#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 h GLY 2 N 0.00 0.51 -6.66 3.03 0.00 -2.10 -3.45 103.07 94.40 2fe0 h GLY 2 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 47.33 46.66 2fe0 h GLY 2 CO 0.00 0.06 -0.92 0.00 0.00 0.00 0.00 176.54 175.68 2fe0 h GLY 4 N -1.87 0.23 -3.59 0.00 0.00 -2.09 -3.42 103.07 92.32 2fe0 h GLY 4 Ca -0.65 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 2fe0 h GLY 4 CO 0.63 0.02 -0.45 0.00 0.00 0.00 0.00 176.54 176.74 2fe0 s ALA 5 N -5.15 -0.13 0.39 3.60 0.00 -1.26 -5.14 121.76 114.07 2fe0 s ALA 5 Ca -0.06 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.05 2fe0 s ALA 5 Cb 0.20 0.35 -0.09 0.00 0.00 0.00 0.00 23.12 23.58 2fe0 s ALA 5 CO 0.74 -0.41 1.23 0.45 0.00 0.00 0.00 175.76 177.77 2fe0 s SER 6 N -2.48 6.51 0.74 0.00 0.15 -1.26 -5.01 113.70 112.35 2fe0 s SER 6 Ca 0.00 2.48 -0.11 0.00 0.70 0.00 0.00 55.95 59.02 2fe0 s SER 6 Cb 0.02 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2fe0 s SER 6 CO -0.07 -0.69 1.08 -0.94 1.20 0.00 0.00 173.24 173.81 2fe0 s SER 7 N -0.91 5.03 0.30 5.45 1.04 -1.26 -5.05 113.70 118.28 2fe0 s SER 7 Ca 0.55 1.39 -0.04 0.00 0.48 0.00 0.00 55.95 58.34 2fe0 s SER 7 Cb -0.34 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 2fe0 s SER 7 CO 0.44 -1.64 0.55 -1.61 0.98 0.00 0.00 173.24 171.96 2fe0 s GLU 8 N -5.15 3.61 -1.37 4.02 2.02 -1.26 -4.00 118.70 116.58 2fe0 s GLU 8 Ca 0.59 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 55.48 2fe0 s GLU 8 Cb -0.14 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.47 2fe0 s GLU 8 CO 0.54 0.20 0.96 0.09 0.02 0.00 0.00 175.26 177.08 2fe0 n ASN 9 N -1.04 -3.71 0.00 -0.19 3.02 -1.26 -4.73 115.26 107.34 2fe0 n ASN 9 Ca -0.02 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 2fe0 n ASN 9 Cb 0.54 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 2fe0 n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2fe0 n SER 10 N -3.00 0.00 -3.55 6.41 2.88 -1.26 -5.14 113.62 109.96 2fe0 n SER 10 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2fe0 n SER 10 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2fe0 n SER 10 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2fe0 n SER 11 N -0.34 0.00 -4.00 -3.46 2.88 -1.26 -5.07 113.62 102.37 2fe0 n SER 11 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 2fe0 n SER 11 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2fe0 s VAL 12 N 0.00 0.58 0.09 2.46 1.01 -1.26 -5.04 120.40 118.24 2fe0 s VAL 12 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2fe0 s VAL 12 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2fe0 s VAL 12 CO 0.00 0.16 -0.09 0.28 0.00 0.00 0.00 175.10 175.44 2fe0 s THR 13 N -0.19 0.87 0.28 3.92 -1.32 -1.26 -5.17 115.64 112.77 2fe0 s THR 13 Ca 0.03 -1.64 0.05 0.00 -1.21 0.00 0.00 61.69 58.91 2fe0 s THR 13 Cb -0.03 -1.35 -0.06 0.00 -1.51 0.00 0.00 72.50 69.55 2fe0 s THR 13 CO -0.00 -0.60 -0.01 -0.31 -2.21 0.00 0.00 174.62 171.50 2fe0 s TYR 14 N -2.54 1.83 0.21 9.09 1.51 -1.26 -5.01 117.35 121.18 2fe0 s TYR 14 Ca 0.05 -0.84 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 2fe0 s TYR 14 Cb -0.02 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 2fe0 s TYR 14 CO -0.01 0.10 0.00 1.55 -1.11 0.00 0.00 175.55 176.08 2fe0 n VAL 15 N -0.56 0.04 0.21 0.71 3.14 -1.26 -4.86 118.33 115.75 2fe0 n VAL 15 Ca -0.04 0.01 0.08 0.00 -2.96 0.00 0.00 64.34 61.42 2fe0 n VAL 15 Cb 0.64 -0.55 0.46 0.00 -1.06 0.00 0.00 33.84 33.34 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 -0.68 6.55 2.35 -1.98 -3.48 115.58 118.34 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 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2fe0 h ASN 16 CO 0.00 0.29 0.00 0.61 -1.65 0.00 0.00 177.43 176.68 2fe0 n GLY 17 N -0.14 -2.11 3.73 2.83 0.00 -1.26 -5.06 105.19 103.18 2fe0 n GLY 17 Ca -0.01 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.85 3.12 0.42 1.61 1.81 -1.26 -4.83 118.95 117.96 2fe0 s ARG 18 Ca 0.00 -0.33 -0.23 0.00 -1.72 0.00 0.00 55.73 53.45 2fe0 s ARG 18 Cb 0.00 -2.90 -0.12 0.00 -0.45 0.00 0.00 34.95 31.47 2fe0 s ARG 18 CO 0.00 0.71 0.60 -2.30 -0.68 0.00 0.00 175.30 173.64 2fe0 n PRO 19 N 2.13 0.65 0.09 3.54 -0.02 -1.26 -4.90 135.00 135.23 2fe0 n PRO 19 Ca -0.19 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.45 2fe0 n PRO 19 Cb 0.54 -1.57 0.01 0.00 -0.02 0.00 0.00 33.50 32.46 2fe0 n PRO 19 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2fe0 h THR 20 N 0.87 1.50 -3.14 3.45 2.02 -1.93 -3.44 112.91 112.24 2fe0 h THR 20 Ca -0.41 -2.60 -0.59 0.00 0.77 0.00 0.00 66.41 63.58 2fe0 h THR 20 Cb 1.39 2.44 -0.05 0.00 -1.74 0.00 0.00 68.15 70.19 2fe0 h THR 20 CO 0.52 0.75 -0.13 0.12 0.37 0.00 0.00 175.52 177.16 2fe0 s PHE 21 N -3.24 3.73 0.23 3.16 5.36 -1.26 -5.08 117.98 120.88 2fe0 s PHE 21 Ca -0.02 1.09 0.07 0.00 -0.96 0.00 0.00 56.93 57.10 2fe0 s PHE 21 Cb 0.10 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 2fe0 s PHE 21 CO 0.82 0.56 0.17 0.14 -1.46 0.00 0.00 175.22 175.45 2fe0 s VAL 22 N -0.85 4.42 0.00 3.12 -7.23 -1.26 -5.09 120.40 113.51 2fe0 s VAL 22 Ca 0.26 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2fe0 s VAL 22 Cb -0.18 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.41 2fe0 s VAL 22 CO 0.15 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2fe0 n GLY 23 N -0.97 3.28 2.02 2.32 0.00 -1.26 -4.88 105.19 105.70 2fe0 n GLY 23 Ca -0.08 -0.06 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 -3.10 1.61 4.07 -0.85 -4.92 120.64 117.45 2fe0 n GLU 24 Ca 0.00 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.70 2fe0 n GLU 24 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2fe0 s GLU 25 N -1.34 4.34 -0.08 5.31 2.56 -0.80 -4.95 118.70 123.74 2fe0 s GLU 25 Ca 0.00 0.74 0.04 0.00 0.00 0.00 0.00 54.97 55.75 2fe0 s GLU 25 Cb 0.00 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.64 2fe0 s GLU 25 CO 0.00 -0.04 -0.21 0.08 -0.56 0.00 0.00 175.26 174.54 2fe0 s VAL 26 N 1.19 1.76 0.01 3.70 1.01 -1.26 -1.35 120.40 125.47 2fe0 s VAL 26 Ca 0.33 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2fe0 s VAL 26 Cb -0.17 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2fe0 s VAL 26 CO 0.14 0.50 -0.06 -0.89 0.00 0.00 0.00 175.10 174.78 2fe0 s THR 27 N 0.29 0.48 0.07 3.92 2.01 -0.44 -4.94 115.64 117.03 2fe0 s THR 27 Ca -0.14 -0.53 -0.26 0.00 0.31 0.00 0.00 61.69 61.07 2fe0 s THR 27 Cb -0.16 -0.46 -0.06 0.00 0.01 0.00 0.00 72.50 71.84 2fe0 s THR 27 CO 0.06 -0.05 0.80 -1.59 -0.69 0.00 0.00 174.62 173.15 2fe0 s LYS 28 N -0.64 4.54 -0.09 4.92 -2.85 -1.26 0.28 119.74 124.64 2fe0 s LYS 28 Ca -0.02 1.15 -0.08 0.00 -1.00 0.00 0.00 55.97 56.02 2fe0 s LYS 28 Cb -0.05 -3.35 -0.06 0.00 -2.06 0.00 0.00 37.83 32.31 2fe0 s LYS 28 CO 0.00 0.30 0.29 0.78 0.10 0.00 0.00 175.35 176.82 2fe0 h GLY 29 N 5.50 -0.14 -4.74 0.59 0.00 -1.30 -3.45 103.07 99.53 2fe0 h GLY 29 Ca -0.44 0.05 -0.56 0.00 0.00 0.00 0.00 47.33 46.39 2fe0 h GLY 29 CO 0.71 -0.05 0.07 -1.36 0.00 0.00 0.00 176.54 175.91 2fe0 s PHE 30 N -2.16 3.70 -1.56 5.60 0.08 -1.22 -4.94 117.98 117.49 2fe0 s PHE 30 Ca -0.05 1.33 0.30 0.00 0.12 0.00 0.00 56.93 58.64 2fe0 s PHE 30 Cb -0.00 -2.72 1.46 0.00 -0.57 0.00 0.00 43.02 41.19 2fe0 s PHE 30 CO 0.16 0.30 2.00 -0.85 -0.10 0.00 0.00 175.22 176.74 2fe0 n GLU 31 N 2.81 0.57 -4.00 0.44 -0.00 -1.26 -4.15 120.64 115.05 2fe0 n GLU 31 Ca -0.04 -0.08 -0.21 0.00 -0.00 0.00 0.00 57.16 56.82 2fe0 n GLU 31 Cb 0.51 -1.50 -0.03 0.00 -0.00 0.00 0.00 31.44 30.42 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2fe0 s LYS 32 N -2.48 3.19 2.30 3.44 2.20 -1.26 -4.88 119.74 122.24 2fe0 s LYS 32 Ca 0.31 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 2fe0 s LYS 32 Cb 0.20 -2.74 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 2fe0 s LYS 32 CO 0.46 0.39 0.00 -0.25 -0.36 0.00 0.00 175.35 175.59 2fe0 n ASP 33 N -1.32 -3.31 -1.69 1.43 8.00 -1.26 -2.68 116.55 115.71 2fe0 n ASP 33 Ca -0.08 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.39 2fe0 n ASP 33 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 2fe0 n ASP 33 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2fe0 n ASN 34 N -3.15 4.96 0.00 -2.24 4.05 -1.26 -4.68 115.26 112.95 2fe0 n ASN 34 Ca 0.00 -2.35 0.00 0.00 0.45 0.00 0.00 54.58 52.68 2fe0 n ASN 34 Cb 0.00 -1.14 0.00 0.00 1.23 0.00 0.00 39.78 39.87 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2fe0 n GLY 35 N 1.85 1.71 5.06 8.20 0.00 -1.09 -4.72 105.19 116.19 2fe0 n GLY 35 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.65 0.99 4.77 -1.26 -3.42 117.00 113.43 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 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2fe0 n LEU 36 CO 0.00 0.00 -0.25 -0.22 -1.33 0.00 0.00 177.39 175.59 2fe0 s LEU 37 N 0.00 3.82 -0.16 2.23 2.96 -1.26 -3.45 118.68 122.81 2fe0 s LEU 37 Ca 0.00 0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2fe0 s LEU 37 Cb 0.00 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2fe0 s LEU 37 CO 0.00 0.20 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.83 2fe0 s PHE 38 N 0.20 3.01 -0.43 5.38 0.08 -1.25 -1.11 117.98 123.85 2fe0 s PHE 38 Ca 0.04 -0.36 -0.27 0.00 0.12 0.00 0.00 56.93 56.46 2fe0 s PHE 38 Cb -0.12 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 2fe0 s PHE 38 CO 0.00 -0.09 1.01 0.50 -0.10 0.00 0.00 175.22 176.54 2fe0 s ARG 39 N 0.48 3.71 -0.19 0.44 3.52 0.78 -3.79 118.95 123.91 2fe0 s ARG 39 Ca -0.03 0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 55.90 2fe0 s ARG 39 Cb -0.14 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 2fe0 s ARG 39 CO 0.03 -1.19 0.26 0.42 -0.81 0.00 0.00 175.30 174.01 2fe0 s ILE 40 N 3.92 5.31 -0.05 4.11 1.01 -0.19 -1.33 121.20 133.98 2fe0 s ILE 40 Ca 0.42 0.45 0.01 0.00 0.00 0.00 0.00 60.65 61.53 2fe0 s ILE 40 Cb -0.10 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.79 2fe0 s ILE 40 CO 0.26 0.36 -0.07 -0.69 0.00 0.00 0.00 174.94 174.80 2fe0 s VAL 41 N 0.75 0.72 -0.43 2.92 1.01 -0.46 -0.54 120.40 124.37 2fe0 s VAL 41 Ca 0.14 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 2fe0 s VAL 41 Cb -0.13 -0.71 0.10 0.00 0.00 0.00 0.00 36.38 35.64 2fe0 s VAL 41 CO 0.04 0.27 0.27 0.21 0.00 0.00 0.00 175.10 175.89 2fe0 s ASN 42 N 0.86 5.53 0.49 3.32 3.04 -1.14 -1.90 114.94 125.15 2fe0 s ASN 42 Ca -0.12 -1.81 0.21 0.00 0.04 0.00 0.00 52.86 51.18 2fe0 s ASN 42 Cb -0.15 -1.94 1.26 0.00 -1.54 0.00 0.00 41.25 38.88 2fe0 s ASN 42 CO 0.01 -0.60 1.99 0.11 -3.04 0.00 0.00 177.10 175.57 2fe0 h LYS 43 N 8.31 0.15 0.33 0.43 1.57 -1.94 3.28 116.57 128.70 2fe0 h LYS 43 Ca -0.19 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2fe0 h LYS 43 Cb 1.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2fe0 h LYS 43 CO 0.78 0.10 -0.24 0.87 -0.57 0.00 0.00 179.45 180.38 2fe0 h LYS 44 N 0.15 -0.53 -0.01 3.15 1.57 -1.98 -3.14 116.57 115.78 2fe0 h LYS 44 Ca 0.27 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2fe0 h LYS 44 Cb 0.85 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2fe0 h LYS 44 CO -0.04 -0.35 -0.35 1.63 -0.57 0.00 0.00 179.45 179.77 2fe0 n LYS 45 N -3.82 0.75 -3.78 3.15 4.76 -1.03 -4.95 118.16 113.24 2fe0 n LYS 45 Ca -0.07 -0.48 -0.29 0.00 -2.87 0.00 0.00 58.31 54.61 2fe0 n LYS 45 Cb 0.24 -1.49 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 -0.71 -5.69 -4.22 1.97 4.76 1.09 -4.54 118.16 110.83 2fe0 n LYS 46 Ca 0.11 0.64 -0.34 0.00 -2.87 0.00 0.00 58.31 55.84 2fe0 n LYS 46 Cb 0.36 -5.54 -0.12 0.00 -1.84 0.00 0.00 35.03 27.89 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 -6.49 3.63 0.32 1.97 -2.07 -1.15 -1.44 119.66 114.43 2fe0 s GLN 47 Ca 0.62 -0.52 -0.18 0.00 -1.82 0.00 0.00 55.36 53.46 2fe0 s GLN 47 Cb -0.31 -3.00 -0.09 0.00 -1.09 0.00 0.00 33.01 28.52 2fe0 s GLN 47 CO 0.77 0.11 0.79 -1.58 -1.32 0.00 0.00 175.29 174.05 2fe0 s TRP 48 N 0.72 3.45 -0.01 9.60 0.52 0.37 -2.86 118.94 130.74 2fe0 s TRP 48 Ca -0.01 1.37 -0.13 0.00 0.02 0.00 0.00 56.10 57.35 2fe0 s TRP 48 Cb -0.14 -2.64 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 2fe0 s TRP 48 CO 0.02 0.13 0.27 0.00 0.02 0.00 0.00 176.95 177.39 2fe0 s ALA 49 N -1.88 -0.67 -0.01 0.98 0.00 0.30 -1.48 121.76 119.01 2fe0 s ALA 49 Ca 0.52 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.73 2fe0 s ALA 49 Cb -0.12 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2fe0 s ALA 49 CO 0.18 -0.25 -0.16 0.71 0.00 0.00 0.00 175.76 176.24 2fe0 s TYR 50 N -1.39 1.40 -0.11 0.00 2.02 -1.22 -1.02 117.35 117.03 2fe0 s TYR 50 Ca -0.14 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2fe0 s TYR 50 Cb -0.06 -0.90 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 2fe0 s TYR 50 CO 0.03 -0.02 -0.13 -0.47 -1.57 0.00 0.00 175.55 173.39 2fe0 s TYR 51 N -0.39 1.84 -0.37 2.71 5.04 -1.25 -3.44 117.35 121.49 2fe0 s TYR 51 Ca 0.06 -0.89 -0.23 0.00 -2.44 0.00 0.00 57.07 53.56 2fe0 s TYR 51 Cb -0.06 -1.37 0.01 0.00 0.35 0.00 0.00 41.96 40.89 2fe0 s TYR 51 CO -0.00 -0.50 0.80 1.21 -1.34 0.00 0.00 175.55 175.72 2fe0 s ASN 52 N 1.19 6.56 -0.04 4.32 3.84 -1.24 -3.83 114.94 125.75 2fe0 s ASN 52 Ca -0.03 0.36 -0.02 0.00 0.21 0.00 0.00 52.86 53.38 2fe0 s ASN 52 Cb -0.14 -2.40 -0.27 0.00 -0.55 0.00 0.00 41.25 37.89 2fe0 s ASN 52 CO -0.04 -0.76 0.70 -0.78 -2.79 0.00 0.00 177.10 173.43 2fe0 h ASP 53 N 8.50 0.35 -3.14 -4.21 3.58 -1.92 -2.96 116.42 116.63 2fe0 h ASP 53 Ca -0.25 -0.59 -0.53 0.00 0.42 0.00 0.00 57.03 56.09 2fe0 h ASP 53 Cb 1.09 -0.12 0.07 0.00 1.72 0.00 0.00 39.33 42.09 2fe0 h ASP 53 CO 0.92 1.50 0.88 0.42 -2.88 0.00 0.00 179.24 180.09 2fe0 s THR 54 N -2.60 2.28 -1.82 2.25 -4.23 -1.26 -4.71 115.64 105.55 2fe0 s THR 54 Ca -0.12 0.22 0.19 0.00 -1.18 0.00 0.00 61.69 60.80 2fe0 s THR 54 Cb 0.07 -3.14 0.47 0.00 1.34 0.00 0.00 72.50 71.24 2fe0 s THR 54 CO 0.83 0.03 1.39 0.35 -0.54 0.00 0.00 174.62 176.68 2fe0 n THR 55 N 2.82 0.80 -0.06 3.99 -2.24 -1.26 -4.37 114.28 113.97 2fe0 n THR 55 Ca 0.10 -0.90 -0.09 0.00 -2.27 0.00 0.00 64.05 60.89 2fe0 n THR 55 Cb 0.38 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.28 0.28 -4.30 -0.78 7.27 -1.26 -5.03 117.38 114.83 2fe0 n GLN 56 Ca 0.19 0.08 -0.30 0.00 0.07 0.00 0.00 57.00 57.04 2fe0 n GLN 56 Cb 0.55 -1.16 -0.11 0.00 2.41 0.00 0.00 30.24 31.93 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 -2.22 2.60 0.18 3.69 2.02 -1.26 -3.17 117.35 119.18 2fe0 s TYR 57 Ca -0.16 -0.23 -0.10 0.00 -0.37 0.00 0.00 57.07 56.22 2fe0 s TYR 57 Cb 0.04 -1.38 -0.07 0.00 -0.40 0.00 0.00 41.96 40.16 2fe0 s TYR 57 CO 0.25 0.39 0.50 -1.83 -1.57 0.00 0.00 175.55 173.29 2fe0 s GLU 58 N -2.12 3.79 -0.25 -0.62 -1.05 0.37 -4.67 118.70 114.15 2fe0 s GLU 58 Ca 0.19 0.23 -0.15 0.00 -0.15 0.00 0.00 54.97 55.09 2fe0 s GLU 58 Cb -0.11 -2.78 -0.04 0.00 -0.44 0.00 0.00 34.13 30.77 2fe0 s GLU 58 CO 0.11 0.41 0.39 -1.64 0.95 0.00 0.00 175.26 175.47 2fe0 s MET 59 N -2.52 4.06 -0.25 -4.83 -1.94 -1.11 -2.01 119.30 110.71 2fe0 s MET 59 Ca 0.43 0.09 -0.05 0.00 -1.71 0.00 0.00 55.69 54.45 2fe0 s MET 59 Cb -0.12 -3.63 -0.00 0.00 2.01 0.00 0.00 34.83 33.09 2fe0 s MET 59 CO 0.21 -0.22 -0.00 -1.01 -0.01 0.00 0.00 175.02 173.99 2fe0 s HIS 60 N 1.89 3.03 -0.17 -0.03 3.76 -1.12 -1.51 115.29 121.15 2fe0 s HIS 60 Ca 0.16 -0.96 -0.08 0.00 -0.15 0.00 0.00 55.06 54.04 2fe0 s HIS 60 Cb -0.15 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2fe0 s HIS 60 CO 0.09 -0.55 0.10 0.08 -0.85 0.00 0.00 174.74 173.61 2fe0 s VAL 61 N 1.48 5.17 -0.35 -0.90 1.01 -0.96 -2.91 120.40 122.94 2fe0 s VAL 61 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.13 2fe0 s VAL 61 Cb -0.15 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.05 2fe0 s VAL 61 CO -0.01 0.50 0.26 -0.22 0.00 0.00 0.00 175.10 175.63 2fe0 s LEU 62 N -0.07 0.57 -0.13 3.92 2.96 -0.28 -2.55 118.68 123.11 2fe0 s LEU 62 Ca 0.09 -1.89 -0.02 0.00 -0.22 0.00 0.00 54.13 52.08 2fe0 s LEU 62 Cb -0.12 -0.06 -0.03 0.00 0.50 0.00 0.00 46.19 46.49 2fe0 s LEU 62 CO 0.00 -0.30 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.98 2fe0 s VAL 63 N 1.29 3.67 -0.13 1.68 1.01 -1.19 -1.07 120.40 125.65 2fe0 s VAL 63 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2fe0 s VAL 63 Cb -0.20 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2fe0 s VAL 63 CO -0.04 0.53 -0.05 -0.89 0.00 0.00 0.00 175.10 174.64 2fe0 s THR 64 N 0.08 3.76 0.27 3.92 2.01 0.12 -2.83 115.64 122.96 2fe0 s THR 64 Ca -0.02 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 61.67 2fe0 s THR 64 Cb -0.14 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2fe0 s THR 64 CO 0.03 0.52 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.04 2fe0 s PHE 65 N 0.08 2.54 0.58 4.92 0.40 -0.15 -0.44 117.98 125.90 2fe0 s PHE 65 Ca -0.01 -0.26 -0.14 0.00 -0.60 0.00 0.00 56.93 55.91 2fe0 s PHE 65 Cb -0.14 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.22 2fe0 s PHE 65 CO 0.03 0.65 1.02 1.21 0.70 0.00 0.00 175.22 178.83 2fe0 s ASN 66 N -3.58 6.30 0.18 1.36 2.47 -1.24 -0.51 114.94 119.92 2fe0 s ASN 66 Ca 0.31 1.54 -0.17 0.00 0.42 0.00 0.00 52.86 54.96 2fe0 s ASN 66 Cb -0.06 -2.50 0.14 0.00 -1.45 0.00 0.00 41.25 37.39 2fe0 s ASN 66 CO 0.18 -0.82 1.64 -0.08 -3.72 0.00 0.00 177.10 174.30 2fe0 h GLU 67 N 0.27 -0.06 -4.61 0.43 4.81 -1.74 -3.08 114.58 110.60 2fe0 h GLU 67 Ca -0.45 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.16 2fe0 h GLU 67 Cb 1.19 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2fe0 h GLU 67 CO 0.61 -0.04 2.31 -0.40 -0.73 0.00 0.00 179.01 180.76 2fe0 n ASP 68 N -5.38 3.07 -3.47 1.04 5.68 -1.26 -4.76 116.55 111.48 2fe0 n ASP 68 Ca 0.04 -2.74 -0.06 0.00 -0.50 0.00 0.00 54.79 51.53 2fe0 n ASP 68 Cb 0.29 -1.37 -0.07 0.00 -1.14 0.00 0.00 41.12 38.83 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fe0 s ASP 70 N 2.66 5.95 0.21 0.00 2.15 -1.21 -4.91 116.67 121.52 2fe0 s ASP 70 Ca 0.07 -1.84 0.07 0.00 0.43 0.00 0.00 52.55 51.27 2fe0 s ASP 70 Cb -0.14 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 2fe0 s ASP 70 CO -0.16 -2.08 -0.12 0.27 -0.17 0.00 0.00 175.17 172.92 2fe0 s ILE 71 N 7.43 1.60 0.10 4.11 -4.36 -1.25 0.18 121.20 129.00 2fe0 s ILE 71 Ca 0.60 -2.17 -0.10 0.00 -0.26 0.00 0.00 60.65 58.72 2fe0 s ILE 71 Cb 0.01 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.63 2fe0 s ILE 71 CO 0.07 -0.56 0.23 -0.75 0.24 0.00 0.00 174.94 174.17 2fe0 s LYS 72 N -3.68 0.90 0.38 0.37 2.20 -0.41 -4.97 119.74 114.52 2fe0 s LYS 72 Ca 0.23 -0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 54.81 2fe0 s LYS 72 Cb 0.01 0.37 -0.07 0.00 -1.51 0.00 0.00 37.83 36.63 2fe0 s LYS 72 CO 0.07 -0.30 0.75 0.00 -0.36 0.00 0.00 175.35 175.51 2fe0 s ALA 73 N -3.85 3.35 0.00 3.13 0.00 -1.26 -1.36 121.76 121.77 2fe0 s ALA 73 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2fe0 s ALA 73 Cb 0.04 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2fe0 s ALA 73 CO -0.11 0.08 0.00 1.28 0.00 0.00 0.00 175.76 177.01 2fe0 n LEU 74 N -1.06 0.00 -4.55 0.00 4.77 -0.85 -4.83 117.00 110.47 2fe0 n LEU 74 Ca 0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 2fe0 n LEU 74 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 2fe0 n LEU 74 CO 0.46 0.00 -0.36 -0.83 -1.33 0.00 0.00 177.39 175.33 2fe0 s GLY 75 N 0.00 1.72 0.00 -0.72 0.00 -1.26 -4.72 107.32 102.34 2fe0 s GLY 75 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2fe0 s GLY 75 CO 0.00 -0.37 0.00 1.17 0.00 0.00 0.00 173.10 173.90 2fe0 n LYS 76 N 2.84 0.00 -1.69 2.90 0.00 -1.26 -4.30 118.16 116.65 2fe0 n LYS 76 Ca -0.18 0.00 -0.58 0.00 0.00 0.00 0.00 58.31 57.55 2fe0 n LYS 76 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.48 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2fe0 n THR 77 N 0.00 0.22 -3.39 3.15 -1.04 -1.26 -4.91 114.28 107.06 2fe0 n THR 77 Ca 0.00 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.59 2fe0 n THR 77 Cb 0.00 -1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 67.38 2fe0 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2fe0 s LYS 78 N 2.97 4.24 -0.13 -2.82 2.47 -1.18 -4.39 119.74 120.90 2fe0 s LYS 78 Ca 0.97 0.26 -0.02 0.00 -1.56 0.00 0.00 55.97 55.62 2fe0 s LYS 78 Cb -1.11 -3.49 -0.03 0.00 -1.46 0.00 0.00 37.83 31.75 2fe0 s LYS 78 CO 0.65 0.07 -0.06 -1.17 0.16 0.00 0.00 175.35 175.00 2fe0 s LEU 79 N 0.96 3.15 -0.06 5.43 2.96 -1.26 -3.48 118.68 126.37 2fe0 s LEU 79 Ca 0.21 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 53.83 2fe0 s LEU 79 Cb -0.14 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 44.84 2fe0 s LEU 79 CO 0.08 0.22 0.37 -1.83 -1.32 0.00 0.00 176.35 173.86 2fe0 s GLU 80 N 0.08 0.62 0.13 1.98 -1.05 -0.92 -5.00 118.70 114.54 2fe0 s GLU 80 Ca -0.01 0.11 0.06 0.00 -0.15 0.00 0.00 54.97 54.97 2fe0 s GLU 80 Cb -0.14 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 2fe0 s GLU 80 CO 0.03 -0.15 0.04 -1.14 0.95 0.00 0.00 175.26 174.99 2fe0 s GLN 81 N -0.75 2.61 0.41 -4.83 0.74 -1.26 -0.96 119.66 115.61 2fe0 s GLN 81 Ca -0.08 -0.92 0.08 0.00 0.05 0.00 0.00 55.36 54.48 2fe0 s GLN 81 Cb -0.04 -2.52 -0.02 0.00 1.10 0.00 0.00 33.01 31.53 2fe0 s GLN 81 CO 0.03 0.50 0.35 -0.65 -0.55 0.00 0.00 175.29 174.97 2fe0 s GLN 82 N -2.70 2.51 0.25 1.67 -1.52 -0.54 -4.96 119.66 114.38 2fe0 s GLN 82 Ca 0.28 -1.55 -0.03 0.00 -1.95 0.00 0.00 55.36 52.11 2fe0 s GLN 82 Cb -0.11 -2.34 0.31 0.00 -0.22 0.00 0.00 33.01 30.65 2fe0 s GLN 82 CO 0.20 -0.16 1.78 0.93 -0.25 0.00 0.00 175.29 177.78 2fe0 h GLU 83 N 1.09 0.88 -0.08 2.91 4.39 -2.01 -2.00 114.58 119.77 2fe0 h GLU 83 Ca -0.42 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.10 2fe0 h GLU 83 Cb 1.26 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2fe0 h GLU 83 CO 0.59 0.82 0.09 -2.95 -1.16 0.00 0.00 179.01 176.40 2fe0 h ASN 84 N 0.84 0.00 -0.07 1.42 -0.00 -2.06 -3.45 115.58 112.26 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 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 2fe0 h ASN 84 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.05 2fe0 n GLY 85 N -1.35 0.66 2.97 9.14 0.00 -0.75 -5.01 105.19 110.85 2fe0 n GLY 85 Ca -0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.29 0.33 -0.13 1.61 2.02 -1.25 -1.93 118.70 119.06 2fe0 s GLU 86 Ca 0.00 -0.36 -0.08 0.00 0.02 0.00 0.00 54.97 54.55 2fe0 s GLU 86 Cb 0.00 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 33.99 2fe0 s GLU 86 CO 0.00 0.04 0.16 -1.58 0.02 0.00 0.00 175.26 173.90 2fe0 s TRP 87 N -0.64 3.57 -0.07 1.61 0.52 0.33 -1.47 118.94 122.79 2fe0 s TRP 87 Ca -0.05 0.52 0.04 0.00 0.02 0.00 0.00 56.10 56.63 2fe0 s TRP 87 Cb -0.05 -2.01 -0.00 0.00 -1.15 0.00 0.00 33.47 30.26 2fe0 s TRP 87 CO -0.00 0.63 -0.19 0.08 0.02 0.00 0.00 176.95 177.49 2fe0 s VAL 88 N -0.72 1.66 -0.20 4.03 1.01 -0.13 -0.98 120.40 125.06 2fe0 s VAL 88 Ca 0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2fe0 s VAL 88 Cb -0.12 -1.43 0.07 0.00 0.00 0.00 0.00 36.38 34.89 2fe0 s VAL 88 CO 0.03 0.47 0.09 0.00 0.00 0.00 0.00 175.10 175.69 2fe0 s ALA 89 N 0.21 0.58 0.05 5.51 0.00 -1.13 -2.17 121.76 124.82 2fe0 s ALA 89 Ca -0.10 -0.54 0.09 0.00 0.00 0.00 0.00 51.96 51.40 2fe0 s ALA 89 Cb -0.15 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 2fe0 s ALA 89 CO 0.05 -1.27 -0.23 -1.54 0.00 0.00 0.00 175.76 172.76 2fe0 s SER 90 N 2.08 3.46 -0.27 0.00 1.04 -1.23 -3.16 113.70 115.62 2fe0 s SER 90 Ca 0.03 -0.54 -0.24 0.00 0.48 0.00 0.00 55.95 55.69 2fe0 s SER 90 Cb -0.16 -0.42 0.08 0.00 0.10 0.00 0.00 66.02 65.62 2fe0 s SER 90 CO -0.14 0.25 0.76 0.54 0.98 0.00 0.00 173.24 175.62 2fe0 s VAL 91 N -0.89 0.00 -0.18 5.02 0.11 -1.06 -3.12 120.40 120.29 2fe0 s VAL 91 Ca 0.13 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.10 2fe0 s VAL 91 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.04 0.00 0.10 -0.69 -3.33 0.00 0.00 175.10 171.22 2fe0 s VAL 92 N 0.54 5.16 -0.10 2.04 1.01 -1.26 -2.26 120.40 125.53 2fe0 s VAL 92 Ca -0.01 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2fe0 s VAL 92 Cb -0.05 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2fe0 s VAL 92 CO -0.03 0.48 -0.12 -0.69 0.00 0.00 0.00 175.10 174.74 2fe0 s VAL 93 N 0.09 3.16 0.20 2.92 1.01 -0.57 -4.99 120.40 122.21 2fe0 s VAL 93 Ca 0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2fe0 s VAL 93 Cb -0.12 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2fe0 s VAL 93 CO -0.00 0.55 0.42 -0.31 0.00 0.00 0.00 175.10 175.75 2fe0 s TYR 94 N -0.07 3.48 0.76 5.22 2.02 -1.26 -2.75 117.35 124.74 2fe0 s TYR 94 Ca -0.02 0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 57.00 2fe0 s TYR 94 Cb -0.14 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2fe0 s TYR 94 CO 0.04 0.36 0.86 -2.30 -1.57 0.00 0.00 175.55 172.93 2fe0 n PRO 95 N -0.46 0.32 -1.58 -1.71 -0.02 -1.26 -2.05 135.00 128.24 2fe0 n PRO 95 Ca -0.03 0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.46 2fe0 n PRO 95 Cb 0.53 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 2fe0 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fe0 s GLU 97 N -3.53 0.54 -0.05 0.00 2.56 -0.87 -4.99 118.70 112.36 2fe0 s GLU 97 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 54.97 53.98 2fe0 s GLU 97 Cb 0.00 0.04 0.03 0.00 2.00 0.00 0.00 34.13 36.20 2fe0 s GLU 97 CO 0.00 -0.05 0.05 0.99 -0.56 0.00 0.00 175.26 175.68 2fe0 s THR 98 N -2.70 0.00 0.35 -1.70 2.01 -1.26 -3.59 115.64 108.76 2fe0 s THR 98 Ca -0.02 0.35 0.08 0.00 0.31 0.00 0.00 61.69 62.42 2fe0 s THR 98 Cb -0.01 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 2fe0 s THR 98 CO -0.05 0.20 0.11 -1.61 -0.69 0.00 0.00 174.62 172.58 2fe0 s GLU 99 N 2.10 2.26 0.28 4.92 0.41 -1.22 -4.86 118.70 122.59 2fe0 s GLU 99 Ca 0.05 -1.65 -0.15 0.00 -0.41 0.00 0.00 54.97 52.80 2fe0 s GLU 99 Cb -0.12 -2.08 -0.08 0.00 -1.78 0.00 0.00 34.13 30.07 2fe0 s GLU 99 CO -0.03 0.08 0.70 -1.64 -0.49 0.00 0.00 175.26 173.88 2fe0 s MET 100 N -3.82 4.03 0.00 1.61 -1.94 -1.26 -3.40 119.30 114.52 2fe0 s MET 100 Ca 0.37 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.01 2fe0 s MET 100 Cb -0.01 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.25 2fe0 s MET 100 CO 0.22 0.24 0.00 0.34 -0.01 0.00 0.00 175.02 175.81 2fe0 n PHE 101 N -0.04 0.00 -4.32 -0.03 7.35 -0.55 -4.15 117.46 115.73 2fe0 n PHE 101 Ca 0.01 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.54 2fe0 n PHE 101 Cb 0.53 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.25 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 1.31 1.29 0.34 -2.13 -5.25 -1.24 -2.01 121.20 113.51 2fe0 s ILE 102 Ca 0.00 -2.09 0.05 0.00 -0.99 0.00 0.00 60.65 57.62 2fe0 s ILE 102 Cb 0.00 -2.13 -0.02 0.00 2.95 0.00 0.00 42.46 43.26 2fe0 s ILE 102 CO 0.00 -0.51 0.19 -1.84 -1.79 0.00 0.00 174.94 170.98 2fe0 n GLU 103 N -0.36 0.50 0.00 0.37 0.28 -0.46 0.14 120.64 121.11 2fe0 n GLU 103 Ca -0.07 -3.08 0.00 0.00 -0.16 0.00 0.00 57.16 53.85 2fe0 n GLU 103 Cb 0.62 2.06 0.00 0.00 1.43 0.00 0.00 31.44 35.55 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 -0.55 -1.87 3.86 -1.84 0.00 -0.52 -1.29 105.19 102.98 2fe0 n GLY 104 Ca 0.00 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 3.75 -0.04 1.61 3.52 0.48 -4.86 118.95 123.41 2fe0 s ARG 105 Ca 0.00 0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 2fe0 s ARG 105 Cb 0.00 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 2fe0 s ARG 105 CO 0.00 0.65 -0.20 0.08 -0.81 0.00 0.00 175.30 175.03 2fe0 s VAL 106 N -1.21 1.61 -0.17 7.11 1.01 -1.26 -3.33 120.40 124.16 2fe0 s VAL 106 Ca 0.26 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2fe0 s VAL 106 Cb -0.15 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 34.94 2fe0 s VAL 106 CO 0.14 0.46 0.31 0.54 0.00 0.00 0.00 175.10 176.55 2fe0 s ASN 107 N -0.07 0.32 -0.16 3.32 4.22 -1.26 -5.04 114.94 116.27 2fe0 s ASN 107 Ca -0.02 0.54 -0.11 0.00 -2.14 0.00 0.00 52.86 51.13 2fe0 s ASN 107 Cb -0.12 0.86 0.04 0.00 1.28 0.00 0.00 41.25 43.32 2fe0 s ASN 107 CO 0.02 -0.26 0.22 0.61 -2.04 0.00 0.00 177.10 175.65 2fe0 n GLY 108 N 5.36 -4.81 3.32 0.45 0.00 -1.26 -4.56 105.19 103.69 2fe0 n GLY 108 Ca -0.06 1.56 -0.12 0.00 0.00 0.00 0.00 46.02 47.40 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 -0.59 -0.24 -0.15 1.61 -0.71 -1.26 -3.64 117.98 113.00 2fe0 s PHE 109 Ca -0.25 0.16 -0.05 0.00 -1.04 0.00 0.00 56.93 55.75 2fe0 s PHE 109 Cb 0.02 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 2fe0 s PHE 109 CO 0.67 -0.58 0.03 0.15 -1.34 0.00 0.00 175.22 174.15 2fe0 s LYS 110 N -2.64 3.62 -0.08 1.99 1.02 0.42 -4.96 119.74 119.11 2fe0 s LYS 110 Ca -0.04 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.58 2fe0 s LYS 110 Cb -0.00 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2fe0 s LYS 110 CO -0.04 0.41 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.55 2fe0 s SER 111 N -0.05 4.03 -0.10 2.83 0.01 -1.26 0.11 113.70 119.26 2fe0 s SER 111 Ca 0.05 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 2fe0 s SER 111 Cb -0.12 -1.19 0.04 0.00 0.21 0.00 0.00 66.02 64.96 2fe0 s SER 111 CO 0.02 0.27 0.03 -0.75 0.41 0.00 0.00 173.24 173.22 2fe0 s LYS 112 N -0.26 0.39 0.25 12.44 2.20 -0.24 -4.99 119.74 129.53 2fe0 s LYS 112 Ca 0.02 0.05 0.08 0.00 -0.36 0.00 0.00 55.97 55.75 2fe0 s LYS 112 Cb -0.13 -1.19 -0.05 0.00 -1.51 0.00 0.00 37.83 34.95 2fe0 s LYS 112 CO 0.03 -0.42 -0.10 -1.64 -0.36 0.00 0.00 175.35 172.85 2fe0 s MET 113 N 2.02 1.48 0.29 4.03 -1.94 -1.26 -1.13 119.30 122.80 2fe0 s MET 113 Ca 0.04 -1.71 -0.18 0.00 -1.71 0.00 0.00 55.69 52.12 2fe0 s MET 113 Cb -0.14 -1.21 0.02 0.00 2.01 0.00 0.00 34.83 35.52 2fe0 s MET 113 CO -0.06 0.12 0.68 0.34 -0.01 0.00 0.00 175.02 176.10 2fe0 s ASP 114 N -3.40 -0.16 -0.47 3.03 2.15 -1.15 -5.03 116.67 111.64 2fe0 s ASP 114 Ca 0.27 -0.77 0.03 0.00 0.43 0.00 0.00 52.55 52.51 2fe0 s ASP 114 Cb 0.01 0.72 0.14 0.00 -0.30 0.00 0.00 42.92 43.49 2fe0 s ASP 114 CO 0.10 -1.37 0.26 0.00 -0.17 0.00 0.00 175.17 174.00 2fe0 s ALA 115 N -3.67 2.41 0.53 3.66 0.00 -1.26 -2.78 121.76 120.65 2fe0 s ALA 115 Ca 0.14 -2.78 -0.06 0.00 0.00 0.00 0.00 51.96 49.27 2fe0 s ALA 115 Cb -0.05 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2fe0 s ALA 115 CO 0.08 -2.06 0.84 -0.51 0.00 0.00 0.00 175.76 174.12 2fe0 s LEU 116 N 0.12 3.45 0.60 0.00 1.43 -0.85 -4.77 118.68 118.66 2fe0 s LEU 116 Ca 0.19 0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 53.98 2fe0 s LEU 116 Cb -0.22 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 2fe0 s LEU 116 CO -0.02 -0.78 1.10 -2.84 0.23 0.00 0.00 176.35 174.04 2fe0 s PRO 117 N -4.86 3.15 -0.48 1.29 0.02 -1.26 0.14 135.00 133.00 2fe0 s PRO 117 Ca 0.50 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.66 2fe0 s PRO 117 Cb -0.10 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.45 2fe0 s PRO 117 CO 0.45 -0.98 1.16 -0.51 -0.33 0.00 0.00 177.00 176.80 2fe0 s LEU 118 N -4.34 3.62 1.05 -5.54 1.43 -1.19 -4.50 118.68 109.21 2fe0 s LEU 118 Ca 0.68 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 54.08 2fe0 s LEU 118 Cb -0.20 -3.53 0.22 0.00 0.03 0.00 0.00 46.19 42.71 2fe0 s LEU 118 CO 0.34 -1.28 1.20 -0.44 0.23 0.00 0.00 176.35 176.40 2fe0 s SER 119 N 2.58 2.26 0.51 2.29 0.01 -1.26 -4.84 113.70 115.25 2fe0 s SER 119 Ca 0.49 0.56 0.23 0.00 1.31 0.00 0.00 55.95 58.54 2fe0 s SER 119 Cb -0.07 -0.79 1.33 0.00 0.21 0.00 0.00 66.02 66.70 2fe0 s SER 119 CO 0.32 -3.29 2.00 1.05 0.41 0.00 0.00 173.24 173.72 2fe0 h GLU 120 N -2.01 0.07 -0.92 12.44 -0.00 -2.01 0.19 114.58 122.33 2fe0 h GLU 120 Ca -0.46 -0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.02 2fe0 h GLU 120 Cb 1.28 -0.01 -0.07 0.00 -0.00 0.00 0.00 28.75 29.94 2fe0 h GLU 120 CO 0.41 0.04 0.59 1.49 -0.00 0.00 0.00 179.01 181.54 2fe0 h GLU 121 N 0.07 0.79 -0.60 1.06 4.57 -2.00 -0.56 114.58 117.91 2fe0 h GLU 121 Ca 0.25 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2fe0 h GLU 121 Cb 0.92 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 2fe0 h GLU 121 CO -0.02 0.52 0.30 -0.92 -1.18 0.00 0.00 179.01 177.71 2fe0 h TYR 122 N 0.82 0.85 -0.96 0.92 3.20 -1.28 -0.96 116.97 119.56 2fe0 h TYR 122 Ca 0.45 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.34 2fe0 h TYR 122 Cb 0.58 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 2fe0 h TYR 122 CO -0.00 0.64 0.62 0.00 -1.64 0.00 0.00 178.16 177.78 2fe0 h ARG 123 N 0.82 1.11 -0.25 1.82 3.08 -1.16 -1.26 114.38 118.54 2fe0 h ARG 123 Ca 0.21 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 2fe0 h ARG 123 Cb 0.10 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2fe0 h ARG 123 CO -0.03 0.73 -0.41 0.37 -1.07 0.00 0.00 179.97 179.57 2fe0 h GLN 124 N 1.14 0.59 0.00 0.04 4.15 -1.00 -2.54 115.11 117.50 2fe0 h GLN 124 Ca 0.41 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2fe0 h GLN 124 Cb 0.13 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2fe0 h GLN 124 CO -0.16 0.90 0.03 1.58 -1.93 0.00 0.00 178.83 179.24 2fe0 n HIS 125 N -4.03 0.51 0.37 3.99 -0.00 -0.40 0.12 115.22 115.78 2fe0 n HIS 125 Ca -0.02 0.27 0.12 0.00 0.46 0.00 0.00 57.72 58.55 2fe0 n HIS 125 Cb 0.52 -0.91 0.21 0.00 -0.12 0.00 0.00 29.99 29.69 2fe0 n HIS 125 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2fe0 h GLN 126 N 0.00 0.00 -0.16 1.57 4.20 -1.27 -3.32 115.11 116.12 2fe0 h GLN 126 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2fe0 h GLN 126 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2fe0 h GLN 126 CO 0.00 0.00 0.02 0.00 -0.67 0.00 0.00 178.83 178.18 2fe0 h ALA 127 N 2.23 0.22 -0.51 3.87 0.00 -0.45 -2.29 119.26 122.33 2fe0 h ALA 127 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2fe0 h ALA 127 Cb 0.89 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2fe0 h ALA 127 CO 0.00 -0.11 0.17 1.05 0.00 0.00 0.00 179.25 180.36 2fe0 h GLU 128 N 0.05 0.75 0.00 0.00 -0.00 -1.69 0.30 114.58 113.99 2fe0 h GLU 128 Ca 0.05 -0.12 -0.05 0.00 -0.00 0.00 0.00 59.36 59.23 2fe0 h GLU 128 Cb 0.32 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 28.93 2fe0 h GLU 128 CO 0.00 0.64 -0.25 0.87 -0.00 0.00 0.00 179.01 180.28 2fe0 h LYS 129 N 0.73 0.00 0.00 1.06 1.57 -1.61 -3.43 116.57 114.89 2fe0 h LYS 129 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2fe0 h LYS 129 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2fe0 h LYS 129 CO -0.01 0.25 0.00 -3.47 -0.57 0.00 0.00 179.45 175.65 2fe0 n ASP 130 N -4.13 0.00 0.00 0.86 2.03 -0.64 -5.12 116.55 109.55 2fe0 n ASP 130 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2fe0 n ASP 130 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 2fe0 n ASP 130 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45