#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 n GLY 2 N 0.00 1.43 5.00 3.03 0.00 -1.26 -5.01 105.19 108.38 2fe0 n GLY 2 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n GLY 4 N 0.00 0.72 3.28 0.00 0.00 -1.26 -5.03 105.19 102.90 2fe0 n GLY 4 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 s ALA 5 N -2.18 -0.84 0.26 4.61 0.00 -1.26 -5.16 121.76 117.19 2fe0 s ALA 5 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 2fe0 s ALA 5 Cb 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.34 2fe0 s ALA 5 CO 0.00 -0.42 0.79 0.45 0.00 0.00 0.00 175.76 176.58 2fe0 s SER 6 N -1.96 7.09 0.09 0.00 0.15 -1.26 -5.08 113.70 112.74 2fe0 s SER 6 Ca -0.06 1.51 -0.06 0.00 0.70 0.00 0.00 55.95 58.04 2fe0 s SER 6 Cb -0.01 -2.46 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2fe0 s SER 6 CO -0.02 -0.03 0.13 -0.94 1.20 0.00 0.00 173.24 173.58 2fe0 s SER 7 N -1.72 0.22 -0.62 5.45 1.04 -1.26 -4.97 113.70 111.84 2fe0 s SER 7 Ca 0.46 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.88 2fe0 s SER 7 Cb -0.16 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.30 2fe0 s SER 7 CO 0.21 -0.72 0.64 1.21 0.98 0.00 0.00 173.24 175.56 2fe0 n GLU 8 N -0.04 -1.78 -0.32 4.02 2.13 -1.26 -4.81 120.64 118.59 2fe0 n GLU 8 Ca -0.13 1.21 0.08 0.00 0.66 0.00 0.00 57.16 58.98 2fe0 n GLU 8 Cb 0.62 -2.62 0.28 0.00 0.27 0.00 0.00 31.44 30.00 2fe0 n GLU 8 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 2fe0 h ASN 9 N 1.04 0.84 -0.24 4.31 7.08 -2.04 -3.41 115.58 123.17 2fe0 h ASN 9 Ca -0.52 0.04 0.23 0.00 -3.08 0.00 0.00 56.30 52.96 2fe0 h ASN 9 Cb 1.36 -0.13 -0.19 0.00 -2.08 0.00 0.00 38.32 37.27 2fe0 h ASN 9 CO 0.29 0.46 0.04 -0.55 -2.08 0.00 0.00 177.43 175.58 2fe0 s SER 10 N -5.78 -0.37 0.13 6.14 0.15 -1.26 -5.13 113.70 107.58 2fe0 s SER 10 Ca -0.11 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2fe0 s SER 10 Cb 0.22 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 2fe0 s SER 10 CO 0.80 -0.07 0.00 -1.20 1.20 0.00 0.00 173.24 173.97 2fe0 n SER 11 N 5.18 0.00 -3.83 5.45 7.64 -1.26 -4.55 113.62 122.25 2fe0 n SER 11 Ca 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 2fe0 n SER 11 Cb 0.57 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.62 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2fe0 s VAL 12 N 0.00 -0.02 -0.06 0.44 1.01 -1.26 -4.95 120.40 115.56 2fe0 s VAL 12 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2fe0 s VAL 12 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 36.38 36.35 2fe0 s VAL 12 CO 0.00 0.03 -0.15 -0.89 0.00 0.00 0.00 175.10 174.10 2fe0 s THR 13 N 0.42 1.32 0.47 3.92 2.01 -1.26 -5.14 115.64 117.37 2fe0 s THR 13 Ca -0.03 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.44 2fe0 s THR 13 Cb -0.05 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.32 2fe0 s THR 13 CO -0.01 0.39 0.60 -0.31 -0.69 0.00 0.00 174.62 174.60 2fe0 s TYR 14 N 0.43 2.34 0.26 4.92 2.02 -1.26 -4.97 117.35 121.09 2fe0 s TYR 14 Ca -0.12 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2fe0 s TYR 14 Cb -0.15 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 2fe0 s TYR 14 CO 0.04 -0.59 0.00 1.55 -1.57 0.00 0.00 175.55 174.98 2fe0 n VAL 15 N -1.92 0.04 0.25 0.71 3.14 -1.26 -4.86 118.33 114.43 2fe0 n VAL 15 Ca 0.09 0.01 0.11 0.00 -2.96 0.00 0.00 64.34 61.59 2fe0 n VAL 15 Cb 0.60 -0.53 0.66 0.00 -1.06 0.00 0.00 33.84 33.51 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2fe0 h ASN 16 N 0.00 0.00 0.00 6.55 2.35 -1.97 -3.46 115.58 119.04 2fe0 h ASN 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fe0 h ASN 16 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fe0 h ASN 16 CO 0.00 0.14 0.00 0.61 -1.65 0.00 0.00 177.43 176.53 2fe0 n GLY 17 N -0.77 2.48 3.87 2.83 0.00 -1.26 -4.99 105.19 107.35 2fe0 n GLY 17 Ca -0.02 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 3.85 0.26 1.61 1.81 -1.26 -4.82 118.95 118.40 2fe0 s ARG 18 Ca 0.00 0.35 -0.29 0.00 -1.72 0.00 0.00 55.73 54.07 2fe0 s ARG 18 Cb 0.00 -2.65 -0.10 0.00 -0.45 0.00 0.00 34.95 31.75 2fe0 s ARG 18 CO 0.00 0.32 1.28 -1.25 -0.68 0.00 0.00 175.30 174.97 2fe0 s PRO 19 N -2.73 4.41 0.00 3.54 0.04 -1.26 -4.91 135.00 134.09 2fe0 s PRO 19 Ca 0.47 2.09 0.27 0.00 0.04 0.00 0.00 61.00 63.88 2fe0 s PRO 19 Cb -0.12 -3.14 1.63 0.00 0.04 0.00 0.00 34.50 32.91 2fe0 s PRO 19 CO 0.20 -0.17 2.01 0.25 0.04 0.00 0.00 177.00 179.34 2fe0 n THR 20 N 1.71 0.00 -4.45 1.26 -2.24 -1.26 -4.72 114.28 104.58 2fe0 n THR 20 Ca 0.03 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 2fe0 n THR 20 Cb 0.43 -0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.00 0.95 -0.04 4.78 5.36 -1.26 -5.12 117.98 120.65 2fe0 s PHE 21 Ca 0.41 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.19 2fe0 s PHE 21 Cb 0.19 -0.63 0.03 0.00 -0.34 0.00 0.00 43.02 42.27 2fe0 s PHE 21 CO 0.32 -0.03 -0.01 0.08 -1.46 0.00 0.00 175.22 174.11 2fe0 s VAL 22 N -0.16 0.31 0.00 3.12 1.01 -1.26 -5.04 120.40 118.38 2fe0 s VAL 22 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2fe0 s VAL 22 Cb -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2fe0 s VAL 22 CO -0.00 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2fe0 n GLY 23 N 4.44 0.65 2.01 4.51 0.00 -1.26 -4.91 105.19 110.63 2fe0 n GLY 23 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2fe0 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fe0 n GLU 24 N 0.00 0.00 -3.39 1.61 4.07 0.42 -4.79 120.64 118.56 2fe0 n GLU 24 Ca 0.00 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.72 2fe0 n GLU 24 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2fe0 s GLU 25 N -2.00 4.24 -0.06 5.31 2.56 -0.76 -4.95 118.70 123.03 2fe0 s GLU 25 Ca 0.00 0.26 0.05 0.00 0.00 0.00 0.00 54.97 55.29 2fe0 s GLU 25 Cb 0.00 -3.49 -0.01 0.00 2.00 0.00 0.00 34.13 32.63 2fe0 s GLU 25 CO 0.00 0.06 -0.22 0.08 -0.56 0.00 0.00 175.26 174.62 2fe0 s VAL 26 N 0.99 1.83 0.08 3.70 1.01 -1.26 -1.82 120.40 124.92 2fe0 s VAL 26 Ca 0.21 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2fe0 s VAL 26 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2fe0 s VAL 26 CO 0.08 0.51 0.20 -0.89 0.00 0.00 0.00 175.10 175.00 2fe0 s THR 27 N -0.00 0.13 -0.16 3.92 2.01 -0.78 -4.96 115.64 115.80 2fe0 s THR 27 Ca -0.06 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 60.79 2fe0 s THR 27 Cb -0.14 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2fe0 s THR 27 CO 0.04 -0.60 0.05 -1.59 -0.69 0.00 0.00 174.62 171.83 2fe0 s LYS 28 N -3.50 3.75 -0.00 4.92 -2.85 -1.26 0.22 119.74 121.02 2fe0 s LYS 28 Ca 0.02 -0.35 -0.10 0.00 -1.00 0.00 0.00 55.97 54.54 2fe0 s LYS 28 Cb 0.03 -3.12 -0.05 0.00 -2.06 0.00 0.00 37.83 32.63 2fe0 s LYS 28 CO -0.09 0.38 0.73 0.78 0.10 0.00 0.00 175.35 177.25 2fe0 h GLY 29 N 6.31 -0.37 -4.25 0.59 0.00 -1.68 -3.44 103.07 100.23 2fe0 h GLY 29 Ca -0.40 0.14 -0.53 0.00 0.00 0.00 0.00 47.33 46.54 2fe0 h GLY 29 CO 0.66 -0.13 0.38 -1.36 0.00 0.00 0.00 176.54 176.09 2fe0 s PHE 30 N -3.03 3.72 -0.37 5.60 0.40 -1.26 -4.94 117.98 118.09 2fe0 s PHE 30 Ca -0.05 1.72 -0.04 0.00 -0.60 0.00 0.00 56.93 57.96 2fe0 s PHE 30 Cb 0.01 -3.11 0.01 0.00 0.51 0.00 0.00 43.02 40.43 2fe0 s PHE 30 CO 0.15 -0.01 2.91 -1.91 0.70 0.00 0.00 175.22 177.06 2fe0 n GLU 31 N 3.30 2.31 -3.76 0.44 2.13 -1.26 -4.72 120.64 119.09 2fe0 n GLU 31 Ca 0.04 -2.08 -0.13 0.00 0.66 0.00 0.00 57.16 55.65 2fe0 n GLU 31 Cb 0.50 -2.10 -0.10 0.00 0.27 0.00 0.00 31.44 30.00 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2fe0 s LYS 32 N -1.23 0.50 1.48 5.31 2.47 -1.26 -5.10 119.74 121.91 2fe0 s LYS 32 Ca 0.60 0.24 0.00 0.00 -1.56 0.00 0.00 55.97 55.24 2fe0 s LYS 32 Cb 0.37 0.23 0.00 0.00 -1.46 0.00 0.00 37.83 36.97 2fe0 s LYS 32 CO -0.18 -0.10 0.00 -0.25 0.16 0.00 0.00 175.35 174.98 2fe0 n ASP 33 N 2.30 -3.39 -0.21 1.43 8.00 -1.26 -3.48 116.55 119.94 2fe0 n ASP 33 Ca -0.16 0.04 0.27 0.00 0.71 0.00 0.00 54.79 55.65 2fe0 n ASP 33 Cb 0.57 -0.12 0.66 0.00 -0.02 0.00 0.00 41.12 42.21 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2fe0 h ASN 34 N -0.04 0.12 0.00 -2.24 2.35 -1.96 -3.43 115.58 110.38 2fe0 h ASN 34 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2fe0 h ASN 34 Cb 0.04 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2fe0 h ASN 34 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 2fe0 n GLY 35 N -1.66 0.54 5.03 2.83 0.00 -1.23 -4.93 105.19 105.77 2fe0 n GLY 35 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.23 0.99 4.77 -1.26 -4.31 117.00 112.96 2fe0 n LEU 36 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2fe0 n LEU 36 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2fe0 n LEU 36 CO 0.00 0.00 -0.54 -0.22 -1.33 0.00 0.00 177.39 175.30 2fe0 s LEU 37 N 0.00 2.17 -0.20 2.23 2.96 -1.26 -2.39 118.68 122.19 2fe0 s LEU 37 Ca 0.00 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 2fe0 s LEU 37 Cb 0.00 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 2fe0 s LEU 37 CO 0.00 0.14 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.80 2fe0 s PHE 38 N 0.44 3.02 -0.30 5.38 0.40 -1.23 -2.27 117.98 123.41 2fe0 s PHE 38 Ca -0.16 -0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 55.36 2fe0 s PHE 38 Cb -0.17 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.29 2fe0 s PHE 38 CO 0.07 -0.28 1.05 0.50 0.70 0.00 0.00 175.22 177.26 2fe0 s ARG 39 N 1.04 4.11 -0.18 0.44 3.52 0.58 -3.56 118.95 124.89 2fe0 s ARG 39 Ca 0.02 1.12 -0.07 0.00 -0.13 0.00 0.00 55.73 56.67 2fe0 s ARG 39 Cb -0.14 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 2fe0 s ARG 39 CO 0.01 -0.82 0.04 0.42 -0.81 0.00 0.00 175.30 174.15 2fe0 s ILE 40 N 3.50 4.56 -0.05 4.11 1.01 0.24 -1.87 121.20 132.70 2fe0 s ILE 40 Ca 0.44 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.99 2fe0 s ILE 40 Cb -0.13 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.31 2fe0 s ILE 40 CO 0.13 0.45 -0.06 -0.69 0.00 0.00 0.00 174.94 174.77 2fe0 s VAL 41 N 0.50 0.68 -0.44 2.92 1.01 -0.75 -0.02 120.40 124.30 2fe0 s VAL 41 Ca 0.02 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 2fe0 s VAL 41 Cb -0.13 -0.68 0.10 0.00 0.00 0.00 0.00 36.38 35.66 2fe0 s VAL 41 CO 0.01 0.26 0.29 0.21 0.00 0.00 0.00 175.10 175.88 2fe0 s ASN 42 N 0.91 5.64 0.50 3.32 3.04 -1.10 0.16 114.94 127.41 2fe0 s ASN 42 Ca -0.11 -1.71 0.22 0.00 0.04 0.00 0.00 52.86 51.30 2fe0 s ASN 42 Cb -0.15 -1.99 1.28 0.00 -1.54 0.00 0.00 41.25 38.85 2fe0 s ASN 42 CO 0.01 -0.61 1.98 0.11 -3.04 0.00 0.00 177.10 175.54 2fe0 h LYS 43 N 8.41 0.14 0.01 0.43 1.57 -1.90 2.96 116.57 128.19 2fe0 h LYS 43 Ca -0.22 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2fe0 h LYS 43 Cb 1.08 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2fe0 h LYS 43 CO 0.80 0.09 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.54 2fe0 h LYS 44 N 0.14 -0.02 -0.01 3.15 3.64 -1.95 -3.13 116.57 118.39 2fe0 h LYS 44 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2fe0 h LYS 44 Cb 0.93 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2fe0 h LYS 44 CO -0.04 -0.02 -0.21 1.63 -2.27 0.00 0.00 179.45 178.55 2fe0 n LYS 45 N -2.28 0.69 -2.66 1.90 5.02 -1.08 -4.92 118.16 114.83 2fe0 n LYS 45 Ca -0.00 -0.33 -0.19 0.00 -2.02 0.00 0.00 58.31 55.77 2fe0 n LYS 45 Cb 0.01 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.87 -2.74 -3.87 1.97 4.76 0.99 -4.40 118.16 114.00 2fe0 n LYS 46 Ca 0.12 0.79 -0.35 0.00 -2.87 0.00 0.00 58.31 56.00 2fe0 n LYS 46 Cb 0.32 -5.48 -0.10 0.00 -1.84 0.00 0.00 35.03 27.94 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 -5.30 4.01 0.43 1.97 -2.07 -1.15 -1.73 119.66 115.82 2fe0 s GLN 47 Ca 0.11 -0.31 -0.14 0.00 -1.82 0.00 0.00 55.36 53.20 2fe0 s GLN 47 Cb -0.05 -3.32 -0.08 0.00 -1.09 0.00 0.00 33.01 28.46 2fe0 s GLN 47 CO 0.14 0.20 0.85 -1.58 -1.32 0.00 0.00 175.29 173.58 2fe0 s TRP 48 N 0.59 3.43 -0.09 9.60 0.52 0.14 -2.70 118.94 130.43 2fe0 s TRP 48 Ca 0.05 1.26 -0.14 0.00 0.02 0.00 0.00 56.10 57.29 2fe0 s TRP 48 Cb -0.13 -2.60 0.03 0.00 -1.15 0.00 0.00 33.47 29.62 2fe0 s TRP 48 CO 0.01 -0.15 0.35 0.00 0.02 0.00 0.00 176.95 177.18 2fe0 s ALA 49 N -2.36 -0.87 -0.03 0.98 0.00 0.97 -2.30 121.76 118.15 2fe0 s ALA 49 Ca 0.55 0.77 0.07 0.00 0.00 0.00 0.00 51.96 53.35 2fe0 s ALA 49 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2fe0 s ALA 49 CO 0.27 -0.21 -0.23 0.71 0.00 0.00 0.00 175.76 176.31 2fe0 s TYR 50 N -0.40 2.08 -0.13 0.00 2.02 -1.22 -0.60 117.35 119.10 2fe0 s TYR 50 Ca -0.05 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 2fe0 s TYR 50 Cb -0.03 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 2fe0 s TYR 50 CO 0.02 -0.09 -0.19 -0.47 -1.57 0.00 0.00 175.55 173.26 2fe0 s TYR 51 N -0.39 2.39 -0.17 2.71 5.04 -1.23 -3.73 117.35 121.95 2fe0 s TYR 51 Ca 0.05 -1.21 -0.21 0.00 -2.44 0.00 0.00 57.07 53.25 2fe0 s TYR 51 Cb -0.10 -1.67 -0.03 0.00 0.35 0.00 0.00 41.96 40.52 2fe0 s TYR 51 CO 0.00 -0.59 0.64 1.21 -1.34 0.00 0.00 175.55 175.47 2fe0 s ASN 52 N 0.98 6.74 -0.25 4.32 3.84 -1.25 -3.57 114.94 125.75 2fe0 s ASN 52 Ca -0.05 0.89 -0.13 0.00 0.21 0.00 0.00 52.86 53.79 2fe0 s ASN 52 Cb -0.15 -2.36 -0.16 0.00 -0.55 0.00 0.00 41.25 38.04 2fe0 s ASN 52 CO -0.04 -0.24 -0.14 -0.67 -2.79 0.00 0.00 177.10 173.23 2fe0 n ASP 53 N 4.78 1.95 -4.71 -4.21 2.03 -1.01 -3.72 116.55 111.67 2fe0 n ASP 53 Ca -0.02 0.27 -0.43 0.00 0.52 0.00 0.00 54.79 55.13 2fe0 n ASP 53 Cb 0.50 -0.79 -0.02 0.00 -0.72 0.00 0.00 41.12 40.09 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2fe0 n THR 54 N -4.07 1.18 -0.46 5.18 -2.24 -1.26 -4.67 114.28 107.94 2fe0 n THR 54 Ca -0.46 -0.30 0.09 0.00 -2.27 0.00 0.00 64.05 61.11 2fe0 n THR 54 Cb 0.87 -1.70 0.28 0.00 -2.10 0.00 0.00 70.33 67.68 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 1.69 1.41 0.00 4.28 -2.24 -1.26 -4.26 114.28 113.90 2fe0 n THR 55 Ca 0.09 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2fe0 n THR 55 Cb 0.34 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2fe0 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fe0 n GLN 56 N 0.93 3.88 -4.63 -0.78 0.00 -1.26 -5.03 117.38 110.49 2fe0 n GLN 56 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 57.00 56.98 2fe0 n GLN 56 Cb 0.68 -0.42 -0.15 0.00 0.00 0.00 0.00 30.24 30.35 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2fe0 s TYR 57 N -0.76 1.29 0.02 2.61 2.02 -1.26 -3.41 117.35 117.85 2fe0 s TYR 57 Ca 0.00 -0.29 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 2fe0 s TYR 57 Cb 0.00 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.65 2fe0 s TYR 57 CO 0.00 -0.07 0.48 -1.83 -1.57 0.00 0.00 175.55 172.56 2fe0 s GLU 58 N -0.15 4.07 -0.21 -0.62 -1.05 0.15 -4.67 118.70 116.21 2fe0 s GLU 58 Ca 0.02 0.54 -0.19 0.00 -0.15 0.00 0.00 54.97 55.20 2fe0 s GLU 58 Cb -0.07 -3.25 -0.03 0.00 -0.44 0.00 0.00 34.13 30.34 2fe0 s GLU 58 CO 0.00 0.61 0.54 -1.64 0.95 0.00 0.00 175.26 175.72 2fe0 s MET 59 N -0.90 4.16 -0.21 -4.83 -1.94 -1.09 -2.78 119.30 111.71 2fe0 s MET 59 Ca 0.26 0.42 -0.05 0.00 -1.71 0.00 0.00 55.69 54.62 2fe0 s MET 59 Cb -0.18 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.06 2fe0 s MET 59 CO 0.15 -0.21 -0.01 -1.01 -0.01 0.00 0.00 175.02 173.93 2fe0 s HIS 60 N 1.85 3.00 -0.18 -0.03 3.76 -1.23 -1.44 115.29 121.02 2fe0 s HIS 60 Ca 0.24 -0.62 -0.06 0.00 -0.15 0.00 0.00 55.06 54.47 2fe0 s HIS 60 Cb -0.15 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 2fe0 s HIS 60 CO 0.09 -0.35 0.04 0.08 -0.85 0.00 0.00 174.74 173.75 2fe0 s VAL 61 N 1.18 4.55 -0.34 -0.90 1.01 -0.89 -3.46 120.40 121.56 2fe0 s VAL 61 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2fe0 s VAL 61 Cb -0.15 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.33 2fe0 s VAL 61 CO 0.01 0.47 0.23 -0.22 0.00 0.00 0.00 175.10 175.59 2fe0 s LEU 62 N 0.37 0.60 -0.13 3.92 2.96 -0.82 -2.37 118.68 123.20 2fe0 s LEU 62 Ca 0.01 -1.79 -0.00 0.00 -0.22 0.00 0.00 54.13 52.13 2fe0 s LEU 62 Cb -0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 2fe0 s LEU 62 CO 0.01 -0.33 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.90 2fe0 s VAL 63 N 1.44 3.18 -0.13 1.68 1.01 -1.17 -1.08 120.40 125.32 2fe0 s VAL 63 Ca 0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2fe0 s VAL 63 Cb -0.19 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2fe0 s VAL 63 CO -0.10 0.53 -0.02 -0.89 0.00 0.00 0.00 175.10 174.62 2fe0 s THR 64 N 0.24 4.10 0.26 3.92 2.01 0.14 -2.64 115.64 123.66 2fe0 s THR 64 Ca -0.08 -0.30 0.11 0.00 0.31 0.00 0.00 61.69 61.73 2fe0 s THR 64 Cb -0.15 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 2fe0 s THR 64 CO 0.05 0.54 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.04 2fe0 s PHE 65 N -0.15 2.47 0.58 4.92 0.40 0.12 0.36 117.98 126.67 2fe0 s PHE 65 Ca 0.04 -0.28 -0.13 0.00 -0.60 0.00 0.00 56.93 55.95 2fe0 s PHE 65 Cb -0.13 -1.10 -0.06 0.00 0.51 0.00 0.00 43.02 42.25 2fe0 s PHE 65 CO 0.02 0.66 1.01 1.21 0.70 0.00 0.00 175.22 178.82 2fe0 s ASN 66 N -3.49 6.40 0.20 1.36 2.47 -0.95 0.17 114.94 121.09 2fe0 s ASN 66 Ca 0.30 1.48 -0.16 0.00 0.42 0.00 0.00 52.86 54.90 2fe0 s ASN 66 Cb -0.06 -2.49 0.19 0.00 -1.45 0.00 0.00 41.25 37.44 2fe0 s ASN 66 CO 0.17 -0.75 1.62 -0.08 -3.72 0.00 0.00 177.10 174.34 2fe0 h GLU 67 N 0.21 -0.05 -4.99 0.43 4.81 -1.68 -3.06 114.58 110.24 2fe0 h GLU 67 Ca -0.45 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.18 2fe0 h GLU 67 Cb 1.19 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 2fe0 h GLU 67 CO 0.62 -0.04 2.18 -3.47 -0.73 0.00 0.00 179.01 177.57 2fe0 n ASP 68 N -5.42 3.67 -3.42 1.04 2.03 -1.26 -4.78 116.55 108.40 2fe0 n ASP 68 Ca 0.06 -2.79 -0.05 0.00 0.52 0.00 0.00 54.79 52.53 2fe0 n ASP 68 Cb 0.33 -1.58 -0.06 0.00 -0.72 0.00 0.00 41.12 39.09 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fe0 s ASP 70 N 2.67 6.59 0.25 0.00 2.15 -1.15 -4.92 116.67 122.25 2fe0 s ASP 70 Ca 0.09 -2.34 0.11 0.00 0.43 0.00 0.00 52.55 50.84 2fe0 s ASP 70 Cb -0.14 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 2fe0 s ASP 70 CO -0.17 -1.44 -0.20 0.27 -0.17 0.00 0.00 175.17 173.47 2fe0 s ILE 71 N 5.19 2.31 0.22 4.11 -4.36 -1.24 0.19 121.20 127.62 2fe0 s ILE 71 Ca 0.56 -2.30 0.03 0.00 -0.26 0.00 0.00 60.65 58.68 2fe0 s ILE 71 Cb 0.03 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2fe0 s ILE 71 CO 0.09 -0.39 0.01 -0.75 0.24 0.00 0.00 174.94 174.14 2fe0 s LYS 72 N -3.38 1.31 -0.13 0.37 2.20 0.79 -4.92 119.74 115.98 2fe0 s LYS 72 Ca 0.27 -1.66 -0.05 0.00 -0.36 0.00 0.00 55.97 54.17 2fe0 s LYS 72 Cb -0.05 -0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.70 2fe0 s LYS 72 CO 0.13 -0.12 0.06 0.00 -0.36 0.00 0.00 175.35 175.06 2fe0 s ALA 73 N -3.48 3.49 0.48 3.13 0.00 -1.26 -1.32 121.76 122.80 2fe0 s ALA 73 Ca 0.28 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.57 2fe0 s ALA 73 Cb 0.06 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 2fe0 s ALA 73 CO 0.08 0.46 0.27 -0.51 0.00 0.00 0.00 175.76 176.07 2fe0 s LEU 74 N -0.51 2.89 0.00 0.00 1.43 0.18 -4.90 118.68 117.78 2fe0 s LEU 74 Ca 0.10 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 2fe0 s LEU 74 Cb -0.12 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2fe0 s LEU 74 CO 0.02 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.39 2fe0 n GLY 75 N -1.49 1.44 0.69 -3.19 0.00 -1.26 -1.01 105.19 100.36 2fe0 n GLY 75 Ca -0.03 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 14.00 1.91 -1.65 1.61 -0.00 -1.26 -4.95 118.16 127.82 2fe0 n LYS 76 Ca 0.00 -1.37 -0.55 0.00 -0.00 0.00 0.00 58.31 56.39 2fe0 n LYS 76 Cb 0.00 -1.43 -0.07 0.00 -0.00 0.00 0.00 35.03 33.53 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2fe0 n THR 77 N 0.60 0.17 -2.87 0.58 -1.04 -0.18 -4.89 114.28 106.65 2fe0 n THR 77 Ca 0.17 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.74 2fe0 n THR 77 Cb 0.40 -1.06 -0.04 0.00 -1.82 0.00 0.00 70.33 67.82 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 2.13 4.39 -0.11 -2.82 2.20 -1.20 -4.61 119.74 119.73 2fe0 s LYS 78 Ca 0.92 1.10 0.03 0.00 -0.36 0.00 0.00 55.97 57.66 2fe0 s LYS 78 Cb -1.01 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 31.80 2fe0 s LYS 78 CO 0.56 -0.18 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.01 2fe0 s LEU 79 N 1.60 1.94 0.03 5.43 2.96 -1.26 -3.26 118.68 126.13 2fe0 s LEU 79 Ca 0.42 -0.50 -0.14 0.00 -0.22 0.00 0.00 54.13 53.69 2fe0 s LEU 79 Cb -0.18 -1.25 0.02 0.00 0.50 0.00 0.00 46.19 45.28 2fe0 s LEU 79 CO 0.17 0.09 0.30 -1.83 -1.32 0.00 0.00 176.35 173.76 2fe0 s GLU 80 N 0.64 0.78 0.09 1.98 -1.05 -1.07 -5.01 118.70 115.06 2fe0 s GLU 80 Ca -0.13 -0.45 0.04 0.00 -0.15 0.00 0.00 54.97 54.28 2fe0 s GLU 80 Cb -0.16 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 2fe0 s GLU 80 CO 0.03 -0.24 0.03 -1.14 0.95 0.00 0.00 175.26 174.89 2fe0 s GLN 81 N -2.32 2.66 0.42 -4.83 0.74 -1.26 -1.61 119.66 113.45 2fe0 s GLN 81 Ca -0.07 -0.79 0.08 0.00 0.05 0.00 0.00 55.36 54.63 2fe0 s GLN 81 Cb -0.02 -2.60 0.01 0.00 1.10 0.00 0.00 33.01 31.50 2fe0 s GLN 81 CO -0.02 0.55 0.56 -0.65 -0.55 0.00 0.00 175.29 175.17 2fe0 s GLN 82 N -2.35 2.79 0.29 1.67 -1.52 -0.30 -4.95 119.66 115.29 2fe0 s GLN 82 Ca 0.27 -1.28 0.06 0.00 -1.95 0.00 0.00 55.36 52.46 2fe0 s GLN 82 Cb -0.12 -2.72 0.45 0.00 -0.22 0.00 0.00 33.01 30.40 2fe0 s GLN 82 CO 0.20 -0.28 1.70 1.05 -0.25 0.00 0.00 175.29 177.71 2fe0 h GLU 83 N 0.67 0.29 0.00 2.91 4.11 -2.00 -2.52 114.58 118.03 2fe0 h GLU 83 Ca -0.40 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 58.88 2fe0 h GLU 83 Cb 1.28 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2fe0 h GLU 83 CO 0.46 0.63 -0.07 -2.95 0.07 0.00 0.00 179.01 177.15 2fe0 h ASN 84 N 0.25 0.00 0.00 3.06 -0.00 -2.05 -3.46 115.58 113.37 2fe0 h ASN 84 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 2fe0 h ASN 84 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.11 2fe0 h ASN 84 CO 0.06 0.07 0.00 0.61 -0.00 0.00 0.00 177.43 178.17 2fe0 n GLY 85 N -0.91 0.78 3.08 9.14 0.00 -0.95 -5.02 105.19 111.31 2fe0 n GLY 85 Ca -0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.10 0.44 -0.09 1.61 2.02 -1.26 -1.75 118.70 118.57 2fe0 s GLU 86 Ca 0.00 -0.43 -0.04 0.00 0.02 0.00 0.00 54.97 54.52 2fe0 s GLU 86 Cb 0.00 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.37 2fe0 s GLU 86 CO 0.00 -0.10 0.07 -1.58 0.02 0.00 0.00 175.26 173.67 2fe0 s TRP 87 N -1.36 3.36 -0.04 1.61 0.52 0.13 -1.15 118.94 122.00 2fe0 s TRP 87 Ca -0.15 0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.34 2fe0 s TRP 87 Cb -0.08 -1.84 -0.00 0.00 -1.15 0.00 0.00 33.47 30.39 2fe0 s TRP 87 CO 0.01 0.59 -0.15 0.08 0.02 0.00 0.00 176.95 177.50 2fe0 s VAL 88 N -0.98 1.23 -0.13 4.03 1.01 -0.63 0.11 120.40 125.04 2fe0 s VAL 88 Ca 0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2fe0 s VAL 88 Cb -0.12 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.25 2fe0 s VAL 88 CO 0.04 0.36 0.08 0.00 0.00 0.00 0.00 175.10 175.58 2fe0 s ALA 89 N 0.05 0.39 0.05 5.51 0.00 -1.08 -2.59 121.76 124.09 2fe0 s ALA 89 Ca -0.03 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.86 2fe0 s ALA 89 Cb -0.10 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2fe0 s ALA 89 CO 0.01 -0.94 -0.24 -1.54 0.00 0.00 0.00 175.76 173.06 2fe0 s SER 90 N 2.13 2.92 -0.27 0.00 1.04 -1.20 -3.05 113.70 115.27 2fe0 s SER 90 Ca 0.03 -0.57 -0.24 0.00 0.48 0.00 0.00 55.95 55.64 2fe0 s SER 90 Cb -0.15 -0.25 0.09 0.00 0.10 0.00 0.00 66.02 65.81 2fe0 s SER 90 CO -0.07 0.22 0.83 0.54 0.98 0.00 0.00 173.24 175.74 2fe0 s VAL 91 N -0.82 0.00 -0.14 5.02 0.11 -1.00 -3.25 120.40 120.32 2fe0 s VAL 91 Ca 0.10 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.09 2fe0 s VAL 91 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2fe0 s VAL 91 CO 0.02 0.00 0.09 -0.69 -3.33 0.00 0.00 175.10 171.19 2fe0 s VAL 92 N 0.41 5.07 -0.12 2.04 1.01 -1.26 -2.10 120.40 125.44 2fe0 s VAL 92 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2fe0 s VAL 92 Cb -0.05 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2fe0 s VAL 92 CO -0.03 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 2fe0 s VAL 93 N -0.39 2.84 0.22 2.92 1.01 -0.52 -5.01 120.40 121.47 2fe0 s VAL 93 Ca 0.10 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 2fe0 s VAL 93 Cb -0.12 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 2fe0 s VAL 93 CO 0.02 0.53 0.48 -0.31 0.00 0.00 0.00 175.10 175.82 2fe0 s TYR 94 N 0.33 3.46 0.91 5.22 2.02 -1.26 -2.68 117.35 125.36 2fe0 s TYR 94 Ca -0.12 0.65 -0.12 0.00 -0.37 0.00 0.00 57.07 57.10 2fe0 s TYR 94 Cb -0.16 -2.09 0.08 0.00 -0.40 0.00 0.00 41.96 39.39 2fe0 s TYR 94 CO 0.06 0.30 0.79 -2.30 -1.57 0.00 0.00 175.55 172.82 2fe0 n PRO 95 N -0.40 -0.29 -2.26 -1.71 -0.02 -1.26 -2.64 135.00 126.41 2fe0 n PRO 95 Ca -0.02 -0.03 -0.14 0.00 -2.02 0.00 0.00 63.50 61.29 2fe0 n PRO 95 Cb 0.53 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 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 -4.73 0.95 -0.02 0.00 2.12 -1.08 -5.13 118.70 110.81 2fe0 s GLU 97 Ca 0.00 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 54.90 2fe0 s GLU 97 Cb 0.00 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.82 2fe0 s GLU 97 CO 0.00 -0.34 -0.06 0.99 -0.54 0.00 0.00 175.26 175.32 2fe0 s THR 98 N -2.79 0.53 0.13 -1.70 2.01 -1.26 -3.94 115.64 108.62 2fe0 s THR 98 Ca -0.03 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.81 2fe0 s THR 98 Cb -0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 2fe0 s THR 98 CO -0.05 0.18 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.32 2fe0 s GLU 99 N 0.33 1.06 0.48 4.92 2.02 -1.24 -5.04 118.70 121.22 2fe0 s GLU 99 Ca -0.04 -1.30 -0.13 0.00 0.02 0.00 0.00 54.97 53.52 2fe0 s GLU 99 Cb -0.08 -0.88 -0.07 0.00 0.10 0.00 0.00 34.13 33.20 2fe0 s GLU 99 CO -0.00 0.16 0.89 -1.64 0.02 0.00 0.00 175.26 174.69 2fe0 s MET 100 N -2.92 3.81 0.00 1.61 -1.94 -1.26 -3.45 119.30 115.15 2fe0 s MET 100 Ca 0.11 0.68 0.00 0.00 -1.71 0.00 0.00 55.69 54.77 2fe0 s MET 100 Cb -0.03 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.55 2fe0 s MET 100 CO 0.03 -0.20 0.00 0.34 -0.01 0.00 0.00 175.02 175.18 2fe0 n PHE 101 N -1.64 0.00 -4.50 -0.03 7.35 -0.97 -4.42 117.46 113.25 2fe0 n PHE 101 Ca 0.04 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.49 2fe0 n PHE 101 Cb 0.54 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.27 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 1.38 2.21 0.03 -2.13 -5.25 -1.26 0.50 121.20 116.69 2fe0 s ILE 102 Ca 0.00 -2.26 -0.03 0.00 -0.99 0.00 0.00 60.65 57.37 2fe0 s ILE 102 Cb 0.00 -2.49 -0.02 0.00 2.95 0.00 0.00 42.46 42.90 2fe0 s ILE 102 CO 0.00 -0.29 0.03 -0.70 -1.79 0.00 0.00 174.94 172.19 2fe0 s GLU 103 N -3.60 0.51 0.00 0.37 2.12 -0.43 0.28 118.70 117.95 2fe0 s GLU 103 Ca 0.31 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2fe0 s GLU 103 Cb 0.00 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.58 2fe0 s GLU 103 CO 0.15 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 2fe0 n GLY 104 N 0.86 0.37 3.82 -1.50 0.00 -0.71 0.28 105.19 108.31 2fe0 n GLY 104 Ca -0.19 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.20 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 0.00 3.92 -0.15 1.61 3.52 0.51 -4.84 118.95 123.52 2fe0 s ARG 105 Ca 0.00 0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.88 2fe0 s ARG 105 Cb 0.00 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 2fe0 s ARG 105 CO 0.00 0.62 -0.05 0.08 -0.81 0.00 0.00 175.30 175.14 2fe0 s VAL 106 N -0.78 3.81 -0.07 7.11 1.01 -1.26 -2.94 120.40 127.27 2fe0 s VAL 106 Ca 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2fe0 s VAL 106 Cb -0.16 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2fe0 s VAL 106 CO 0.11 0.50 -0.01 0.21 0.00 0.00 0.00 175.10 175.92 2fe0 s ASN 107 N 0.27 1.54 -0.05 3.32 2.47 -1.26 -4.99 114.94 116.24 2fe0 s ASN 107 Ca -0.04 -0.10 -0.02 0.00 0.42 0.00 0.00 52.86 53.12 2fe0 s ASN 107 Cb -0.14 -0.46 0.01 0.00 -1.45 0.00 0.00 41.25 39.21 2fe0 s ASN 107 CO 0.03 -0.18 0.05 0.61 -3.72 0.00 0.00 177.10 173.89 2fe0 n GLY 108 N 5.03 -1.23 3.17 1.21 0.00 -1.26 -3.78 105.19 108.34 2fe0 n GLY 108 Ca -0.09 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.39 0.17 -0.07 1.61 -0.71 -1.26 -2.25 117.98 115.08 2fe0 s PHE 109 Ca -0.06 -0.54 0.04 0.00 -1.04 0.00 0.00 56.93 55.34 2fe0 s PHE 109 Cb 0.00 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.70 2fe0 s PHE 109 CO 0.19 -0.47 -0.19 0.15 -1.34 0.00 0.00 175.22 173.56 2fe0 s LYS 110 N -3.34 2.72 -0.10 1.99 1.02 0.16 -4.96 119.74 117.23 2fe0 s LYS 110 Ca 0.01 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.21 2fe0 s LYS 110 Cb 0.03 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2fe0 s LYS 110 CO -0.08 0.42 -0.13 -1.12 -0.92 0.00 0.00 175.35 173.52 2fe0 s SER 111 N -0.22 4.06 -0.06 2.83 0.01 -1.26 0.23 113.70 119.29 2fe0 s SER 111 Ca -0.01 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 2fe0 s SER 111 Cb -0.13 -1.36 0.03 0.00 0.21 0.00 0.00 66.02 64.77 2fe0 s SER 111 CO 0.03 0.23 0.01 -0.75 0.41 0.00 0.00 173.24 173.17 2fe0 s LYS 112 N -0.03 0.47 0.27 12.44 2.20 -0.24 -5.00 119.74 129.85 2fe0 s LYS 112 Ca -0.03 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.78 2fe0 s LYS 112 Cb -0.14 -0.85 -0.06 0.00 -1.51 0.00 0.00 37.83 35.28 2fe0 s LYS 112 CO 0.04 -0.28 -0.04 -1.64 -0.36 0.00 0.00 175.35 173.07 2fe0 s MET 113 N 1.88 1.50 0.33 4.03 -1.94 -1.26 -1.95 119.30 121.89 2fe0 s MET 113 Ca 0.03 -1.76 -0.14 0.00 -1.71 0.00 0.00 55.69 52.10 2fe0 s MET 113 Cb -0.12 -1.00 0.03 0.00 2.01 0.00 0.00 34.83 35.74 2fe0 s MET 113 CO -0.04 -0.01 0.66 0.34 -0.01 0.00 0.00 175.02 175.96 2fe0 s ASP 114 N -3.41 0.09 -0.48 3.03 2.15 -1.22 -5.05 116.67 111.77 2fe0 s ASP 114 Ca 0.29 -1.04 0.03 0.00 0.43 0.00 0.00 52.55 52.27 2fe0 s ASP 114 Cb 0.05 0.74 0.14 0.00 -0.30 0.00 0.00 42.92 43.55 2fe0 s ASP 114 CO 0.11 -1.44 0.28 0.00 -0.17 0.00 0.00 175.17 173.96 2fe0 s ALA 115 N -3.15 2.46 0.28 3.66 0.00 -1.26 -3.56 121.76 120.18 2fe0 s ALA 115 Ca 0.18 -2.83 -0.09 0.00 0.00 0.00 0.00 51.96 49.23 2fe0 s ALA 115 Cb -0.04 -1.94 -0.07 0.00 0.00 0.00 0.00 23.12 21.08 2fe0 s ALA 115 CO 0.11 -2.05 0.60 -0.51 0.00 0.00 0.00 175.76 173.91 2fe0 s LEU 116 N 0.03 4.08 0.20 0.00 1.43 -1.12 -4.87 118.68 118.43 2fe0 s LEU 116 Ca 0.20 0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 2fe0 s LEU 116 Cb -0.20 -3.73 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 2fe0 s LEU 116 CO -0.03 -0.16 1.18 -2.16 0.23 0.00 0.00 176.35 175.41 2fe0 s PRO 117 N -3.16 4.51 -0.97 1.29 0.04 -1.26 0.30 135.00 135.75 2fe0 s PRO 117 Ca 0.48 1.87 -0.28 0.00 0.04 0.00 0.00 61.00 63.10 2fe0 s PRO 117 Cb -0.11 -3.23 -0.22 0.00 0.04 0.00 0.00 34.50 30.97 2fe0 s PRO 117 CO 0.24 -0.05 2.61 1.28 0.04 0.00 0.00 177.00 181.12 2fe0 n LEU 118 N 2.34 0.21 -4.51 -3.56 4.77 -1.22 -4.72 117.00 110.32 2fe0 n LEU 118 Ca 0.04 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 2fe0 n LEU 118 Cb 0.45 -0.92 0.25 0.00 -2.33 0.00 0.00 43.42 40.87 2fe0 n LEU 118 CO 0.56 -0.89 0.55 -0.44 -1.33 0.00 0.00 177.39 175.84 2fe0 s SER 119 N 8.09 0.40 0.53 -1.43 0.01 -1.26 -4.77 113.70 115.28 2fe0 s SER 119 Ca 1.33 0.76 0.24 0.00 1.31 0.00 0.00 55.95 59.59 2fe0 s SER 119 Cb -1.13 -1.09 1.39 0.00 0.21 0.00 0.00 66.02 65.41 2fe0 s SER 119 CO 0.48 -4.46 2.04 1.05 0.41 0.00 0.00 173.24 172.77 2fe0 h GLU 120 N -2.80 0.00 -0.55 12.44 4.11 -2.02 0.56 114.58 126.32 2fe0 h GLU 120 Ca -0.46 0.00 0.02 0.00 0.07 0.00 0.00 59.36 58.99 2fe0 h GLU 120 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2fe0 h GLU 120 CO 0.34 0.00 0.36 1.05 0.07 0.00 0.00 179.01 180.84 2fe0 h GLU 121 N 0.00 0.68 -0.77 1.06 4.11 -1.98 -1.80 114.58 115.87 2fe0 h GLU 121 Ca 0.18 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.58 2fe0 h GLU 121 Cb 0.74 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2fe0 h GLU 121 CO -0.00 0.45 0.51 -0.92 0.07 0.00 0.00 179.01 179.12 2fe0 h TYR 122 N 0.70 0.97 -0.87 2.06 3.20 -1.18 -0.33 116.97 121.52 2fe0 h TYR 122 Ca 0.21 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.11 2fe0 h TYR 122 Cb -0.01 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 37.88 2fe0 h TYR 122 CO -0.00 0.61 0.57 0.00 -1.64 0.00 0.00 178.16 177.70 2fe0 h ARG 123 N 1.05 1.13 -0.36 1.82 3.08 -1.39 -1.95 114.38 117.75 2fe0 h ARG 123 Ca 0.28 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 2fe0 h ARG 123 Cb -0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.66 2fe0 h ARG 123 CO -0.06 0.75 -0.24 0.37 -1.07 0.00 0.00 179.97 179.71 2fe0 h GLN 124 N 1.16 0.73 -0.56 0.04 5.75 -1.20 -2.74 115.11 118.30 2fe0 h GLN 124 Ca 0.32 -0.30 0.07 0.00 -0.15 0.00 0.00 58.65 58.60 2fe0 h GLN 124 Cb -0.12 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 2fe0 h GLN 124 CO -0.08 0.90 0.37 1.25 -2.65 0.00 0.00 178.83 178.62 2fe0 h HIS 125 N 0.63 0.48 -0.70 3.99 2.76 -0.32 -0.52 115.15 121.46 2fe0 h HIS 125 Ca 0.09 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2fe0 h HIS 125 Cb 0.74 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.50 2fe0 h HIS 125 CO 0.04 0.25 0.46 1.96 -1.30 0.00 0.00 177.93 179.34 2fe0 h GLN 126 N 0.47 0.84 -0.39 5.26 4.20 -1.14 -1.30 115.11 123.04 2fe0 h GLN 126 Ca 0.25 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 2fe0 h GLN 126 Cb 0.38 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2fe0 h GLN 126 CO -0.07 0.55 -0.13 0.00 -0.67 0.00 0.00 178.83 178.51 2fe0 h ALA 127 N 1.59 1.04 -0.31 3.87 0.00 -1.17 -2.64 119.26 121.63 2fe0 h ALA 127 Ca 0.28 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2fe0 h ALA 127 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2fe0 h ALA 127 CO -0.08 0.58 -0.07 0.93 0.00 0.00 0.00 179.25 180.61 2fe0 h GLU 128 N 0.64 0.51 -0.62 0.00 4.39 -1.13 -2.49 114.58 115.87 2fe0 h GLU 128 Ca 0.11 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2fe0 h GLU 128 Cb 0.59 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2fe0 h GLU 128 CO 0.04 0.59 0.33 0.87 -1.16 0.00 0.00 179.01 179.68 2fe0 h LYS 129 N 0.48 0.86 -2.70 2.33 1.57 -1.06 -3.45 116.57 114.60 2fe0 h LYS 129 Ca 0.10 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2fe0 h LYS 129 Cb 0.42 -0.17 -0.13 0.00 0.08 0.00 0.00 32.23 32.43 2fe0 h LYS 129 CO 0.02 0.64 0.33 0.16 -0.57 0.00 0.00 179.45 180.03 2fe0 s ASP 130 N -6.49 -0.48 0.00 0.86 1.47 -0.94 -5.14 116.67 105.96 2fe0 s ASP 130 Ca -0.10 -0.01 0.00 0.00 1.18 0.00 0.00 52.55 53.62 2fe0 s ASP 130 Cb 0.17 0.51 0.00 0.00 -0.34 0.00 0.00 42.92 43.26 2fe0 s ASP 130 CO 0.78 -0.83 0.00 1.17 0.68 0.00 0.00 175.17 176.97