#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 2.47 0.36 -5.12 0.00 -1.26 -4.92 107.32 98.84 2fe0 s GLY 2 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 44.72 45.49 2fe0 s GLY 2 CO 0.00 1.07 1.96 0.00 0.00 0.00 0.00 173.10 176.13 2fe0 n GLY 4 N -1.44 0.61 3.47 0.00 0.00 -1.26 -3.91 105.19 102.66 2fe0 n GLY 4 Ca 0.11 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 0.19 -1.09 -0.02 4.61 0.00 -1.26 -4.79 120.51 118.15 2fe0 n ALA 5 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.61 2fe0 n ALA 5 Cb 0.00 -2.76 0.53 0.00 0.00 0.00 0.00 19.45 17.22 2fe0 n ALA 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2fe0 h SER 6 N -0.99 0.29 -0.77 0.00 0.02 -1.98 -0.71 113.55 109.41 2fe0 h SER 6 Ca -0.44 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.61 2fe0 h SER 6 Cb 1.29 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 2fe0 h SER 6 CO 0.55 0.19 0.50 0.28 -1.14 0.00 0.00 176.83 177.21 2fe0 h SER 7 N 0.33 0.62 -3.48 3.07 0.02 -1.91 -3.40 113.55 108.81 2fe0 h SER 7 Ca 0.22 0.02 -0.35 0.00 -0.84 0.00 0.00 61.79 60.83 2fe0 h SER 7 Cb 0.43 -0.11 -0.34 0.00 0.14 0.00 0.00 62.40 62.52 2fe0 h SER 7 CO -0.05 0.37 -0.75 -0.70 -1.14 0.00 0.00 176.83 174.56 2fe0 s GLU 8 N -5.64 0.32 -0.10 3.45 2.12 -0.27 -5.14 118.70 113.44 2fe0 s GLU 8 Ca -0.10 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 2fe0 s GLU 8 Cb 0.20 -0.52 0.12 0.00 0.26 0.00 0.00 34.13 34.19 2fe0 s GLU 8 CO 0.78 -0.14 0.95 1.21 -0.54 0.00 0.00 175.26 177.51 2fe0 s ASN 9 N 1.09 -0.38 0.51 -1.70 2.47 -1.26 -4.77 114.94 110.90 2fe0 s ASN 9 Ca -0.09 0.26 0.20 0.00 0.42 0.00 0.00 52.86 53.65 2fe0 s ASN 9 Cb -0.13 0.34 1.33 0.00 -1.45 0.00 0.00 41.25 41.33 2fe0 s ASN 9 CO -0.02 -0.45 2.12 0.77 -3.72 0.00 0.00 177.10 175.80 2fe0 h SER 10 N 2.36 0.00 -0.27 -4.21 4.64 -1.99 -3.45 113.55 110.63 2fe0 h SER 10 Ca -0.20 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.01 2fe0 h SER 10 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 2fe0 h SER 10 CO 0.31 0.07 -0.11 -0.24 -0.87 0.00 0.00 176.83 175.99 2fe0 n SER 11 N -4.23 -4.21 -3.77 4.97 2.88 -1.26 -4.98 113.62 103.02 2fe0 n SER 11 Ca -0.03 0.14 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2fe0 n SER 11 Cb 0.15 -2.22 -0.12 0.00 -0.75 0.00 0.00 64.21 61.27 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2fe0 s VAL 12 N -2.04 -0.02 0.02 2.46 1.01 -1.26 -4.95 120.40 115.63 2fe0 s VAL 12 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.08 2fe0 s VAL 12 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 2fe0 s VAL 12 CO 0.00 0.02 -0.15 -0.89 0.00 0.00 0.00 175.10 174.09 2fe0 s THR 13 N 0.54 1.16 0.33 3.92 2.01 -1.26 -5.15 115.64 117.19 2fe0 s THR 13 Ca -0.03 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.22 2fe0 s THR 13 Cb -0.05 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 2fe0 s THR 13 CO -0.03 0.16 0.01 -0.31 -0.69 0.00 0.00 174.62 173.76 2fe0 s TYR 14 N -0.61 2.55 0.06 4.92 2.02 -1.26 -4.82 117.35 120.21 2fe0 s TYR 14 Ca 0.04 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2fe0 s TYR 14 Cb -0.07 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 2fe0 s TYR 14 CO 0.00 0.49 0.00 1.55 -1.57 0.00 0.00 175.55 176.03 2fe0 n VAL 15 N -0.94 0.00 1.95 0.71 3.14 -1.26 -4.86 118.33 117.08 2fe0 n VAL 15 Ca -0.04 0.00 0.15 0.00 -2.96 0.00 0.00 64.34 61.48 2fe0 n VAL 15 Cb 0.62 -0.37 0.85 0.00 -1.06 0.00 0.00 33.84 33.88 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2fe0 n ASN 16 N -2.68 0.13 0.00 6.55 3.02 -1.26 -4.96 115.26 116.05 2fe0 n ASN 16 Ca 0.00 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2fe0 n ASN 16 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2fe0 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fe0 n GLY 17 N 0.98 3.76 3.87 7.41 0.00 -1.26 -4.93 105.19 115.02 2fe0 n GLY 17 Ca 0.22 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.96 3.70 0.62 1.61 3.00 -1.26 -4.90 118.95 118.75 2fe0 s ARG 18 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 55.73 55.64 2fe0 s ARG 18 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 34.95 31.87 2fe0 s ARG 18 CO 0.00 0.60 0.99 -2.30 0.00 0.00 0.00 175.30 174.58 2fe0 n PRO 19 N 1.02 0.88 0.13 3.54 -0.02 -1.26 -4.91 135.00 134.37 2fe0 n PRO 19 Ca -0.09 0.34 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 2fe0 n PRO 19 Cb 0.52 -2.20 0.25 0.00 -0.02 0.00 0.00 33.50 32.05 2fe0 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fe0 h THR 20 N 0.42 0.00 -3.55 3.45 1.03 -1.96 -3.45 112.91 108.86 2fe0 h THR 20 Ca -0.49 -0.70 -0.67 0.00 -0.01 0.00 0.00 66.41 64.55 2fe0 h THR 20 Cb 1.36 1.56 -0.16 0.00 -1.07 0.00 0.00 68.15 69.85 2fe0 h THR 20 CO 0.51 0.00 -0.71 0.12 -0.01 0.00 0.00 175.52 175.43 2fe0 s PHE 21 N -3.17 2.85 0.35 0.00 5.36 -1.26 -5.13 117.98 116.97 2fe0 s PHE 21 Ca 0.07 -0.09 0.04 0.00 -0.96 0.00 0.00 56.93 56.00 2fe0 s PHE 21 Cb 0.10 -1.53 -0.03 0.00 -0.34 0.00 0.00 43.02 41.22 2fe0 s PHE 21 CO 0.66 0.41 0.17 0.54 -1.46 0.00 0.00 175.22 175.54 2fe0 s VAL 22 N -1.14 0.39 0.00 3.12 0.11 -1.26 -5.05 120.40 116.57 2fe0 s VAL 22 Ca 0.20 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.25 2fe0 s VAL 22 Cb -0.11 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 2fe0 s VAL 22 CO 0.12 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 2fe0 n GLY 23 N -0.73 0.98 2.13 6.54 0.00 -1.26 -4.75 105.19 108.10 2fe0 n GLY 23 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.02 1.61 2.13 -0.20 -4.88 120.64 116.28 2fe0 n GLU 24 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2fe0 n GLU 24 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 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 -1.98 3.39 -0.09 5.31 2.12 -1.13 -4.98 118.70 121.36 2fe0 s GLU 25 Ca 0.00 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.19 2fe0 s GLU 25 Cb 0.00 -3.93 -0.02 0.00 0.26 0.00 0.00 34.13 30.44 2fe0 s GLU 25 CO 0.00 -1.05 -0.15 0.08 -0.54 0.00 0.00 175.26 173.60 2fe0 s VAL 26 N 3.10 2.97 0.26 3.70 1.01 -1.26 -2.64 120.40 127.55 2fe0 s VAL 26 Ca 0.27 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2fe0 s VAL 26 Cb -0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2fe0 s VAL 26 CO 0.21 0.56 0.12 0.42 0.00 0.00 0.00 175.10 176.41 2fe0 s THR 27 N -0.21 0.38 -0.44 3.92 -4.23 -0.89 -4.97 115.64 109.19 2fe0 s THR 27 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2fe0 s THR 27 Cb -0.13 -2.57 0.12 0.00 1.34 0.00 0.00 72.50 71.25 2fe0 s THR 27 CO 0.03 0.00 0.20 -1.59 -0.54 0.00 0.00 174.62 172.72 2fe0 s LYS 28 N -3.99 1.90 0.05 3.99 -2.85 -1.26 -0.52 119.74 117.06 2fe0 s LYS 28 Ca 0.37 -2.14 -0.09 0.00 -1.00 0.00 0.00 55.97 53.11 2fe0 s LYS 28 Cb 0.07 -3.41 -0.02 0.00 -2.06 0.00 0.00 37.83 32.40 2fe0 s LYS 28 CO 0.15 -1.05 1.10 0.41 0.10 0.00 0.00 175.35 176.06 2fe0 n GLY 29 N 3.95 -2.81 3.65 0.59 0.00 -0.85 -3.98 105.19 105.75 2fe0 n GLY 29 Ca 0.03 0.73 -0.43 0.00 0.00 0.00 0.00 46.02 46.36 2fe0 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fe0 s PHE 30 N -3.77 3.27 0.31 1.61 0.08 -1.25 -4.91 117.98 113.32 2fe0 s PHE 30 Ca -0.04 1.28 0.08 0.00 0.12 0.00 0.00 56.93 58.38 2fe0 s PHE 30 Cb 0.03 -3.34 0.50 0.00 -0.57 0.00 0.00 43.02 39.64 2fe0 s PHE 30 CO 0.18 -0.55 1.72 0.93 -0.10 0.00 0.00 175.22 177.40 2fe0 h GLU 31 N 7.72 0.16 -7.26 0.44 4.39 -1.87 -3.38 114.58 114.78 2fe0 h GLU 31 Ca -0.20 -0.08 -0.52 0.00 0.34 0.00 0.00 59.36 58.90 2fe0 h GLU 31 Cb 1.07 -0.00 0.16 0.00 -0.10 0.00 0.00 28.75 29.87 2fe0 h GLU 31 CO 0.97 0.56 0.30 0.21 -1.16 0.00 0.00 179.01 179.90 2fe0 s LYS 32 N -4.10 1.85 1.20 2.33 2.20 -1.26 -4.73 119.74 117.22 2fe0 s LYS 32 Ca -0.04 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 2fe0 s LYS 32 Cb 0.14 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.63 2fe0 s LYS 32 CO 0.76 -1.99 0.00 -0.25 -0.36 0.00 0.00 175.35 173.51 2fe0 n ASP 33 N -3.50 -5.02 -0.21 1.43 8.00 -1.26 -3.33 116.55 112.66 2fe0 n ASP 33 Ca 0.11 0.29 0.13 0.00 0.71 0.00 0.00 54.79 56.04 2fe0 n ASP 33 Cb 0.52 -0.85 0.44 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.25 0.52 0.00 -2.24 -0.73 -1.91 -3.44 115.58 107.52 2fe0 h ASN 34 Ca 0.01 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2fe0 h ASN 34 Cb 0.25 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.76 2fe0 h ASN 34 CO 0.00 0.27 0.00 0.61 -0.37 0.00 0.00 177.43 177.94 2fe0 n GLY 35 N -1.48 0.23 5.03 1.57 0.00 -1.21 -4.69 105.19 104.63 2fe0 n GLY 35 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.37 0.99 4.77 -1.26 -3.80 117.00 113.33 2fe0 n LEU 36 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2fe0 n LEU 36 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2fe0 n LEU 36 CO 0.00 0.00 -0.42 -0.22 -1.33 0.00 0.00 177.39 175.42 2fe0 s LEU 37 N 0.00 2.81 -0.19 2.23 2.96 -1.26 -2.60 118.68 122.63 2fe0 s LEU 37 Ca 0.00 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2fe0 s LEU 37 Cb 0.00 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2fe0 s LEU 37 CO 0.00 0.13 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.77 2fe0 s PHE 38 N 0.59 3.00 -0.05 5.38 0.08 -1.25 -2.00 117.98 123.74 2fe0 s PHE 38 Ca -0.06 -0.52 -0.30 0.00 0.12 0.00 0.00 56.93 56.17 2fe0 s PHE 38 Cb -0.15 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 2fe0 s PHE 38 CO 0.03 -0.25 1.01 0.50 -0.10 0.00 0.00 175.22 176.41 2fe0 s ARG 39 N 0.90 4.48 -0.14 0.44 3.52 0.32 -3.81 118.95 124.67 2fe0 s ARG 39 Ca 0.00 1.43 -0.01 0.00 -0.13 0.00 0.00 55.73 57.02 2fe0 s ARG 39 Cb -0.14 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2fe0 s ARG 39 CO 0.01 -0.19 -0.11 0.42 -0.81 0.00 0.00 175.30 174.62 2fe0 s ILE 40 N 1.51 3.20 -0.05 4.11 1.01 -0.51 -2.11 121.20 128.36 2fe0 s ILE 40 Ca 0.51 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2fe0 s ILE 40 Cb -0.20 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 39.93 2fe0 s ILE 40 CO 0.23 0.52 -0.05 -0.69 0.00 0.00 0.00 174.94 174.95 2fe0 s VAL 41 N 0.40 0.63 -0.43 2.92 1.01 -1.08 -1.15 120.40 122.70 2fe0 s VAL 41 Ca -0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 2fe0 s VAL 41 Cb -0.16 -0.65 0.10 0.00 0.00 0.00 0.00 36.38 35.67 2fe0 s VAL 41 CO 0.05 0.26 0.27 0.21 0.00 0.00 0.00 175.10 175.88 2fe0 s ASN 42 N 1.05 5.53 0.49 3.32 3.04 -1.16 -1.04 114.94 126.17 2fe0 s ASN 42 Ca -0.09 -1.79 0.22 0.00 0.04 0.00 0.00 52.86 51.24 2fe0 s ASN 42 Cb -0.14 -1.94 1.27 0.00 -1.54 0.00 0.00 41.25 38.89 2fe0 s ASN 42 CO -0.01 -0.59 1.94 0.11 -3.04 0.00 0.00 177.10 175.51 2fe0 h LYS 43 N 8.31 0.17 0.10 0.43 1.57 -1.91 3.70 116.57 128.95 2fe0 h LYS 43 Ca -0.20 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2fe0 h LYS 43 Cb 1.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2fe0 h LYS 43 CO 0.77 0.11 -0.17 0.87 -0.57 0.00 0.00 179.45 180.47 2fe0 h LYS 44 N 0.18 -0.27 0.00 3.15 1.57 -1.97 -3.17 116.57 116.05 2fe0 h LYS 44 Ca 0.34 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2fe0 h LYS 44 Cb 1.09 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2fe0 h LYS 44 CO -0.06 -0.18 -0.80 1.63 -0.57 0.00 0.00 179.45 179.47 2fe0 n LYS 45 N -3.37 0.07 -2.42 3.15 4.76 -1.01 -4.96 118.16 114.38 2fe0 n LYS 45 Ca -0.03 -0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.23 2fe0 n LYS 45 Cb 0.14 -1.52 -0.00 0.00 -1.84 0.00 0.00 35.03 31.81 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 -1.61 -1.82 -3.53 1.97 4.76 1.22 -4.27 118.16 114.88 2fe0 n LYS 46 Ca 0.04 0.84 -0.37 0.00 -2.87 0.00 0.00 58.31 55.95 2fe0 n LYS 46 Cb 0.36 -5.32 -0.08 0.00 -1.84 0.00 0.00 35.03 28.15 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 -4.97 4.19 0.18 1.97 -2.07 -1.19 -2.58 119.66 115.19 2fe0 s GLN 47 Ca 0.04 0.02 -0.16 0.00 -1.82 0.00 0.00 55.36 53.44 2fe0 s GLN 47 Cb -0.02 -3.48 -0.07 0.00 -1.09 0.00 0.00 33.01 28.34 2fe0 s GLN 47 CO 0.05 0.12 0.61 -1.58 -1.32 0.00 0.00 175.29 173.17 2fe0 s TRP 48 N 0.85 3.60 -0.02 9.60 0.52 0.19 -3.00 118.94 130.68 2fe0 s TRP 48 Ca 0.15 1.16 -0.05 0.00 0.02 0.00 0.00 56.10 57.38 2fe0 s TRP 48 Cb -0.13 -2.45 0.00 0.00 -1.15 0.00 0.00 33.47 29.74 2fe0 s TRP 48 CO 0.05 0.38 0.12 0.00 0.02 0.00 0.00 176.95 177.51 2fe0 s ALA 49 N -1.52 -0.27 -0.02 0.98 0.00 -0.30 -1.15 121.76 119.47 2fe0 s ALA 49 Ca 0.41 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.48 2fe0 s ALA 49 Cb -0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2fe0 s ALA 49 CO 0.20 -0.14 -0.23 0.71 0.00 0.00 0.00 175.76 176.30 2fe0 s TYR 50 N -0.73 2.07 -0.15 0.00 2.02 -1.19 -1.43 117.35 117.96 2fe0 s TYR 50 Ca -0.08 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2fe0 s TYR 50 Cb -0.05 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2fe0 s TYR 50 CO 0.01 -0.06 -0.16 -0.47 -1.57 0.00 0.00 175.55 173.30 2fe0 s TYR 51 N -0.46 2.26 -0.34 2.71 5.04 -1.25 -3.42 117.35 121.89 2fe0 s TYR 51 Ca 0.07 -1.25 -0.24 0.00 -2.44 0.00 0.00 57.07 53.21 2fe0 s TYR 51 Cb -0.10 -1.63 0.01 0.00 0.35 0.00 0.00 41.96 40.59 2fe0 s TYR 51 CO -0.00 -0.66 0.83 1.21 -1.34 0.00 0.00 175.55 175.59 2fe0 s ASN 52 N 1.34 6.64 -0.08 4.32 3.84 -1.25 -3.79 114.94 125.95 2fe0 s ASN 52 Ca 0.02 0.54 -0.04 0.00 0.21 0.00 0.00 52.86 53.60 2fe0 s ASN 52 Cb -0.13 -2.42 -0.27 0.00 -0.55 0.00 0.00 41.25 37.88 2fe0 s ASN 52 CO -0.09 -0.73 0.52 -0.78 -2.79 0.00 0.00 177.10 173.24 2fe0 h ASP 53 N 8.34 0.38 -2.41 -4.21 3.58 -1.87 -3.17 116.42 117.06 2fe0 h ASP 53 Ca -0.24 -0.75 -0.55 0.00 0.42 0.00 0.00 57.03 55.91 2fe0 h ASP 53 Cb 1.09 -0.12 0.04 0.00 1.72 0.00 0.00 39.33 42.06 2fe0 h ASP 53 CO 0.92 1.66 1.07 0.35 -2.88 0.00 0.00 179.24 180.36 2fe0 n THR 54 N -3.43 0.33 -0.72 2.25 -2.24 -1.26 -4.66 114.28 104.56 2fe0 n THR 54 Ca -0.26 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2fe0 n THR 54 Cb 1.05 -2.02 0.38 0.00 -2.10 0.00 0.00 70.33 67.65 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 4.57 2.20 0.00 4.28 -2.24 -1.26 -4.10 114.28 117.72 2fe0 n THR 55 Ca 0.18 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2fe0 n THR 55 Cb 0.35 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.96 3.22 -4.12 -0.78 0.00 -1.26 -5.05 117.38 110.35 2fe0 n GLN 56 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 57.12 2fe0 n GLN 56 Cb 1.02 -0.53 -0.12 0.00 0.00 0.00 0.00 30.24 30.61 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 -0.78 0.82 0.08 2.61 2.02 -1.26 -3.59 117.35 117.25 2fe0 s TYR 57 Ca 0.00 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 2fe0 s TYR 57 Cb 0.00 -0.48 -0.06 0.00 -0.40 0.00 0.00 41.96 41.02 2fe0 s TYR 57 CO 0.00 -0.04 0.43 -1.83 -1.57 0.00 0.00 175.55 172.55 2fe0 s GLU 58 N -1.43 3.84 -0.19 -0.62 -1.05 0.34 -4.65 118.70 114.95 2fe0 s GLU 58 Ca -0.06 0.29 -0.17 0.00 -0.15 0.00 0.00 54.97 54.88 2fe0 s GLU 58 Cb -0.09 -3.03 -0.04 0.00 -0.44 0.00 0.00 34.13 30.53 2fe0 s GLU 58 CO 0.01 0.57 0.45 -1.64 0.95 0.00 0.00 175.26 175.60 2fe0 s MET 59 N -1.75 4.21 -0.17 -4.83 -1.94 -1.02 -2.25 119.30 111.55 2fe0 s MET 59 Ca 0.32 0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 54.60 2fe0 s MET 59 Cb -0.15 -3.53 -0.01 0.00 2.01 0.00 0.00 34.83 33.15 2fe0 s MET 59 CO 0.17 -0.04 -0.08 -1.01 -0.01 0.00 0.00 175.02 174.05 2fe0 s HIS 60 N 1.29 2.90 -0.14 -0.03 3.76 -1.18 -1.40 115.29 120.50 2fe0 s HIS 60 Ca 0.22 -0.74 -0.03 0.00 -0.15 0.00 0.00 55.06 54.37 2fe0 s HIS 60 Cb -0.15 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 2fe0 s HIS 60 CO 0.09 -0.33 -0.04 0.08 -0.85 0.00 0.00 174.74 173.68 2fe0 s VAL 61 N 0.83 3.89 -0.34 -0.90 1.01 -0.93 -3.12 120.40 120.83 2fe0 s VAL 61 Ca -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2fe0 s VAL 61 Cb -0.15 -2.68 0.14 0.00 0.00 0.00 0.00 36.38 33.69 2fe0 s VAL 61 CO 0.01 0.52 0.28 -0.22 0.00 0.00 0.00 175.10 175.68 2fe0 s LEU 62 N 0.10 0.35 -0.12 3.92 2.96 -0.98 -2.64 118.68 122.28 2fe0 s LEU 62 Ca -0.01 -1.64 -0.01 0.00 -0.22 0.00 0.00 54.13 52.25 2fe0 s LEU 62 Cb -0.14 0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.64 2fe0 s LEU 62 CO 0.03 -0.32 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.95 2fe0 s VAL 63 N 1.52 3.39 -0.08 1.68 1.01 -1.21 -1.25 120.40 125.46 2fe0 s VAL 63 Ca 0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2fe0 s VAL 63 Cb -0.18 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2fe0 s VAL 63 CO -0.10 0.54 0.04 -0.89 0.00 0.00 0.00 175.10 174.69 2fe0 s THR 64 N 0.04 4.61 0.25 3.92 2.01 0.73 -3.26 115.64 123.94 2fe0 s THR 64 Ca -0.03 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.83 2fe0 s THR 64 Cb -0.14 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 2fe0 s THR 64 CO 0.04 0.56 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.09 2fe0 s PHE 65 N -0.97 1.81 0.29 4.92 0.40 -0.82 -1.46 117.98 122.14 2fe0 s PHE 65 Ca 0.15 -0.70 -0.09 0.00 -0.60 0.00 0.00 56.93 55.69 2fe0 s PHE 65 Cb -0.12 -0.98 -0.07 0.00 0.51 0.00 0.00 43.02 42.37 2fe0 s PHE 65 CO 0.05 0.25 0.61 1.21 0.70 0.00 0.00 175.22 178.03 2fe0 s ASN 66 N -3.38 6.56 0.30 1.36 2.47 -1.26 -1.35 114.94 119.64 2fe0 s ASN 66 Ca 0.27 0.93 0.02 0.00 0.42 0.00 0.00 52.86 54.50 2fe0 s ASN 66 Cb 0.03 -2.23 0.74 0.00 -1.45 0.00 0.00 41.25 38.33 2fe0 s ASN 66 CO 0.10 -0.19 1.61 -0.08 -3.72 0.00 0.00 177.10 174.82 2fe0 h GLU 67 N 1.99 0.09 -5.46 0.43 4.81 0.37 -3.19 114.58 113.63 2fe0 h GLU 67 Ca -0.47 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 58.45 2fe0 h GLU 67 Cb 1.18 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 2fe0 h GLU 67 CO 0.67 0.06 0.95 0.34 -0.73 0.00 0.00 179.01 180.30 2fe0 s ASP 68 N -5.03 4.90 -0.28 1.04 2.15 -1.26 -4.80 116.67 113.40 2fe0 s ASP 68 Ca -0.12 -1.51 -0.23 0.00 0.43 0.00 0.00 52.55 51.11 2fe0 s ASP 68 Cb 0.27 -2.59 0.10 0.00 -0.30 0.00 0.00 42.92 40.41 2fe0 s ASP 68 CO 0.77 -3.20 0.89 0.00 -0.17 0.00 0.00 175.17 173.47 2fe0 n ASP 70 N 2.72 7.43 -4.95 0.00 2.03 -1.19 -4.99 116.55 117.60 2fe0 n ASP 70 Ca -0.14 -3.81 -0.24 0.00 0.52 0.00 0.00 54.79 51.12 2fe0 n ASP 70 Cb 0.56 -1.07 -0.03 0.00 -0.72 0.00 0.00 41.12 39.86 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 -4.96 5.27 0.01 5.18 -4.36 -1.25 -2.61 121.20 118.47 2fe0 s ILE 71 Ca 0.50 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 60.04 2fe0 s ILE 71 Cb 0.40 -3.79 -0.00 0.00 1.25 0.00 0.00 42.46 40.32 2fe0 s ILE 71 CO -0.37 -0.21 0.01 2.29 0.24 0.00 0.00 174.94 176.90 2fe0 n LYS 72 N -0.98 0.01 -4.68 0.37 2.85 -0.24 -4.97 118.16 110.53 2fe0 n LYS 72 Ca -0.08 -0.11 -0.34 0.00 -1.05 0.00 0.00 58.31 56.73 2fe0 n LYS 72 Cb 0.56 0.09 -0.12 0.00 -0.65 0.00 0.00 35.03 34.91 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 -2.03 2.92 0.00 0.58 0.00 -1.26 -3.38 121.76 118.58 2fe0 s ALA 73 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2fe0 s ALA 73 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 2fe0 s ALA 73 CO 0.01 0.56 0.00 1.28 0.00 0.00 0.00 175.76 177.61 2fe0 n LEU 74 N 2.27 0.00 0.00 0.00 4.77 -0.90 -4.91 117.00 118.23 2fe0 n LEU 74 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2fe0 n LEU 74 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 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 4.10 -3.61 0.00 -0.72 0.00 -1.26 -4.64 105.19 99.07 2fe0 n GLY 75 Ca 0.00 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 0.36 -1.59 1.61 2.85 -1.26 -4.82 118.16 115.31 2fe0 n LYS 76 Ca 0.00 0.08 -0.59 0.00 -1.05 0.00 0.00 58.31 56.75 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 -1.20 0.17 -2.57 0.58 -1.04 -1.26 -4.85 114.28 104.10 2fe0 n THR 77 Ca 0.10 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.62 2fe0 n THR 77 Cb 0.12 -1.01 -0.02 0.00 -1.82 0.00 0.00 70.33 67.60 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 4.33 -0.11 -2.82 2.20 -1.16 -4.59 119.74 121.93 2fe0 s LYS 78 Ca 1.06 1.51 0.03 0.00 -0.36 0.00 0.00 55.97 58.20 2fe0 s LYS 78 Cb -1.21 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 31.49 2fe0 s LYS 78 CO 0.67 -0.49 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.80 2fe0 s LEU 79 N 2.61 2.37 -0.08 5.43 2.96 -1.26 -3.28 118.68 127.43 2fe0 s LEU 79 Ca 0.51 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.74 2fe0 s LEU 79 Cb -0.20 -1.49 0.05 0.00 0.50 0.00 0.00 46.19 45.05 2fe0 s LEU 79 CO 0.16 0.18 0.55 -0.70 -1.32 0.00 0.00 176.35 175.21 2fe0 s GLU 80 N 0.24 0.85 0.08 1.98 2.56 -1.01 -4.99 118.70 118.42 2fe0 s GLU 80 Ca -0.13 0.26 0.02 0.00 0.00 0.00 0.00 54.97 55.12 2fe0 s GLU 80 Cb -0.16 0.40 -0.04 0.00 2.00 0.00 0.00 34.13 36.33 2fe0 s GLU 80 CO 0.07 -0.23 0.14 -1.14 -0.56 0.00 0.00 175.26 173.54 2fe0 s GLN 81 N -0.87 3.12 0.43 4.30 0.74 -1.26 -0.34 119.66 125.78 2fe0 s GLN 81 Ca -0.09 -0.61 0.07 0.00 0.05 0.00 0.00 55.36 54.79 2fe0 s GLN 81 Cb -0.02 -2.85 -0.02 0.00 1.10 0.00 0.00 33.01 31.22 2fe0 s GLN 81 CO 0.06 0.57 0.36 -0.65 -0.55 0.00 0.00 175.29 175.09 2fe0 s GLN 82 N -2.54 2.46 0.25 1.67 -1.52 -0.02 -4.96 119.66 115.00 2fe0 s GLN 82 Ca 0.32 -1.62 -0.04 0.00 -1.95 0.00 0.00 55.36 52.06 2fe0 s GLN 82 Cb -0.12 -2.31 0.28 0.00 -0.22 0.00 0.00 33.01 30.64 2fe0 s GLN 82 CO 0.25 -0.24 1.79 1.49 -0.25 0.00 0.00 175.29 178.33 2fe0 h GLU 83 N 1.04 0.99 -0.15 2.91 4.81 -2.00 -1.89 114.58 120.29 2fe0 h GLU 83 Ca -0.41 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 58.66 2fe0 h GLU 83 Cb 1.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2fe0 h GLU 83 CO 0.59 0.86 0.19 -2.95 -0.73 0.00 0.00 179.01 176.97 2fe0 h ASN 84 N 0.95 0.00 -0.05 1.04 -0.00 -2.04 -3.45 115.58 112.03 2fe0 h ASN 84 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.51 2fe0 h ASN 84 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 2fe0 h ASN 84 CO -0.01 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.03 2fe0 n GLY 85 N -1.36 0.79 3.20 9.14 0.00 -0.71 -4.95 105.19 111.29 2fe0 n GLY 85 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.25 0.89 -0.16 1.61 2.02 -1.25 0.11 118.70 122.17 2fe0 s GLU 86 Ca 0.00 -1.11 -0.06 0.00 0.02 0.00 0.00 54.97 53.82 2fe0 s GLU 86 Cb 0.00 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 2fe0 s GLU 86 CO 0.00 0.15 0.03 -1.58 0.02 0.00 0.00 175.26 173.88 2fe0 s TRP 87 N -1.92 3.20 -0.17 1.61 0.52 -0.46 -0.84 118.94 120.88 2fe0 s TRP 87 Ca 0.04 0.02 -0.04 0.00 0.02 0.00 0.00 56.10 56.14 2fe0 s TRP 87 Cb -0.06 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 2fe0 s TRP 87 CO 0.02 0.19 -0.02 0.08 0.02 0.00 0.00 176.95 177.24 2fe0 s VAL 88 N 0.10 3.98 -0.28 4.03 1.01 0.54 -1.95 120.40 127.83 2fe0 s VAL 88 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2fe0 s VAL 88 Cb -0.13 -2.76 0.09 0.00 0.00 0.00 0.00 36.38 33.58 2fe0 s VAL 88 CO 0.01 0.47 0.10 0.00 0.00 0.00 0.00 175.10 175.68 2fe0 s ALA 89 N 0.52 1.15 0.04 5.51 0.00 -1.20 -2.40 121.76 125.38 2fe0 s ALA 89 Ca -0.02 -1.31 0.09 0.00 0.00 0.00 0.00 51.96 50.72 2fe0 s ALA 89 Cb -0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 2fe0 s ALA 89 CO 0.02 -1.57 -0.25 -1.54 0.00 0.00 0.00 175.76 172.42 2fe0 s SER 90 N 1.81 3.25 -0.23 0.00 1.04 -1.21 -3.31 113.70 115.05 2fe0 s SER 90 Ca 0.08 -0.56 -0.26 0.00 0.48 0.00 0.00 55.95 55.68 2fe0 s SER 90 Cb -0.17 -0.34 0.08 0.00 0.10 0.00 0.00 66.02 65.70 2fe0 s SER 90 CO -0.26 0.26 0.80 0.54 0.98 0.00 0.00 173.24 175.56 2fe0 s VAL 91 N -0.81 0.00 -0.15 5.02 0.11 -1.08 -3.00 120.40 120.48 2fe0 s VAL 91 Ca 0.12 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.11 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 0.05 -0.69 -3.33 0.00 0.00 175.10 171.15 2fe0 s VAL 92 N 0.04 4.71 -0.12 2.04 1.01 -1.26 -2.19 120.40 124.62 2fe0 s VAL 92 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2fe0 s VAL 92 Cb -0.04 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2fe0 s VAL 92 CO 0.01 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.78 2fe0 s VAL 93 N -0.03 2.95 0.35 2.92 1.01 -0.49 -5.02 120.40 122.09 2fe0 s VAL 93 Ca 0.06 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2fe0 s VAL 93 Cb -0.12 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2fe0 s VAL 93 CO 0.01 0.53 0.62 -0.31 0.00 0.00 0.00 175.10 175.96 2fe0 s TYR 94 N 0.27 3.49 0.71 5.22 2.02 -1.26 -2.44 117.35 125.36 2fe0 s TYR 94 Ca -0.10 0.68 -0.16 0.00 -0.37 0.00 0.00 57.07 57.12 2fe0 s TYR 94 Cb -0.16 -2.15 0.03 0.00 -0.40 0.00 0.00 41.96 39.28 2fe0 s TYR 94 CO 0.06 0.05 1.23 -2.14 -1.57 0.00 0.00 175.55 173.18 2fe0 s PRO 95 N -3.91 2.20 -1.99 -1.71 0.02 -1.26 -2.56 135.00 125.79 2fe0 s PRO 95 Ca 0.45 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2fe0 s PRO 95 Cb -0.10 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2fe0 s PRO 95 CO 0.33 -1.81 0.00 0.00 -0.33 0.00 0.00 177.00 175.19 2fe0 s GLU 97 N -3.59 0.35 -0.10 0.00 2.02 -1.06 -5.09 118.70 111.23 2fe0 s GLU 97 Ca 0.00 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.74 2fe0 s GLU 97 Cb 0.00 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.39 2fe0 s GLU 97 CO 0.00 -0.07 -0.13 0.99 0.02 0.00 0.00 175.26 176.06 2fe0 s THR 98 N -0.95 1.35 0.21 3.63 2.01 -1.26 -3.84 115.64 116.79 2fe0 s THR 98 Ca -0.10 -0.55 0.11 0.00 0.31 0.00 0.00 61.69 61.45 2fe0 s THR 98 Cb -0.06 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 2fe0 s THR 98 CO 0.01 0.41 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.54 2fe0 s GLU 99 N 1.04 1.67 0.50 4.92 2.02 -1.22 -5.02 118.70 122.61 2fe0 s GLU 99 Ca -0.06 -1.54 -0.16 0.00 0.02 0.00 0.00 54.97 53.23 2fe0 s GLU 99 Cb -0.15 -1.89 -0.08 0.00 0.10 0.00 0.00 34.13 32.12 2fe0 s GLU 99 CO -0.02 0.39 0.95 -1.64 0.02 0.00 0.00 175.26 174.96 2fe0 s MET 100 N -2.93 3.94 0.00 1.61 -1.94 -1.26 -3.14 119.30 115.58 2fe0 s MET 100 Ca 0.24 0.90 0.00 0.00 -1.71 0.00 0.00 55.69 55.12 2fe0 s MET 100 Cb -0.07 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.59 2fe0 s MET 100 CO 0.12 -0.23 0.00 0.34 -0.01 0.00 0.00 175.02 175.24 2fe0 n PHE 101 N -1.50 0.00 -4.26 -0.03 7.35 -0.30 -4.05 117.46 114.67 2fe0 n PHE 101 Ca 0.06 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.61 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 0.55 0.82 0.04 -2.13 -5.25 -1.25 -2.11 121.20 111.88 2fe0 s ILE 102 Ca 0.00 -2.00 -0.04 0.00 -0.99 0.00 0.00 60.65 57.62 2fe0 s ILE 102 Cb 0.00 -2.12 -0.02 0.00 2.95 0.00 0.00 42.46 43.28 2fe0 s ILE 102 CO 0.00 -0.49 0.06 -0.70 -1.79 0.00 0.00 174.94 172.02 2fe0 s GLU 103 N -3.88 0.59 0.00 0.37 2.12 -1.22 0.53 118.70 117.22 2fe0 s GLU 103 Ca 0.23 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.69 2fe0 s GLU 103 Cb 0.05 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.67 2fe0 s GLU 103 CO 0.04 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2fe0 n GLY 104 N 0.61 0.53 3.80 -1.50 0.00 -1.06 -1.07 105.19 106.49 2fe0 n GLY 104 Ca -0.18 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.55 3.94 -0.05 1.61 3.52 -1.07 -4.81 118.95 121.53 2fe0 s ARG 105 Ca 0.00 0.08 0.06 0.00 -0.13 0.00 0.00 55.73 55.74 2fe0 s ARG 105 Cb 0.00 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 2fe0 s ARG 105 CO 0.00 0.51 -0.24 0.08 -0.81 0.00 0.00 175.30 174.84 2fe0 s VAL 106 N -0.34 1.94 -0.16 7.11 1.01 -1.26 -3.18 120.40 125.52 2fe0 s VAL 106 Ca 0.17 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2fe0 s VAL 106 Cb -0.13 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 34.69 2fe0 s VAL 106 CO 0.06 0.54 0.27 0.54 0.00 0.00 0.00 175.10 176.51 2fe0 s ASN 107 N -0.20 0.55 -0.01 3.32 4.22 -1.26 -5.05 114.94 116.50 2fe0 s ASN 107 Ca -0.01 0.40 -0.02 0.00 -2.14 0.00 0.00 52.86 51.09 2fe0 s ASN 107 Cb -0.13 0.69 0.01 0.00 1.28 0.00 0.00 41.25 43.10 2fe0 s ASN 107 CO 0.03 -0.26 0.03 0.61 -2.04 0.00 0.00 177.10 175.47 2fe0 n GLY 108 N 5.35 -4.27 3.41 0.45 0.00 -1.26 -4.64 105.19 104.23 2fe0 n GLY 108 Ca -0.06 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.45 -0.23 -0.10 1.61 -0.71 -1.26 -4.14 117.98 112.69 2fe0 s PHE 109 Ca -0.04 -0.07 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 2fe0 s PHE 109 Cb 0.00 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.16 2fe0 s PHE 109 CO 0.10 -0.81 -0.16 0.15 -1.34 0.00 0.00 175.22 173.17 2fe0 s LYS 110 N -3.82 3.09 -0.09 1.99 1.02 -0.53 -4.98 119.74 116.41 2fe0 s LYS 110 Ca 0.05 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.33 2fe0 s LYS 110 Cb 0.00 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 2fe0 s LYS 110 CO -0.09 0.31 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.38 2fe0 s SER 111 N 0.08 3.84 -0.19 2.83 0.01 -1.26 -0.19 113.70 118.82 2fe0 s SER 111 Ca -0.07 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 2fe0 s SER 111 Cb -0.15 -1.23 0.06 0.00 0.21 0.00 0.00 66.02 64.91 2fe0 s SER 111 CO 0.05 0.24 0.04 -0.75 0.41 0.00 0.00 173.24 173.22 2fe0 s LYS 112 N -0.10 0.62 0.30 12.44 2.20 -0.38 -5.00 119.74 129.82 2fe0 s LYS 112 Ca -0.03 -0.38 0.10 0.00 -0.36 0.00 0.00 55.97 55.31 2fe0 s LYS 112 Cb -0.14 -2.05 -0.05 0.00 -1.51 0.00 0.00 37.83 34.08 2fe0 s LYS 112 CO 0.04 -0.63 -0.11 -1.64 -0.36 0.00 0.00 175.35 172.65 2fe0 s MET 113 N 1.88 1.88 0.30 4.03 -1.94 -1.26 -2.31 119.30 121.88 2fe0 s MET 113 Ca -0.00 -1.75 -0.14 0.00 -1.71 0.00 0.00 55.69 52.09 2fe0 s MET 113 Cb -0.17 -1.84 0.02 0.00 2.01 0.00 0.00 34.83 34.84 2fe0 s MET 113 CO -0.08 0.26 0.60 0.34 -0.01 0.00 0.00 175.02 176.13 2fe0 s ASP 114 N -3.60 0.07 -0.49 3.03 2.15 -1.18 -5.05 116.67 111.60 2fe0 s ASP 114 Ca 0.32 -1.00 0.03 0.00 0.43 0.00 0.00 52.55 52.33 2fe0 s ASP 114 Cb -0.03 0.69 0.14 0.00 -0.30 0.00 0.00 42.92 43.43 2fe0 s ASP 114 CO 0.17 -1.34 0.28 0.00 -0.17 0.00 0.00 175.17 174.11 2fe0 s ALA 115 N -3.45 2.66 0.29 3.66 0.00 -1.26 -3.12 121.76 120.54 2fe0 s ALA 115 Ca 0.20 -2.94 -0.11 0.00 0.00 0.00 0.00 51.96 49.11 2fe0 s ALA 115 Cb -0.03 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 2fe0 s ALA 115 CO 0.11 -2.05 0.64 -0.51 0.00 0.00 0.00 175.76 173.95 2fe0 s LEU 116 N -0.06 4.07 0.29 0.00 1.43 -0.96 -4.84 118.68 118.62 2fe0 s LEU 116 Ca 0.19 1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 54.05 2fe0 s LEU 116 Cb -0.21 -3.85 -0.10 0.00 0.03 0.00 0.00 46.19 42.06 2fe0 s LEU 116 CO -0.03 -0.18 1.21 -2.16 0.23 0.00 0.00 176.35 175.43 2fe0 s PRO 117 N -3.09 4.49 -0.87 1.29 0.04 -1.26 0.13 135.00 135.72 2fe0 s PRO 117 Ca 0.50 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 63.28 2fe0 s PRO 117 Cb -0.11 -3.14 -0.20 0.00 0.04 0.00 0.00 34.50 31.10 2fe0 s PRO 117 CO 0.22 -0.01 2.55 1.28 0.04 0.00 0.00 177.00 181.09 2fe0 n LEU 118 N 1.15 0.63 -4.58 -3.56 4.77 -1.24 -4.63 117.00 109.55 2fe0 n LEU 118 Ca 0.00 -0.16 -0.28 0.00 -0.03 0.00 0.00 56.01 55.54 2fe0 n LEU 118 Cb 0.43 -1.07 0.22 0.00 -2.33 0.00 0.00 43.42 40.67 2fe0 n LEU 118 CO 0.57 -1.11 0.58 -0.44 -1.33 0.00 0.00 177.39 175.66 2fe0 s SER 119 N 8.79 1.72 0.56 -1.43 0.01 -1.26 -4.75 113.70 117.34 2fe0 s SER 119 Ca 1.24 1.38 0.31 0.00 1.31 0.00 0.00 55.95 60.19 2fe0 s SER 119 Cb -0.90 -2.10 1.46 0.00 0.21 0.00 0.00 66.02 64.69 2fe0 s SER 119 CO 0.43 -3.72 1.87 1.05 0.41 0.00 0.00 173.24 173.28 2fe0 h GLU 120 N -2.29 0.00 -0.55 12.44 4.11 -2.02 0.44 114.58 126.71 2fe0 h GLU 120 Ca -0.58 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.85 2fe0 h GLU 120 Cb 1.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2fe0 h GLU 120 CO 0.53 0.00 0.34 0.93 0.07 0.00 0.00 179.01 180.88 2fe0 h GLU 121 N 0.00 0.73 -0.84 1.06 5.08 -1.98 -1.92 114.58 116.72 2fe0 h GLU 121 Ca 0.36 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2fe0 h GLU 121 Cb 1.59 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 2fe0 h GLU 121 CO -0.00 0.50 0.55 -0.92 -1.00 0.00 0.00 179.01 178.14 2fe0 h TYR 122 N 0.75 1.03 -0.94 4.33 3.20 -0.40 -1.03 116.97 123.90 2fe0 h TYR 122 Ca 0.20 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.13 2fe0 h TYR 122 Cb -0.05 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 37.82 2fe0 h TYR 122 CO 0.00 0.62 0.62 0.00 -1.64 0.00 0.00 178.16 177.76 2fe0 h ARG 123 N 1.09 1.16 -0.37 1.82 3.08 -1.41 -1.59 114.38 118.17 2fe0 h ARG 123 Ca 0.32 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.19 2fe0 h ARG 123 Cb -0.07 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.71 2fe0 h ARG 123 CO -0.09 0.77 -0.21 1.96 -1.07 0.00 0.00 179.97 181.33 2fe0 h GLN 124 N 1.20 0.71 -0.02 0.04 1.08 -1.21 -2.41 115.11 114.50 2fe0 h GLN 124 Ca 0.37 -0.27 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2fe0 h GLN 124 Cb -0.01 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2fe0 h GLN 124 CO -0.12 0.87 0.06 1.25 -0.95 0.00 0.00 178.83 179.94 2fe0 h HIS 125 N 0.62 0.00 0.00 2.96 -0.00 -0.20 0.16 115.15 118.69 2fe0 h HIS 125 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.35 2fe0 h HIS 125 Cb 0.70 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 2fe0 h HIS 125 CO 0.03 0.00 -0.54 1.96 -0.00 0.00 0.00 177.93 179.38 2fe0 h GLN 126 N 0.00 0.00 0.00 5.26 4.20 -1.19 -3.15 115.11 120.24 2fe0 h GLN 126 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2fe0 h GLN 126 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2fe0 h GLN 126 CO -0.00 0.54 -0.08 0.00 -0.67 0.00 0.00 178.83 178.63 2fe0 h ALA 127 N 1.46 0.01 -1.05 3.87 0.00 -0.77 0.88 119.26 123.66 2fe0 h ALA 127 Ca -0.01 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.01 2fe0 h ALA 127 Cb 1.20 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2fe0 h ALA 127 CO 0.07 0.06 0.64 1.05 0.00 0.00 0.00 179.25 181.07 2fe0 h GLU 128 N -1.00 0.39 -0.00 0.00 4.11 -1.58 2.25 114.58 118.75 2fe0 h GLU 128 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2fe0 h GLU 128 Cb 0.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2fe0 h GLU 128 CO -0.01 0.26 -0.23 0.36 0.07 0.00 0.00 179.01 179.46 2fe0 n LYS 129 N -4.85 0.47 -3.73 1.06 2.85 -1.19 -4.94 118.16 107.84 2fe0 n LYS 129 Ca 0.29 -0.22 -0.24 0.00 -1.05 0.00 0.00 58.31 57.10 2fe0 n LYS 129 Cb 0.93 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.86 2fe0 n LYS 129 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2fe0 n ASP 130 N -1.07 -3.03 0.00 -5.58 8.00 0.76 -5.08 116.55 110.55 2fe0 n ASP 130 Ca 0.11 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.86 2fe0 n ASP 130 Cb 0.32 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 2fe0 n ASP 130 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98