0.45 -0.17 1.61 -0.71 -1.26 -3.90 117.98 113.73 2fe0 s PHE 109 Ca -0.05 -0.88 -0.03 0.00 -1.04 0.00 0.00 56.93 54.93 2fe0 s PHE 109 Cb 0.00 -0.33 -0.02 0.00 -1.21 0.00 0.00 43.02 41.46 2fe0 s PHE 109 CO 0.15 -0.31 -0.05 0.21 -1.34 0.00 0.00 175.22 173.89 2fe0 s LYS 110 N -3.09 3.57 -0.12 1.99 2.20 -0.00 -4.98 119.74 119.32 2fe0 s LYS 110 Ca -0.00 -0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 55.01 2fe0 s LYS 110 Cb 0.02 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 2fe0 s LYS 110 CO -0.07 0.14 -0.01 -1.12 -0.36 0.00 0.00 175.35 173.94 2fe0 s SER 111 N 0.61 5.09 -0.04 1.43 0.01 -1.26 -0.12 113.70 119.42 2fe0 s SER 111 Ca -0.03 0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.25 2fe0 s SER 111 Cb -0.15 -1.60 0.03 0.00 0.21 0.00 0.00 66.02 64.52 2fe0 s SER 111 CO 0.03 0.29 0.07 -0.75 0.41 0.00 0.00 173.24 173.29 2fe0 s LYS 112 N -0.35 -0.03 0.30 12.44 2.47 0.66 -4.98 119.74 130.26 2fe0 s LYS 112 Ca 0.07 0.33 0.03 0.00 -1.56 0.00 0.00 55.97 54.84 2fe0 s LYS 112 Cb -0.12 -0.34 -0.04 0.00 -1.46 0.00 0.00 37.83 35.86 2fe0 s LYS 112 CO 0.02 -0.25 0.12 -1.64 0.16 0.00 0.00 175.35 173.77 2fe0 s MET 113 N 1.67 1.58 0.18 4.03 -1.94 -1.26 0.04 119.30 123.59 2fe0 s MET 113 Ca -0.02 -1.89 -0.24 0.00 -1.71 0.00 0.00 55.69 51.82 2fe0 s MET 113 Cb -0.12 -0.31 0.06 0.00 2.01 0.00 0.00 34.83 36.47 2fe0 s MET 113 CO -0.04 -0.37 0.92 0.34 -0.01 0.00 0.00 175.02 175.87 2fe0 s ASP 114 N -3.39 -0.18 -0.40 3.03 -1.08 -1.04 -5.00 116.67 108.61 2fe0 s ASP 114 Ca 0.35 -0.45 0.02 0.00 -0.52 0.00 0.00 52.55 51.95 2fe0 s ASP 114 Cb 0.06 0.53 0.12 0.00 -1.46 0.00 0.00 42.92 42.17 2fe0 s ASP 114 CO 0.16 -0.98 0.17 0.00 0.52 0.00 0.00 175.17 175.03 2fe0 s ALA 115 N -3.36 2.31 0.16 3.66 0.00 -1.26 -1.73 121.76 121.55 2fe0 s ALA 115 Ca 0.12 -2.44 -0.02 0.00 0.00 0.00 0.00 51.96 49.62 2fe0 s ALA 115 Cb -0.02 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 2fe0 s ALA 115 CO 0.03 -1.88 0.36 -0.51 0.00 0.00 0.00 175.76 173.76 2fe0 s LEU 116 N 0.70 4.26 0.98 0.00 1.43 -0.80 -4.80 118.68 120.45 2fe0 s LEU 116 Ca 0.14 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.54 2fe0 s LEU 116 Cb -0.22 -3.18 0.04 0.00 0.03 0.00 0.00 46.19 42.86 2fe0 s LEU 116 CO -0.08 0.02 0.29 -2.65 0.23 0.00 0.00 176.35 174.16 2fe0 n PRO 117 N -0.29 -0.48 -3.00 1.29 -0.02 -1.26 0.10 135.00 131.33 2fe0 n PRO 117 Ca -0.04 -0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 60.93 2fe0 n PRO 117 Cb 0.53 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 2fe0 n PRO 117 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2fe0 s LEU 118 N -0.74 4.17 0.92 2.45 1.43 -1.18 -4.31 118.68 121.42 2fe0 s LEU 118 Ca 0.56 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 2fe0 s LEU 118 Cb -0.19 -3.07 0.19 0.00 0.03 0.00 0.00 46.19 43.16 2fe0 s LEU 118 CO 0.68 -0.32 1.26 -0.44 0.23 0.00 0.00 176.35 177.75 2fe0 s SER 119 N 1.16 3.28 0.52 2.29 0.01 -1.26 -4.91 113.70 114.79 2fe0 s SER 119 Ca 0.34 0.05 0.18 0.00 1.31 0.00 0.00 55.95 57.82 2fe0 s SER 119 Cb -0.16 -0.12 1.30 0.00 0.21 0.00 0.00 66.02 67.25 2fe0 s SER 119 CO 0.12 -2.61 2.12 -0.08 0.41 0.00 0.00 173.24 173.20 2fe0 h GLU 120 N -1.43 0.00 -0.89 12.44 4.57 -2.01 -1.39 114.58 125.87 2fe0 h GLU 120 Ca -0.42 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 57.85 2fe0 h GLU 120 Cb 1.23 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.76 2fe0 h GLU 120 CO 0.36 0.00 0.58 0.93 -1.18 0.00 0.00 179.01 179.69 2fe0 h GLU 121 N 0.00 0.89 -0.34 1.92 5.08 -2.00 -1.53 114.58 118.61 2fe0 h GLU 121 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2fe0 h GLU 121 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2fe0 h GLU 121 CO -0.00 0.59 0.13 -0.92 -1.00 0.00 0.00 179.01 177.81 2fe0 h TYR 122 N 0.92 0.51 -0.88 4.33 3.20 -1.60 -0.14 116.97 123.32 2fe0 h TYR 122 Ca 0.40 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.32 2fe0 h TYR 122 Cb 0.34 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2fe0 h TYR 122 CO -0.00 0.48 0.54 0.00 -1.64 0.00 0.00 178.16 177.54 2fe0 h ARG 123 N 0.39 0.90 -0.25 1.82 3.08 -1.33 -0.70 114.38 118.29 2fe0 h ARG 123 Ca 0.11 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 2fe0 h ARG 123 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2fe0 h ARG 123 CO -0.01 0.59 -0.43 0.37 -1.07 0.00 0.00 179.97 179.42 2fe0 h GLN 124 N 0.93 0.63 -0.47 0.04 4.15 -1.10 -2.93 115.11 116.35 2fe0 h GLN 124 Ca 0.41 -0.34 0.03 0.00 0.77 0.00 0.00 58.65 59.52 2fe0 h GLN 124 Cb 0.29 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 2fe0 h GLN 124 CO -0.22 0.94 0.31 1.25 -1.93 0.00 0.00 178.83 179.19 2fe0 h HIS 125 N 0.51 0.51 -0.85 3.99 2.76 0.43 -1.23 115.15 121.28 2fe0 h HIS 125 Ca 0.04 0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.34 2fe0 h HIS 125 Cb 0.96 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.69 2fe0 h HIS 125 CO 0.04 0.30 0.55 1.96 -1.30 0.00 0.00 177.93 179.48 2fe0 h GLN 126 N 0.53 0.70 0.23 5.26 4.20 -1.12 1.30 115.11 126.21 2fe0 h GLN 126 Ca 0.19 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2fe0 h GLN 126 Cb 0.10 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2fe0 h GLN 126 CO -0.05 0.47 -0.11 0.00 -0.67 0.00 0.00 178.83 178.47 2fe0 h ALA 127 N 1.59 -0.31 0.00 3.87 0.00 -1.33 -2.95 119.26 120.14 2fe0 h ALA 127 Ca 0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2fe0 h ALA 127 Cb 0.58 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2fe0 h ALA 127 CO -0.17 -0.51 -0.14 0.93 0.00 0.00 0.00 179.25 179.35 2fe0 h GLU 128 N -0.63 0.00 -0.84 0.00 4.39 -1.30 -3.04 114.58 113.16 2fe0 h GLU 128 Ca -0.03 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.86 2fe0 h GLU 128 Cb 0.45 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.98 2fe0 h GLU 128 CO 0.05 0.14 0.32 -0.22 -1.16 0.00 0.00 179.01 178.14 2fe0 h LYS 129 N 0.00 0.36 -6.11 2.33 3.64 0.18 -3.36 116.57 113.61 2fe0 h LYS 129 Ca -0.00 -0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.78 2fe0 h LYS 129 Cb 0.53 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 2fe0 h LYS 129 CO 0.02 0.23 0.75 0.34 -2.27 0.00 0.00 179.45 178.52 2fe0 s ASP 130 N -5.22 6.97 0.00 4.20 2.15 -1.15 -5.08 116.67 118.54 2fe0 s ASP 130 Ca -0.12 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.02 2fe0 s ASP 130 Cb 0.24 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 2fe0 s ASP 130 CO 0.77 -0.73 0.00 2.29 -0.17 0.00 0.00 175.17 177.33