#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 0.38 0.37 3.03 0.00 -1.26 -4.94 105.19 102.77 2fe0 n GLY 2 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.38 0.23 0.25 0.00 0.00 -1.26 -5.01 105.19 98.02 2fe0 n GLY 4 Ca 0.15 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.19 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 h ALA 5 N 0.00 1.34 -0.06 4.61 0.00 -2.02 -1.28 119.26 121.85 2fe0 h ALA 5 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2fe0 h ALA 5 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2fe0 h ALA 5 CO 0.00 0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.89 2fe0 n SER 6 N -3.77 0.54 -0.17 0.00 7.64 -1.26 -3.98 113.62 112.62 2fe0 n SER 6 Ca -0.02 -2.01 0.15 0.00 1.01 0.00 0.00 58.87 57.99 2fe0 n SER 6 Cb 0.27 -0.13 0.49 0.00 -1.01 0.00 0.00 64.21 63.83 2fe0 n SER 6 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2fe0 h SER 7 N 0.37 0.41 -2.41 6.43 0.87 -1.62 -3.41 113.55 114.19 2fe0 h SER 7 Ca 0.00 0.02 -0.56 0.00 -1.23 0.00 0.00 61.79 60.02 2fe0 h SER 7 Cb 0.19 -0.06 0.06 0.00 -0.44 0.00 0.00 62.40 62.14 2fe0 h SER 7 CO 0.01 0.22 0.89 -0.62 -0.53 0.00 0.00 176.83 176.80 2fe0 n GLU 8 N -4.48 2.40 -0.01 2.24 1.02 -1.26 -4.88 120.64 115.67 2fe0 n GLU 8 Ca 0.14 0.87 -0.11 0.00 -0.02 0.00 0.00 57.16 58.04 2fe0 n GLU 8 Cb 0.51 -2.67 0.03 0.00 -0.02 0.00 0.00 31.44 29.29 2fe0 n GLU 8 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2fe0 h ASN 9 N 6.41 0.68 -4.06 1.62 2.35 -1.98 -3.44 115.58 117.16 2fe0 h ASN 9 Ca -0.44 -0.37 -0.53 0.00 -0.55 0.00 0.00 56.30 54.40 2fe0 h ASN 9 Cb 1.23 -0.20 0.11 0.00 0.05 0.00 0.00 38.32 39.52 2fe0 h ASN 9 CO 0.92 1.11 0.52 -0.44 -1.65 0.00 0.00 177.43 177.88 2fe0 s SER 10 N -6.94 5.45 0.00 5.81 0.01 -1.26 -4.84 113.70 111.92 2fe0 s SER 10 Ca -0.08 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.66 2fe0 s SER 10 Cb 0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2fe0 s SER 10 CO 0.85 -1.43 0.00 -0.24 0.41 0.00 0.00 173.24 172.84 2fe0 n SER 11 N -1.15 0.00 -3.79 2.44 2.88 -1.26 -5.09 113.62 107.65 2fe0 n SER 11 Ca 0.11 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2fe0 n SER 11 Cb 0.48 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.01 -0.02 2.46 1.01 -1.26 -4.94 120.40 117.65 2fe0 s VAL 12 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2fe0 s VAL 12 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.08 2fe0 s VAL 12 CO 0.00 0.01 -0.02 -0.89 0.00 0.00 0.00 175.10 174.20 2fe0 s THR 13 N 0.28 0.24 0.29 3.92 2.01 -1.26 -5.16 115.64 115.96 2fe0 s THR 13 Ca -0.01 -0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.06 2fe0 s THR 13 Cb -0.03 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 2fe0 s THR 13 CO -0.01 0.11 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.60 2fe0 s TYR 14 N 0.47 2.42 0.23 4.92 2.02 -1.26 -4.94 117.35 121.22 2fe0 s TYR 14 Ca -0.05 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2fe0 s TYR 14 Cb -0.08 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 2fe0 s TYR 14 CO -0.01 0.66 0.00 1.55 -1.57 0.00 0.00 175.55 176.18 2fe0 n VAL 15 N -0.73 0.00 0.22 0.71 3.14 -1.26 -4.87 118.33 115.53 2fe0 n VAL 15 Ca -0.05 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.42 2fe0 n VAL 15 Cb 0.60 -0.45 0.45 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 -0.10 6.55 2.35 -1.97 -3.48 115.58 118.94 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 0.25 0.00 0.61 -1.65 0.00 0.00 177.43 176.64 2fe0 n GLY 17 N 0.10 1.88 3.77 2.83 0.00 -1.26 -5.09 105.19 107.42 2fe0 n GLY 17 Ca -0.00 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 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 3.93 0.48 1.61 1.81 -1.26 -4.85 118.95 118.66 2fe0 s ARG 18 Ca 0.00 -0.20 -0.21 0.00 -1.72 0.00 0.00 55.73 53.60 2fe0 s ARG 18 Cb 0.00 -3.33 -0.11 0.00 -0.45 0.00 0.00 34.95 31.06 2fe0 s ARG 18 CO 0.00 0.45 0.48 -2.30 -0.68 0.00 0.00 175.30 173.26 2fe0 n PRO 19 N 3.02 0.51 0.00 3.54 -0.02 -1.26 -4.86 135.00 135.94 2fe0 n PRO 19 Ca -0.17 0.19 0.14 0.00 -2.02 0.00 0.00 63.50 61.63 2fe0 n PRO 19 Cb 0.53 -1.53 0.66 0.00 -0.02 0.00 0.00 33.50 33.14 2fe0 n PRO 19 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2fe0 n THR 20 N -1.19 0.10 -5.09 3.45 -2.24 -1.26 -4.73 114.28 103.32 2fe0 n THR 20 Ca 0.11 0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.63 2fe0 n THR 20 Cb 0.43 -0.56 -0.16 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.75 2.10 -0.08 4.78 5.36 -1.26 -5.10 117.98 121.03 2fe0 s PHE 21 Ca 0.21 -0.58 0.02 0.00 -0.96 0.00 0.00 56.93 55.62 2fe0 s PHE 21 Cb 0.18 -1.39 0.01 0.00 -0.34 0.00 0.00 43.02 41.49 2fe0 s PHE 21 CO 0.46 -0.17 -0.13 0.08 -1.46 0.00 0.00 175.22 174.01 2fe0 s VAL 22 N -0.16 1.22 0.00 3.12 1.01 -1.26 -5.04 120.40 119.30 2fe0 s VAL 22 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2fe0 s VAL 22 Cb -0.12 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2fe0 s VAL 22 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2fe0 n GLY 23 N 4.05 0.91 2.07 4.51 0.00 -1.26 -4.92 105.19 110.54 2fe0 n GLY 23 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2fe0 n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fe0 n GLU 24 N 0.00 0.00 -3.44 1.61 1.02 0.77 -4.85 120.64 115.75 2fe0 n GLU 24 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 2fe0 n GLU 24 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2fe0 s GLU 25 N -2.00 4.28 -0.05 3.49 2.56 -0.92 -4.96 118.70 121.11 2fe0 s GLU 25 Ca 0.00 0.23 0.06 0.00 0.00 0.00 0.00 54.97 55.26 2fe0 s GLU 25 Cb 0.00 -3.44 -0.02 0.00 2.00 0.00 0.00 34.13 32.67 2fe0 s GLU 25 CO 0.00 0.18 -0.23 0.08 -0.56 0.00 0.00 175.26 174.73 2fe0 s VAL 26 N 0.63 2.31 -0.07 3.70 1.01 -1.26 -1.58 120.40 125.14 2fe0 s VAL 26 Ca 0.20 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2fe0 s VAL 26 Cb -0.14 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2fe0 s VAL 26 CO 0.06 0.58 0.16 -0.89 0.00 0.00 0.00 175.10 175.02 2fe0 s THR 27 N -0.41 -0.03 0.05 3.92 2.01 -0.48 -4.93 115.64 115.77 2fe0 s THR 27 Ca 0.04 0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 2fe0 s THR 27 Cb -0.12 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.07 2fe0 s THR 27 CO 0.01 0.05 0.57 -1.59 -0.69 0.00 0.00 174.62 172.98 2fe0 s LYS 28 N 0.82 4.24 0.00 4.92 0.00 -1.26 0.30 119.74 128.76 2fe0 s LYS 28 Ca -0.06 0.73 0.00 0.00 0.00 0.00 0.00 55.97 56.64 2fe0 s LYS 28 Cb -0.08 -3.27 0.00 0.00 0.00 0.00 0.00 37.83 34.48 2fe0 s LYS 28 CO -0.04 0.56 0.16 0.41 0.00 0.00 0.00 175.35 176.43 2fe0 n GLY 29 N 1.95 -0.56 3.74 0.59 0.00 -1.01 -4.82 105.19 105.07 2fe0 n GLY 29 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.13 3.56 -0.93 1.61 0.08 -1.26 -4.94 117.98 114.97 2fe0 s PHE 30 Ca 0.00 1.58 -0.04 0.00 0.12 0.00 0.00 56.93 58.59 2fe0 s PHE 30 Cb 0.00 -3.30 0.17 0.00 -0.57 0.00 0.00 43.02 39.32 2fe0 s PHE 30 CO 0.00 -0.70 2.36 -1.91 -0.10 0.00 0.00 175.22 174.87 2fe0 n GLU 31 N 2.26 3.82 -3.84 0.44 4.07 -1.26 -4.49 120.64 121.64 2fe0 n GLU 31 Ca 0.03 -3.34 -0.12 0.00 -0.06 0.00 0.00 57.16 53.66 2fe0 n GLU 31 Cb 0.46 -2.40 -0.11 0.00 -0.06 0.00 0.00 31.44 29.33 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2fe0 s LYS 32 N -2.31 0.35 5.92 5.31 2.47 -1.26 -5.03 119.74 125.18 2fe0 s LYS 32 Ca 0.53 -0.06 0.00 0.00 -1.56 0.00 0.00 55.97 54.87 2fe0 s LYS 32 Cb 0.28 0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.81 2fe0 s LYS 32 CO -0.19 -0.07 0.00 -3.47 0.16 0.00 0.00 175.35 171.78 2fe0 n ASP 33 N 2.22 0.00 -0.45 1.43 2.03 -1.26 -1.72 116.55 118.80 2fe0 n ASP 33 Ca -0.18 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.17 2fe0 n ASP 33 Cb 0.57 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.08 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2fe0 n ASN 34 N 1.86 1.32 0.00 1.67 3.02 -1.26 -4.84 115.26 117.03 2fe0 n ASN 34 Ca 0.00 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 2fe0 n ASN 34 Cb 0.00 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fe0 n GLY 35 N 0.89 3.01 5.01 7.41 0.00 -0.70 -4.75 105.19 116.06 2fe0 n GLY 35 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.73 0.99 4.77 -1.26 -4.15 117.00 112.62 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 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2fe0 n LEU 36 CO 0.00 0.00 -0.19 -0.22 -1.33 0.00 0.00 177.39 175.65 2fe0 s LEU 37 N 0.00 4.14 -0.12 2.23 2.96 -1.26 -2.95 118.68 123.68 2fe0 s LEU 37 Ca 0.00 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2fe0 s LEU 37 Cb 0.00 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 2fe0 s LEU 37 CO 0.00 0.20 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.76 2fe0 s PHE 38 N 0.21 2.84 -0.58 5.38 0.08 -1.24 -2.41 117.98 122.26 2fe0 s PHE 38 Ca 0.08 -0.49 -0.22 0.00 0.12 0.00 0.00 56.93 56.42 2fe0 s PHE 38 Cb -0.11 -1.83 0.06 0.00 -0.57 0.00 0.00 43.02 40.57 2fe0 s PHE 38 CO -0.01 -0.11 0.84 0.50 -0.10 0.00 0.00 175.22 176.34 2fe0 s ARG 39 N 0.16 3.18 -0.12 0.44 3.52 0.89 -3.59 118.95 123.42 2fe0 s ARG 39 Ca -0.06 -0.71 -0.19 0.00 -0.13 0.00 0.00 55.73 54.64 2fe0 s ARG 39 Cb -0.15 -4.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.06 2fe0 s ARG 39 CO 0.04 -1.52 0.51 0.42 -0.81 0.00 0.00 175.30 173.94 2fe0 s ILE 40 N 3.50 5.16 -0.06 4.11 1.01 -0.19 -1.38 121.20 133.35 2fe0 s ILE 40 Ca 0.22 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.89 2fe0 s ILE 40 Cb -0.17 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.47 2fe0 s ILE 40 CO 0.13 0.30 -0.06 -0.69 0.00 0.00 0.00 174.94 174.62 2fe0 s VAL 41 N 0.76 0.72 -0.43 2.92 1.01 -0.61 -0.28 120.40 124.48 2fe0 s VAL 41 Ca 0.27 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 2fe0 s VAL 41 Cb -0.15 -0.73 0.08 0.00 0.00 0.00 0.00 36.38 35.58 2fe0 s VAL 41 CO 0.11 0.28 0.29 0.21 0.00 0.00 0.00 175.10 175.99 2fe0 s ASN 42 N 1.08 5.71 0.48 3.32 3.04 -1.12 -0.17 114.94 127.28 2fe0 s ASN 42 Ca -0.08 -1.55 0.20 0.00 0.04 0.00 0.00 52.86 51.47 2fe0 s ASN 42 Cb -0.14 -2.01 1.21 0.00 -1.54 0.00 0.00 41.25 38.77 2fe0 s ASN 42 CO -0.01 -0.58 1.96 0.11 -3.04 0.00 0.00 177.10 175.55 2fe0 h LYS 43 N 8.46 0.22 0.00 0.43 1.57 -1.90 2.51 116.57 127.85 2fe0 h LYS 43 Ca -0.23 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2fe0 h LYS 43 Cb 1.08 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2fe0 h LYS 43 CO 0.79 0.14 0.00 1.17 -0.57 0.00 0.00 179.45 180.98 2fe0 n LYS 44 N -4.43 0.00 0.00 3.15 0.00 -1.26 -2.79 118.16 112.83 2fe0 n LYS 44 Ca 0.12 0.78 0.12 0.00 0.00 0.00 0.00 58.31 59.33 2fe0 n LYS 44 Cb 0.56 -1.47 0.24 0.00 0.00 0.00 0.00 35.03 34.35 2fe0 n LYS 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2fe0 n LYS 45 N -2.51 1.22 -2.77 1.64 5.02 -1.09 -4.94 118.16 114.72 2fe0 n LYS 45 Ca 0.00 -0.87 -0.21 0.00 -2.02 0.00 0.00 58.31 55.21 2fe0 n LYS 45 Cb 0.00 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.54 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2fe0 n LYS 46 N -0.13 -3.38 -3.59 1.97 4.76 0.84 -4.27 118.16 114.37 2fe0 n LYS 46 Ca 0.12 0.89 -0.36 0.00 -2.87 0.00 0.00 58.31 56.09 2fe0 n LYS 46 Cb 0.42 -5.65 -0.07 0.00 -1.84 0.00 0.00 35.03 27.88 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 -5.43 4.24 0.17 1.97 -2.07 -1.14 -2.58 119.66 114.82 2fe0 s GLN 47 Ca 0.17 0.00 -0.23 0.00 -1.82 0.00 0.00 55.36 53.49 2fe0 s GLN 47 Cb -0.08 -3.43 -0.08 0.00 -1.09 0.00 0.00 33.01 28.34 2fe0 s GLN 47 CO 0.21 0.25 0.73 -1.58 -1.32 0.00 0.00 175.29 173.58 2fe0 s TRP 48 N 0.45 3.82 0.01 9.60 0.52 0.28 -2.79 118.94 130.83 2fe0 s TRP 48 Ca 0.14 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.77 2fe0 s TRP 48 Cb -0.12 -2.68 -0.01 0.00 -1.15 0.00 0.00 33.47 29.51 2fe0 s TRP 48 CO 0.02 0.48 -0.03 0.00 0.02 0.00 0.00 176.95 177.43 2fe0 s ALA 49 N -1.25 0.24 -0.04 0.98 0.00 0.61 -1.22 121.76 121.07 2fe0 s ALA 49 Ca 0.37 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.05 2fe0 s ALA 49 Cb -0.21 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2fe0 s ALA 49 CO 0.23 -0.01 -0.22 0.71 0.00 0.00 0.00 175.76 176.47 2fe0 s TYR 50 N -0.62 2.15 -0.12 0.00 2.02 -1.22 -1.02 117.35 118.54 2fe0 s TYR 50 Ca -0.05 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.08 2fe0 s TYR 50 Cb -0.05 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.12 2fe0 s TYR 50 CO -0.00 -0.16 -0.15 -0.47 -1.57 0.00 0.00 175.55 173.20 2fe0 s TYR 51 N -0.20 2.02 -0.35 2.71 5.04 -1.24 -3.67 117.35 121.65 2fe0 s TYR 51 Ca -0.01 -1.00 -0.23 0.00 -2.44 0.00 0.00 57.07 53.39 2fe0 s TYR 51 Cb -0.12 -1.47 0.01 0.00 0.35 0.00 0.00 41.96 40.73 2fe0 s TYR 51 CO 0.02 -0.53 0.78 1.21 -1.34 0.00 0.00 175.55 175.69 2fe0 s ASN 52 N 1.14 6.56 -0.02 4.32 3.84 -1.25 -3.64 114.94 125.90 2fe0 s ASN 52 Ca -0.03 0.40 -0.11 0.00 0.21 0.00 0.00 52.86 53.33 2fe0 s ASN 52 Cb -0.14 -2.39 -0.32 0.00 -0.55 0.00 0.00 41.25 37.85 2fe0 s ASN 52 CO -0.04 -0.70 0.79 -0.78 -2.79 0.00 0.00 177.10 173.57 2fe0 h ASP 53 N 8.42 0.64 -2.53 -4.21 3.58 -1.90 -3.27 116.42 117.15 2fe0 h ASP 53 Ca -0.25 -0.86 -0.54 0.00 0.42 0.00 0.00 57.03 55.80 2fe0 h ASP 53 Cb 1.10 -0.21 0.06 0.00 1.72 0.00 0.00 39.33 41.99 2fe0 h ASP 53 CO 0.90 1.71 0.98 0.35 -2.88 0.00 0.00 179.24 180.30 2fe0 n THR 54 N -3.60 0.06 -0.78 2.25 -2.24 -1.26 -4.69 114.28 104.01 2fe0 n THR 54 Ca -0.21 -0.01 0.08 0.00 -2.27 0.00 0.00 64.05 61.64 2fe0 n THR 54 Cb 1.08 -1.90 0.35 0.00 -2.10 0.00 0.00 70.33 67.76 2fe0 n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2fe0 n THR 55 N 3.96 2.26 0.00 4.28 -2.24 -1.26 -4.20 114.28 117.08 2fe0 n THR 55 Ca 0.17 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 2fe0 n THR 55 Cb 0.34 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.62 2.98 -4.11 -0.78 0.00 -1.26 -5.05 117.38 109.78 2fe0 n GLN 56 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 57.11 2fe0 n GLN 56 Cb 1.00 -0.65 -0.13 0.00 0.00 0.00 0.00 30.24 30.47 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 -0.97 0.60 -0.02 2.61 2.02 -1.26 -3.52 117.35 116.81 2fe0 s TYR 57 Ca 0.00 -0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.20 2fe0 s TYR 57 Cb 0.00 -0.37 -0.05 0.00 -0.40 0.00 0.00 41.96 41.14 2fe0 s TYR 57 CO 0.00 -0.05 0.47 -1.83 -1.57 0.00 0.00 175.55 172.57 2fe0 s GLU 58 N -1.00 4.13 -0.31 -0.62 1.03 0.13 -4.65 118.70 117.41 2fe0 s GLU 58 Ca -0.05 0.50 -0.22 0.00 0.03 0.00 0.00 54.97 55.23 2fe0 s GLU 58 Cb -0.07 -3.30 -0.00 0.00 -0.80 0.00 0.00 34.13 29.96 2fe0 s GLU 58 CO 0.00 0.50 0.73 -1.64 -1.33 0.00 0.00 175.26 173.53 2fe0 s MET 59 N -0.52 3.91 -0.15 -4.83 -1.94 -1.15 -2.27 119.30 112.34 2fe0 s MET 59 Ca 0.26 0.45 -0.14 0.00 -1.71 0.00 0.00 55.69 54.54 2fe0 s MET 59 Cb -0.17 -3.74 -0.05 0.00 2.01 0.00 0.00 34.83 32.89 2fe0 s MET 59 CO 0.14 -0.67 0.32 -1.01 -0.01 0.00 0.00 175.02 173.79 2fe0 s HIS 60 N 2.86 3.47 -0.19 -0.03 3.76 -0.93 -2.45 115.29 121.78 2fe0 s HIS 60 Ca 0.30 0.64 -0.06 0.00 -0.15 0.00 0.00 55.06 55.79 2fe0 s HIS 60 Cb -0.14 -2.37 -0.03 0.00 1.11 0.00 0.00 32.58 31.14 2fe0 s HIS 60 CO 0.13 0.23 0.02 0.08 -0.85 0.00 0.00 174.74 174.34 2fe0 s VAL 61 N 0.49 4.23 -0.34 -0.90 1.01 -1.04 -3.14 120.40 120.72 2fe0 s VAL 61 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2fe0 s VAL 61 Cb -0.13 -2.90 0.14 0.00 0.00 0.00 0.00 36.38 33.49 2fe0 s VAL 61 CO 0.05 0.45 0.26 -0.22 0.00 0.00 0.00 175.10 175.63 2fe0 s LEU 62 N 0.69 0.44 -0.09 3.92 2.96 -0.40 -2.50 118.68 123.70 2fe0 s LEU 62 Ca 0.01 -1.70 0.02 0.00 -0.22 0.00 0.00 54.13 52.25 2fe0 s LEU 62 Cb -0.14 0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.55 2fe0 s LEU 62 CO 0.02 -0.32 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.87 2fe0 s VAL 63 N 1.49 2.76 -0.08 1.68 1.01 -1.20 -0.46 120.40 125.60 2fe0 s VAL 63 Ca 0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2fe0 s VAL 63 Cb -0.18 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2fe0 s VAL 63 CO -0.10 0.55 -0.04 -0.89 0.00 0.00 0.00 175.10 174.62 2fe0 s THR 64 N -0.02 3.96 0.31 3.92 2.01 0.18 -2.82 115.64 123.17 2fe0 s THR 64 Ca -0.05 -0.38 0.09 0.00 0.31 0.00 0.00 61.69 61.66 2fe0 s THR 64 Cb -0.14 -2.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.66 2fe0 s THR 64 CO 0.04 0.59 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.11 2fe0 s PHE 65 N -0.71 2.21 0.42 4.92 0.40 0.26 -0.67 117.98 124.81 2fe0 s PHE 65 Ca 0.11 -0.55 -0.10 0.00 -0.60 0.00 0.00 56.93 55.79 2fe0 s PHE 65 Cb -0.11 -1.23 -0.06 0.00 0.51 0.00 0.00 43.02 42.13 2fe0 s PHE 65 CO 0.02 0.49 0.79 1.21 0.70 0.00 0.00 175.22 178.42 2fe0 s ASN 66 N -3.53 6.49 0.26 1.36 2.47 -1.26 -0.40 114.94 120.33 2fe0 s ASN 66 Ca 0.31 1.14 -0.02 0.00 0.42 0.00 0.00 52.86 54.70 2fe0 s ASN 66 Cb 0.02 -2.33 0.54 0.00 -1.45 0.00 0.00 41.25 38.04 2fe0 s ASN 66 CO 0.14 -0.44 1.68 -0.08 -3.72 0.00 0.00 177.10 174.69 2fe0 h GLU 67 N 1.09 0.29 -4.12 0.43 4.81 -1.60 -2.96 114.58 112.52 2fe0 h GLU 67 Ca -0.47 -0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.05 2fe0 h GLU 67 Cb 1.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2fe0 h GLU 67 CO 0.63 0.19 2.89 -0.25 -0.73 0.00 0.00 179.01 181.75 2fe0 n ASP 68 N -5.14 3.55 -3.38 1.04 8.00 -1.26 -4.76 116.55 114.61 2fe0 n ASP 68 Ca 0.17 -2.78 -0.06 0.00 0.71 0.00 0.00 54.79 52.83 2fe0 n ASP 68 Cb 0.52 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.07 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fe0 s ASP 70 N 2.65 6.30 0.24 0.00 2.15 -1.24 -4.92 116.67 121.84 2fe0 s ASP 70 Ca 0.11 -2.06 0.10 0.00 0.43 0.00 0.00 52.55 51.13 2fe0 s ASP 70 Cb -0.15 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 2fe0 s ASP 70 CO -0.17 -1.73 -0.18 0.27 -0.17 0.00 0.00 175.17 173.19 2fe0 s ILE 71 N 6.18 2.13 0.17 4.11 -4.36 -1.26 -0.43 121.20 127.75 2fe0 s ILE 71 Ca 0.57 -2.30 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 2fe0 s ILE 71 Cb 0.02 -2.17 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 2fe0 s ILE 71 CO 0.07 -0.47 0.00 -0.75 0.24 0.00 0.00 174.94 174.02 2fe0 s LYS 72 N -3.52 1.10 -0.04 0.37 2.20 -0.67 -4.96 119.74 114.22 2fe0 s LYS 72 Ca 0.26 -1.52 -0.08 0.00 -0.36 0.00 0.00 55.97 54.27 2fe0 s LYS 72 Cb -0.03 -0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 35.99 2fe0 s LYS 72 CO 0.11 -0.13 0.24 0.00 -0.36 0.00 0.00 175.35 175.22 2fe0 s ALA 73 N -3.66 3.84 0.37 3.13 0.00 -1.26 -2.40 121.76 121.77 2fe0 s ALA 73 Ca 0.23 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.73 2fe0 s ALA 73 Cb 0.06 -2.08 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 2fe0 s ALA 73 CO 0.04 0.62 -0.05 -0.51 0.00 0.00 0.00 175.76 175.85 2fe0 s LEU 74 N -1.40 2.81 0.00 0.00 1.43 0.71 -4.93 118.68 117.30 2fe0 s LEU 74 Ca 0.23 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2fe0 s LEU 74 Cb -0.13 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2fe0 s LEU 74 CO 0.12 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2fe0 n GLY 75 N -0.87 2.68 0.16 -3.19 0.00 -1.26 -1.19 105.19 101.52 2fe0 n GLY 75 Ca -0.05 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 0.48 -1.65 1.61 2.85 -1.26 -4.95 118.16 129.23 2fe0 n LYS 76 Ca 0.00 -0.33 -0.59 0.00 -1.05 0.00 0.00 58.31 56.34 2fe0 n LYS 76 Cb 0.00 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 32.81 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2fe0 n THR 77 N -0.97 0.10 -3.01 0.58 -1.04 -0.33 -4.88 114.28 104.72 2fe0 n THR 77 Ca 0.08 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.67 2fe0 n THR 77 Cb 0.36 -0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 68.12 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 2.03 4.45 -0.10 -2.82 2.20 -1.19 -4.50 119.74 119.81 2fe0 s LYS 78 Ca 0.96 0.94 0.03 0.00 -0.36 0.00 0.00 55.97 57.54 2fe0 s LYS 78 Cb -1.20 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 31.68 2fe0 s LYS 78 CO 0.64 0.05 -0.22 -1.17 -0.36 0.00 0.00 175.35 174.30 2fe0 s LEU 79 N 0.82 2.03 -0.04 5.43 2.96 -1.26 -3.29 118.68 125.33 2fe0 s LEU 79 Ca 0.39 -0.53 -0.17 0.00 -0.22 0.00 0.00 54.13 53.60 2fe0 s LEU 79 Cb -0.18 -1.34 0.03 0.00 0.50 0.00 0.00 46.19 45.20 2fe0 s LEU 79 CO 0.19 0.13 0.37 -0.70 -1.32 0.00 0.00 176.35 175.01 2fe0 s GLU 80 N 0.49 0.69 0.05 1.98 2.56 -1.01 -5.00 118.70 118.46 2fe0 s GLU 80 Ca -0.16 -0.04 0.01 0.00 0.00 0.00 0.00 54.97 54.79 2fe0 s GLU 80 Cb -0.17 0.31 -0.04 0.00 2.00 0.00 0.00 34.13 36.23 2fe0 s GLU 80 CO 0.06 -0.18 0.12 -1.14 -0.56 0.00 0.00 175.26 173.55 2fe0 s GLN 81 N -1.10 3.09 0.41 4.30 0.74 -1.26 -1.12 119.66 124.71 2fe0 s GLN 81 Ca -0.11 -0.56 0.08 0.00 0.05 0.00 0.00 55.36 54.81 2fe0 s GLN 81 Cb -0.04 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.22 2fe0 s GLN 81 CO 0.04 0.60 0.51 -0.65 -0.55 0.00 0.00 175.29 175.25 2fe0 s GLN 82 N -2.25 2.80 0.25 1.67 -1.52 0.09 -4.95 119.66 115.74 2fe0 s GLN 82 Ca 0.29 -1.27 -0.03 0.00 -1.95 0.00 0.00 55.36 52.39 2fe0 s GLN 82 Cb -0.12 -2.68 0.28 0.00 -0.22 0.00 0.00 33.01 30.27 2fe0 s GLN 82 CO 0.22 -0.21 1.74 0.93 -0.25 0.00 0.00 175.29 177.72 2fe0 h GLU 83 N 0.76 0.86 -0.12 2.91 5.08 -2.00 -2.15 114.58 119.93 2fe0 h GLU 83 Ca -0.41 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 57.75 2fe0 h GLU 83 Cb 1.27 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2fe0 h GLU 83 CO 0.49 0.85 0.15 -2.95 -1.00 0.00 0.00 179.01 176.54 2fe0 h ASN 84 N 0.80 0.00 0.00 1.42 -0.00 -2.05 -3.45 115.58 112.30 2fe0 h ASN 84 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.46 2fe0 h ASN 84 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 2fe0 h ASN 84 CO 0.02 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.06 2fe0 n GLY 85 N -1.35 0.58 3.02 9.14 0.00 -0.81 -5.02 105.19 110.76 2fe0 n GLY 85 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2fe0 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fe0 s GLU 86 N 0.50 0.43 -0.09 1.61 2.02 -1.25 -1.50 118.70 120.42 2fe0 s GLU 86 Ca 0.00 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.18 2fe0 s GLU 86 Cb 0.00 0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.21 2fe0 s GLU 86 CO 0.00 -0.03 0.07 -1.58 0.02 0.00 0.00 175.26 173.74 2fe0 s TRP 87 N -1.89 3.37 -0.06 1.61 0.52 0.46 -0.73 118.94 122.22 2fe0 s TRP 87 Ca -0.10 0.35 0.04 0.00 0.02 0.00 0.00 56.10 56.41 2fe0 s TRP 87 Cb -0.07 -1.85 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 2fe0 s TRP 87 CO -0.02 0.60 -0.19 0.08 0.02 0.00 0.00 176.95 177.44 2fe0 s VAL 88 N -0.98 1.60 -0.22 4.03 1.01 -0.27 -0.58 120.40 124.99 2fe0 s VAL 88 Ca 0.15 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2fe0 s VAL 88 Cb -0.12 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.96 2fe0 s VAL 88 CO 0.04 0.46 0.09 0.00 0.00 0.00 0.00 175.10 175.68 2fe0 s ALA 89 N 0.16 0.69 0.05 5.51 0.00 -1.13 -2.40 121.76 124.64 2fe0 s ALA 89 Ca -0.08 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.27 2fe0 s ALA 89 Cb -0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 2fe0 s ALA 89 CO 0.04 -1.33 -0.26 -1.54 0.00 0.00 0.00 175.76 172.67 2fe0 s SER 90 N 2.03 3.18 -0.27 0.00 1.04 -1.21 -3.26 113.70 115.20 2fe0 s SER 90 Ca 0.04 -0.59 -0.23 0.00 0.48 0.00 0.00 55.95 55.65 2fe0 s SER 90 Cb -0.16 -0.29 0.08 0.00 0.10 0.00 0.00 66.02 65.75 2fe0 s SER 90 CO -0.17 0.26 0.78 0.54 0.98 0.00 0.00 173.24 175.63 2fe0 s VAL 91 N -0.81 0.00 -0.06 5.02 0.11 -1.04 -3.14 120.40 120.48 2fe0 s VAL 91 Ca 0.12 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.02 2fe0 s VAL 91 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.02 0.00 0.38 -0.69 -3.33 0.00 0.00 175.10 171.48 2fe0 s VAL 92 N 0.63 5.14 -0.14 2.04 1.01 -1.26 -2.48 120.40 125.35 2fe0 s VAL 92 Ca -0.02 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2fe0 s VAL 92 Cb -0.05 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 2fe0 s VAL 92 CO -0.05 0.51 -0.17 -0.69 0.00 0.00 0.00 175.10 174.70 2fe0 s VAL 93 N -0.55 2.59 0.31 2.92 1.01 -1.02 -5.03 120.40 120.63 2fe0 s VAL 93 Ca 0.22 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2fe0 s VAL 93 Cb -0.15 -2.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 2fe0 s VAL 93 CO 0.10 0.53 0.62 -0.31 0.00 0.00 0.00 175.10 176.05 2fe0 s TYR 94 N 0.60 3.46 0.68 5.22 2.02 -1.26 -2.95 117.35 125.12 2fe0 s TYR 94 Ca -0.10 0.82 -0.17 0.00 -0.37 0.00 0.00 57.07 57.25 2fe0 s TYR 94 Cb -0.16 -2.24 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 2fe0 s TYR 94 CO 0.03 0.11 1.20 -0.35 -1.57 0.00 0.00 175.55 174.96 2fe0 n PRO 95 N -0.88 0.83 -2.75 -1.71 -0.04 -1.26 -2.70 135.00 126.48 2fe0 n PRO 95 Ca 0.00 0.34 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 2fe0 n PRO 95 Cb 0.54 -2.43 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 2fe0 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fe0 s GLU 97 N -5.41 0.81 -0.07 0.00 2.12 -1.10 -5.09 118.70 109.96 2fe0 s GLU 97 Ca 0.17 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 54.90 2fe0 s GLU 97 Cb -0.08 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.69 2fe0 s GLU 97 CO 0.21 -0.26 0.04 0.99 -0.54 0.00 0.00 175.26 175.70 2fe0 s THR 98 N -2.75 0.07 0.32 -1.70 2.01 -1.26 -3.88 115.64 108.45 2fe0 s THR 98 Ca -0.04 0.23 0.09 0.00 0.31 0.00 0.00 61.69 62.28 2fe0 s THR 98 Cb -0.00 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 2fe0 s THR 98 CO -0.05 0.14 0.01 -1.61 -0.69 0.00 0.00 174.62 172.42 2fe0 s GLU 99 N 2.09 2.13 0.44 4.92 0.41 -1.24 -4.97 118.70 122.48 2fe0 s GLU 99 Ca 0.04 -1.66 -0.13 0.00 -0.41 0.00 0.00 54.97 52.81 2fe0 s GLU 99 Cb -0.13 -1.99 -0.07 0.00 -1.78 0.00 0.00 34.13 30.16 2fe0 s GLU 99 CO -0.05 0.19 0.85 -1.64 -0.49 0.00 0.00 175.26 174.12 2fe0 s MET 100 N -3.71 3.86 0.00 1.61 -1.94 -1.26 -3.45 119.30 114.40 2fe0 s MET 100 Ca 0.34 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.99 2fe0 s MET 100 Cb -0.02 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.53 2fe0 s MET 100 CO 0.20 -0.12 0.00 0.34 -0.01 0.00 0.00 175.02 175.43 2fe0 n PHE 101 N -1.36 0.00 -4.23 -0.03 7.35 -0.36 -4.47 117.46 114.36 2fe0 n PHE 101 Ca 0.04 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.57 2fe0 n PHE 101 Cb 0.54 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.26 2fe0 n PHE 101 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2fe0 s ILE 102 N 1.08 1.20 0.30 -2.13 -5.25 -1.25 -0.20 121.20 114.94 2fe0 s ILE 102 Ca 0.00 -1.83 0.04 0.00 -0.99 0.00 0.00 60.65 57.87 2fe0 s ILE 102 Cb 0.00 -1.61 -0.01 0.00 2.95 0.00 0.00 42.46 43.79 2fe0 s ILE 102 CO 0.00 -0.57 0.14 -1.84 -1.79 0.00 0.00 174.94 170.88 2fe0 n GLU 103 N 0.26 0.57 0.00 0.37 0.28 -1.01 1.00 120.64 122.11 2fe0 n GLU 103 Ca -0.14 -2.64 0.00 0.00 -0.16 0.00 0.00 57.16 54.22 2fe0 n GLU 103 Cb 0.58 1.61 0.00 0.00 1.43 0.00 0.00 31.44 35.07 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 -0.20 -1.15 3.88 -1.84 0.00 -1.06 -1.66 105.19 103.16 2fe0 n GLY 104 Ca -0.02 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 3.62 -0.02 1.61 3.52 0.42 -4.86 118.95 123.23 2fe0 s ARG 105 Ca 0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 2fe0 s ARG 105 Cb 0.00 -3.06 -0.00 0.00 -1.56 0.00 0.00 34.95 30.32 2fe0 s ARG 105 CO 0.00 0.63 -0.12 0.08 -0.81 0.00 0.00 175.30 175.09 2fe0 s VAL 106 N -1.32 0.95 -0.11 7.11 1.01 -1.26 -3.67 120.40 123.12 2fe0 s VAL 106 Ca 0.29 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2fe0 s VAL 106 Cb -0.13 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.48 2fe0 s VAL 106 CO 0.16 0.28 0.20 0.54 0.00 0.00 0.00 175.10 176.28 2fe0 s ASN 107 N -0.03 0.67 -0.08 3.32 4.22 -1.26 -5.03 114.94 116.75 2fe0 s ASN 107 Ca 0.00 0.38 -0.06 0.00 -2.14 0.00 0.00 52.86 51.04 2fe0 s ASN 107 Cb -0.07 0.42 0.02 0.00 1.28 0.00 0.00 41.25 42.89 2fe0 s ASN 107 CO 0.00 -0.25 0.11 0.61 -2.04 0.00 0.00 177.10 175.54 2fe0 n GLY 108 N 5.33 -2.83 3.15 0.45 0.00 -1.26 -4.61 105.19 105.42 2fe0 n GLY 108 Ca -0.05 0.83 -0.08 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.34 0.27 -0.18 1.61 -0.71 -1.26 -4.16 117.98 113.21 2fe0 s PHE 109 Ca -0.13 -0.71 -0.06 0.00 -1.04 0.00 0.00 56.93 55.00 2fe0 s PHE 109 Cb 0.01 -0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.61 2fe0 s PHE 109 CO 0.35 -0.45 0.02 0.21 -1.34 0.00 0.00 175.22 174.01 2fe0 s LYS 110 N -3.55 3.76 -0.09 1.99 2.20 0.15 -4.97 119.74 119.24 2fe0 s LYS 110 Ca 0.03 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 2fe0 s LYS 110 Cb 0.04 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2fe0 s LYS 110 CO -0.09 0.16 -0.11 -1.12 -0.36 0.00 0.00 175.35 173.83 2fe0 s SER 111 N 0.62 4.23 -0.06 1.43 0.01 -1.26 0.48 113.70 119.15 2fe0 s SER 111 Ca 0.00 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 2fe0 s SER 111 Cb -0.14 -1.24 0.04 0.00 0.21 0.00 0.00 66.02 64.89 2fe0 s SER 111 CO 0.02 0.28 0.11 -0.75 0.41 0.00 0.00 173.24 173.30 2fe0 s LYS 112 N -0.31 0.01 0.18 12.44 2.20 0.39 -4.99 119.74 129.66 2fe0 s LYS 112 Ca 0.03 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2fe0 s LYS 112 Cb -0.13 -0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 35.85 2fe0 s LYS 112 CO 0.03 -0.25 0.02 -1.64 -0.36 0.00 0.00 175.35 173.14 2fe0 s MET 113 N 1.73 1.12 0.25 4.03 -1.94 -1.26 -1.27 119.30 121.96 2fe0 s MET 113 Ca -0.02 -1.55 -0.17 0.00 -1.71 0.00 0.00 55.69 52.24 2fe0 s MET 113 Cb -0.12 -0.21 0.01 0.00 2.01 0.00 0.00 34.83 36.52 2fe0 s MET 113 CO -0.05 -0.16 0.58 0.34 -0.01 0.00 0.00 175.02 175.72 2fe0 s ASP 114 N -3.17 -0.18 -0.44 3.03 -1.08 -1.19 -5.01 116.67 108.62 2fe0 s ASP 114 Ca 0.25 -0.74 0.03 0.00 -0.52 0.00 0.00 52.55 51.58 2fe0 s ASP 114 Cb 0.06 0.64 0.12 0.00 -1.46 0.00 0.00 42.92 42.29 2fe0 s ASP 114 CO 0.05 -1.21 0.19 0.00 0.52 0.00 0.00 175.17 174.71 2fe0 s ALA 115 N -3.96 2.94 0.26 3.66 0.00 -1.26 -2.20 121.76 121.20 2fe0 s ALA 115 Ca 0.16 -2.88 -0.08 0.00 0.00 0.00 0.00 51.96 49.15 2fe0 s ALA 115 Cb -0.03 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.99 2fe0 s ALA 115 CO 0.07 -1.91 0.56 -0.51 0.00 0.00 0.00 175.76 173.97 2fe0 s LEU 116 N 0.25 4.11 0.14 0.00 1.43 -0.96 -4.84 118.68 118.81 2fe0 s LEU 116 Ca 0.15 0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 2fe0 s LEU 116 Cb -0.23 -3.66 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 2fe0 s LEU 116 CO -0.04 -0.13 1.13 -2.16 0.23 0.00 0.00 176.35 175.38 2fe0 s PRO 117 N -3.11 4.54 -0.09 1.29 0.04 -1.26 0.23 135.00 136.64 2fe0 s PRO 117 Ca 0.47 1.74 -0.35 0.00 0.04 0.00 0.00 61.00 62.90 2fe0 s PRO 117 Cb -0.11 -3.30 -0.12 0.00 0.04 0.00 0.00 34.50 31.01 2fe0 s PRO 117 CO 0.25 -0.03 1.84 1.28 0.04 0.00 0.00 177.00 180.37 2fe0 n LEU 118 N 2.81 3.30 0.00 -3.56 4.77 -1.23 -4.80 117.00 118.28 2fe0 n LEU 118 Ca 0.04 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 2fe0 n LEU 118 Cb 0.46 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2fe0 n LEU 118 CO 0.54 -0.12 0.00 -1.20 -1.33 0.00 0.00 177.39 175.28 2fe0 n SER 119 N 6.21 0.00 0.06 -1.43 7.64 -1.26 -4.91 113.62 119.93 2fe0 n SER 119 Ca 0.22 -0.34 0.02 0.00 1.01 0.00 0.00 58.87 59.78 2fe0 n SER 119 Cb 0.28 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 63.86 2fe0 n SER 119 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2fe0 h GLU 120 N 0.00 0.38 -0.97 1.43 4.11 -2.01 -2.28 114.58 115.24 2fe0 h GLU 120 Ca 0.00 -0.06 0.10 0.00 0.07 0.00 0.00 59.36 59.46 2fe0 h GLU 120 Cb 0.00 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 2fe0 h GLU 120 CO 0.00 0.40 0.62 0.93 0.07 0.00 0.00 179.01 181.03 2fe0 h GLU 121 N 0.37 0.98 -0.69 1.06 5.08 -1.99 -0.71 114.58 118.68 2fe0 h GLU 121 Ca 0.09 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2fe0 h GLU 121 Cb 0.24 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2fe0 h GLU 121 CO 0.00 0.65 0.19 -0.92 -1.00 0.00 0.00 179.01 177.93 2fe0 h TYR 122 N 1.01 1.13 -0.83 4.33 3.20 -1.76 -0.91 116.97 123.12 2fe0 h TYR 122 Ca 0.45 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 62.21 2fe0 h TYR 122 Cb 0.39 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2fe0 h TYR 122 CO -0.00 0.91 0.55 0.00 -1.64 0.00 0.00 178.16 177.98 2fe0 h ARG 123 N 1.01 1.10 -0.30 1.82 3.08 -1.13 -1.99 114.38 117.97 2fe0 h ARG 123 Ca 0.22 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 2fe0 h ARG 123 Cb 0.33 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2fe0 h ARG 123 CO -0.00 0.72 -0.35 1.96 -1.07 0.00 0.00 179.97 181.23 2fe0 h GLN 124 N 1.13 0.67 -0.33 0.04 7.50 -1.08 0.15 115.11 123.19 2fe0 h GLN 124 Ca 0.31 -0.32 0.08 0.00 0.50 0.00 0.00 58.65 59.21 2fe0 h GLN 124 Cb -0.13 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.38 2fe0 h GLN 124 CO -0.07 0.93 0.23 1.25 -1.50 0.00 0.00 178.83 179.67 2fe0 h HIS 125 N 0.56 0.10 0.00 2.96 -0.00 -0.44 -0.15 115.15 118.18 2fe0 h HIS 125 Ca 0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.17 2fe0 h HIS 125 Cb 0.87 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.20 2fe0 h HIS 125 CO 0.04 0.05 -1.94 1.04 -0.00 0.00 0.00 177.93 177.12 2fe0 n GLN 126 N -4.46 0.66 -0.21 5.26 1.13 -0.96 -4.11 117.38 114.68 2fe0 n GLN 126 Ca 0.05 0.10 -0.09 0.00 -1.94 0.00 0.00 57.00 55.12 2fe0 n GLN 126 Cb 0.34 -1.66 0.04 0.00 0.11 0.00 0.00 30.24 29.07 2fe0 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fe0 h ALA 127 N 1.21 0.86 -0.76 -1.58 0.00 0.28 -2.77 119.26 116.50 2fe0 h ALA 127 Ca -0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 2fe0 h ALA 127 Cb 1.89 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 2fe0 h ALA 127 CO 0.04 0.67 0.40 1.05 0.00 0.00 0.00 179.25 181.41 2fe0 h GLU 128 N 0.98 1.07 0.00 0.00 4.11 -1.24 -1.31 114.58 118.19 2fe0 h GLU 128 Ca 0.18 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 2fe0 h GLU 128 Cb 0.55 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2fe0 h GLU 128 CO 0.03 0.80 -0.08 0.87 0.07 0.00 0.00 179.01 180.70 2fe0 h LYS 129 N 1.07 0.00 -5.47 1.06 1.57 -1.65 -3.47 116.57 109.68 2fe0 h LYS 129 Ca 0.27 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2fe0 h LYS 129 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2fe0 h LYS 129 CO -0.04 0.08 -0.32 -3.47 -0.57 0.00 0.00 179.45 175.13 2fe0 n ASP 130 N -3.91 -7.58 0.00 0.86 2.03 -0.49 -5.14 116.55 102.31 2fe0 n ASP 130 Ca -0.02 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2fe0 n ASP 130 Cb 0.17 -4.96 0.00 0.00 -0.72 0.00 0.00 41.12 35.61 2fe0 n ASP 130 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57