#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 1.81 0.31 -5.12 0.00 -1.26 -4.90 107.32 98.16 2fe0 s GLY 2 Ca 0.00 1.29 0.01 0.00 0.00 0.00 0.00 44.72 46.02 2fe0 s GLY 2 CO 0.00 2.49 1.87 0.00 0.00 0.00 0.00 173.10 177.45 2fe0 n GLY 4 N -0.96 1.64 3.59 0.00 0.00 -1.26 -5.14 105.19 103.06 2fe0 n GLY 4 Ca 0.04 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n ALA 5 N -3.00 0.02 0.27 4.61 0.00 -1.26 -4.84 120.51 116.30 2fe0 n ALA 5 Ca 0.00 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.71 2fe0 n ALA 5 Cb 0.00 -2.06 0.74 0.00 0.00 0.00 0.00 19.45 18.13 2fe0 n ALA 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2fe0 h SER 6 N 1.20 0.00 -2.63 0.00 4.64 -2.01 -3.48 113.55 111.27 2fe0 h SER 6 Ca -0.45 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.12 2fe0 h SER 6 Cb 1.35 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.34 2fe0 h SER 6 CO 0.55 0.03 -0.65 -1.20 -0.87 0.00 0.00 176.83 174.69 2fe0 n SER 7 N -4.17 -5.81 -4.77 4.97 7.64 -1.26 -4.67 113.62 105.55 2fe0 n SER 7 Ca -0.03 0.74 -0.41 0.00 1.01 0.00 0.00 58.87 60.18 2fe0 n SER 7 Cb 0.12 -3.70 -0.01 0.00 -1.01 0.00 0.00 64.21 59.61 2fe0 n SER 7 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2fe0 s GLU 8 N -3.36 4.11 0.00 1.43 8.01 -1.26 -4.89 118.70 122.74 2fe0 s GLU 8 Ca 0.00 2.58 0.23 0.00 0.01 0.00 0.00 54.97 57.79 2fe0 s GLU 8 Cb 0.00 -2.99 0.72 0.00 -4.31 0.00 0.00 34.13 27.55 2fe0 s GLU 8 CO 0.00 -0.58 1.54 0.27 0.01 0.00 0.00 175.26 176.50 2fe0 n ASN 9 N 1.10 2.00 0.18 -0.19 6.94 -1.26 -4.39 115.26 119.63 2fe0 n ASN 9 Ca 0.04 -1.73 -0.07 0.00 -0.02 0.00 0.00 54.58 52.79 2fe0 n ASN 9 Cb 0.38 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.67 2fe0 n ASN 9 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2fe0 h SER 10 N 2.75 -0.38 -0.00 0.53 4.64 -1.98 -3.47 113.55 115.64 2fe0 h SER 10 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2fe0 h SER 10 Cb 0.60 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2fe0 h SER 10 CO 0.00 -0.26 0.00 -1.20 -0.87 0.00 0.00 176.83 174.50 2fe0 n SER 11 N -3.31 -0.04 -4.02 4.97 7.64 -1.26 -4.77 113.62 112.83 2fe0 n SER 11 Ca -0.06 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.64 2fe0 n SER 11 Cb 0.18 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.69 0.08 0.44 1.01 -1.26 -5.11 120.40 116.25 2fe0 s VAL 12 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2fe0 s VAL 12 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2fe0 s VAL 12 CO 0.00 0.20 -0.11 0.28 0.00 0.00 0.00 175.10 175.46 2fe0 s THR 13 N -0.20 0.94 0.31 3.92 -1.32 -1.26 -5.16 115.64 112.87 2fe0 s THR 13 Ca 0.03 -1.39 0.03 0.00 -1.21 0.00 0.00 61.69 59.15 2fe0 s THR 13 Cb -0.03 -1.09 -0.06 0.00 -1.51 0.00 0.00 72.50 69.81 2fe0 s THR 13 CO -0.00 -0.38 0.07 -0.31 -2.21 0.00 0.00 174.62 171.79 2fe0 s TYR 14 N -1.73 1.85 0.26 9.09 2.02 -1.26 -5.07 117.35 122.51 2fe0 s TYR 14 Ca -0.01 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 2fe0 s TYR 14 Cb -0.07 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 2fe0 s TYR 14 CO 0.01 -0.10 0.00 1.55 -1.57 0.00 0.00 175.55 175.45 2fe0 n VAL 15 N -0.65 0.02 0.23 0.71 3.14 -1.26 -4.87 118.33 115.66 2fe0 n VAL 15 Ca -0.02 0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.44 2fe0 n VAL 15 Cb 0.66 -0.52 0.55 0.00 -1.06 0.00 0.00 33.84 33.48 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 -1.98 -3.47 115.58 119.03 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 0.17 0.00 0.61 -1.65 0.00 0.00 177.43 176.56 2fe0 n GLY 17 N -0.94 1.13 3.89 2.83 0.00 -1.26 -5.02 105.19 105.83 2fe0 n GLY 17 Ca -0.02 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 3.67 0.23 1.61 1.81 -1.26 -4.82 118.95 118.18 2fe0 s ARG 18 Ca 0.00 0.01 -0.30 0.00 -1.72 0.00 0.00 55.73 53.72 2fe0 s ARG 18 Cb 0.00 -2.80 -0.09 0.00 -0.45 0.00 0.00 34.95 31.62 2fe0 s ARG 18 CO 0.00 0.43 1.03 -1.25 -0.68 0.00 0.00 175.30 174.83 2fe0 s PRO 19 N -2.69 4.71 0.17 3.54 0.04 -1.26 -4.94 135.00 134.57 2fe0 s PRO 19 Ca 0.43 1.65 0.26 0.00 0.04 0.00 0.00 61.00 63.37 2fe0 s PRO 19 Cb -0.12 -3.26 0.91 0.00 0.04 0.00 0.00 34.50 32.07 2fe0 s PRO 19 CO 0.24 0.29 1.78 -2.37 0.04 0.00 0.00 177.00 176.97 2fe0 n THR 20 N 1.69 0.55 -4.85 1.26 5.66 -1.26 -4.70 114.28 112.64 2fe0 n THR 20 Ca -0.00 -0.12 -0.33 0.00 -3.05 0.00 0.00 64.05 60.55 2fe0 n THR 20 Cb 0.46 -0.70 -0.15 0.00 -1.55 0.00 0.00 70.33 68.40 2fe0 n THR 20 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2fe0 s PHE 21 N -3.12 2.77 -0.06 1.09 5.36 -1.26 -5.11 117.98 117.65 2fe0 s PHE 21 Ca 0.10 -0.67 -0.00 0.00 -0.96 0.00 0.00 56.93 55.39 2fe0 s PHE 21 Cb 0.13 -1.81 0.03 0.00 -0.34 0.00 0.00 43.02 41.02 2fe0 s PHE 21 CO 0.53 -0.22 -0.02 0.08 -1.46 0.00 0.00 175.22 174.13 2fe0 s VAL 22 N 0.29 0.49 0.00 3.12 1.01 -1.26 -5.02 120.40 119.03 2fe0 s VAL 22 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2fe0 s VAL 22 Cb -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2fe0 s VAL 22 CO 0.06 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2fe0 n GLY 23 N 4.72 0.25 2.05 4.51 0.00 -1.26 -4.93 105.19 110.53 2fe0 n GLY 23 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.45 1.61 2.13 0.86 -4.82 120.64 116.97 2fe0 n GLU 24 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 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 -2.00 4.20 -0.05 5.31 2.56 -0.88 -4.96 118.70 122.89 2fe0 s GLU 25 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 54.97 55.18 2fe0 s GLU 25 Cb 0.00 -3.50 -0.02 0.00 2.00 0.00 0.00 34.13 32.62 2fe0 s GLU 25 CO 0.00 0.06 -0.23 0.08 -0.56 0.00 0.00 175.26 174.61 2fe0 s VAL 26 N 1.00 2.23 -0.05 3.70 1.01 -1.26 -1.50 120.40 125.53 2fe0 s VAL 26 Ca 0.18 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2fe0 s VAL 26 Cb -0.14 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.45 2fe0 s VAL 26 CO 0.07 0.57 0.13 -0.89 0.00 0.00 0.00 175.10 174.98 2fe0 s THR 27 N -0.35 -0.02 -0.44 3.92 2.01 -0.38 -4.94 115.64 115.44 2fe0 s THR 27 Ca 0.02 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 2fe0 s THR 27 Cb -0.12 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.20 2fe0 s THR 27 CO 0.02 0.03 0.86 -1.59 -0.69 0.00 0.00 174.62 173.25 2fe0 s LYS 28 N 0.56 3.53 0.15 4.92 0.00 -1.26 0.28 119.74 127.91 2fe0 s LYS 28 Ca -0.04 0.10 -0.20 0.00 0.00 0.00 0.00 55.97 55.83 2fe0 s LYS 28 Cb -0.06 -3.91 0.03 0.00 0.00 0.00 0.00 37.83 33.89 2fe0 s LYS 28 CO -0.03 -1.13 1.67 0.78 0.00 0.00 0.00 175.35 176.64 2fe0 h GLY 29 N 10.28 0.07 -5.20 0.59 0.00 -1.71 -3.39 103.07 103.71 2fe0 h GLY 29 Ca -0.24 0.17 -0.57 0.00 0.00 0.00 0.00 47.33 46.69 2fe0 h GLY 29 CO 0.99 -0.15 -0.03 -1.36 0.00 0.00 0.00 176.54 175.99 2fe0 s PHE 30 N -6.17 3.57 -1.16 5.60 0.08 -1.25 -4.94 117.98 113.71 2fe0 s PHE 30 Ca -0.14 1.09 0.09 0.00 0.12 0.00 0.00 56.93 58.08 2fe0 s PHE 30 Cb 0.12 -2.66 0.37 0.00 -0.57 0.00 0.00 43.02 40.29 2fe0 s PHE 30 CO 0.69 0.18 1.18 0.39 -0.10 0.00 0.00 175.22 177.55 2fe0 n GLU 31 N 3.52 2.51 -4.41 0.44 1.02 -1.26 -4.27 120.64 118.19 2fe0 n GLU 31 Ca -0.05 -1.46 -0.30 0.00 -0.02 0.00 0.00 57.16 55.33 2fe0 n GLU 31 Cb 0.51 -1.65 -0.12 0.00 -0.02 0.00 0.00 31.44 30.17 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2fe0 s LYS 32 N -1.73 1.76 3.01 3.49 2.47 -1.26 -4.94 119.74 122.54 2fe0 s LYS 32 Ca 0.26 -1.17 0.00 0.00 -1.56 0.00 0.00 55.97 53.50 2fe0 s LYS 32 Cb 0.18 -2.08 0.00 0.00 -1.46 0.00 0.00 37.83 34.47 2fe0 s LYS 32 CO 0.11 0.49 0.00 -0.25 0.16 0.00 0.00 175.35 175.86 2fe0 n ASP 33 N 0.99 -2.66 -1.45 1.43 8.00 -1.26 -2.40 116.55 119.20 2fe0 n ASP 33 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2fe0 n ASP 33 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2fe0 n ASN 34 N -3.02 2.73 0.00 -2.24 5.03 -1.26 -4.63 115.26 111.87 2fe0 n ASN 34 Ca 0.00 -1.63 0.00 0.00 0.87 0.00 0.00 54.58 53.82 2fe0 n ASN 34 Cb 0.00 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.21 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2fe0 n GLY 35 N 1.35 1.78 5.01 7.41 0.00 -1.01 -4.70 105.19 115.03 2fe0 n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.69 0.99 4.77 -1.26 -3.80 117.00 113.01 2fe0 n LEU 36 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2fe0 n LEU 36 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2fe0 n LEU 36 CO 0.00 0.00 -0.26 -0.22 -1.33 0.00 0.00 177.39 175.58 2fe0 s LEU 37 N 0.00 3.84 -0.19 2.23 2.96 -1.26 -3.83 118.68 122.42 2fe0 s LEU 37 Ca 0.00 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2fe0 s LEU 37 Cb 0.00 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2fe0 s LEU 37 CO 0.00 0.27 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.88 2fe0 s PHE 38 N -0.24 2.93 -0.53 5.38 0.40 -1.25 -2.43 117.98 122.23 2fe0 s PHE 38 Ca 0.08 -0.80 -0.28 0.00 -0.60 0.00 0.00 56.93 55.33 2fe0 s PHE 38 Cb -0.12 -2.02 0.03 0.00 0.51 0.00 0.00 43.02 41.42 2fe0 s PHE 38 CO 0.02 -0.40 1.12 0.50 0.70 0.00 0.00 175.22 177.16 2fe0 s ARG 39 N 1.06 3.57 -0.13 0.44 3.52 0.82 -3.85 118.95 124.38 2fe0 s ARG 39 Ca 0.00 0.30 -0.13 0.00 -0.13 0.00 0.00 55.73 55.77 2fe0 s ARG 39 Cb -0.15 -3.97 -0.05 0.00 -1.56 0.00 0.00 34.95 29.22 2fe0 s ARG 39 CO -0.01 -1.52 0.30 0.42 -0.81 0.00 0.00 175.30 173.69 2fe0 s ILE 40 N 4.58 5.28 -0.05 4.11 1.01 -0.61 -1.25 121.20 134.26 2fe0 s ILE 40 Ca 0.43 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.66 2fe0 s ILE 40 Cb -0.08 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.79 2fe0 s ILE 40 CO 0.27 0.45 -0.03 -0.69 0.00 0.00 0.00 174.94 174.94 2fe0 s VAL 41 N 0.03 0.48 -0.44 2.92 1.01 -0.56 -1.09 120.40 122.74 2fe0 s VAL 41 Ca 0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 2fe0 s VAL 41 Cb -0.14 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 35.80 2fe0 s VAL 41 CO 0.06 0.23 0.30 0.21 0.00 0.00 0.00 175.10 175.90 2fe0 s ASN 42 N 1.18 5.73 0.45 3.32 3.04 -1.17 -0.10 114.94 127.39 2fe0 s ASN 42 Ca -0.07 -1.60 0.17 0.00 0.04 0.00 0.00 52.86 51.40 2fe0 s ASN 42 Cb -0.14 -2.02 1.11 0.00 -1.54 0.00 0.00 41.25 38.66 2fe0 s ASN 42 CO -0.01 -0.60 1.93 0.11 -3.04 0.00 0.00 177.10 175.49 2fe0 h LYS 43 N 8.47 0.33 -0.21 0.43 1.57 -1.91 2.95 116.57 128.21 2fe0 h LYS 43 Ca -0.23 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2fe0 h LYS 43 Cb 1.08 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 2fe0 h LYS 43 CO 0.81 0.22 -0.25 -0.22 -0.57 0.00 0.00 179.45 179.44 2fe0 h LYS 44 N 0.34 -0.16 -0.02 3.15 3.64 -1.96 -2.83 116.57 118.73 2fe0 h LYS 44 Ca 0.35 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2fe0 h LYS 44 Cb 0.88 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2fe0 h LYS 44 CO -0.10 -0.10 -0.16 1.63 -2.27 0.00 0.00 179.45 178.45 2fe0 n LYS 45 N -3.91 1.72 -3.35 1.90 4.76 -1.03 -4.97 118.16 113.29 2fe0 n LYS 45 Ca -0.01 -1.43 -0.24 0.00 -2.87 0.00 0.00 58.31 53.75 2fe0 n LYS 45 Cb 0.15 -1.40 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2fe0 n LYS 46 N 0.70 -5.06 -3.58 1.97 4.76 0.98 -4.17 118.16 113.77 2fe0 n LYS 46 Ca 0.11 0.73 -0.37 0.00 -2.87 0.00 0.00 58.31 55.91 2fe0 n LYS 46 Cb 0.48 -5.59 -0.09 0.00 -1.84 0.00 0.00 35.03 28.00 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 -6.03 4.13 0.27 1.97 -2.07 -1.14 -2.78 119.66 113.99 2fe0 s GLN 47 Ca 0.43 -0.10 -0.22 0.00 -1.82 0.00 0.00 55.36 53.65 2fe0 s GLN 47 Cb -0.21 -3.52 -0.09 0.00 -1.09 0.00 0.00 33.01 28.10 2fe0 s GLN 47 CO 0.54 0.07 0.82 -1.58 -1.32 0.00 0.00 175.29 173.81 2fe0 s TRP 48 N 1.02 3.66 0.02 9.60 0.52 0.41 -3.02 118.94 131.14 2fe0 s TRP 48 Ca 0.12 1.55 -0.08 0.00 0.02 0.00 0.00 56.10 57.71 2fe0 s TRP 48 Cb -0.14 -2.75 -0.00 0.00 -1.15 0.00 0.00 33.47 29.44 2fe0 s TRP 48 CO 0.05 0.27 0.15 0.00 0.02 0.00 0.00 176.95 177.44 2fe0 s ALA 49 N -1.58 -0.28 -0.02 0.98 0.00 -0.25 -0.97 121.76 119.65 2fe0 s ALA 49 Ca 0.46 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.19 2fe0 s ALA 49 Cb -0.17 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2fe0 s ALA 49 CO 0.22 -0.28 -0.13 0.71 0.00 0.00 0.00 175.76 176.27 2fe0 s TYR 50 N -2.02 1.24 -0.21 0.00 2.02 -1.20 -1.58 117.35 115.60 2fe0 s TYR 50 Ca -0.10 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2fe0 s TYR 50 Cb -0.04 -0.81 0.05 0.00 -0.40 0.00 0.00 41.96 40.76 2fe0 s TYR 50 CO -0.01 -0.04 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.36 2fe0 s TYR 51 N -0.22 2.47 0.12 2.71 5.04 -1.25 -3.60 117.35 122.62 2fe0 s TYR 51 Ca 0.03 -1.66 -0.30 0.00 -2.44 0.00 0.00 57.07 52.70 2fe0 s TYR 51 Cb -0.06 -1.65 -0.06 0.00 0.35 0.00 0.00 41.96 40.54 2fe0 s TYR 51 CO -0.00 -0.76 0.97 1.21 -1.34 0.00 0.00 175.55 175.63 2fe0 s ASN 52 N 1.38 7.50 -0.14 4.32 3.84 -1.25 -3.97 114.94 126.62 2fe0 s ASN 52 Ca -0.02 1.82 -0.02 0.00 0.21 0.00 0.00 52.86 54.85 2fe0 s ASN 52 Cb -0.17 -2.59 -0.08 0.00 -0.55 0.00 0.00 41.25 37.86 2fe0 s ASN 52 CO -0.08 -0.05 -0.14 -0.90 -2.79 0.00 0.00 177.10 173.14 2fe0 n ASP 53 N 2.67 2.36 -4.69 -4.21 5.75 -1.25 -3.81 116.55 113.37 2fe0 n ASP 53 Ca 0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.36 2fe0 n ASP 53 Cb 0.49 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 40.27 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 -3.12 0.07 -0.32 2.12 -2.24 -1.26 -4.63 114.28 104.89 2fe0 n THR 54 Ca -0.25 -0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.62 2fe0 n THR 54 Cb 0.74 -1.78 0.32 0.00 -2.10 0.00 0.00 70.33 67.51 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 3.84 1.17 -0.01 4.28 -2.24 -1.26 -4.25 114.28 115.81 2fe0 n THR 55 Ca 0.17 -1.00 -0.01 0.00 -2.27 0.00 0.00 64.05 60.95 2fe0 n THR 55 Cb 0.32 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.44 1.84 -4.69 -0.78 7.27 -1.26 -5.03 117.38 116.16 2fe0 n GLN 56 Ca 0.24 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 57.01 2fe0 n GLN 56 Cb 0.67 -1.03 -0.13 0.00 2.41 0.00 0.00 30.24 32.16 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 -2.03 2.54 0.12 3.69 1.51 -1.26 -2.79 117.35 119.13 2fe0 s TYR 57 Ca -0.01 -0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 55.67 2fe0 s TYR 57 Cb 0.00 -1.46 -0.06 0.00 -0.11 0.00 0.00 41.96 40.33 2fe0 s TYR 57 CO 0.04 0.24 0.47 -1.83 -1.11 0.00 0.00 175.55 173.36 2fe0 s GLU 58 N -1.39 3.85 -0.28 -0.62 -1.05 0.70 -4.64 118.70 115.27 2fe0 s GLU 58 Ca 0.14 0.30 -0.17 0.00 -0.15 0.00 0.00 54.97 55.10 2fe0 s GLU 58 Cb -0.10 -2.95 -0.03 0.00 -0.44 0.00 0.00 34.13 30.61 2fe0 s GLU 58 CO 0.05 0.51 0.46 -1.64 0.95 0.00 0.00 175.26 175.59 2fe0 s MET 59 N -2.00 3.99 -0.23 -4.83 -1.94 -1.11 -3.02 119.30 110.15 2fe0 s MET 59 Ca 0.36 0.15 -0.06 0.00 -1.71 0.00 0.00 55.69 54.42 2fe0 s MET 59 Cb -0.14 -3.68 -0.02 0.00 2.01 0.00 0.00 34.83 33.00 2fe0 s MET 59 CO 0.19 -0.36 0.04 -1.01 -0.01 0.00 0.00 175.02 173.86 2fe0 s HIS 60 N 2.23 3.06 -0.16 -0.03 3.76 -1.23 -1.55 115.29 121.36 2fe0 s HIS 60 Ca 0.18 -0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 54.51 2fe0 s HIS 60 Cb -0.16 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 2fe0 s HIS 60 CO 0.10 -0.36 0.10 0.08 -0.85 0.00 0.00 174.74 173.81 2fe0 s VAL 61 N 1.44 5.11 -0.35 -0.90 1.01 -0.79 -3.25 120.40 122.67 2fe0 s VAL 61 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2fe0 s VAL 61 Cb -0.15 -3.27 0.14 0.00 0.00 0.00 0.00 36.38 33.10 2fe0 s VAL 61 CO 0.02 0.51 0.26 -0.22 0.00 0.00 0.00 175.10 175.67 2fe0 s LEU 62 N -0.15 0.55 -0.13 3.92 2.96 -0.35 -2.51 118.68 122.97 2fe0 s LEU 62 Ca 0.09 -1.84 -0.01 0.00 -0.22 0.00 0.00 54.13 52.14 2fe0 s LEU 62 Cb -0.12 -0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.50 2fe0 s LEU 62 CO 0.01 -0.31 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.95 2fe0 s VAL 63 N 1.34 3.41 -0.11 1.68 1.01 -1.20 -0.66 120.40 125.88 2fe0 s VAL 63 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2fe0 s VAL 63 Cb -0.20 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2fe0 s VAL 63 CO -0.06 0.52 -0.04 -0.89 0.00 0.00 0.00 175.10 174.63 2fe0 s THR 64 N 0.26 3.93 0.29 3.92 2.01 0.96 -2.77 115.64 124.24 2fe0 s THR 64 Ca -0.07 -0.37 0.11 0.00 0.31 0.00 0.00 61.69 61.67 2fe0 s THR 64 Cb -0.15 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 2fe0 s THR 64 CO 0.04 0.56 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.01 2fe0 s PHE 65 N -0.39 2.35 0.49 4.92 0.40 0.41 0.14 117.98 126.31 2fe0 s PHE 65 Ca 0.06 -0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 2fe0 s PHE 65 Cb -0.12 -1.08 -0.07 0.00 0.51 0.00 0.00 43.02 42.26 2fe0 s PHE 65 CO 0.02 0.68 0.91 1.21 0.70 0.00 0.00 175.22 178.74 2fe0 s ASN 66 N -3.55 6.53 0.29 1.36 2.47 -1.04 -0.39 114.94 120.60 2fe0 s ASN 66 Ca 0.31 1.38 0.03 0.00 0.42 0.00 0.00 52.86 54.99 2fe0 s ASN 66 Cb -0.04 -2.43 0.70 0.00 -1.45 0.00 0.00 41.25 38.03 2fe0 s ASN 66 CO 0.16 -0.55 1.69 -0.08 -3.72 0.00 0.00 177.10 174.60 2fe0 h GLU 67 N 0.87 0.37 -4.07 0.43 4.81 -1.67 -2.89 114.58 112.43 2fe0 h GLU 67 Ca -0.47 -0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.04 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 0.25 3.00 -0.25 -0.73 0.00 0.00 179.01 181.90 2fe0 n ASP 68 N -5.06 3.70 -3.50 1.04 8.00 -1.26 -4.78 116.55 114.69 2fe0 n ASP 68 Ca 0.21 -2.81 -0.06 0.00 0.71 0.00 0.00 54.79 52.84 2fe0 n ASP 68 Cb 0.63 -1.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.09 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fe0 s ASP 70 N 2.65 6.62 0.20 0.00 1.01 -1.18 -4.92 116.67 121.07 2fe0 s ASP 70 Ca 0.05 -2.35 0.07 0.00 0.71 0.00 0.00 52.55 51.03 2fe0 s ASP 70 Cb -0.13 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 2fe0 s ASP 70 CO -0.15 -1.40 -0.12 0.27 0.21 0.00 0.00 175.17 173.97 2fe0 s ILE 71 N 5.06 1.59 0.00 0.77 -4.36 -1.26 -0.15 121.20 122.86 2fe0 s ILE 71 Ca 0.56 -2.17 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 2fe0 s ILE 71 Cb 0.03 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.67 2fe0 s ILE 71 CO 0.09 -0.57 0.00 2.29 0.24 0.00 0.00 174.94 176.98 2fe0 n LYS 72 N -0.38 0.00 -4.67 0.37 2.85 -1.14 -5.02 118.16 110.17 2fe0 n LYS 72 Ca -0.08 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.85 2fe0 n LYS 72 Cb 0.61 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.87 2fe0 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2fe0 s ALA 73 N -1.89 2.86 0.00 0.58 0.00 -1.26 -3.94 121.76 118.11 2fe0 s ALA 73 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2fe0 s ALA 73 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2fe0 s ALA 73 CO 0.00 0.58 0.00 1.28 0.00 0.00 0.00 175.76 177.62 2fe0 n LEU 74 N 2.01 0.00 0.00 0.00 4.77 -0.95 -4.96 117.00 117.87 2fe0 n LEU 74 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 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 0.27 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2fe0 n GLY 75 N 4.05 -3.37 0.00 -0.72 0.00 -1.25 -4.65 105.19 99.25 2fe0 n GLY 75 Ca 0.00 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 0.21 -1.58 1.61 2.85 -1.26 -4.82 118.16 115.16 2fe0 n LYS 76 Ca 0.00 0.13 -0.60 0.00 -1.05 0.00 0.00 58.31 56.79 2fe0 n LYS 76 Cb 0.00 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 32.79 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 -1.33 0.14 -2.68 0.58 -1.04 -1.26 -4.86 114.28 103.84 2fe0 n THR 77 Ca 0.08 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.60 2fe0 n THR 77 Cb 0.16 -0.94 -0.02 0.00 -1.82 0.00 0.00 70.33 67.70 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 4.34 4.34 -0.13 -2.82 2.20 -1.19 -4.58 119.74 121.90 2fe0 s LYS 78 Ca 1.07 1.37 -0.00 0.00 -0.36 0.00 0.00 55.97 58.04 2fe0 s LYS 78 Cb -1.24 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 31.47 2fe0 s LYS 78 CO 0.68 -0.47 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.90 2fe0 s LEU 79 N 2.61 2.72 0.02 5.43 2.96 -1.26 -3.37 118.68 127.80 2fe0 s LEU 79 Ca 0.46 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.87 2fe0 s LEU 79 Cb -0.17 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 44.94 2fe0 s LEU 79 CO 0.12 0.16 0.36 -1.83 -1.32 0.00 0.00 176.35 173.84 2fe0 s GLU 80 N 0.40 0.82 0.12 1.98 -1.05 -0.96 -5.00 118.70 115.01 2fe0 s GLU 80 Ca -0.10 -0.34 0.05 0.00 -0.15 0.00 0.00 54.97 54.44 2fe0 s GLU 80 Cb -0.16 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2fe0 s GLU 80 CO 0.05 -0.26 0.03 -1.14 0.95 0.00 0.00 175.26 174.88 2fe0 s GLN 81 N -2.14 2.59 0.39 -4.83 0.74 -1.26 -0.95 119.66 114.21 2fe0 s GLN 81 Ca -0.08 -0.89 0.08 0.00 0.05 0.00 0.00 55.36 54.52 2fe0 s GLN 81 Cb -0.02 -2.53 -0.01 0.00 1.10 0.00 0.00 33.01 31.55 2fe0 s GLN 81 CO -0.00 0.52 0.44 -0.65 -0.55 0.00 0.00 175.29 175.04 2fe0 s GLN 82 N -2.56 2.74 0.26 1.67 -1.52 -0.10 -4.95 119.66 115.20 2fe0 s GLN 82 Ca 0.27 -1.33 -0.01 0.00 -1.95 0.00 0.00 55.36 52.33 2fe0 s GLN 82 Cb -0.11 -2.57 0.34 0.00 -0.22 0.00 0.00 33.01 30.45 2fe0 s GLN 82 CO 0.19 -0.14 1.75 0.93 -0.25 0.00 0.00 175.29 177.78 2fe0 h GLU 83 N 0.92 0.75 -0.04 2.91 5.08 -2.00 -2.20 114.58 119.99 2fe0 h GLU 83 Ca -0.42 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 57.74 2fe0 h GLU 83 Cb 1.27 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2fe0 h GLU 83 CO 0.53 0.79 0.05 -2.95 -1.00 0.00 0.00 179.01 176.43 2fe0 h ASN 84 N 0.69 0.00 0.00 1.42 -0.00 -2.06 -3.45 115.58 112.18 2fe0 h ASN 84 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 2fe0 h ASN 84 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 2fe0 h ASN 84 CO 0.02 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.06 2fe0 n GLY 85 N -1.35 0.71 3.02 9.14 0.00 -0.83 -5.02 105.19 110.86 2fe0 n GLY 85 Ca -0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.50 0.36 -0.12 1.61 2.02 -1.25 -1.70 118.70 119.12 2fe0 s GLU 86 Ca 0.00 -0.52 -0.06 0.00 0.02 0.00 0.00 54.97 54.41 2fe0 s GLU 86 Cb 0.00 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.33 2fe0 s GLU 86 CO 0.00 -0.07 0.09 -1.58 0.02 0.00 0.00 175.26 173.72 2fe0 s TRP 87 N -1.39 3.43 -0.04 1.61 0.52 0.47 -0.92 118.94 122.63 2fe0 s TRP 87 Ca -0.15 0.38 0.05 0.00 0.02 0.00 0.00 56.10 56.40 2fe0 s TRP 87 Cb -0.09 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.30 2fe0 s TRP 87 CO -0.00 0.58 -0.20 0.08 0.02 0.00 0.00 176.95 177.43 2fe0 s VAL 88 N -0.76 1.62 -0.23 4.03 1.01 -0.13 -0.45 120.40 125.49 2fe0 s VAL 88 Ca 0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2fe0 s VAL 88 Cb -0.12 -1.37 0.09 0.00 0.00 0.00 0.00 36.38 34.98 2fe0 s VAL 88 CO 0.03 0.46 0.14 0.00 0.00 0.00 0.00 175.10 175.73 2fe0 s ALA 89 N -0.12 0.30 0.06 5.51 0.00 -1.11 -2.26 121.76 124.14 2fe0 s ALA 89 Ca -0.01 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.55 2fe0 s ALA 89 Cb -0.11 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2fe0 s ALA 89 CO 0.02 -1.39 -0.21 -1.54 0.00 0.00 0.00 175.76 172.64 2fe0 s SER 90 N 2.18 3.58 -0.15 0.00 1.04 -1.22 -3.23 113.70 115.90 2fe0 s SER 90 Ca 0.06 -0.52 -0.29 0.00 0.48 0.00 0.00 55.95 55.68 2fe0 s SER 90 Cb -0.16 -0.47 0.08 0.00 0.10 0.00 0.00 66.02 65.58 2fe0 s SER 90 CO -0.21 0.24 0.76 0.54 0.98 0.00 0.00 173.24 175.55 2fe0 s VAL 91 N -0.93 0.00 -0.12 5.02 0.11 -1.04 -3.16 120.40 120.27 2fe0 s VAL 91 Ca 0.14 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.16 2fe0 s VAL 91 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 2fe0 s VAL 91 CO 0.05 0.00 0.01 -0.69 -3.33 0.00 0.00 175.10 171.14 2fe0 s VAL 92 N -0.60 4.36 -0.13 2.04 1.01 -1.26 -1.89 120.40 123.92 2fe0 s VAL 92 Ca -0.05 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2fe0 s VAL 92 Cb -0.02 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2fe0 s VAL 92 CO 0.05 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.84 2fe0 s VAL 93 N -0.37 2.66 0.32 2.92 1.01 -0.60 -5.03 120.40 121.32 2fe0 s VAL 93 Ca 0.07 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2fe0 s VAL 93 Cb -0.12 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2fe0 s VAL 93 CO 0.02 0.53 0.59 -0.31 0.00 0.00 0.00 175.10 175.94 2fe0 s TYR 94 N 0.45 3.48 0.78 5.22 2.02 -1.26 -2.77 117.35 125.27 2fe0 s TYR 94 Ca -0.12 0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 57.13 2fe0 s TYR 94 Cb -0.16 -2.15 0.07 0.00 -0.40 0.00 0.00 41.96 39.32 2fe0 s TYR 94 CO 0.05 0.11 1.20 -2.14 -1.57 0.00 0.00 175.55 173.20 2fe0 s PRO 95 N -3.70 1.81 0.00 -1.71 0.02 -1.26 -2.33 135.00 127.82 2fe0 s PRO 95 Ca 0.45 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2fe0 s PRO 95 Cb -0.11 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2fe0 s PRO 95 CO 0.31 -2.07 0.00 0.00 -0.33 0.00 0.00 177.00 174.91 2fe0 s GLU 97 N -1.92 0.69 -0.02 0.00 0.41 -0.99 -5.12 118.70 111.76 2fe0 s GLU 97 Ca 0.00 -0.79 0.04 0.00 -0.41 0.00 0.00 54.97 53.81 2fe0 s GLU 97 Cb 0.00 -0.60 -0.01 0.00 -1.78 0.00 0.00 34.13 31.74 2fe0 s GLU 97 CO 0.00 0.13 -0.14 0.99 -0.49 0.00 0.00 175.26 175.75 2fe0 s THR 98 N -1.16 1.13 0.09 3.63 2.01 -1.26 -3.97 115.64 116.11 2fe0 s THR 98 Ca -0.04 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.39 2fe0 s THR 98 Cb -0.09 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2fe0 s THR 98 CO 0.01 0.33 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.58 2fe0 s GLU 99 N -0.16 0.78 0.44 4.92 0.41 -1.24 -5.08 118.70 118.78 2fe0 s GLU 99 Ca 0.02 -1.16 -0.13 0.00 -0.41 0.00 0.00 54.97 53.28 2fe0 s GLU 99 Cb -0.07 -0.33 -0.07 0.00 -1.78 0.00 0.00 34.13 31.88 2fe0 s GLU 99 CO 0.00 0.03 0.86 -1.64 -0.49 0.00 0.00 175.26 174.02 2fe0 s MET 100 N -3.05 3.86 0.00 1.61 -1.94 -1.26 -3.23 119.30 115.30 2fe0 s MET 100 Ca 0.05 0.68 0.00 0.00 -1.71 0.00 0.00 55.69 54.72 2fe0 s MET 100 Cb -0.00 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.55 2fe0 s MET 100 CO -0.02 -0.12 0.00 0.34 -0.01 0.00 0.00 175.02 175.21 2fe0 n PHE 101 N -1.35 0.00 -4.22 -0.03 7.35 -0.14 -3.97 117.46 115.09 2fe0 n PHE 101 Ca 0.04 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.60 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 1.01 0.88 0.29 -2.13 -5.25 -1.23 -2.24 121.20 112.52 2fe0 s ILE 102 Ca 0.00 -2.00 0.05 0.00 -0.99 0.00 0.00 60.65 57.72 2fe0 s ILE 102 Cb 0.00 -1.89 -0.02 0.00 2.95 0.00 0.00 42.46 43.50 2fe0 s ILE 102 CO 0.00 -0.70 0.20 -1.84 -1.79 0.00 0.00 174.94 170.81 2fe0 n GLU 103 N -0.17 0.43 0.00 0.37 0.28 -1.25 0.15 120.64 120.45 2fe0 n GLU 103 Ca -0.10 -2.79 0.00 0.00 -0.16 0.00 0.00 57.16 54.11 2fe0 n GLU 103 Cb 0.61 2.05 0.00 0.00 1.43 0.00 0.00 31.44 35.53 2fe0 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2fe0 n GLY 104 N -0.46 -1.27 3.80 -1.84 0.00 -1.12 -2.90 105.19 101.41 2fe0 n GLY 104 Ca 0.03 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 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 3.98 -0.15 1.61 3.52 0.79 -4.84 118.95 123.86 2fe0 s ARG 105 Ca 0.00 0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 55.76 2fe0 s ARG 105 Cb 0.00 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.06 2fe0 s ARG 105 CO 0.00 0.50 -0.06 0.08 -0.81 0.00 0.00 175.30 175.02 2fe0 s VAL 106 N -0.37 3.71 -0.07 7.11 1.01 -1.26 -3.09 120.40 127.43 2fe0 s VAL 106 Ca 0.19 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2fe0 s VAL 106 Cb -0.14 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2fe0 s VAL 106 CO 0.08 0.50 -0.01 0.21 0.00 0.00 0.00 175.10 175.87 2fe0 s ASN 107 N 0.37 1.57 -0.05 3.32 2.47 -1.26 -4.98 114.94 116.37 2fe0 s ASN 107 Ca -0.05 -0.11 -0.02 0.00 0.42 0.00 0.00 52.86 53.09 2fe0 s ASN 107 Cb -0.15 -0.48 0.01 0.00 -1.45 0.00 0.00 41.25 39.18 2fe0 s ASN 107 CO 0.03 -0.17 0.04 0.61 -3.72 0.00 0.00 177.10 173.90 2fe0 n GLY 108 N 5.00 -1.18 3.14 1.21 0.00 -1.26 -3.82 105.19 108.28 2fe0 n GLY 108 Ca -0.10 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.46 0.77 -0.08 1.61 -0.71 -1.26 -2.51 117.98 115.32 2fe0 s PHE 109 Ca -0.05 -1.19 0.02 0.00 -1.04 0.00 0.00 56.93 54.67 2fe0 s PHE 109 Cb 0.00 -0.45 0.01 0.00 -1.21 0.00 0.00 43.02 41.38 2fe0 s PHE 109 CO 0.19 -0.48 -0.13 0.21 -1.34 0.00 0.00 175.22 173.66 2fe0 s LYS 110 N -4.01 1.86 -0.14 1.99 2.20 0.12 -4.97 119.74 116.79 2fe0 s LYS 110 Ca 0.19 -0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.30 2fe0 s LYS 110 Cb 0.08 -1.59 -0.04 0.00 -1.51 0.00 0.00 37.83 34.77 2fe0 s LYS 110 CO -0.01 -0.03 0.06 -1.12 -0.36 0.00 0.00 175.35 173.88 2fe0 s SER 111 N 0.89 5.66 -0.04 1.43 0.01 -1.26 -0.03 113.70 120.36 2fe0 s SER 111 Ca -0.10 0.18 -0.02 0.00 1.31 0.00 0.00 55.95 57.33 2fe0 s SER 111 Cb -0.15 -1.84 0.03 0.00 0.21 0.00 0.00 66.02 64.27 2fe0 s SER 111 CO 0.01 0.29 0.05 -0.75 0.41 0.00 0.00 173.24 173.25 2fe0 s LYS 112 N -0.33 -0.06 0.30 12.44 2.20 0.17 -4.98 119.74 129.47 2fe0 s LYS 112 Ca 0.09 0.34 0.04 0.00 -0.36 0.00 0.00 55.97 56.07 2fe0 s LYS 112 Cb -0.12 -0.46 -0.06 0.00 -1.51 0.00 0.00 37.83 35.68 2fe0 s LYS 112 CO 0.02 -0.30 0.03 -1.64 -0.36 0.00 0.00 175.35 173.10 2fe0 s MET 113 N 1.94 1.58 0.30 4.03 -1.94 -1.26 -1.21 119.30 122.74 2fe0 s MET 113 Ca 0.02 -1.85 -0.14 0.00 -1.71 0.00 0.00 55.69 52.01 2fe0 s MET 113 Cb -0.12 -0.87 0.02 0.00 2.01 0.00 0.00 34.83 35.86 2fe0 s MET 113 CO -0.03 -0.13 0.62 0.34 -0.01 0.00 0.00 175.02 175.80 2fe0 s ASP 114 N -3.45 0.02 -0.50 3.03 2.15 -1.20 -5.04 116.67 111.68 2fe0 s ASP 114 Ca 0.34 -0.96 0.03 0.00 0.43 0.00 0.00 52.55 52.39 2fe0 s ASP 114 Cb 0.07 0.70 0.14 0.00 -0.30 0.00 0.00 42.92 43.53 2fe0 s ASP 114 CO 0.14 -1.35 0.27 0.00 -0.17 0.00 0.00 175.17 174.07 2fe0 s ALA 115 N -3.48 2.84 0.25 3.66 0.00 -1.26 -3.54 121.76 120.23 2fe0 s ALA 115 Ca 0.19 -3.03 -0.10 0.00 0.00 0.00 0.00 51.96 49.01 2fe0 s ALA 115 Cb -0.03 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.98 2fe0 s ALA 115 CO 0.11 -2.04 0.57 -0.51 0.00 0.00 0.00 175.76 173.89 2fe0 s LEU 116 N -0.13 4.14 0.34 0.00 1.43 -1.17 -4.89 118.68 118.40 2fe0 s LEU 116 Ca 0.18 0.95 -0.27 0.00 -1.03 0.00 0.00 54.13 53.97 2fe0 s LEU 116 Cb -0.23 -3.73 -0.09 0.00 0.03 0.00 0.00 46.19 42.17 2fe0 s LEU 116 CO -0.02 -0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.40 2fe0 s PRO 117 N -2.89 4.39 -0.29 1.29 0.04 -1.26 -0.22 135.00 136.07 2fe0 s PRO 117 Ca 0.48 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 2fe0 s PRO 117 Cb -0.11 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 2fe0 s PRO 117 CO 0.21 0.01 1.96 -0.51 0.04 0.00 0.00 177.00 178.72 2fe0 s LEU 118 N -2.01 3.48 0.00 -3.56 1.43 -1.12 -4.72 118.68 112.18 2fe0 s LEU 118 Ca 0.51 1.53 -0.09 0.00 -1.03 0.00 0.00 54.13 55.06 2fe0 s LEU 118 Cb -0.29 -3.51 0.12 0.00 0.03 0.00 0.00 46.19 42.54 2fe0 s LEU 118 CO 0.36 -1.81 0.72 -1.20 0.23 0.00 0.00 176.35 174.65 2fe0 n SER 119 N 10.85 0.09 0.27 2.29 7.64 -1.26 -4.86 113.62 128.64 2fe0 n SER 119 Ca 0.26 -1.28 0.14 0.00 1.01 0.00 0.00 58.87 58.99 2fe0 n SER 119 Cb 0.46 -0.54 0.83 0.00 -1.01 0.00 0.00 64.21 63.95 2fe0 n SER 119 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2fe0 h GLU 120 N 0.00 0.00 -0.95 1.43 4.11 -2.01 -1.32 114.58 115.84 2fe0 h GLU 120 Ca -0.23 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.24 2fe0 h GLU 120 Cb 0.65 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2fe0 h GLU 120 CO 0.17 0.00 0.62 0.93 0.07 0.00 0.00 179.01 180.80 2fe0 h GLU 121 N 0.00 1.15 -0.62 1.06 5.08 -1.99 -1.67 114.58 117.59 2fe0 h GLU 121 Ca 0.02 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2fe0 h GLU 121 Cb 0.09 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2fe0 h GLU 121 CO -0.00 0.76 0.08 -0.92 -1.00 0.00 0.00 179.01 177.93 2fe0 h TYR 122 N 1.18 1.11 -0.98 4.33 3.20 -1.57 -1.97 116.97 122.27 2fe0 h TYR 122 Ca 0.38 -0.16 0.06 0.00 3.14 0.00 0.00 58.73 62.15 2fe0 h TYR 122 Cb 0.04 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 37.94 2fe0 h TYR 122 CO -0.00 0.96 0.64 0.00 -1.64 0.00 0.00 178.16 178.11 2fe0 h ARG 123 N 0.94 1.14 -0.25 1.82 3.08 -1.32 -1.40 114.38 118.40 2fe0 h ARG 123 Ca 0.18 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 2fe0 h ARG 123 Cb 0.46 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2fe0 h ARG 123 CO 0.02 0.76 -0.46 0.37 -1.07 0.00 0.00 179.97 179.59 2fe0 h GLN 124 N 1.18 0.64 -0.11 0.04 -0.00 -1.14 -2.79 115.11 112.93 2fe0 h GLN 124 Ca 0.41 -0.36 0.03 0.00 -0.00 0.00 0.00 58.65 58.74 2fe0 h GLN 124 Cb 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.62 2fe0 h GLN 124 CO -0.15 0.97 0.13 1.25 0.00 0.00 0.00 178.83 181.02 2fe0 h HIS 125 N 0.51 0.00 0.00 3.99 2.76 -0.49 0.19 115.15 122.12 2fe0 h HIS 125 Ca 0.03 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2fe0 h HIS 125 Cb 0.99 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.95 2fe0 h HIS 125 CO 0.05 0.00 -0.09 1.96 -1.30 0.00 0.00 177.93 178.55 2fe0 h GLN 126 N 0.00 0.00 0.00 5.26 4.20 -1.19 -2.77 115.11 120.61 2fe0 h GLN 126 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2fe0 h GLN 126 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2fe0 h GLN 126 CO -0.00 0.09 -0.57 0.00 -0.67 0.00 0.00 178.83 177.67 2fe0 n ALA 127 N -2.18 0.51 -0.32 3.87 0.00 0.65 -3.54 120.51 119.50 2fe0 n ALA 127 Ca -0.01 -0.47 0.19 0.00 0.00 0.00 0.00 53.44 53.15 2fe0 n ALA 127 Cb 0.27 0.02 0.39 0.00 0.00 0.00 0.00 19.45 20.12 2fe0 n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2fe0 h GLU 128 N -1.00 0.21 0.00 0.00 4.11 -1.54 2.22 114.58 118.58 2fe0 h GLU 128 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 2fe0 h GLU 128 Cb 0.57 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2fe0 h GLU 128 CO 0.00 0.14 -0.18 1.57 0.07 0.00 0.00 179.01 180.61 2fe0 h LYS 129 N 0.22 0.00 -5.91 1.06 2.10 -1.69 -3.42 116.57 108.93 2fe0 h LYS 129 Ca 0.66 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.72 2fe0 h LYS 129 Cb 1.45 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.70 2fe0 h LYS 129 CO -0.67 0.18 0.60 0.34 -2.00 0.00 0.00 179.45 177.90 2fe0 s ASP 130 N -6.11 6.92 0.00 7.07 2.15 0.75 -5.11 116.67 122.34 2fe0 s ASP 130 Ca 0.01 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.12 2fe0 s ASP 130 Cb 0.10 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2fe0 s ASP 130 CO 0.62 -0.59 0.00 1.17 -0.17 0.00 0.00 175.17 176.20