#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 n GLY 2 N 0.00 -1.13 0.37 -5.12 0.00 -1.26 -4.96 105.19 93.09 2fe0 n GLY 2 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.28 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n GLY 4 N -1.37 0.67 3.63 0.00 0.00 -1.26 -5.01 105.19 101.84 2fe0 n GLY 4 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 s ALA 5 N -2.26 3.55 0.42 4.61 0.00 -1.26 -4.91 121.76 121.91 2fe0 s ALA 5 Ca 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 51.96 51.90 2fe0 s ALA 5 Cb 0.00 -3.46 0.92 0.00 0.00 0.00 0.00 23.12 20.58 2fe0 s ALA 5 CO 0.00 -1.26 1.96 0.66 0.00 0.00 0.00 175.76 177.12 2fe0 h SER 6 N 7.98 0.08 -4.17 0.00 4.64 -2.04 -3.43 113.55 116.61 2fe0 h SER 6 Ca -0.22 -0.01 -0.47 0.00 -0.47 0.00 0.00 61.79 60.61 2fe0 h SER 6 Cb 1.08 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2fe0 h SER 6 CO 0.95 0.25 0.37 -0.44 -0.87 0.00 0.00 176.83 177.09 2fe0 s SER 7 N -6.96 6.47 -0.30 4.97 0.01 -1.26 -5.05 113.70 111.58 2fe0 s SER 7 Ca -0.04 1.66 -0.02 0.00 1.31 0.00 0.00 55.95 58.85 2fe0 s SER 7 Cb 0.16 -2.52 0.10 0.00 0.21 0.00 0.00 66.02 63.96 2fe0 s SER 7 CO 0.71 -0.69 0.12 -1.61 0.41 0.00 0.00 173.24 172.18 2fe0 s GLU 8 N -3.89 0.43 0.31 12.44 0.41 -1.26 -4.99 118.70 122.14 2fe0 s GLU 8 Ca 0.61 -0.79 0.01 0.00 -0.41 0.00 0.00 54.97 54.39 2fe0 s GLU 8 Cb -0.11 -1.55 0.53 0.00 -1.78 0.00 0.00 34.13 31.22 2fe0 s GLU 8 CO 0.29 -1.01 1.93 -0.97 -0.49 0.00 0.00 175.26 175.01 2fe0 h ASN 9 N 8.25 0.89 0.00 -0.19 -1.24 -1.98 -3.44 115.58 117.88 2fe0 h ASN 9 Ca -0.17 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.84 2fe0 h ASN 9 Cb 1.01 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.87 2fe0 h ASN 9 CO 0.45 0.59 0.00 -1.20 -1.29 0.00 0.00 177.43 175.98 2fe0 n SER 10 N -4.47 0.00 -4.43 1.15 7.64 -1.26 -4.65 113.62 107.61 2fe0 n SER 10 Ca 0.12 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.72 2fe0 n SER 10 Cb 0.16 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.60 2fe0 n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2fe0 s SER 11 N -4.00 1.16 -0.02 6.43 0.01 -1.26 -4.94 113.70 111.08 2fe0 s SER 11 Ca 0.00 1.29 0.02 0.00 1.31 0.00 0.00 55.95 58.57 2fe0 s SER 11 Cb 0.00 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.23 2fe0 s SER 11 CO 0.00 -4.06 -0.07 -0.69 0.41 0.00 0.00 173.24 168.83 2fe0 s VAL 12 N -2.62 0.65 -0.09 3.43 1.01 -1.26 -5.11 120.40 116.41 2fe0 s VAL 12 Ca 0.68 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2fe0 s VAL 12 Cb -0.22 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2fe0 s VAL 12 CO 0.62 0.21 -0.17 -0.89 0.00 0.00 0.00 175.10 174.87 2fe0 s THR 13 N 0.18 1.53 0.35 3.92 2.01 -1.26 -5.14 115.64 117.24 2fe0 s THR 13 Ca -0.02 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.35 2fe0 s THR 13 Cb -0.07 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 2fe0 s THR 13 CO 0.00 0.44 0.47 -0.31 -0.69 0.00 0.00 174.62 174.54 2fe0 s TYR 14 N 0.72 3.05 0.28 4.92 2.02 -1.26 -5.05 117.35 122.03 2fe0 s TYR 14 Ca -0.12 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2fe0 s TYR 14 Cb -0.16 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 2fe0 s TYR 14 CO 0.03 -0.06 0.00 1.55 -1.57 0.00 0.00 175.55 175.49 2fe0 n VAL 15 N -1.66 0.12 0.24 0.71 3.14 -1.26 -4.86 118.33 114.77 2fe0 n VAL 15 Ca 0.01 0.04 0.09 0.00 -2.96 0.00 0.00 64.34 61.52 2fe0 n VAL 15 Cb 0.58 -0.60 0.63 0.00 -1.06 0.00 0.00 33.84 33.38 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2fe0 h ASN 16 N 0.00 0.00 0.00 6.55 2.35 -1.97 -3.46 115.58 119.04 2fe0 h ASN 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fe0 h ASN 16 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fe0 h ASN 16 CO 0.00 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.54 2fe0 n GLY 17 N -0.85 2.18 3.88 2.83 0.00 -1.26 -5.05 105.19 106.92 2fe0 n GLY 17 Ca -0.02 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 3.77 0.26 1.61 1.81 -1.26 -4.84 118.95 118.31 2fe0 s ARG 18 Ca 0.00 0.22 -0.29 0.00 -1.72 0.00 0.00 55.73 53.93 2fe0 s ARG 18 Cb 0.00 -2.67 -0.09 0.00 -0.45 0.00 0.00 34.95 31.74 2fe0 s ARG 18 CO 0.00 0.33 1.25 -1.25 -0.68 0.00 0.00 175.30 174.94 2fe0 s PRO 19 N -2.85 4.45 0.00 3.54 0.04 -1.26 -4.91 135.00 134.02 2fe0 s PRO 19 Ca 0.46 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.76 2fe0 s PRO 19 Cb -0.11 -3.15 1.18 0.00 0.04 0.00 0.00 34.50 32.46 2fe0 s PRO 19 CO 0.22 -0.10 1.74 0.25 0.04 0.00 0.00 177.00 179.15 2fe0 n THR 20 N 1.63 0.24 -4.68 1.26 -2.24 -1.26 -4.69 114.28 104.55 2fe0 n THR 20 Ca 0.02 0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.63 2fe0 n THR 20 Cb 0.43 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.82 2fe0 n THR 20 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2fe0 s PHE 21 N -2.46 1.34 -0.05 4.78 5.36 -1.26 -5.13 117.98 120.55 2fe0 s PHE 21 Ca 0.24 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 2fe0 s PHE 21 Cb 0.15 -0.87 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 2fe0 s PHE 21 CO 0.33 -0.05 -0.03 0.08 -1.46 0.00 0.00 175.22 174.08 2fe0 s VAL 22 N -0.24 0.51 0.00 3.12 1.01 -1.26 -5.04 120.40 118.50 2fe0 s VAL 22 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2fe0 s VAL 22 Cb -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2fe0 s VAL 22 CO -0.00 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2fe0 n GLY 23 N 4.32 0.95 2.07 4.51 0.00 -1.26 -4.91 105.19 110.87 2fe0 n GLY 23 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.06 1.61 2.13 0.98 -4.86 120.64 117.45 2fe0 n GLU 24 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 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 -1.99 3.88 -0.06 5.31 2.12 -1.04 -4.95 118.70 121.98 2fe0 s GLU 25 Ca 0.00 0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.73 2fe0 s GLU 25 Cb 0.00 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 2fe0 s GLU 25 CO 0.00 -0.64 -0.23 0.08 -0.54 0.00 0.00 175.26 173.94 2fe0 s VAL 26 N 2.75 2.27 0.28 3.70 1.01 -1.26 -1.86 120.40 127.30 2fe0 s VAL 26 Ca 0.27 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2fe0 s VAL 26 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2fe0 s VAL 26 CO 0.13 0.57 0.13 0.42 0.00 0.00 0.00 175.10 176.34 2fe0 s THR 27 N -0.24 0.46 -0.37 3.92 -4.23 -0.86 -4.94 115.64 109.37 2fe0 s THR 27 Ca -0.01 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2fe0 s THR 27 Cb -0.13 -2.57 0.11 0.00 1.34 0.00 0.00 72.50 71.24 2fe0 s THR 27 CO 0.03 0.00 0.10 -0.54 -0.54 0.00 0.00 174.62 173.67 2fe0 s LYS 28 N -3.93 1.60 0.00 3.99 1.02 -1.26 0.43 119.74 121.59 2fe0 s LYS 28 Ca 0.36 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 54.36 2fe0 s LYS 28 Cb 0.06 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2fe0 s LYS 28 CO 0.15 -0.98 0.92 0.41 -0.92 0.00 0.00 175.35 174.93 2fe0 n GLY 29 N 4.09 -3.13 3.73 -3.33 0.00 -1.08 -4.28 105.19 101.20 2fe0 n GLY 29 Ca 0.04 0.60 -0.41 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.76 3.58 -2.21 1.61 0.08 -1.25 -4.92 117.98 112.11 2fe0 s PHE 30 Ca 0.00 1.56 0.19 0.00 0.12 0.00 0.00 56.93 58.80 2fe0 s PHE 30 Cb 0.00 -3.28 0.71 0.00 -0.57 0.00 0.00 43.02 39.88 2fe0 s PHE 30 CO 0.00 -0.65 1.51 0.39 -0.10 0.00 0.00 175.22 176.38 2fe0 n GLU 31 N 2.73 1.67 -3.98 0.44 4.71 -1.26 -4.26 120.64 120.69 2fe0 n GLU 31 Ca 0.04 -1.02 -0.31 0.00 -0.01 0.00 0.00 57.16 55.87 2fe0 n GLU 31 Cb 0.47 -1.36 -0.05 0.00 -1.01 0.00 0.00 31.44 29.48 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2fe0 s LYS 32 N -1.77 3.18 2.54 3.49 2.47 -1.26 -4.86 119.74 123.53 2fe0 s LYS 32 Ca 0.30 -0.56 0.00 0.00 -1.56 0.00 0.00 55.97 54.15 2fe0 s LYS 32 Cb 0.16 -2.89 0.00 0.00 -1.46 0.00 0.00 37.83 33.64 2fe0 s LYS 32 CO 0.24 0.59 0.00 -0.25 0.16 0.00 0.00 175.35 176.09 2fe0 n ASP 33 N 0.35 -3.39 -1.75 1.43 8.00 -1.26 -2.53 116.55 117.40 2fe0 n ASP 33 Ca -0.07 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.43 2fe0 n ASP 33 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 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 -3.08 3.04 0.00 -2.24 2.85 -1.26 -4.58 115.26 109.98 2fe0 n ASN 34 Ca 0.00 -1.82 0.00 0.00 -0.11 0.00 0.00 54.58 52.65 2fe0 n ASN 34 Cb 0.00 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.37 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2fe0 n GLY 35 N 1.79 1.95 5.02 8.20 0.00 -1.05 -4.71 105.19 116.39 2fe0 n GLY 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.72 0.99 4.77 -1.26 -3.82 117.00 112.96 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 -0.24 -0.22 -1.33 0.00 0.00 177.39 175.60 2fe0 s LEU 37 N 0.00 3.92 -0.13 2.23 2.96 -1.26 -3.04 118.68 123.35 2fe0 s LEU 37 Ca 0.00 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2fe0 s LEU 37 Cb 0.00 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2fe0 s LEU 37 CO 0.00 0.29 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.90 2fe0 s PHE 38 N -0.36 2.97 -0.65 5.38 0.40 -1.19 -2.62 117.98 121.91 2fe0 s PHE 38 Ca 0.09 -0.28 -0.22 0.00 -0.60 0.00 0.00 56.93 55.93 2fe0 s PHE 38 Cb -0.12 -1.88 0.08 0.00 0.51 0.00 0.00 43.02 41.61 2fe0 s PHE 38 CO 0.02 0.03 0.90 0.50 0.70 0.00 0.00 175.22 177.37 2fe0 s ARG 39 N 0.07 3.10 -0.07 0.44 3.52 0.17 -3.25 118.95 122.93 2fe0 s ARG 39 Ca -0.01 -0.96 -0.20 0.00 -0.13 0.00 0.00 55.73 54.43 2fe0 s ARG 39 Cb -0.14 -4.24 -0.04 0.00 -1.56 0.00 0.00 34.95 28.97 2fe0 s ARG 39 CO 0.03 -1.75 0.57 0.42 -0.81 0.00 0.00 175.30 173.76 2fe0 s ILE 40 N 3.73 5.07 -0.05 4.11 1.01 0.22 -2.03 121.20 133.25 2fe0 s ILE 40 Ca 0.20 1.17 0.01 0.00 0.00 0.00 0.00 60.65 62.02 2fe0 s ILE 40 Cb -0.19 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.40 2fe0 s ILE 40 CO 0.09 0.34 -0.05 -0.69 0.00 0.00 0.00 174.94 174.63 2fe0 s VAL 41 N 0.39 0.60 -0.41 2.92 1.01 -0.78 -0.23 120.40 123.90 2fe0 s VAL 41 Ca 0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 2fe0 s VAL 41 Cb -0.17 -0.63 0.08 0.00 0.00 0.00 0.00 36.38 35.66 2fe0 s VAL 41 CO 0.14 0.25 0.23 0.21 0.00 0.00 0.00 175.10 175.93 2fe0 s ASN 42 N 1.10 5.51 0.46 3.32 3.04 -1.16 -0.01 114.94 127.21 2fe0 s ASN 42 Ca -0.08 -1.57 0.15 0.00 0.04 0.00 0.00 52.86 51.40 2fe0 s ASN 42 Cb -0.14 -1.94 1.11 0.00 -1.54 0.00 0.00 41.25 38.75 2fe0 s ASN 42 CO -0.01 -0.51 2.02 0.11 -3.04 0.00 0.00 177.10 175.67 2fe0 h LYS 43 N 8.31 0.28 -0.19 0.43 1.57 -1.91 3.48 116.57 128.54 2fe0 h LYS 43 Ca -0.21 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2fe0 h LYS 43 Cb 1.08 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.25 2fe0 h LYS 43 CO 0.73 0.18 -0.36 -0.22 -0.57 0.00 0.00 179.45 179.21 2fe0 h LYS 44 N 0.29 -0.38 -0.01 3.15 3.64 -1.97 -2.93 116.57 118.35 2fe0 h LYS 44 Ca 0.21 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2fe0 h LYS 44 Cb 0.45 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2fe0 h LYS 44 CO -0.04 -0.26 -0.33 1.63 -2.27 0.00 0.00 179.45 178.18 2fe0 n LYS 45 N -5.42 1.83 -2.55 1.90 4.76 -0.94 -4.98 118.16 112.76 2fe0 n LYS 45 Ca -0.03 -0.70 -0.19 0.00 -2.87 0.00 0.00 58.31 54.52 2fe0 n LYS 45 Cb 0.34 -1.22 -0.00 0.00 -1.84 0.00 0.00 35.03 32.31 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 -0.24 -2.42 -3.56 1.97 4.76 1.15 -4.31 118.16 115.51 2fe0 n LYS 46 Ca 0.06 0.89 -0.37 0.00 -2.87 0.00 0.00 58.31 56.01 2fe0 n LYS 46 Cb 0.30 -5.58 -0.09 0.00 -1.84 0.00 0.00 35.03 27.82 2fe0 n LYS 46 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2fe0 s GLN 47 N -5.20 4.09 0.29 1.97 -2.07 -1.14 -2.21 119.66 115.40 2fe0 s GLN 47 Ca 0.07 -0.11 -0.23 0.00 -1.82 0.00 0.00 55.36 53.26 2fe0 s GLN 47 Cb -0.03 -3.55 -0.09 0.00 -1.09 0.00 0.00 33.01 28.24 2fe0 s GLN 47 CO 0.08 -0.00 0.86 -1.58 -1.32 0.00 0.00 175.29 173.34 2fe0 s TRP 48 N 1.23 3.65 -0.01 9.60 0.52 0.16 -2.97 118.94 131.13 2fe0 s TRP 48 Ca 0.11 1.63 -0.04 0.00 0.02 0.00 0.00 56.10 57.82 2fe0 s TRP 48 Cb -0.14 -2.81 -0.00 0.00 -1.15 0.00 0.00 33.47 29.37 2fe0 s TRP 48 CO 0.06 0.24 0.07 0.00 0.02 0.00 0.00 176.95 177.34 2fe0 s ALA 49 N -1.62 -0.17 -0.03 0.98 0.00 0.67 -2.00 121.76 119.60 2fe0 s ALA 49 Ca 0.48 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.41 2fe0 s ALA 49 Cb -0.17 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2fe0 s ALA 49 CO 0.22 -0.13 -0.22 0.71 0.00 0.00 0.00 175.76 176.34 2fe0 s TYR 50 N -0.83 2.05 -0.10 0.00 2.02 -1.23 -0.61 117.35 118.66 2fe0 s TYR 50 Ca -0.09 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 2fe0 s TYR 50 Cb -0.05 -1.34 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 2fe0 s TYR 50 CO 0.00 -0.10 -0.20 -0.47 -1.57 0.00 0.00 175.55 173.21 2fe0 s TYR 51 N -0.35 2.26 -0.27 2.71 5.04 -1.20 -3.77 117.35 121.77 2fe0 s TYR 51 Ca 0.04 -0.96 -0.15 0.00 -2.44 0.00 0.00 57.07 53.56 2fe0 s TYR 51 Cb -0.10 -1.55 -0.04 0.00 0.35 0.00 0.00 41.96 40.62 2fe0 s TYR 51 CO 0.01 -0.42 0.37 1.21 -1.34 0.00 0.00 175.55 175.38 2fe0 s ASN 52 N 0.53 6.26 -0.05 4.32 3.84 -1.26 -3.18 114.94 125.40 2fe0 s ASN 52 Ca -0.15 0.30 -0.04 0.00 0.21 0.00 0.00 52.86 53.17 2fe0 s ASN 52 Cb -0.17 -2.21 -0.28 0.00 -0.55 0.00 0.00 41.25 38.04 2fe0 s ASN 52 CO 0.05 -0.18 0.65 -2.24 -2.79 0.00 0.00 177.10 172.60 2fe0 h ASP 53 N 8.13 0.42 -3.35 -4.21 2.03 -1.91 -3.34 116.42 114.19 2fe0 h ASP 53 Ca -0.32 -0.70 -0.48 0.00 -0.73 0.00 0.00 57.03 54.80 2fe0 h ASP 53 Cb 1.16 -0.14 0.22 0.00 -0.83 0.00 0.00 39.33 39.74 2fe0 h ASP 53 CO 0.65 1.61 -0.24 0.35 -1.03 0.00 0.00 179.24 180.57 2fe0 n THR 54 N -3.45 0.00 -0.43 1.15 -2.24 -1.26 -4.53 114.28 103.51 2fe0 n THR 54 Ca -0.23 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2fe0 n THR 54 Cb 1.06 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 -4.49 0.40 -1.00 4.28 -2.24 -1.26 -4.40 114.28 105.57 2fe0 n THR 55 Ca 0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2fe0 n THR 55 Cb 0.55 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.20 0.00 -4.78 -0.78 10.64 -1.26 -4.98 117.38 116.02 2fe0 n GLN 56 Ca 0.00 -0.14 -0.27 0.00 -1.83 0.00 0.00 57.00 54.76 2fe0 n GLN 56 Cb 0.28 -0.50 -0.17 0.00 -0.86 0.00 0.00 30.24 29.00 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2fe0 s TYR 57 N -0.00 1.77 -0.06 2.61 2.02 -1.26 -3.48 117.35 118.94 2fe0 s TYR 57 Ca 0.00 -0.65 -0.18 0.00 -0.37 0.00 0.00 57.07 55.87 2fe0 s TYR 57 Cb 0.00 -1.24 -0.05 0.00 -0.40 0.00 0.00 41.96 40.27 2fe0 s TYR 57 CO 0.00 -0.29 0.48 -1.83 -1.57 0.00 0.00 175.55 172.33 2fe0 s GLU 58 N 0.49 4.23 -0.21 -0.62 -1.05 0.10 -4.63 118.70 117.00 2fe0 s GLU 58 Ca -0.14 0.49 -0.18 0.00 -0.15 0.00 0.00 54.97 54.99 2fe0 s GLU 58 Cb -0.16 -3.36 -0.03 0.00 -0.44 0.00 0.00 34.13 30.14 2fe0 s GLU 58 CO 0.05 0.35 0.50 -1.64 0.95 0.00 0.00 175.26 175.46 2fe0 s MET 59 N -0.00 4.17 -0.25 -4.83 -1.94 -1.01 -2.80 119.30 112.63 2fe0 s MET 59 Ca 0.26 0.36 -0.05 0.00 -1.71 0.00 0.00 55.69 54.55 2fe0 s MET 59 Cb -0.16 -3.57 -0.01 0.00 2.01 0.00 0.00 34.83 33.10 2fe0 s MET 59 CO 0.12 -0.16 0.02 -1.01 -0.01 0.00 0.00 175.02 173.98 2fe0 s HIS 60 N 1.68 3.05 -0.17 -0.03 3.76 -1.23 -0.73 115.29 121.63 2fe0 s HIS 60 Ca 0.23 -0.87 -0.11 0.00 -0.15 0.00 0.00 55.06 54.16 2fe0 s HIS 60 Cb -0.15 -2.18 -0.05 0.00 1.11 0.00 0.00 32.58 31.31 2fe0 s HIS 60 CO 0.09 -0.52 0.18 0.08 -0.85 0.00 0.00 174.74 173.72 2fe0 s VAL 61 N 1.51 5.39 -0.34 -0.90 1.01 -0.80 -3.26 120.40 123.01 2fe0 s VAL 61 Ca 0.05 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 2fe0 s VAL 61 Cb -0.15 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.86 2fe0 s VAL 61 CO -0.00 0.47 0.24 -0.22 0.00 0.00 0.00 175.10 175.58 2fe0 s LEU 62 N 0.08 0.54 -0.09 3.92 2.96 -0.26 -2.54 118.68 123.30 2fe0 s LEU 62 Ca 0.12 -1.73 0.02 0.00 -0.22 0.00 0.00 54.13 52.32 2fe0 s LEU 62 Cb -0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.46 2fe0 s LEU 62 CO 0.01 -0.33 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.88 2fe0 s VAL 63 N 1.49 3.09 -0.06 1.68 1.01 -1.19 -0.65 120.40 125.77 2fe0 s VAL 63 Ca 0.15 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 2fe0 s VAL 63 Cb -0.19 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2fe0 s VAL 63 CO -0.11 0.56 -0.02 -0.89 0.00 0.00 0.00 175.10 174.64 2fe0 s THR 64 N -0.22 4.08 0.33 3.92 2.01 0.31 -3.10 115.64 122.97 2fe0 s THR 64 Ca 0.01 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.69 2fe0 s THR 64 Cb -0.13 -2.72 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 2fe0 s THR 64 CO 0.03 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.12 2fe0 s PHE 65 N -0.90 2.18 0.45 4.92 0.08 -0.46 -1.94 117.98 122.32 2fe0 s PHE 65 Ca 0.14 -0.66 -0.08 0.00 0.12 0.00 0.00 56.93 56.44 2fe0 s PHE 65 Cb -0.11 -1.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.96 2fe0 s PHE 65 CO 0.03 0.37 0.79 1.21 -0.10 0.00 0.00 175.22 177.52 2fe0 s ASN 66 N -3.54 6.39 0.19 1.36 2.47 -1.26 -1.65 114.94 118.90 2fe0 s ASN 66 Ca 0.32 1.06 -0.17 0.00 0.42 0.00 0.00 52.86 54.49 2fe0 s ASN 66 Cb 0.05 -2.30 0.17 0.00 -1.45 0.00 0.00 41.25 37.72 2fe0 s ASN 66 CO 0.15 -0.51 1.62 -0.08 -3.72 0.00 0.00 177.10 174.56 2fe0 h GLU 67 N 0.71 -0.08 -5.67 0.43 4.81 -1.55 -3.12 114.58 110.10 2fe0 h GLU 67 Ca -0.47 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.12 2fe0 h GLU 67 Cb 1.19 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 2fe0 h GLU 67 CO 0.63 -0.06 2.16 -0.25 -0.73 0.00 0.00 179.01 180.76 2fe0 n ASP 68 N -5.42 4.65 -3.46 1.04 8.00 -1.26 -4.83 116.55 115.28 2fe0 n ASP 68 Ca 0.05 -2.89 -0.06 0.00 0.71 0.00 0.00 54.79 52.60 2fe0 n ASP 68 Cb 0.33 -1.74 -0.07 0.00 -0.02 0.00 0.00 41.12 39.62 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 2.66 6.23 0.20 0.00 2.15 -1.20 -4.92 116.67 121.78 2fe0 s ASP 70 Ca 0.07 -2.05 0.10 0.00 0.43 0.00 0.00 52.55 51.10 2fe0 s ASP 70 Cb -0.14 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2fe0 s ASP 70 CO -0.16 -1.80 -0.20 0.27 -0.17 0.00 0.00 175.17 173.11 2fe0 s ILE 71 N 6.44 2.11 0.20 4.11 -4.36 -1.25 0.20 121.20 128.65 2fe0 s ILE 71 Ca 0.58 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 2fe0 s ILE 71 Cb 0.02 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 2fe0 s ILE 71 CO 0.07 -0.29 -0.06 -0.75 0.24 0.00 0.00 174.94 174.15 2fe0 s LYS 72 N -2.96 1.24 -0.17 0.37 2.20 0.76 -4.92 119.74 116.26 2fe0 s LYS 72 Ca 0.21 -1.59 -0.08 0.00 -0.36 0.00 0.00 55.97 54.15 2fe0 s LYS 72 Cb -0.06 -0.70 -0.04 0.00 -1.51 0.00 0.00 37.83 35.52 2fe0 s LYS 72 CO 0.09 0.01 0.10 0.00 -0.36 0.00 0.00 175.35 175.18 2fe0 s ALA 73 N -3.32 3.59 0.45 3.13 0.00 -1.26 -1.21 121.76 123.14 2fe0 s ALA 73 Ca 0.23 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.56 2fe0 s ALA 73 Cb 0.04 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2fe0 s ALA 73 CO 0.06 0.29 0.39 -0.51 0.00 0.00 0.00 175.76 175.99 2fe0 s LEU 74 N -0.01 3.21 0.00 0.00 1.43 0.17 -4.92 118.68 118.57 2fe0 s LEU 74 Ca 0.08 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2fe0 s LEU 74 Cb -0.12 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2fe0 s LEU 74 CO 0.00 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.42 2fe0 n GLY 75 N -1.61 1.50 0.71 -3.19 0.00 -1.26 -0.80 105.19 100.55 2fe0 n GLY 75 Ca 0.03 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.90 2fe0 n GLY 75 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2fe0 n LYS 76 N 14.00 1.92 -1.70 1.61 2.85 -1.26 -4.94 118.16 130.65 2fe0 n LYS 76 Ca 0.00 -1.41 -0.55 0.00 -1.05 0.00 0.00 58.31 55.31 2fe0 n LYS 76 Cb 0.00 -1.40 -0.06 0.00 -0.65 0.00 0.00 35.03 32.92 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2fe0 n THR 77 N 0.63 0.34 -2.69 0.58 -1.04 0.02 -4.89 114.28 107.23 2fe0 n THR 77 Ca 0.16 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 2fe0 n THR 77 Cb 0.38 -1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.52 2fe0 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2fe0 s LYS 78 N 3.39 4.45 -0.10 -2.82 2.20 -1.20 -4.60 119.74 121.07 2fe0 s LYS 78 Ca 0.96 1.40 0.03 0.00 -0.36 0.00 0.00 55.97 58.00 2fe0 s LYS 78 Cb -0.97 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 2fe0 s LYS 78 CO 0.61 -0.26 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.96 2fe0 s LEU 79 N 1.78 1.98 -0.06 5.43 2.96 -1.26 -3.28 118.68 126.24 2fe0 s LEU 79 Ca 0.49 -0.51 -0.19 0.00 -0.22 0.00 0.00 54.13 53.70 2fe0 s LEU 79 Cb -0.19 -1.28 0.04 0.00 0.50 0.00 0.00 46.19 45.26 2fe0 s LEU 79 CO 0.20 0.12 0.44 -0.70 -1.32 0.00 0.00 176.35 175.09 2fe0 s GLU 80 N 0.49 0.75 0.08 1.98 2.56 -0.99 -5.00 118.70 118.57 2fe0 s GLU 80 Ca -0.16 0.09 0.02 0.00 0.00 0.00 0.00 54.97 54.92 2fe0 s GLU 80 Cb -0.17 0.34 -0.04 0.00 2.00 0.00 0.00 34.13 36.26 2fe0 s GLU 80 CO 0.06 -0.20 0.16 -1.14 -0.56 0.00 0.00 175.26 173.58 2fe0 s GLN 81 N -0.98 3.19 0.40 4.30 0.74 -1.26 -0.78 119.66 125.27 2fe0 s GLN 81 Ca -0.10 -0.58 0.08 0.00 0.05 0.00 0.00 55.36 54.80 2fe0 s GLN 81 Cb -0.03 -2.88 -0.01 0.00 1.10 0.00 0.00 33.01 31.18 2fe0 s GLN 81 CO 0.05 0.57 0.41 -0.65 -0.55 0.00 0.00 175.29 175.12 2fe0 s GLN 82 N -2.59 2.65 0.24 1.67 -1.52 0.04 -4.95 119.66 115.20 2fe0 s GLN 82 Ca 0.32 -1.41 -0.04 0.00 -1.95 0.00 0.00 55.36 52.28 2fe0 s GLN 82 Cb -0.12 -2.49 0.27 0.00 -0.22 0.00 0.00 33.01 30.45 2fe0 s GLN 82 CO 0.25 -0.16 1.75 0.93 -0.25 0.00 0.00 175.29 177.82 2fe0 h GLU 83 N 0.97 0.92 -0.14 2.91 5.08 -2.00 -2.06 114.58 120.26 2fe0 h GLU 83 Ca -0.42 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 57.75 2fe0 h GLU 83 Cb 1.27 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2fe0 h GLU 83 CO 0.55 0.86 0.18 -2.95 -1.00 0.00 0.00 179.01 176.65 2fe0 h ASN 84 N 0.86 0.00 -0.00 1.42 -0.00 -2.05 -3.45 115.58 112.36 2fe0 h ASN 84 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 2fe0 h ASN 84 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.73 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 0.62 3.00 9.14 0.00 -0.77 -5.00 105.19 110.82 2fe0 n GLY 85 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 0.12 0.36 -0.16 1.61 2.02 -1.25 -1.33 118.70 120.07 2fe0 s GLU 86 Ca 0.00 -0.65 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 2fe0 s GLU 86 Cb 0.00 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.32 2fe0 s GLU 86 CO 0.00 -0.06 0.05 -1.58 0.02 0.00 0.00 175.26 173.69 2fe0 s TRP 87 N -1.70 3.26 -0.08 1.61 0.52 -0.66 -0.78 118.94 121.10 2fe0 s TRP 87 Ca -0.14 0.12 0.02 0.00 0.02 0.00 0.00 56.10 56.12 2fe0 s TRP 87 Cb -0.08 -2.00 -0.02 0.00 -1.15 0.00 0.00 33.47 30.22 2fe0 s TRP 87 CO -0.02 0.26 -0.13 0.08 0.02 0.00 0.00 176.95 177.16 2fe0 s VAL 88 N -0.02 3.10 -0.18 4.03 1.01 0.04 -1.35 120.40 127.04 2fe0 s VAL 88 Ca 0.06 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2fe0 s VAL 88 Cb -0.12 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.07 2fe0 s VAL 88 CO 0.01 0.56 0.13 0.00 0.00 0.00 0.00 175.10 175.81 2fe0 s ALA 89 N -0.28 0.18 0.05 5.51 0.00 -1.18 -2.36 121.76 123.69 2fe0 s ALA 89 Ca 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 51.96 2fe0 s ALA 89 Cb -0.13 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 2fe0 s ALA 89 CO 0.03 -1.16 -0.21 -1.54 0.00 0.00 0.00 175.76 172.88 2fe0 s SER 90 N 2.20 2.51 -0.23 0.00 1.04 -1.20 -3.14 113.70 114.87 2fe0 s SER 90 Ca 0.04 -0.54 -0.26 0.00 0.48 0.00 0.00 55.95 55.66 2fe0 s SER 90 Cb -0.16 -0.20 0.08 0.00 0.10 0.00 0.00 66.02 65.84 2fe0 s SER 90 CO -0.10 0.15 0.78 0.54 0.98 0.00 0.00 173.24 175.60 2fe0 s VAL 91 N -0.84 0.00 -0.16 5.02 0.11 -1.05 -3.21 120.40 120.27 2fe0 s VAL 91 Ca 0.07 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.05 2fe0 s VAL 91 Cb -0.09 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2fe0 s VAL 91 CO 0.02 0.00 0.11 -0.69 -3.33 0.00 0.00 175.10 171.21 2fe0 s VAL 92 N 0.03 5.26 -0.15 2.04 1.01 -1.26 -1.91 120.40 125.42 2fe0 s VAL 92 Ca -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 2fe0 s VAL 92 Cb -0.04 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2fe0 s VAL 92 CO 0.01 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 174.89 2fe0 s VAL 93 N -0.25 3.78 0.23 2.92 1.01 0.10 -5.00 120.40 123.19 2fe0 s VAL 93 Ca 0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2fe0 s VAL 93 Cb -0.12 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 2fe0 s VAL 93 CO 0.01 0.50 0.51 -0.31 0.00 0.00 0.00 175.10 175.81 2fe0 s TYR 94 N 0.30 3.46 0.68 5.22 2.02 -1.26 -2.40 117.35 125.37 2fe0 s TYR 94 Ca -0.04 0.70 -0.16 0.00 -0.37 0.00 0.00 57.07 57.19 2fe0 s TYR 94 Cb -0.14 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2fe0 s TYR 94 CO 0.03 0.27 1.22 -1.25 -1.57 0.00 0.00 175.55 174.25 2fe0 s PRO 95 N -3.07 2.43 -1.79 -1.71 0.04 -1.26 -2.89 135.00 126.75 2fe0 s PRO 95 Ca 0.44 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2fe0 s PRO 95 Cb -0.11 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2fe0 s PRO 95 CO 0.25 -1.62 0.00 0.00 0.04 0.00 0.00 177.00 175.67 2fe0 s GLU 97 N -4.74 1.05 -0.02 0.00 2.56 -1.14 -5.14 118.70 111.27 2fe0 s GLU 97 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.97 54.67 2fe0 s GLU 97 Cb 0.00 0.48 -0.01 0.00 2.00 0.00 0.00 34.13 36.60 2fe0 s GLU 97 CO 0.00 -0.39 -0.15 0.99 -0.56 0.00 0.00 175.26 175.15 2fe0 s THR 98 N -2.78 1.20 0.17 -1.70 2.01 -1.26 -4.14 115.64 109.13 2fe0 s THR 98 Ca -0.03 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.41 2fe0 s THR 98 Cb -0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2fe0 s THR 98 CO -0.04 0.35 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.49 2fe0 s GLU 99 N -0.13 1.18 0.39 4.92 2.02 -1.25 -5.05 118.70 120.78 2fe0 s GLU 99 Ca 0.01 -1.45 -0.09 0.00 0.02 0.00 0.00 54.97 53.45 2fe0 s GLU 99 Cb -0.08 -0.95 -0.06 0.00 0.10 0.00 0.00 34.13 33.14 2fe0 s GLU 99 CO 0.00 0.16 0.74 -1.64 0.02 0.00 0.00 175.26 174.54 2fe0 s MET 100 N -3.38 3.74 0.00 1.61 -1.94 -1.26 -3.48 119.30 114.59 2fe0 s MET 100 Ca 0.17 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 2fe0 s MET 100 Cb -0.01 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 34.40 2fe0 s MET 100 CO 0.04 -0.01 0.00 0.34 -0.01 0.00 0.00 175.02 175.38 2fe0 n PHE 101 N -1.31 0.00 -4.45 -0.03 7.35 -0.85 -4.44 117.46 113.74 2fe0 n PHE 101 Ca 0.02 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.48 2fe0 n PHE 101 Cb 0.54 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.27 2fe0 n PHE 101 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2fe0 s ILE 102 N 1.38 2.18 0.04 -2.13 -5.25 -1.25 0.46 121.20 116.63 2fe0 s ILE 102 Ca 0.00 -2.30 -0.03 0.00 -0.99 0.00 0.00 60.65 57.33 2fe0 s ILE 102 Cb 0.00 -2.32 -0.02 0.00 2.95 0.00 0.00 42.46 43.07 2fe0 s ILE 102 CO 0.00 -0.40 0.03 -0.70 -1.79 0.00 0.00 174.94 172.09 2fe0 s GLU 103 N -3.58 0.51 0.00 0.37 2.12 -0.35 0.36 118.70 118.13 2fe0 s GLU 103 Ca 0.29 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2fe0 s GLU 103 Cb -0.02 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2fe0 s GLU 103 CO 0.13 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 2fe0 n GLY 104 N 0.85 0.49 3.87 -1.50 0.00 -0.94 0.27 105.19 108.23 2fe0 n GLY 104 Ca -0.19 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.17 3.66 -0.02 1.61 3.52 0.53 -4.83 118.95 123.25 2fe0 s ARG 105 Ca 0.00 0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.73 2fe0 s ARG 105 Cb 0.00 -3.15 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 2fe0 s ARG 105 CO 0.00 0.70 -0.15 0.08 -0.81 0.00 0.00 175.30 175.12 2fe0 s VAL 106 N -1.15 1.21 -0.05 7.11 1.01 -1.26 -3.27 120.40 123.99 2fe0 s VAL 106 Ca 0.23 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2fe0 s VAL 106 Cb -0.14 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.24 2fe0 s VAL 106 CO 0.12 0.35 0.02 0.54 0.00 0.00 0.00 175.10 176.12 2fe0 s ASN 107 N -0.13 1.19 -0.04 3.32 2.20 -1.26 -4.99 114.94 115.23 2fe0 s ASN 107 Ca 0.01 -0.02 -0.02 0.00 -0.94 0.00 0.00 52.86 51.89 2fe0 s ASN 107 Cb -0.08 -0.30 0.01 0.00 -2.00 0.00 0.00 41.25 38.87 2fe0 s ASN 107 CO 0.01 -0.19 0.03 0.61 -2.94 0.00 0.00 177.10 174.62 2fe0 n GLY 108 N 4.96 -0.88 3.10 0.45 0.00 -1.26 -4.56 105.19 107.00 2fe0 n GLY 108 Ca -0.10 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.43 0.64 -0.16 1.61 -0.71 -1.26 -4.36 117.98 113.31 2fe0 s PHE 109 Ca -0.04 -0.82 -0.04 0.00 -1.04 0.00 0.00 56.93 55.00 2fe0 s PHE 109 Cb 0.00 -0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 41.38 2fe0 s PHE 109 CO 0.14 -0.21 -0.02 0.21 -1.34 0.00 0.00 175.22 173.99 2fe0 s LYS 110 N -3.04 3.69 -0.10 1.99 2.20 -0.82 -4.99 119.74 118.68 2fe0 s LYS 110 Ca 0.02 -0.50 -0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2fe0 s LYS 110 Cb 0.01 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 2fe0 s LYS 110 CO -0.05 0.22 -0.08 -1.12 -0.36 0.00 0.00 175.35 173.96 2fe0 s SER 111 N 0.44 4.54 -0.04 1.43 0.01 -1.26 -0.53 113.70 118.29 2fe0 s SER 111 Ca -0.03 -0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.12 2fe0 s SER 111 Cb -0.14 -1.39 0.03 0.00 0.21 0.00 0.00 66.02 64.73 2fe0 s SER 111 CO 0.03 0.28 0.00 -0.75 0.41 0.00 0.00 173.24 173.21 2fe0 s LYS 112 N -0.29 0.38 0.23 12.44 2.20 0.18 -4.99 119.74 129.89 2fe0 s LYS 112 Ca 0.04 0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.78 2fe0 s LYS 112 Cb -0.13 -0.65 -0.05 0.00 -1.51 0.00 0.00 37.83 35.50 2fe0 s LYS 112 CO 0.02 -0.20 0.04 -1.64 -0.36 0.00 0.00 175.35 173.22 2fe0 s MET 113 N 1.42 1.32 0.28 4.03 -1.94 -1.26 -1.10 119.30 122.05 2fe0 s MET 113 Ca -0.04 -1.68 -0.13 0.00 -1.71 0.00 0.00 55.69 52.13 2fe0 s MET 113 Cb -0.13 -0.39 0.01 0.00 2.01 0.00 0.00 34.83 36.33 2fe0 s MET 113 CO -0.03 -0.19 0.55 0.34 -0.01 0.00 0.00 175.02 175.68 2fe0 s ASP 114 N -3.28 0.05 -0.48 3.03 -1.08 -1.20 -5.04 116.67 108.66 2fe0 s ASP 114 Ca 0.31 -1.00 0.03 0.00 -0.52 0.00 0.00 52.55 51.38 2fe0 s ASP 114 Cb 0.07 0.65 0.14 0.00 -1.46 0.00 0.00 42.92 42.31 2fe0 s ASP 114 CO 0.10 -1.26 0.27 0.00 0.52 0.00 0.00 175.17 174.80 2fe0 s ALA 115 N -3.66 2.65 0.27 3.66 0.00 -1.26 -3.53 121.76 119.88 2fe0 s ALA 115 Ca 0.21 -2.91 -0.00 0.00 0.00 0.00 0.00 51.96 49.26 2fe0 s ALA 115 Cb -0.02 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2fe0 s ALA 115 CO 0.11 -2.05 0.46 -0.51 0.00 0.00 0.00 175.76 173.77 2fe0 s LEU 116 N -0.00 4.14 0.25 0.00 1.43 -1.12 -4.92 118.68 118.46 2fe0 s LEU 116 Ca 0.18 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.40 2fe0 s LEU 116 Cb -0.23 -3.22 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 2fe0 s LEU 116 CO -0.02 -0.15 0.99 -2.16 0.23 0.00 0.00 176.35 175.24 2fe0 s PRO 117 N -3.78 4.78 -0.87 1.29 0.04 -1.26 0.00 135.00 135.21 2fe0 s PRO 117 Ca 0.39 1.59 -0.33 0.00 0.04 0.00 0.00 61.00 62.69 2fe0 s PRO 117 Cb -0.10 -3.25 -0.20 0.00 0.04 0.00 0.00 34.50 30.98 2fe0 s PRO 117 CO 0.32 0.41 2.57 1.28 0.04 0.00 0.00 177.00 181.62 2fe0 n LEU 118 N 1.45 0.53 -4.53 -3.56 4.77 -1.23 -4.70 117.00 109.73 2fe0 n LEU 118 Ca -0.02 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.92 2fe0 n LEU 118 Cb 0.46 -0.96 0.24 0.00 -2.33 0.00 0.00 43.42 40.83 2fe0 n LEU 118 CO 0.51 -0.78 0.55 -0.44 -1.33 0.00 0.00 177.39 175.90 2fe0 s SER 119 N 8.61 1.18 0.53 -1.43 0.01 -1.26 -4.77 113.70 116.57 2fe0 s SER 119 Ca 1.30 1.27 0.26 0.00 1.31 0.00 0.00 55.95 60.10 2fe0 s SER 119 Cb -1.23 -1.96 1.41 0.00 0.21 0.00 0.00 66.02 64.44 2fe0 s SER 119 CO 0.51 -4.04 1.97 1.05 0.41 0.00 0.00 173.24 173.14 2fe0 h GLU 120 N -2.51 0.01 -0.64 12.44 4.11 -2.02 0.17 114.58 126.13 2fe0 h GLU 120 Ca -0.58 -0.00 0.02 0.00 0.07 0.00 0.00 59.36 58.87 2fe0 h GLU 120 Cb 1.34 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2fe0 h GLU 120 CO 0.50 0.01 0.43 1.49 0.07 0.00 0.00 179.01 181.50 2fe0 h GLU 121 N 0.01 0.79 -0.46 1.06 4.57 -1.98 -2.11 114.58 116.46 2fe0 h GLU 121 Ca 0.29 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.47 2fe0 h GLU 121 Cb 1.14 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.51 2fe0 h GLU 121 CO -0.01 0.52 0.20 -0.92 -1.18 0.00 0.00 179.01 177.63 2fe0 h TYR 122 N 0.82 0.37 -0.38 0.92 3.20 -0.95 0.33 116.97 121.27 2fe0 h TYR 122 Ca 0.25 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2fe0 h TYR 122 Cb -0.01 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2fe0 h TYR 122 CO -0.00 0.17 0.23 0.00 -1.64 0.00 0.00 178.16 176.92 2fe0 h ARG 123 N 0.40 0.52 -0.44 1.82 2.47 -1.46 -2.25 114.38 115.44 2fe0 h ARG 123 Ca 0.21 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.83 2fe0 h ARG 123 Cb 0.15 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 2fe0 h ARG 123 CO -0.17 0.38 0.07 0.37 0.56 0.00 0.00 179.97 181.18 2fe0 h GLN 124 N 0.51 0.67 -0.86 0.04 4.15 -1.02 -2.56 115.11 116.05 2fe0 h GLN 124 Ca 0.14 -0.14 0.06 0.00 0.77 0.00 0.00 58.65 59.48 2fe0 h GLN 124 Cb -0.00 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.52 2fe0 h GLN 124 CO -0.03 0.65 0.53 1.25 -1.93 0.00 0.00 178.83 179.30 2fe0 h HIS 125 N 0.65 0.98 0.00 3.99 2.76 0.22 0.06 115.15 123.81 2fe0 h HIS 125 Ca 0.14 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2fe0 h HIS 125 Cb 0.31 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2fe0 h HIS 125 CO 0.01 0.50 0.48 1.96 -1.30 0.00 0.00 177.93 179.59 2fe0 h GLN 126 N 0.97 0.00 0.00 5.26 4.20 -1.07 0.31 115.11 124.78 2fe0 h GLN 126 Ca 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 2fe0 h GLN 126 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2fe0 h GLN 126 CO -0.17 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 177.96 2fe0 h ALA 127 N 0.96 1.88 -0.11 3.87 0.00 -1.10 2.71 119.26 127.46 2fe0 h ALA 127 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2fe0 h ALA 127 Cb 0.96 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2fe0 h ALA 127 CO 0.00 0.04 -0.66 1.05 0.00 0.00 0.00 179.25 179.68 2fe0 h GLU 128 N 0.00 0.64 0.08 0.00 4.11 -0.56 -3.33 114.58 115.52 2fe0 h GLU 128 Ca -0.00 -0.54 -0.33 0.00 0.07 0.00 0.00 59.36 58.56 2fe0 h GLU 128 Cb 0.06 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2fe0 h GLU 128 CO 0.00 1.16 -1.83 1.57 0.07 0.00 0.00 179.01 179.99 2fe0 h LYS 129 N 0.30 0.16 -6.21 1.06 2.10 -1.52 -3.47 116.57 108.99 2fe0 h LYS 129 Ca -0.05 -0.28 -0.58 0.00 -2.00 0.00 0.00 60.65 57.74 2fe0 h LYS 129 Cb 1.30 0.10 -0.08 0.00 -0.90 0.00 0.00 32.23 32.66 2fe0 h LYS 129 CO 0.14 0.92 -0.58 -0.51 -2.00 0.00 0.00 179.45 177.42 2fe0 s ASP 130 N -6.67 5.44 0.00 7.07 1.01 0.90 -5.12 116.67 119.31 2fe0 s ASP 130 Ca -0.14 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 52.98 2fe0 s ASP 130 Cb 0.07 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.60 2fe0 s ASP 130 CO 0.80 0.08 0.00 2.29 0.21 0.00 0.00 175.17 178.56