#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 2.94 0.00 3.03 0.00 -1.26 -4.88 107.32 107.15 2fe0 s GLY 2 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2fe0 s GLY 2 CO 0.00 1.97 0.02 0.00 0.00 0.00 0.00 173.10 175.09 2fe0 n GLY 4 N 0.00 0.40 3.76 0.00 0.00 -1.26 -4.97 105.19 103.11 2fe0 n GLY 4 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.27 3.55 0.00 4.61 0.00 -1.26 -1.75 121.76 124.64 2fe0 s ALA 5 Ca 0.01 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2fe0 s ALA 5 Cb -0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2fe0 s ALA 5 CO 0.01 -0.71 0.00 0.45 0.00 0.00 0.00 175.76 175.51 2fe0 n SER 6 N 1.34 0.00 -0.21 0.00 2.88 -1.26 -4.60 113.62 111.77 2fe0 n SER 6 Ca 0.03 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.64 2fe0 n SER 6 Cb 0.41 -2.02 -0.04 0.00 -0.75 0.00 0.00 64.21 61.82 2fe0 n SER 6 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2fe0 n SER 7 N 0.00 1.23 -4.77 -3.46 3.41 -0.76 -4.98 113.62 104.29 2fe0 n SER 7 Ca 0.00 -1.12 -0.38 0.00 -0.26 0.00 0.00 58.87 57.11 2fe0 n SER 7 Cb 0.00 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 2fe0 n SER 7 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2fe0 s GLU 8 N -2.08 4.23 -0.03 4.33 4.04 -0.72 -5.00 118.70 123.47 2fe0 s GLU 8 Ca 0.10 1.67 -0.02 0.00 0.04 0.00 0.00 54.97 56.76 2fe0 s GLU 8 Cb 0.12 -2.72 -0.01 0.00 0.02 0.00 0.00 34.13 31.55 2fe0 s GLU 8 CO 0.48 -0.12 -0.03 -0.91 -1.84 0.00 0.00 175.26 172.84 2fe0 h ASN 9 N 2.81 0.00 -3.98 0.83 2.35 -1.93 -3.49 115.58 112.17 2fe0 h ASN 9 Ca -0.48 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.58 2fe0 h ASN 9 Cb 1.22 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.37 2fe0 h ASN 9 CO 0.63 0.15 -0.83 -0.44 -1.65 0.00 0.00 177.43 175.29 2fe0 s SER 10 N -3.90 3.64 0.00 5.81 0.01 -1.26 -5.12 113.70 112.88 2fe0 s SER 10 Ca -0.03 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2fe0 s SER 10 Cb 0.00 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2fe0 s SER 10 CO 0.04 0.23 0.00 -1.20 0.41 0.00 0.00 173.24 172.72 2fe0 n SER 11 N 1.36 0.00 -3.92 2.44 7.64 -1.26 -5.17 113.62 114.71 2fe0 n SER 11 Ca -0.16 -0.94 -0.17 0.00 1.01 0.00 0.00 58.87 58.60 2fe0 n SER 11 Cb 0.52 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.57 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 -2.90 0.42 -0.02 0.44 1.01 -1.26 -5.09 120.40 112.99 2fe0 s VAL 12 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2fe0 s VAL 12 Cb 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2fe0 s VAL 12 CO 0.00 0.16 -0.17 -0.89 0.00 0.00 0.00 175.10 174.20 2fe0 s THR 13 N 0.39 1.37 0.41 3.92 2.01 -1.26 -5.15 115.64 117.33 2fe0 s THR 13 Ca -0.04 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.31 2fe0 s THR 13 Cb -0.08 -1.15 -0.06 0.00 0.01 0.00 0.00 72.50 71.21 2fe0 s THR 13 CO -0.00 0.39 0.12 -0.31 -0.69 0.00 0.00 174.62 174.13 2fe0 s TYR 14 N -0.23 2.58 0.10 4.92 2.02 -1.26 -4.91 117.35 120.57 2fe0 s TYR 14 Ca 0.03 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 2fe0 s TYR 14 Cb -0.08 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2fe0 s TYR 14 CO 0.00 0.28 0.00 1.55 -1.57 0.00 0.00 175.55 175.81 2fe0 n VAL 15 N -1.14 0.37 0.18 0.71 3.14 -1.26 -4.82 118.33 115.50 2fe0 n VAL 15 Ca -0.02 0.12 0.06 0.00 -2.96 0.00 0.00 64.34 61.53 2fe0 n VAL 15 Cb 0.65 -1.08 0.20 0.00 -1.06 0.00 0.00 33.84 32.56 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 -1.16 6.55 2.35 -1.98 -3.49 115.58 117.85 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 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2fe0 h ASN 16 CO 0.00 0.37 0.00 0.61 -1.65 0.00 0.00 177.43 176.76 2fe0 n GLY 17 N 0.79 0.90 3.87 2.83 0.00 -1.26 -5.08 105.19 107.25 2fe0 n GLY 17 Ca 0.01 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.84 3.79 0.41 1.61 3.00 -1.26 -4.81 118.95 119.84 2fe0 s ARG 18 Ca 0.00 0.48 -0.25 0.00 0.00 0.00 0.00 55.73 55.96 2fe0 s ARG 18 Cb 0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 34.95 32.48 2fe0 s ARG 18 CO 0.00 -0.03 1.24 -2.14 0.00 0.00 0.00 175.30 174.37 2fe0 s PRO 19 N -3.82 3.95 0.38 3.54 0.02 -1.26 -4.93 135.00 132.88 2fe0 s PRO 19 Ca 0.51 2.01 0.20 0.00 0.02 0.00 0.00 61.00 63.74 2fe0 s PRO 19 Cb -0.10 -2.68 0.67 0.00 0.02 0.00 0.00 34.50 32.40 2fe0 s PRO 19 CO 0.31 -0.46 1.72 1.15 -0.33 0.00 0.00 177.00 179.39 2fe0 h THR 20 N 2.33 0.79 -3.29 0.99 2.02 -1.94 -3.43 112.91 110.38 2fe0 h THR 20 Ca -0.49 -1.49 -0.65 0.00 0.77 0.00 0.00 66.41 64.54 2fe0 h THR 20 Cb 1.24 1.94 -0.17 0.00 -1.74 0.00 0.00 68.15 69.43 2fe0 h THR 20 CO 0.62 0.34 -0.62 0.12 0.37 0.00 0.00 175.52 176.36 2fe0 s PHE 21 N -3.54 3.15 -0.07 3.16 5.36 -1.26 -5.08 117.98 119.70 2fe0 s PHE 21 Ca 0.01 0.03 0.05 0.00 -0.96 0.00 0.00 56.93 56.06 2fe0 s PHE 21 Cb 0.10 -1.91 -0.00 0.00 -0.34 0.00 0.00 43.02 40.87 2fe0 s PHE 21 CO 0.68 0.26 -0.21 0.08 -1.46 0.00 0.00 175.22 174.56 2fe0 s VAL 22 N -0.23 1.81 0.00 3.12 1.01 -1.26 -5.04 120.40 119.81 2fe0 s VAL 22 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2fe0 s VAL 22 Cb -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2fe0 s VAL 22 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2fe0 n GLY 23 N 3.30 1.40 2.10 4.51 0.00 -1.26 -4.95 105.19 110.30 2fe0 n GLY 23 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.34 1.61 2.13 -0.26 -4.85 120.64 115.92 2fe0 n GLU 24 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 2fe0 n GLU 24 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2fe0 s GLU 25 N -1.99 4.27 -0.07 5.31 2.56 -0.52 -4.95 118.70 123.32 2fe0 s GLU 25 Ca 0.00 0.35 0.06 0.00 0.00 0.00 0.00 54.97 55.38 2fe0 s GLU 25 Cb 0.00 -3.48 -0.01 0.00 2.00 0.00 0.00 34.13 32.64 2fe0 s GLU 25 CO 0.00 0.07 -0.25 0.08 -0.56 0.00 0.00 175.26 174.60 2fe0 s VAL 26 N 0.93 2.05 -0.03 3.70 1.01 -1.26 -1.24 120.40 125.55 2fe0 s VAL 26 Ca 0.23 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2fe0 s VAL 26 Cb -0.15 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.51 2fe0 s VAL 26 CO 0.09 0.57 0.08 -0.89 0.00 0.00 0.00 175.10 174.94 2fe0 s THR 27 N -0.05 -0.03 0.14 3.92 2.01 -0.19 -4.93 115.64 116.51 2fe0 s THR 27 Ca -0.07 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 2fe0 s THR 27 Cb -0.15 -0.13 -0.07 0.00 0.01 0.00 0.00 72.50 72.16 2fe0 s THR 27 CO 0.05 0.04 1.03 -1.59 -0.69 0.00 0.00 174.62 173.46 2fe0 s LYS 28 N 0.60 4.65 -0.11 4.92 -2.85 -1.26 0.30 119.74 125.98 2fe0 s LYS 28 Ca -0.05 1.58 -0.03 0.00 -1.00 0.00 0.00 55.97 56.47 2fe0 s LYS 28 Cb -0.07 -3.33 -0.02 0.00 -2.06 0.00 0.00 37.83 32.35 2fe0 s LYS 28 CO -0.02 0.14 0.02 0.78 0.10 0.00 0.00 175.35 176.37 2fe0 h GLY 29 N 5.39 0.00 -5.19 0.59 0.00 -1.32 -3.45 103.07 99.10 2fe0 h GLY 29 Ca -0.43 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.33 2fe0 h GLY 29 CO 0.72 0.00 0.29 -1.36 0.00 0.00 0.00 176.54 176.19 2fe0 s PHE 30 N -1.70 3.49 0.05 5.60 0.08 -1.23 -4.93 117.98 119.34 2fe0 s PHE 30 Ca -0.04 1.29 0.32 0.00 0.12 0.00 0.00 56.93 58.63 2fe0 s PHE 30 Cb 0.00 -2.96 1.25 0.00 -0.57 0.00 0.00 43.02 40.74 2fe0 s PHE 30 CO 0.08 -0.12 1.94 0.93 -0.10 0.00 0.00 175.22 177.96 2fe0 h GLU 31 N 7.11 0.00 -7.20 0.44 5.08 -1.87 -3.39 114.58 114.75 2fe0 h GLU 31 Ca -0.34 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.52 2fe0 h GLU 31 Cb 1.16 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.49 2fe0 h GLU 31 CO 0.80 0.01 0.38 0.15 -1.00 0.00 0.00 179.01 179.35 2fe0 s LYS 32 N -3.63 3.16 1.17 2.33 -0.14 -1.26 -4.82 119.74 116.56 2fe0 s LYS 32 Ca 0.02 1.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 2fe0 s LYS 32 Cb 0.09 -2.01 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 2fe0 s LYS 32 CO 0.56 -0.94 0.00 -0.25 -0.76 0.00 0.00 175.35 173.96 2fe0 n ASP 33 N -2.17 -3.93 -0.26 2.83 8.00 -1.26 -3.14 116.55 116.61 2fe0 n ASP 33 Ca 0.09 0.08 0.15 0.00 0.71 0.00 0.00 54.79 55.83 2fe0 n ASP 33 Cb 0.53 -0.25 0.43 0.00 -0.02 0.00 0.00 41.12 41.81 2fe0 n ASP 33 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2fe0 h ASN 34 N -0.07 0.56 0.00 -2.24 -0.73 -1.92 -3.43 115.58 107.75 2fe0 h ASN 34 Ca 0.00 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2fe0 h ASN 34 Cb 0.07 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.60 2fe0 h ASN 34 CO 0.00 0.25 0.00 0.61 -0.37 0.00 0.00 177.43 177.92 2fe0 n GLY 35 N -1.46 0.08 5.02 1.57 0.00 -1.19 -4.99 105.19 104.24 2fe0 n GLY 35 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.61 0.99 4.77 -1.26 -3.57 117.00 113.32 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 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2fe0 n LEU 36 CO 0.00 0.00 -0.27 -0.22 -1.33 0.00 0.00 177.39 175.57 2fe0 s LEU 37 N 0.00 3.69 -0.22 2.23 2.96 -1.26 -3.53 118.68 122.55 2fe0 s LEU 37 Ca 0.00 0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 2fe0 s LEU 37 Cb 0.00 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 2fe0 s LEU 37 CO 0.00 0.18 0.01 -0.36 -1.32 0.00 0.00 176.35 174.87 2fe0 s PHE 38 N 0.30 3.04 -0.51 5.38 0.08 -1.24 -1.14 117.98 123.88 2fe0 s PHE 38 Ca 0.02 -0.52 -0.29 0.00 0.12 0.00 0.00 56.93 56.26 2fe0 s PHE 38 Cb -0.13 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2fe0 s PHE 38 CO 0.01 -0.32 1.25 0.50 -0.10 0.00 0.00 175.22 176.57 2fe0 s ARG 39 N 1.23 3.56 -0.15 0.44 3.52 0.88 -3.78 118.95 124.64 2fe0 s ARG 39 Ca 0.03 0.52 -0.12 0.00 -0.13 0.00 0.00 55.73 56.03 2fe0 s ARG 39 Cb -0.15 -4.00 -0.05 0.00 -1.56 0.00 0.00 34.95 29.20 2fe0 s ARG 39 CO 0.01 -1.61 0.25 0.42 -0.81 0.00 0.00 175.30 173.57 2fe0 s ILE 40 N 5.08 5.33 -0.03 4.11 1.01 -0.28 -1.02 121.20 135.39 2fe0 s ILE 40 Ca 0.50 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.61 2fe0 s ILE 40 Cb -0.09 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.83 2fe0 s ILE 40 CO 0.29 0.44 -0.00 -0.69 0.00 0.00 0.00 174.94 174.98 2fe0 s VAL 41 N 0.16 0.19 -0.46 2.92 1.01 -0.37 -0.65 120.40 123.20 2fe0 s VAL 41 Ca 0.15 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 2fe0 s VAL 41 Cb -0.13 -0.29 0.11 0.00 0.00 0.00 0.00 36.38 36.07 2fe0 s VAL 41 CO 0.03 0.15 0.33 0.21 0.00 0.00 0.00 175.10 175.83 2fe0 s ASN 42 N 1.05 5.73 0.45 3.32 3.04 -1.16 -1.11 114.94 126.26 2fe0 s ASN 42 Ca -0.09 -1.76 0.20 0.00 0.04 0.00 0.00 52.86 51.25 2fe0 s ASN 42 Cb -0.14 -2.02 1.18 0.00 -1.54 0.00 0.00 41.25 38.73 2fe0 s ASN 42 CO -0.02 -0.66 1.88 0.11 -3.04 0.00 0.00 177.10 175.38 2fe0 h LYS 43 N 8.48 0.29 0.00 0.43 1.57 -1.91 2.90 116.57 128.33 2fe0 h LYS 43 Ca -0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2fe0 h LYS 43 Cb 1.08 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2fe0 h LYS 43 CO 0.84 0.19 0.00 1.63 -0.57 0.00 0.00 179.45 181.55 2fe0 n LYS 44 N -4.45 0.00 0.00 3.15 5.02 -1.26 -2.90 118.16 117.72 2fe0 n LYS 44 Ca 0.18 0.73 0.12 0.00 -2.02 0.00 0.00 58.31 57.32 2fe0 n LYS 44 Cb 0.71 -1.46 0.28 0.00 -0.02 0.00 0.00 35.03 34.53 2fe0 n LYS 44 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2fe0 n LYS 45 N -2.40 0.95 -3.50 1.97 5.02 -1.04 -4.95 118.16 114.21 2fe0 n LYS 45 Ca 0.00 -0.64 -0.25 0.00 -2.02 0.00 0.00 58.31 55.40 2fe0 n LYS 45 Cb 0.00 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.56 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 -0.46 -5.82 -3.66 1.97 4.76 0.97 -4.33 118.16 111.58 2fe0 n LYS 46 Ca 0.11 0.74 -0.37 0.00 -2.87 0.00 0.00 58.31 55.93 2fe0 n LYS 46 Cb 0.38 -5.65 -0.10 0.00 -1.84 0.00 0.00 35.03 27.82 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 -6.20 4.03 0.35 1.97 -2.07 -1.17 -2.22 119.66 114.36 2fe0 s GLN 47 Ca 0.51 -0.29 -0.23 0.00 -1.82 0.00 0.00 55.36 53.53 2fe0 s GLN 47 Cb -0.24 -3.54 -0.10 0.00 -1.09 0.00 0.00 33.01 28.04 2fe0 s GLN 47 CO 0.63 0.02 0.90 -1.58 -1.32 0.00 0.00 175.29 173.94 2fe0 s TRP 48 N 1.17 3.53 -0.05 9.60 0.52 0.17 -2.99 118.94 130.89 2fe0 s TRP 48 Ca 0.07 1.62 -0.10 0.00 0.02 0.00 0.00 56.10 57.71 2fe0 s TRP 48 Cb -0.14 -2.82 0.02 0.00 -1.15 0.00 0.00 33.47 29.38 2fe0 s TRP 48 CO 0.05 0.11 0.25 0.00 0.02 0.00 0.00 176.95 177.38 2fe0 s ALA 49 N -1.82 -0.62 -0.04 0.98 0.00 0.18 -1.20 121.76 119.23 2fe0 s ALA 49 Ca 0.54 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.98 2fe0 s ALA 49 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2fe0 s ALA 49 CO 0.19 -0.18 -0.19 0.71 0.00 0.00 0.00 175.76 176.28 2fe0 s TYR 50 N -0.63 1.88 -0.14 0.00 2.02 -1.21 -1.13 117.35 118.14 2fe0 s TYR 50 Ca -0.07 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.15 2fe0 s TYR 50 Cb -0.04 -1.24 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 2fe0 s TYR 50 CO 0.02 -0.14 -0.18 -0.47 -1.57 0.00 0.00 175.55 173.21 2fe0 s TYR 51 N -0.15 2.35 -0.18 2.71 5.04 -1.25 -3.53 117.35 122.35 2fe0 s TYR 51 Ca -0.00 -1.23 -0.18 0.00 -2.44 0.00 0.00 57.07 53.21 2fe0 s TYR 51 Cb -0.11 -1.66 -0.03 0.00 0.35 0.00 0.00 41.96 40.51 2fe0 s TYR 51 CO 0.02 -0.61 0.51 1.21 -1.34 0.00 0.00 175.55 175.33 2fe0 s ASN 52 N 1.10 6.59 -0.23 4.32 3.84 -1.25 -3.69 114.94 125.62 2fe0 s ASN 52 Ca -0.02 0.71 0.08 0.00 0.21 0.00 0.00 52.86 53.84 2fe0 s ASN 52 Cb -0.14 -2.29 -0.21 0.00 -0.55 0.00 0.00 41.25 38.06 2fe0 s ASN 52 CO -0.06 -0.14 -0.07 -0.90 -2.79 0.00 0.00 177.10 173.15 2fe0 n ASP 53 N 4.52 1.19 -4.68 -4.21 5.75 -1.23 -2.71 116.55 115.18 2fe0 n ASP 53 Ca -0.05 -0.06 -0.44 0.00 -0.01 0.00 0.00 54.79 54.23 2fe0 n ASP 53 Cb 0.51 0.13 -0.04 0.00 -1.03 0.00 0.00 41.12 40.69 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 -3.07 0.51 -0.10 2.12 -2.24 -1.26 -4.63 114.28 105.62 2fe0 n THR 54 Ca -0.40 -0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.38 2fe0 n THR 54 Cb 1.06 -2.07 0.28 0.00 -2.10 0.00 0.00 70.33 67.50 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 4.95 1.22 0.00 4.28 -2.24 -1.26 -3.95 114.28 117.29 2fe0 n THR 55 Ca 0.20 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2fe0 n THR 55 Cb 0.36 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.05 3.61 -3.91 -0.78 0.00 -1.26 -5.03 117.38 111.06 2fe0 n GLN 56 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 57.00 57.10 2fe0 n GLN 56 Cb 0.66 -0.62 -0.13 0.00 0.00 0.00 0.00 30.24 30.15 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 -1.14 0.09 0.16 2.61 2.02 -1.25 -3.50 117.35 116.34 2fe0 s TYR 57 Ca 0.00 -0.16 -0.10 0.00 -0.37 0.00 0.00 57.07 56.44 2fe0 s TYR 57 Cb 0.00 -0.06 -0.07 0.00 -0.40 0.00 0.00 41.96 41.43 2fe0 s TYR 57 CO 0.00 -0.06 0.49 -1.83 -1.57 0.00 0.00 175.55 172.59 2fe0 s GLU 58 N -0.44 3.82 -0.26 -0.62 1.03 0.71 -4.58 118.70 118.36 2fe0 s GLU 58 Ca -0.05 0.27 -0.15 0.00 0.03 0.00 0.00 54.97 55.07 2fe0 s GLU 58 Cb -0.03 -2.84 -0.04 0.00 -0.80 0.00 0.00 34.13 30.43 2fe0 s GLU 58 CO -0.00 0.44 0.40 -1.64 -1.33 0.00 0.00 175.26 173.12 2fe0 s MET 59 N -2.34 4.03 -0.25 -4.83 -1.94 -1.07 -2.33 119.30 110.58 2fe0 s MET 59 Ca 0.40 0.10 -0.09 0.00 -1.71 0.00 0.00 55.69 54.39 2fe0 s MET 59 Cb -0.13 -3.65 -0.04 0.00 2.01 0.00 0.00 34.83 33.02 2fe0 s MET 59 CO 0.20 -0.28 0.13 -1.01 -0.01 0.00 0.00 175.02 174.06 2fe0 s HIS 60 N 2.07 3.22 -0.21 -0.03 3.76 -1.02 -1.80 115.29 121.27 2fe0 s HIS 60 Ca 0.16 0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 55.01 2fe0 s HIS 60 Cb -0.16 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 2fe0 s HIS 60 CO 0.10 -0.09 0.10 0.08 -0.85 0.00 0.00 174.74 174.08 2fe0 s VAL 61 N 1.30 4.91 -0.35 -0.90 1.01 -0.94 -3.10 120.40 122.33 2fe0 s VAL 61 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2fe0 s VAL 61 Cb -0.14 -3.25 0.14 0.00 0.00 0.00 0.00 36.38 33.12 2fe0 s VAL 61 CO 0.06 0.40 0.23 -0.22 0.00 0.00 0.00 175.10 175.57 2fe0 s LEU 62 N 0.84 0.72 -0.12 3.92 2.96 -0.46 -2.32 118.68 124.22 2fe0 s LEU 62 Ca 0.05 -1.96 -0.00 0.00 -0.22 0.00 0.00 54.13 52.00 2fe0 s LEU 62 Cb -0.13 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.33 2fe0 s LEU 62 CO 0.02 -0.32 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.93 2fe0 s VAL 63 N 1.27 3.23 -0.12 1.68 1.01 -1.19 -0.74 120.40 125.53 2fe0 s VAL 63 Ca 0.17 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2fe0 s VAL 63 Cb -0.21 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2fe0 s VAL 63 CO -0.04 0.53 -0.05 -0.89 0.00 0.00 0.00 175.10 174.65 2fe0 s THR 64 N 0.12 3.76 0.28 3.92 2.01 0.19 -2.73 115.64 123.19 2fe0 s THR 64 Ca -0.05 -0.42 0.11 0.00 0.31 0.00 0.00 61.69 61.64 2fe0 s THR 64 Cb -0.15 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2fe0 s THR 64 CO 0.04 0.53 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.02 2fe0 s PHE 65 N -0.03 2.44 0.52 4.92 0.40 0.10 0.68 117.98 127.00 2fe0 s PHE 65 Ca 0.00 -0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 2fe0 s PHE 65 Cb -0.13 -1.08 -0.06 0.00 0.51 0.00 0.00 43.02 42.26 2fe0 s PHE 65 CO 0.03 0.68 0.94 1.21 0.70 0.00 0.00 175.22 178.78 2fe0 s ASN 66 N -3.57 6.46 0.29 1.36 2.47 -1.06 0.09 114.94 120.98 2fe0 s ASN 66 Ca 0.31 1.39 0.04 0.00 0.42 0.00 0.00 52.86 55.02 2fe0 s ASN 66 Cb -0.05 -2.44 0.74 0.00 -1.45 0.00 0.00 41.25 38.05 2fe0 s ASN 66 CO 0.17 -0.63 1.69 -0.08 -3.72 0.00 0.00 177.10 174.53 2fe0 h GLU 67 N 0.58 0.37 -4.03 0.43 4.81 -1.64 -2.86 114.58 112.23 2fe0 h GLU 67 Ca -0.46 -0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.05 2fe0 h GLU 67 Cb 1.19 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2fe0 h GLU 67 CO 0.62 0.24 3.04 -0.25 -0.73 0.00 0.00 179.01 181.93 2fe0 n ASP 68 N -5.06 3.83 -3.38 1.04 8.00 -1.26 -4.77 116.55 114.95 2fe0 n ASP 68 Ca 0.22 -2.81 -0.06 0.00 0.71 0.00 0.00 54.79 52.86 2fe0 n ASP 68 Cb 0.67 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.13 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fe0 n ASP 70 N 5.39 4.72 -4.50 0.00 2.03 -1.18 -4.93 116.55 118.07 2fe0 n ASP 70 Ca -0.04 -2.90 -0.26 0.00 0.52 0.00 0.00 54.79 52.10 2fe0 n ASP 70 Cb 0.50 -1.73 -0.10 0.00 -0.72 0.00 0.00 41.12 39.07 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 4.01 2.78 0.30 5.18 -4.36 -1.25 0.75 121.20 128.62 2fe0 s ILE 71 Ca 0.53 -1.96 0.06 0.00 -0.26 0.00 0.00 60.65 59.01 2fe0 s ILE 71 Cb 0.06 -2.39 -0.06 0.00 1.25 0.00 0.00 42.46 41.32 2fe0 s ILE 71 CO 0.04 -0.19 -0.01 -0.75 0.24 0.00 0.00 174.94 174.27 2fe0 s LYS 72 N -2.98 1.61 -0.13 0.37 2.20 0.90 -4.91 119.74 116.81 2fe0 s LYS 72 Ca 0.25 -1.85 -0.05 0.00 -0.36 0.00 0.00 55.97 53.96 2fe0 s LYS 72 Cb -0.08 -1.08 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 2fe0 s LYS 72 CO 0.14 -0.05 0.06 0.00 -0.36 0.00 0.00 175.35 175.13 2fe0 s ALA 73 N -3.09 3.47 0.46 3.13 0.00 -1.26 -1.36 121.76 123.10 2fe0 s ALA 73 Ca 0.32 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.60 2fe0 s ALA 73 Cb 0.06 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 2fe0 s ALA 73 CO 0.13 0.46 0.19 -0.51 0.00 0.00 0.00 175.76 176.04 2fe0 s LEU 74 N -0.51 2.89 0.00 0.00 1.43 0.18 -4.89 118.68 117.77 2fe0 s LEU 74 Ca 0.10 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 2fe0 s LEU 74 Cb -0.12 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.85 2fe0 s LEU 74 CO 0.02 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.51 2fe0 n GLY 75 N -1.34 1.60 0.30 -3.19 0.00 -1.26 -0.86 105.19 100.44 2fe0 n GLY 75 Ca -0.04 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 1.10 -1.71 1.61 2.85 -1.26 -4.93 118.16 129.83 2fe0 n LYS 76 Ca 0.00 -0.60 -0.60 0.00 -1.05 0.00 0.00 58.31 56.06 2fe0 n LYS 76 Cb 0.00 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 32.81 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 -0.42 0.21 -2.94 0.58 -1.04 -0.04 -4.88 114.28 105.74 2fe0 n THR 77 Ca 0.15 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 2fe0 n THR 77 Cb 0.33 -1.01 -0.04 0.00 -1.82 0.00 0.00 70.33 67.79 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 3.16 4.42 -0.10 -2.82 2.47 -1.20 -4.50 119.74 121.17 2fe0 s LYS 78 Ca 0.99 1.02 0.04 0.00 -1.56 0.00 0.00 55.97 56.46 2fe0 s LYS 78 Cb -1.17 -3.49 0.00 0.00 -1.46 0.00 0.00 37.83 31.72 2fe0 s LYS 78 CO 0.68 -0.08 -0.23 -1.17 0.16 0.00 0.00 175.35 174.72 2fe0 s LEU 79 N 1.25 2.05 0.02 5.43 2.96 -1.26 -3.33 118.68 125.80 2fe0 s LEU 79 Ca 0.40 -0.53 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 2fe0 s LEU 79 Cb -0.18 -1.35 0.03 0.00 0.50 0.00 0.00 46.19 45.19 2fe0 s LEU 79 CO 0.18 0.15 0.38 -1.83 -1.32 0.00 0.00 176.35 173.91 2fe0 s GLU 80 N 0.36 0.84 0.12 1.98 -1.05 -1.07 -5.00 118.70 114.89 2fe0 s GLU 80 Ca -0.18 -0.31 0.05 0.00 -0.15 0.00 0.00 54.97 54.38 2fe0 s GLU 80 Cb -0.18 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 2fe0 s GLU 80 CO 0.08 -0.27 0.07 -1.14 0.95 0.00 0.00 175.26 174.95 2fe0 s GLN 81 N -2.11 2.76 0.39 -4.83 0.74 -1.26 -1.58 119.66 113.76 2fe0 s GLN 81 Ca -0.08 -0.84 0.08 0.00 0.05 0.00 0.00 55.36 54.57 2fe0 s GLN 81 Cb -0.02 -2.61 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 2fe0 s GLN 81 CO -0.00 0.52 0.36 -0.65 -0.55 0.00 0.00 175.29 174.97 2fe0 s GLN 82 N -2.69 2.62 0.28 1.67 -1.52 -0.41 -4.96 119.66 114.66 2fe0 s GLN 82 Ca 0.29 -1.43 -0.01 0.00 -1.95 0.00 0.00 55.36 52.25 2fe0 s GLN 82 Cb -0.11 -2.44 0.39 0.00 -0.22 0.00 0.00 33.01 30.63 2fe0 s GLN 82 CO 0.21 -0.10 1.81 1.49 -0.25 0.00 0.00 175.29 178.45 2fe0 h GLU 83 N 1.07 0.82 -0.05 2.91 4.57 -2.00 -1.90 114.58 120.00 2fe0 h GLU 83 Ca -0.42 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 57.59 2fe0 h GLU 83 Cb 1.26 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2fe0 h GLU 83 CO 0.57 0.76 0.06 -2.95 -1.18 0.00 0.00 179.01 176.27 2fe0 h ASN 84 N 0.78 0.00 -0.07 1.04 -0.00 -2.05 -3.45 115.58 111.82 2fe0 h ASN 84 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 2fe0 h ASN 84 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.65 2fe0 h ASN 84 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.04 2fe0 n GLY 85 N -1.32 0.65 3.01 9.14 0.00 -0.71 -5.01 105.19 110.93 2fe0 n GLY 85 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.19 0.39 -0.04 1.61 2.02 -1.25 -1.61 118.70 119.63 2fe0 s GLU 86 Ca 0.00 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.24 2fe0 s GLU 86 Cb 0.00 0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.25 2fe0 s GLU 86 CO 0.00 -0.04 0.09 -1.58 0.02 0.00 0.00 175.26 173.75 2fe0 s TRP 87 N -1.81 3.37 -0.05 1.61 0.52 0.11 -1.28 118.94 121.41 2fe0 s TRP 87 Ca -0.12 0.30 0.02 0.00 0.02 0.00 0.00 56.10 56.32 2fe0 s TRP 87 Cb -0.07 -1.80 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 2fe0 s TRP 87 CO -0.02 0.59 -0.11 0.08 0.02 0.00 0.00 176.95 177.51 2fe0 s VAL 88 N -1.12 1.02 -0.21 4.03 1.01 -0.62 -0.73 120.40 123.79 2fe0 s VAL 88 Ca 0.20 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2fe0 s VAL 88 Cb -0.12 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.40 2fe0 s VAL 88 CO 0.10 0.32 0.07 0.00 0.00 0.00 0.00 175.10 175.60 2fe0 s ALA 89 N 0.52 0.80 0.03 5.51 0.00 -1.11 -2.58 121.76 124.93 2fe0 s ALA 89 Ca -0.11 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.24 2fe0 s ALA 89 Cb -0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 2fe0 s ALA 89 CO 0.02 -1.28 -0.26 -1.54 0.00 0.00 0.00 175.76 172.70 2fe0 s SER 90 N 1.97 3.10 -0.27 0.00 1.04 -1.21 -3.18 113.70 115.14 2fe0 s SER 90 Ca 0.02 -0.56 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 2fe0 s SER 90 Cb -0.17 -0.29 0.09 0.00 0.10 0.00 0.00 66.02 65.75 2fe0 s SER 90 CO -0.14 0.26 0.81 0.54 0.98 0.00 0.00 173.24 175.70 2fe0 s VAL 91 N -0.77 0.00 -0.12 5.02 0.11 -0.98 -3.25 120.40 120.41 2fe0 s VAL 91 Ca 0.11 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 2fe0 s VAL 91 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.01 0.00 0.23 -0.69 -3.33 0.00 0.00 175.10 171.32 2fe0 s VAL 92 N 0.48 5.35 -0.11 2.04 1.01 -1.26 -2.22 120.40 125.69 2fe0 s VAL 92 Ca -0.00 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2fe0 s VAL 92 Cb -0.05 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2fe0 s VAL 92 CO -0.03 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 2fe0 s VAL 93 N -0.47 2.46 0.37 2.92 1.01 -0.75 -5.03 120.40 120.92 2fe0 s VAL 93 Ca 0.16 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2fe0 s VAL 93 Cb -0.13 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2fe0 s VAL 93 CO 0.05 0.55 0.66 -0.31 0.00 0.00 0.00 175.10 176.04 2fe0 s TYR 94 N 0.32 3.50 0.75 5.22 2.02 -1.26 -2.61 117.35 125.29 2fe0 s TYR 94 Ca -0.15 0.71 -0.15 0.00 -0.37 0.00 0.00 57.07 57.10 2fe0 s TYR 94 Cb -0.17 -2.18 0.05 0.00 -0.40 0.00 0.00 41.96 39.26 2fe0 s TYR 94 CO 0.08 -0.01 1.24 -2.14 -1.57 0.00 0.00 175.55 173.14 2fe0 s PRO 95 N -4.07 1.96 -1.36 -1.71 0.02 -1.26 -2.39 135.00 126.19 2fe0 s PRO 95 Ca 0.45 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2fe0 s PRO 95 Cb -0.10 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2fe0 s PRO 95 CO 0.35 -1.99 0.00 0.00 -0.33 0.00 0.00 177.00 175.03 2fe0 s GLU 97 N -3.05 0.30 -0.10 0.00 0.41 -1.00 -5.02 118.70 110.24 2fe0 s GLU 97 Ca 0.00 -0.32 0.01 0.00 -0.41 0.00 0.00 54.97 54.26 2fe0 s GLU 97 Cb 0.00 -0.18 0.02 0.00 -1.78 0.00 0.00 34.13 32.19 2fe0 s GLU 97 CO 0.00 0.04 -0.12 0.99 -0.49 0.00 0.00 175.26 175.68 2fe0 s THR 98 N -0.57 1.26 0.33 3.63 2.01 -1.26 -3.78 115.64 117.27 2fe0 s THR 98 Ca -0.04 -0.50 0.10 0.00 0.31 0.00 0.00 61.69 61.55 2fe0 s THR 98 Cb -0.04 -1.18 -0.06 0.00 0.01 0.00 0.00 72.50 71.22 2fe0 s THR 98 CO -0.00 0.39 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.60 2fe0 s GLU 99 N 1.04 1.78 0.42 4.92 2.02 -1.23 -4.91 118.70 122.74 2fe0 s GLU 99 Ca -0.07 -1.90 -0.11 0.00 0.02 0.00 0.00 54.97 52.91 2fe0 s GLU 99 Cb -0.15 -1.69 -0.07 0.00 0.10 0.00 0.00 34.13 32.32 2fe0 s GLU 99 CO -0.01 0.17 0.80 -1.64 0.02 0.00 0.00 175.26 174.59 2fe0 s MET 100 N -3.60 3.80 0.00 1.61 -1.94 -1.26 -3.34 119.30 114.58 2fe0 s MET 100 Ca 0.32 0.54 0.00 0.00 -1.71 0.00 0.00 55.69 54.83 2fe0 s MET 100 Cb 0.01 -2.36 0.00 0.00 2.01 0.00 0.00 34.83 34.49 2fe0 s MET 100 CO 0.16 -0.06 0.00 0.34 -0.01 0.00 0.00 175.02 175.45 2fe0 n PHE 101 N -1.31 0.00 -4.37 -0.03 7.35 -0.35 -4.38 117.46 114.37 2fe0 n PHE 101 Ca 0.03 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.50 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 1.36 1.96 0.08 -2.13 -5.25 -1.25 0.47 121.20 116.43 2fe0 s ILE 102 Ca 0.00 -2.11 0.02 0.00 -0.99 0.00 0.00 60.65 57.57 2fe0 s ILE 102 Cb 0.00 -2.01 -0.04 0.00 2.95 0.00 0.00 42.46 43.36 2fe0 s ILE 102 CO 0.00 -0.40 -0.07 -0.70 -1.79 0.00 0.00 174.94 171.98 2fe0 s GLU 103 N -3.18 0.72 0.00 0.37 2.12 -0.47 0.46 118.70 118.73 2fe0 s GLU 103 Ca 0.21 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.42 2fe0 s GLU 103 Cb -0.04 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.09 2fe0 s GLU 103 CO 0.08 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 2fe0 n GLY 104 N 0.54 0.46 3.82 -1.50 0.00 -0.94 0.31 105.19 107.87 2fe0 n GLY 104 Ca -0.16 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.19 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 4.06 -0.12 1.61 3.52 0.23 -4.88 118.95 123.38 2fe0 s ARG 105 Ca 0.00 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 2fe0 s ARG 105 Cb 0.00 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.14 2fe0 s ARG 105 CO 0.00 0.66 -0.12 0.08 -0.81 0.00 0.00 175.30 175.11 2fe0 s VAL 106 N -1.07 3.18 -0.05 7.11 1.01 -1.26 -3.07 120.40 126.25 2fe0 s VAL 106 Ca 0.26 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2fe0 s VAL 106 Cb -0.18 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2fe0 s VAL 106 CO 0.16 0.54 0.04 0.21 0.00 0.00 0.00 175.10 176.05 2fe0 s ASN 107 N 0.11 1.16 -0.05 3.32 2.47 -1.26 -5.00 114.94 115.68 2fe0 s ASN 107 Ca -0.05 0.03 -0.03 0.00 0.42 0.00 0.00 52.86 53.23 2fe0 s ASN 107 Cb -0.15 -0.22 0.01 0.00 -1.45 0.00 0.00 41.25 39.45 2fe0 s ASN 107 CO 0.04 -0.22 0.05 0.61 -3.72 0.00 0.00 177.10 173.87 2fe0 n GLY 108 N 5.14 -1.27 3.18 1.21 0.00 -1.26 -3.92 105.19 108.27 2fe0 n GLY 108 Ca -0.07 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.31 0.13 -0.10 1.61 -0.71 -1.26 -2.56 117.98 114.78 2fe0 s PHE 109 Ca -0.06 -0.46 0.01 0.00 -1.04 0.00 0.00 56.93 55.38 2fe0 s PHE 109 Cb 0.00 -0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.73 2fe0 s PHE 109 CO 0.20 -0.47 -0.13 0.15 -1.34 0.00 0.00 175.22 173.63 2fe0 s LYS 110 N -3.16 3.09 -0.11 1.99 3.01 0.21 -4.95 119.74 119.83 2fe0 s LYS 110 Ca -0.00 -0.68 -0.00 0.00 -1.01 0.00 0.00 55.97 54.27 2fe0 s LYS 110 Cb 0.02 -2.56 -0.02 0.00 -1.01 0.00 0.00 37.83 34.26 2fe0 s LYS 110 CO -0.07 0.36 -0.10 -1.12 0.51 0.00 0.00 175.35 174.94 2fe0 s SER 111 N -0.04 4.35 -0.05 2.83 0.01 -1.26 0.53 113.70 120.07 2fe0 s SER 111 Ca -0.03 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 2fe0 s SER 111 Cb -0.14 -1.44 0.03 0.00 0.21 0.00 0.00 66.02 64.68 2fe0 s SER 111 CO 0.04 0.24 0.03 -0.75 0.41 0.00 0.00 173.24 173.21 2fe0 s LYS 112 N -0.08 0.22 0.17 12.44 2.47 0.08 -4.99 119.74 130.05 2fe0 s LYS 112 Ca -0.01 0.24 0.05 0.00 -1.56 0.00 0.00 55.97 54.69 2fe0 s LYS 112 Cb -0.14 -0.67 -0.05 0.00 -1.46 0.00 0.00 37.83 35.52 2fe0 s LYS 112 CO 0.03 -0.29 -0.09 -1.64 0.16 0.00 0.00 175.35 173.52 2fe0 s MET 113 N 1.93 1.14 0.26 4.03 -1.94 -1.26 -1.36 119.30 122.11 2fe0 s MET 113 Ca 0.03 -1.51 -0.16 0.00 -1.71 0.00 0.00 55.69 52.34 2fe0 s MET 113 Cb -0.12 -0.69 0.01 0.00 2.01 0.00 0.00 34.83 36.04 2fe0 s MET 113 CO -0.04 0.06 0.58 0.34 -0.01 0.00 0.00 175.02 175.96 2fe0 s ASP 114 N -3.21 -0.15 -0.42 3.03 -1.08 -1.18 -5.01 116.67 108.65 2fe0 s ASP 114 Ca 0.19 -0.81 0.02 0.00 -0.52 0.00 0.00 52.55 51.44 2fe0 s ASP 114 Cb 0.03 0.65 0.12 0.00 -1.46 0.00 0.00 42.92 42.26 2fe0 s ASP 114 CO 0.03 -1.24 0.20 0.00 0.52 0.00 0.00 175.17 174.68 2fe0 s ALA 115 N -3.93 2.34 0.56 3.66 0.00 -1.26 -2.44 121.76 120.68 2fe0 s ALA 115 Ca 0.18 -2.55 -0.04 0.00 0.00 0.00 0.00 51.96 49.55 2fe0 s ALA 115 Cb -0.03 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.20 2fe0 s ALA 115 CO 0.08 -1.95 0.84 -0.51 0.00 0.00 0.00 175.76 174.22 2fe0 s LEU 116 N 0.51 3.30 0.03 0.00 1.43 -0.98 -4.81 118.68 118.16 2fe0 s LEU 116 Ca 0.15 0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 53.47 2fe0 s LEU 116 Cb -0.23 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 2fe0 s LEU 116 CO -0.05 -1.04 0.87 -2.84 0.23 0.00 0.00 176.35 173.52 2fe0 s PRO 117 N -4.88 4.56 -0.27 1.29 0.02 -1.26 -0.21 135.00 134.25 2fe0 s PRO 117 Ca 0.53 1.23 -0.33 0.00 0.02 0.00 0.00 61.00 62.46 2fe0 s PRO 117 Cb -0.10 -3.41 -0.09 0.00 0.02 0.00 0.00 34.50 30.92 2fe0 s PRO 117 CO 0.42 0.13 2.16 1.28 -0.33 0.00 0.00 177.00 180.66 2fe0 n LEU 118 N 3.27 2.69 0.00 -5.54 4.77 -1.23 -4.80 117.00 116.17 2fe0 n LEU 118 Ca 0.01 0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 2fe0 n LEU 118 Cb 0.50 -1.38 0.08 0.00 -2.33 0.00 0.00 43.42 40.30 2fe0 n LEU 118 CO 0.50 -0.62 0.36 -1.20 -1.33 0.00 0.00 177.39 175.09 2fe0 n SER 119 N 10.01 0.22 0.10 -1.43 7.64 -1.26 -4.86 113.62 124.04 2fe0 n SER 119 Ca 0.35 -1.31 0.14 0.00 1.01 0.00 0.00 58.87 59.06 2fe0 n SER 119 Cb 0.31 -0.42 0.65 0.00 -1.01 0.00 0.00 64.21 63.74 2fe0 n SER 119 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2fe0 h GLU 120 N 0.00 0.05 -0.87 1.43 4.57 -2.01 -0.58 114.58 117.16 2fe0 h GLU 120 Ca -0.18 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.06 2fe0 h GLU 120 Cb 0.55 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 2fe0 h GLU 120 CO 0.15 0.03 0.57 0.93 -1.18 0.00 0.00 179.01 179.51 2fe0 h GLU 121 N 0.05 0.95 -0.36 1.92 5.08 -1.99 -1.66 114.58 118.57 2fe0 h GLU 121 Ca 0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2fe0 h GLU 121 Cb 0.55 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2fe0 h GLU 121 CO -0.01 0.63 0.16 -0.92 -1.00 0.00 0.00 179.01 177.86 2fe0 h TYR 122 N 0.97 0.54 -0.84 4.33 3.20 -1.43 -0.91 116.97 122.82 2fe0 h TYR 122 Ca 0.37 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.24 2fe0 h TYR 122 Cb 0.21 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 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 0.44 1.04 -0.52 1.82 3.08 -1.34 -1.69 114.38 117.22 2fe0 h ARG 123 Ca 0.12 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 2fe0 h ARG 123 Cb 0.16 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2fe0 h ARG 123 CO -0.01 0.69 0.01 0.37 -1.07 0.00 0.00 179.97 179.95 2fe0 h GLN 124 N 1.07 0.87 -0.86 0.04 4.15 -1.03 -2.80 115.11 116.55 2fe0 h GLN 124 Ca 0.33 -0.24 0.03 0.00 0.77 0.00 0.00 58.65 59.53 2fe0 h GLN 124 Cb -0.02 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 2fe0 h GLN 124 CO -0.11 0.86 0.56 1.25 -1.93 0.00 0.00 178.83 179.47 2fe0 h HIS 125 N 0.81 1.05 -0.16 3.99 2.76 -0.27 -0.95 115.15 122.37 2fe0 h HIS 125 Ca 0.15 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 2fe0 h HIS 125 Cb 0.47 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 2fe0 h HIS 125 CO 0.03 0.62 0.60 1.96 -1.30 0.00 0.00 177.93 179.84 2fe0 h GLN 126 N 1.10 0.00 -0.14 5.26 4.20 -1.13 0.56 115.11 124.96 2fe0 h GLN 126 Ca 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 2fe0 h GLN 126 Cb -0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2fe0 h GLN 126 CO -0.10 0.00 0.06 0.00 -0.67 0.00 0.00 178.83 178.12 2fe0 h ALA 127 N 0.95 1.84 0.00 3.87 0.00 -1.28 -1.04 119.26 123.61 2fe0 h ALA 127 Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2fe0 h ALA 127 Cb 1.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2fe0 h ALA 127 CO -0.00 0.13 -0.54 1.05 0.00 0.00 0.00 179.25 179.90 2fe0 h GLU 128 N 0.19 0.00 -0.97 0.00 -0.00 -0.05 -3.08 114.58 110.67 2fe0 h GLU 128 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.44 2fe0 h GLU 128 Cb 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.73 2fe0 h GLU 128 CO -0.01 0.54 0.64 0.87 -0.00 0.00 0.00 179.01 181.05 2fe0 h LYS 129 N 0.00 1.21 -2.58 1.06 1.79 -1.28 -3.45 116.57 113.32 2fe0 h LYS 129 Ca -0.01 -0.07 0.09 0.00 -2.18 0.00 0.00 60.65 58.48 2fe0 h LYS 129 Cb 1.06 -0.27 -0.11 0.00 -1.58 0.00 0.00 32.23 31.33 2fe0 h LYS 129 CO 0.07 0.80 0.38 0.34 -1.08 0.00 0.00 179.45 179.96 2fe0 s ASP 130 N -6.08 -0.34 0.00 0.86 2.15 -1.16 -5.16 116.67 106.93 2fe0 s ASP 130 Ca -0.12 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 52.64 2fe0 s ASP 130 Cb 0.19 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.33 2fe0 s ASP 130 CO 0.81 -0.90 0.00 1.17 -0.17 0.00 0.00 175.17 176.08