#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eh0 s SER 2 N 0.00 6.72 -0.50 1.61 0.15 -1.26 -4.96 113.70 115.46 2eh0 s SER 2 Ca 0.00 2.28 -0.24 0.00 0.70 0.00 0.00 55.95 58.69 2eh0 s SER 2 Cb 0.00 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2eh0 s SER 2 CO 0.00 -0.83 0.88 -0.55 1.20 0.00 0.00 173.24 173.95 2eh0 s SER 3 N 2.40 6.39 -0.00 5.45 0.15 -1.26 -4.94 113.70 121.88 2eh0 s SER 3 Ca 0.70 -0.20 -0.00 0.00 0.70 0.00 0.00 55.95 57.15 2eh0 s SER 3 Cb -0.35 -2.42 -0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2eh0 s SER 3 CO 0.29 -1.09 0.07 1.23 1.20 0.00 0.00 173.24 174.94 2eh0 h GLY 4 N 10.61 -0.00 -6.10 9.45 0.00 -2.02 -3.47 103.07 111.54 2eh0 h GLY 4 Ca -0.25 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.64 2eh0 h GLY 4 CO 1.04 -0.00 -0.73 1.44 0.00 0.00 0.00 176.54 178.28 2eh0 n SER 5 N -2.11 -5.13 -4.24 0.19 7.64 -1.26 -4.95 113.62 103.77 2eh0 n SER 5 Ca -0.00 -0.68 -0.41 0.00 1.01 0.00 0.00 58.87 58.79 2eh0 n SER 5 Cb 0.00 -4.38 -0.09 0.00 -1.01 0.00 0.00 64.21 58.73 2eh0 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eh0 s SER 6 N -3.41 5.71 0.00 6.43 1.04 -1.26 -5.00 113.70 117.21 2eh0 s SER 6 Ca 0.58 -1.77 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2eh0 s SER 6 Cb -0.28 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2eh0 s SER 6 CO 0.79 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2eh0 n GLY 7 N 4.93 3.51 3.02 7.32 0.00 -1.26 -4.38 105.19 118.33 2eh0 n GLY 7 Ca -0.09 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 2eh0 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eh0 s THR 8 N -1.20 0.73 0.31 2.61 2.01 -1.26 -4.60 115.64 114.23 2eh0 s THR 8 Ca 0.00 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 2eh0 s THR 8 Cb 0.00 -0.62 -0.10 0.00 0.01 0.00 0.00 72.50 71.79 2eh0 s THR 8 CO 0.00 0.21 1.23 -2.16 -0.69 0.00 0.00 174.62 173.21 2eh0 s PRO 9 N -0.13 4.46 -0.03 4.92 0.04 -1.26 -4.50 135.00 138.50 2eh0 s PRO 9 Ca 0.02 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 2eh0 s PRO 9 Cb -0.04 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.44 2eh0 s PRO 9 CO -0.00 -0.04 0.62 -3.38 0.04 0.00 0.00 177.00 174.24 2eh0 s HIS 10 N -1.12 -0.58 -0.14 0.56 -3.43 -1.22 -0.10 115.29 109.26 2eh0 s HIS 10 Ca 0.47 0.95 -0.10 0.00 -0.80 0.00 0.00 55.06 55.58 2eh0 s HIS 10 Cb -0.37 0.37 -0.05 0.00 -1.43 0.00 0.00 32.58 31.10 2eh0 s HIS 10 CO 0.48 -0.59 0.20 -0.51 -2.00 0.00 0.00 174.74 172.33 2eh0 s LEU 11 N -1.30 4.32 -0.16 5.38 1.43 0.70 -0.79 118.68 128.26 2eh0 s LEU 11 Ca -0.11 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2eh0 s LEU 11 Cb -0.01 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2eh0 s LEU 11 CO 0.08 0.27 -0.08 -0.69 0.23 0.00 0.00 176.35 176.15 2eh0 s VAL 12 N -0.32 3.35 -0.77 -1.59 1.01 -0.60 -0.67 120.40 120.81 2eh0 s VAL 12 Ca 0.14 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 2eh0 s VAL 12 Cb -0.13 -2.46 -0.20 0.00 0.00 0.00 0.00 36.38 33.60 2eh0 s VAL 12 CO 0.03 0.49 1.88 -0.46 0.00 0.00 0.00 175.10 177.05 2eh0 n ASN 13 N 3.88 2.16 0.00 3.32 2.04 0.16 -1.39 115.26 125.43 2eh0 n ASN 13 Ca -0.18 -2.62 0.04 0.00 -0.44 0.00 0.00 54.58 51.38 2eh0 n ASN 13 Cb 0.52 -1.26 0.21 0.00 -2.53 0.00 0.00 39.78 36.73 2eh0 n ASN 13 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2eh0 n LEU 14 N 11.77 0.00 0.00 -4.53 -0.00 -1.26 -4.85 117.00 118.12 2eh0 n LEU 14 Ca 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.37 2eh0 n LEU 14 Cb 0.44 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.95 2eh0 n LEU 14 CO 0.90 0.00 0.11 0.59 -0.00 0.00 0.00 177.39 178.99 2eh0 n ASN 15 N -0.64 -2.35 -0.81 1.45 3.02 -1.26 -4.92 115.26 109.76 2eh0 n ASN 15 Ca 0.05 -0.28 0.08 0.00 -0.03 0.00 0.00 54.58 54.40 2eh0 n ASN 15 Cb 0.02 -0.42 0.17 0.00 -0.61 0.00 0.00 39.78 38.95 2eh0 n ASN 15 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2eh0 n GLU 16 N -1.91 2.43 -3.55 3.52 0.28 -1.26 -4.77 120.64 115.37 2eh0 n GLU 16 Ca 0.04 -2.05 -0.39 0.00 -0.16 0.00 0.00 57.16 54.60 2eh0 n GLU 16 Cb 0.19 -1.35 -0.05 0.00 1.43 0.00 0.00 31.44 31.67 2eh0 n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2eh0 s ASP 17 N -1.06 6.35 0.00 -1.84 1.01 -1.26 -4.87 116.67 115.00 2eh0 s ASP 17 Ca 0.28 -3.61 0.15 0.00 0.71 0.00 0.00 52.55 50.08 2eh0 s ASP 17 Cb 0.15 -2.00 0.82 0.00 1.01 0.00 0.00 42.92 42.91 2eh0 s ASP 17 CO 0.21 -0.23 1.38 -0.81 0.21 0.00 0.00 175.17 175.93 2eh0 n PRO 18 N 2.54 0.32 0.04 8.23 -0.04 -1.26 -2.06 135.00 142.78 2eh0 n PRO 18 Ca 0.21 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 2eh0 n PRO 18 Cb 0.38 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 2eh0 n PRO 18 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2eh0 n LEU 19 N -1.17 0.40 -3.37 1.53 4.77 -1.26 -4.97 117.00 112.92 2eh0 n LEU 19 Ca 0.09 0.16 -0.47 0.00 -0.03 0.00 0.00 56.01 55.76 2eh0 n LEU 19 Cb 0.09 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 2eh0 n LEU 19 CO 0.10 -0.07 0.68 1.15 -1.33 0.00 0.00 177.39 177.92 2eh0 n MET 20 N -2.47 0.00 -0.09 3.23 0.00 -0.87 -4.75 117.12 112.17 2eh0 n MET 20 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.69 2eh0 n MET 20 Cb 0.58 -1.09 0.05 0.00 0.00 0.00 0.00 33.22 32.76 2eh0 n MET 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2eh0 n SER 21 N 2.22 1.05 -4.73 3.17 2.88 -1.26 -4.84 113.62 112.10 2eh0 n SER 21 Ca 0.19 -2.06 -0.19 0.00 -1.33 0.00 0.00 58.87 55.48 2eh0 n SER 21 Cb -0.01 -0.26 0.08 0.00 -0.75 0.00 0.00 64.21 63.27 2eh0 n SER 21 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2eh0 n GLU 22 N -0.07 0.44 -1.85 -1.46 0.28 -1.26 -5.05 120.64 111.67 2eh0 n GLU 22 Ca 0.04 -2.90 -0.41 0.00 -0.16 0.00 0.00 57.16 53.73 2eh0 n GLU 22 Cb 0.21 -0.33 -0.01 0.00 1.43 0.00 0.00 31.44 32.74 2eh0 n GLU 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2eh0 h LEU 24 N 3.57 0.81 -8.02 0.00 3.38 -1.95 -3.46 115.31 109.64 2eh0 h LEU 24 Ca -0.49 -0.79 -0.10 0.00 0.09 0.00 0.00 57.88 56.58 2eh0 h LEU 24 Cb 1.23 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 2eh0 h LEU 24 CO 0.68 1.51 -0.37 -1.48 0.09 0.00 0.00 178.44 178.87 2eh0 s LEU 25 N -8.05 1.20 -0.04 1.67 0.05 -1.26 0.36 118.68 112.62 2eh0 s LEU 25 Ca -0.10 -0.83 0.02 0.00 0.05 0.00 0.00 54.13 53.26 2eh0 s LEU 25 Cb 0.05 1.05 0.02 0.00 -2.05 0.00 0.00 46.19 45.26 2eh0 s LEU 25 CO 0.90 -0.82 -0.06 -0.31 -0.55 0.00 0.00 176.35 175.51 2eh0 s TYR 26 N -3.94 0.86 -0.61 3.48 1.51 0.16 -4.95 117.35 113.86 2eh0 s TYR 26 Ca 0.13 -0.25 -0.21 0.00 -1.01 0.00 0.00 57.07 55.74 2eh0 s TYR 26 Cb 0.04 -0.70 0.08 0.00 -0.11 0.00 0.00 41.96 41.27 2eh0 s TYR 26 CO -0.04 -0.17 0.84 0.71 -1.11 0.00 0.00 175.55 175.78 2eh0 s TYR 27 N 0.67 2.83 -0.08 2.71 2.02 -1.26 -0.22 117.35 124.02 2eh0 s TYR 27 Ca -0.10 -0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 55.66 2eh0 s TYR 27 Cb -0.13 -4.11 -0.04 0.00 -0.40 0.00 0.00 41.96 37.29 2eh0 s TYR 27 CO 0.01 -1.45 1.43 0.42 -1.57 0.00 0.00 175.55 174.39 2eh0 s ILE 28 N 3.45 3.89 0.85 2.71 1.01 0.85 -4.96 121.20 129.01 2eh0 s ILE 28 Ca 0.19 1.14 -0.09 0.00 0.00 0.00 0.00 60.65 61.88 2eh0 s ILE 28 Cb -0.19 -3.74 0.17 0.00 0.01 0.00 0.00 42.46 38.71 2eh0 s ILE 28 CO 0.10 -0.07 1.18 -1.59 0.00 0.00 0.00 174.94 174.55 2eh0 s LYS 29 N 3.37 1.11 -0.15 2.79 0.00 -1.26 -4.13 119.74 121.47 2eh0 s LYS 29 Ca 0.64 -0.71 -0.27 0.00 0.00 0.00 0.00 55.97 55.63 2eh0 s LYS 29 Cb -0.28 -2.06 -0.01 0.00 0.00 0.00 0.00 37.83 35.48 2eh0 s LYS 29 CO 0.23 -1.98 0.90 -0.51 0.00 0.00 0.00 175.35 173.99 2eh0 s ASP 30 N -4.82 7.05 0.00 0.03 1.01 -1.26 -4.55 116.67 114.13 2eh0 s ASP 30 Ca 0.70 1.30 0.00 0.00 0.71 0.00 0.00 52.55 55.26 2eh0 s ASP 30 Cb -0.05 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2eh0 s ASP 30 CO 0.49 -0.43 0.00 0.61 0.21 0.00 0.00 175.17 176.05 2eh0 n GLY 31 N 3.33 0.43 3.36 0.21 0.00 0.16 -4.98 105.19 107.71 2eh0 n GLY 31 Ca 0.06 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 2eh0 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eh0 s ILE 32 N 0.00 3.19 -0.37 -0.61 1.09 -1.26 -1.56 121.20 121.68 2eh0 s ILE 32 Ca 0.00 -0.60 0.01 0.00 -1.10 0.00 0.00 60.65 58.96 2eh0 s ILE 32 Cb 0.00 -2.37 0.12 0.00 -1.06 0.00 0.00 42.46 39.15 2eh0 s ILE 32 CO 0.00 0.50 0.16 -0.89 -0.10 0.00 0.00 174.94 174.61 2eh0 s THR 33 N 0.63 1.09 0.40 2.92 2.01 0.22 -4.98 115.64 117.92 2eh0 s THR 33 Ca -0.06 -1.93 -0.23 0.00 0.31 0.00 0.00 61.69 59.78 2eh0 s THR 33 Cb -0.15 -1.79 -0.09 0.00 0.01 0.00 0.00 72.50 70.47 2eh0 s THR 33 CO 0.03 -0.79 1.02 -0.13 -0.69 0.00 0.00 174.62 174.06 2eh0 s ARG 34 N 1.04 4.18 -0.15 4.92 0.52 -1.26 0.12 118.95 128.32 2eh0 s ARG 34 Ca 0.14 1.41 0.01 0.00 -0.52 0.00 0.00 55.73 56.77 2eh0 s ARG 34 Cb -0.21 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.80 2eh0 s ARG 34 CO -0.12 -0.10 -0.17 0.08 0.02 0.00 0.00 175.30 175.00 2eh0 s VAL 35 N -1.77 2.46 -5.00 3.52 1.01 0.97 -0.51 120.40 121.08 2eh0 s VAL 35 Ca 0.59 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2eh0 s VAL 35 Cb -0.19 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2eh0 s VAL 35 CO 0.24 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.47 2eh0 n GLY 36 N 4.13 -1.86 3.16 4.51 0.00 -0.01 -2.30 105.19 112.81 2eh0 n GLY 36 Ca -0.19 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 2eh0 n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eh0 n GLN 37 N -1.08 -0.43 -0.00 1.61 1.13 -1.05 -3.77 117.38 113.78 2eh0 n GLN 37 Ca 0.00 -0.11 -0.18 0.00 -1.94 0.00 0.00 57.00 54.76 2eh0 n GLN 37 Cb 0.00 -1.36 -0.14 0.00 0.11 0.00 0.00 30.24 28.86 2eh0 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2eh0 h ALA 38 N -1.37 -0.01 0.00 -1.58 0.00 -1.88 -3.29 119.26 111.12 2eh0 h ALA 38 Ca -0.45 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2eh0 h ALA 38 Cb 1.34 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2eh0 h ALA 38 CO 0.29 0.33 0.00 -0.44 0.00 0.00 0.00 179.25 179.42 2eh0 h ASP 39 N -0.60 0.00 -0.73 0.00 3.32 -1.92 -3.41 116.42 113.09 2eh0 h ASP 39 Ca -0.13 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.40 2eh0 h ASP 39 Cb 1.44 0.00 0.06 0.00 0.22 0.00 0.00 39.33 41.05 2eh0 h ASP 39 CO 0.07 0.00 -0.22 0.00 -1.72 0.00 0.00 179.24 177.37 2eh0 n ALA 40 N -1.89 -2.54 -0.24 3.45 0.00 -1.24 -4.65 120.51 113.40 2eh0 n ALA 40 Ca 0.00 0.37 0.24 0.00 0.00 0.00 0.00 53.44 54.05 2eh0 n ALA 40 Cb 0.18 -1.22 0.44 0.00 0.00 0.00 0.00 19.45 18.86 2eh0 n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2eh0 n GLU 41 N 0.87 -0.04 -4.71 0.00 1.02 -1.26 -4.01 120.64 112.51 2eh0 n GLU 41 Ca 0.14 1.02 -0.33 0.00 -0.02 0.00 0.00 57.16 57.97 2eh0 n GLU 41 Cb 0.14 -1.84 -0.12 0.00 -0.02 0.00 0.00 31.44 29.59 2eh0 n GLU 41 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2eh0 s ARG 42 N -5.12 2.91 0.04 3.49 1.81 -1.26 -5.07 118.95 115.75 2eh0 s ARG 42 Ca -0.07 -0.61 -0.34 0.00 -1.72 0.00 0.00 55.73 52.99 2eh0 s ARG 42 Cb 0.25 -2.57 -0.13 0.00 -0.45 0.00 0.00 34.95 32.04 2eh0 s ARG 42 CO 0.58 0.52 1.69 -2.13 -0.68 0.00 0.00 175.30 175.28 2eh0 n ARG 43 N 2.65 2.07 -4.42 3.54 3.00 -1.26 -4.94 116.66 117.31 2eh0 n ARG 43 Ca -0.18 0.75 -0.34 0.00 -0.00 0.00 0.00 57.85 58.09 2eh0 n ARG 43 Cb 0.53 -2.54 -0.15 0.00 0.00 0.00 0.00 32.46 30.30 2eh0 n ARG 43 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2eh0 s GLN 44 N 2.23 3.30 0.07 -0.14 -1.52 -1.26 -4.49 119.66 117.86 2eh0 s GLN 44 Ca 0.85 -0.70 -0.25 0.00 -1.95 0.00 0.00 55.36 53.31 2eh0 s GLN 44 Cb -0.71 -2.72 -0.16 0.00 -0.22 0.00 0.00 33.01 29.19 2eh0 s GLN 44 CO 0.45 0.01 1.64 0.22 -0.25 0.00 0.00 175.29 177.36 2eh0 h ASP 45 N 7.35 -0.17 -3.57 5.90 3.58 -1.11 -3.40 116.42 125.01 2eh0 h ASP 45 Ca -0.34 -0.05 -0.69 0.00 0.42 0.00 0.00 57.03 56.37 2eh0 h ASP 45 Cb 1.19 0.04 -0.18 0.00 1.72 0.00 0.00 39.33 42.09 2eh0 h ASP 45 CO 0.58 -0.05 -0.25 -0.63 -2.88 0.00 0.00 179.24 176.01 2eh0 s ILE 46 N -5.88 5.12 -0.22 2.25 1.01 -1.17 -5.02 121.20 117.30 2eh0 s ILE 46 Ca -0.14 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 2eh0 s ILE 46 Cb 0.05 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2eh0 s ILE 46 CO 0.65 -0.32 0.36 -0.69 0.00 0.00 0.00 174.94 174.93 2eh0 s VAL 47 N 2.07 5.22 0.37 2.92 1.01 -1.25 -0.83 120.40 129.90 2eh0 s VAL 47 Ca 0.11 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2eh0 s VAL 47 Cb -0.17 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2eh0 s VAL 47 CO 0.13 0.25 0.20 0.18 0.00 0.00 0.00 175.10 175.85 2eh0 n LEU 48 N 4.62 0.00 -4.20 3.92 7.99 -1.26 -4.97 117.00 123.11 2eh0 n LEU 48 Ca -0.09 -2.03 -0.34 0.00 -0.01 0.00 0.00 56.01 53.53 2eh0 n LEU 48 Cb 0.51 0.05 0.12 0.00 -0.11 0.00 0.00 43.42 43.99 2eh0 n LEU 48 CO 0.39 -0.43 -0.99 -0.24 -1.51 0.00 0.00 177.39 174.60 2eh0 n SER 49 N -1.69 -2.77 0.00 -1.43 2.88 -1.26 -4.58 113.62 104.77 2eh0 n SER 49 Ca -0.05 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2eh0 n SER 49 Cb 0.43 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2eh0 n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eh0 n GLY 50 N 2.47 1.62 0.02 0.46 0.00 -1.26 -4.12 105.19 104.38 2eh0 n GLY 50 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2eh0 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eh0 n ALA 51 N -0.37 2.74 0.03 4.61 0.00 -1.26 -4.78 120.51 121.48 2eh0 n ALA 51 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2eh0 n ALA 51 Cb 0.26 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2eh0 n ALA 51 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2eh0 n HIS 52 N -2.29 -0.37 -1.34 0.00 8.25 -1.26 -5.09 115.22 113.12 2eh0 n HIS 52 Ca -0.05 0.07 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 2eh0 n HIS 52 Cb 0.60 0.25 0.09 0.00 1.12 0.00 0.00 29.99 32.05 2eh0 n HIS 52 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2eh0 n ILE 53 N -2.98 2.81 -3.99 1.59 2.08 -1.26 -4.88 119.36 112.72 2eh0 n ILE 53 Ca 0.00 -0.36 -0.26 0.00 0.56 0.00 0.00 62.75 62.70 2eh0 n ILE 53 Cb 0.19 -1.13 -0.04 0.00 -0.75 0.00 0.00 39.64 37.91 2eh0 n ILE 53 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2eh0 s LYS 54 N -3.44 3.26 0.30 0.38 -0.14 -1.26 -4.71 119.74 114.13 2eh0 s LYS 54 Ca 0.74 -0.70 0.04 0.00 -1.36 0.00 0.00 55.97 54.68 2eh0 s LYS 54 Cb -0.34 -2.85 0.77 0.00 -1.68 0.00 0.00 37.83 33.73 2eh0 s LYS 54 CO 0.50 0.50 1.66 0.93 -0.76 0.00 0.00 175.35 178.18 2eh0 h GLU 55 N 2.15 0.25 -1.26 1.68 3.07 -1.92 -1.99 114.58 116.56 2eh0 h GLU 55 Ca -0.48 -0.01 -0.50 0.00 -0.50 0.00 0.00 59.36 57.86 2eh0 h GLU 55 Cb 1.20 -0.06 -0.41 0.00 -0.84 0.00 0.00 28.75 28.64 2eh0 h GLU 55 CO 0.66 0.16 -0.90 -0.85 -1.40 0.00 0.00 179.01 176.69 2eh0 n GLU 56 N -5.17 2.68 -0.12 2.33 0.28 -1.26 -2.53 120.64 116.85 2eh0 n GLU 56 Ca 0.23 -4.06 -0.03 0.00 -0.16 0.00 0.00 57.16 53.14 2eh0 n GLU 56 Cb 0.73 -1.92 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 2eh0 n GLU 56 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2eh0 n HIS 57 N -0.37 -0.12 -4.19 -1.84 -0.00 -0.75 -4.58 115.22 103.37 2eh0 n HIS 57 Ca 0.29 0.35 -0.17 0.00 0.46 0.00 0.00 57.72 58.65 2eh0 n HIS 57 Cb 0.74 -0.44 -0.06 0.00 -0.12 0.00 0.00 29.99 30.10 2eh0 n HIS 57 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2eh0 s ILE 59 N -3.20 0.84 -0.21 0.00 1.01 -1.15 -0.02 121.20 118.48 2eh0 s ILE 59 Ca 0.36 -1.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.05 2eh0 s ILE 59 Cb 0.01 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 40.86 2eh0 s ILE 59 CO 0.24 -0.80 0.04 -0.36 0.00 0.00 0.00 174.94 174.06 2eh0 s PHE 60 N -3.40 1.11 -0.39 3.97 0.08 0.33 -2.37 117.98 117.30 2eh0 s PHE 60 Ca 0.12 -0.95 -0.09 0.00 0.12 0.00 0.00 56.93 56.13 2eh0 s PHE 60 Cb 0.04 -1.09 0.06 0.00 -0.57 0.00 0.00 43.02 41.45 2eh0 s PHE 60 CO -0.03 -0.64 0.21 0.50 -0.10 0.00 0.00 175.22 175.16 2eh0 s ARG 61 N 1.83 2.65 -0.39 0.44 3.52 -0.97 0.70 118.95 126.74 2eh0 s ARG 61 Ca -0.00 -1.30 -0.13 0.00 -0.13 0.00 0.00 55.73 54.16 2eh0 s ARG 61 Cb -0.17 -3.69 0.02 0.00 -1.56 0.00 0.00 34.95 29.55 2eh0 s ARG 61 CO -0.10 -0.82 0.26 -1.12 -0.81 0.00 0.00 175.30 172.71 2eh0 s SER 62 N 1.80 5.95 0.01 -2.12 0.01 -0.60 -2.09 113.70 116.66 2eh0 s SER 62 Ca 0.02 -0.88 0.02 0.00 1.31 0.00 0.00 55.95 56.41 2eh0 s SER 62 Cb -0.21 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 2eh0 s SER 62 CO 0.03 -0.40 -0.06 -0.70 0.41 0.00 0.00 173.24 172.52 2eh0 s GLU 63 N 1.64 0.49 -0.11 12.44 2.12 -0.07 -0.66 118.70 134.53 2eh0 s GLU 63 Ca 0.04 -0.37 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 2eh0 s GLU 63 Cb -0.19 -0.41 -0.01 0.00 0.26 0.00 0.00 34.13 33.78 2eh0 s GLU 63 CO 0.09 0.10 0.99 0.50 -0.54 0.00 0.00 175.26 176.40 2eh0 s ARG 64 N -0.57 4.41 1.35 4.30 3.52 -1.26 -0.91 118.95 129.78 2eh0 s ARG 64 Ca -0.01 1.36 -0.23 0.00 -0.13 0.00 0.00 55.73 56.72 2eh0 s ARG 64 Cb -0.05 -3.55 0.35 0.00 -1.56 0.00 0.00 34.95 30.14 2eh0 s ARG 64 CO 0.00 -0.32 0.89 0.45 -0.81 0.00 0.00 175.30 175.50 2eh0 n SER 65 N 5.06 -3.57 0.21 -2.12 2.88 0.70 -4.78 113.62 112.00 2eh0 n SER 65 Ca 0.08 -0.92 0.05 0.00 -1.33 0.00 0.00 58.87 56.76 2eh0 n SER 65 Cb 0.49 -0.95 0.47 0.00 -0.75 0.00 0.00 64.21 63.46 2eh0 n SER 65 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2eh0 h ASN 66 N -3.34 0.00 0.21 -3.46 -0.26 -1.96 -1.44 115.58 105.33 2eh0 h ASN 66 Ca -0.38 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 2eh0 h ASN 66 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2eh0 h ASN 66 CO 0.23 0.26 0.00 -0.24 -1.06 0.00 0.00 177.43 176.62 2eh0 n SER 67 N -4.09 0.00 0.00 5.81 2.88 -1.26 -4.86 113.62 112.09 2eh0 n SER 67 Ca -0.02 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 2eh0 n SER 67 Cb 0.32 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2eh0 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eh0 n GLY 68 N 0.81 0.52 3.38 0.46 0.00 -0.54 -5.05 105.19 104.77 2eh0 n GLY 68 Ca 0.17 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2eh0 n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2eh0 s GLU 69 N -3.26 3.48 0.13 1.61 -1.05 -1.26 -4.84 118.70 113.51 2eh0 s GLU 69 Ca 0.00 -0.60 -0.31 0.00 -0.15 0.00 0.00 54.97 53.91 2eh0 s GLU 69 Cb 0.00 -2.93 -0.10 0.00 -0.44 0.00 0.00 34.13 30.66 2eh0 s GLU 69 CO 0.00 -0.00 1.66 0.08 0.95 0.00 0.00 175.26 177.95 2eh0 s VAL 70 N 0.97 2.70 0.05 1.83 1.01 -1.26 -0.21 120.40 125.49 2eh0 s VAL 70 Ca -0.00 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.40 2eh0 s VAL 70 Cb -0.15 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2eh0 s VAL 70 CO 0.01 0.01 -0.18 -0.63 0.00 0.00 0.00 175.10 174.31 2eh0 s ILE 71 N 1.96 1.46 0.09 2.22 -1.09 -0.09 -4.89 121.20 120.86 2eh0 s ILE 71 Ca 0.74 -1.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.09 2eh0 s ILE 71 Cb -0.43 -1.29 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 2eh0 s ILE 71 CO 0.32 0.11 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.27 2eh0 s VAL 72 N -0.84 2.81 0.06 2.92 1.01 -1.26 -0.89 120.40 124.21 2eh0 s VAL 72 Ca 0.05 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.62 2eh0 s VAL 72 Cb -0.09 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2eh0 s VAL 72 CO 0.02 0.17 -0.05 -0.89 0.00 0.00 0.00 175.10 174.35 2eh0 s THR 73 N -1.08 0.41 -0.19 3.92 2.01 -0.89 -1.04 115.64 118.80 2eh0 s THR 73 Ca 0.17 -1.67 0.01 0.00 0.31 0.00 0.00 61.69 60.51 2eh0 s THR 73 Cb -0.11 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.10 2eh0 s THR 73 CO 0.09 -0.83 -0.14 -0.22 -0.69 0.00 0.00 174.62 172.83 2eh0 s LEU 74 N -2.65 2.21 -0.85 4.42 2.96 -0.74 -2.28 118.68 121.75 2eh0 s LEU 74 Ca 0.04 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 2eh0 s LEU 74 Cb 0.03 -1.31 0.21 0.00 0.50 0.00 0.00 46.19 45.62 2eh0 s LEU 74 CO -0.06 -0.09 0.73 -0.70 -1.32 0.00 0.00 176.35 174.91 2eh0 s GLU 75 N 1.36 3.19 0.93 1.98 -6.30 -1.00 -3.23 118.70 115.65 2eh0 s GLU 75 Ca 0.01 -3.13 -0.12 0.00 -2.50 0.00 0.00 54.97 49.24 2eh0 s GLU 75 Cb -0.15 -3.95 0.15 0.00 0.00 0.00 0.00 34.13 30.18 2eh0 s GLU 75 CO -0.10 -1.25 1.09 -1.25 0.02 0.00 0.00 175.26 173.78 2eh0 s PRO 76 N -1.08 0.95 0.32 4.30 0.04 -1.26 -2.94 135.00 135.33 2eh0 s PRO 76 Ca 0.25 0.71 0.04 0.00 0.04 0.00 0.00 61.00 62.05 2eh0 s PRO 76 Cb -0.10 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.70 2eh0 s PRO 76 CO -0.11 -2.42 0.33 0.00 0.04 0.00 0.00 177.00 174.84 2eh0 n GLU 78 N -1.44 0.20 -0.41 0.00 1.02 -1.26 -3.98 120.64 114.78 2eh0 n GLU 78 Ca 0.03 -0.13 0.07 0.00 -0.02 0.00 0.00 57.16 57.11 2eh0 n GLU 78 Cb 0.36 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.46 2eh0 n GLU 78 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2eh0 n ARG 79 N -1.28 1.54 -4.62 3.49 1.74 -1.26 -5.02 116.66 111.25 2eh0 n ARG 79 Ca 0.06 -3.01 -0.28 0.00 -0.77 0.00 0.00 57.85 53.86 2eh0 n ARG 79 Cb 0.34 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 30.05 2eh0 n ARG 79 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2eh0 s SER 80 N -3.01 2.94 -0.95 0.55 1.04 -1.26 -4.89 113.70 108.12 2eh0 s SER 80 Ca 0.36 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 56.11 2eh0 s SER 80 Cb 0.34 -0.23 0.24 0.00 0.10 0.00 0.00 66.02 66.47 2eh0 s SER 80 CO -0.02 0.18 0.88 -0.70 0.98 0.00 0.00 173.24 174.56 2eh0 s GLU 81 N -1.53 3.61 0.00 4.02 2.56 -1.26 -4.83 118.70 121.26 2eh0 s GLU 81 Ca 0.10 -3.12 0.05 0.00 0.00 0.00 0.00 54.97 52.00 2eh0 s GLU 81 Cb -0.10 -4.21 -0.03 0.00 2.00 0.00 0.00 34.13 31.79 2eh0 s GLU 81 CO 0.03 -1.25 -0.13 0.99 -0.56 0.00 0.00 175.26 174.34 2eh0 s THR 82 N -1.07 3.18 -0.18 -1.70 2.01 -1.26 -2.31 115.64 114.30 2eh0 s THR 82 Ca 0.27 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 2eh0 s THR 82 Cb -0.10 -2.33 0.06 0.00 0.01 0.00 0.00 72.50 70.14 2eh0 s THR 82 CO -0.10 0.43 0.03 -0.31 -0.69 0.00 0.00 174.62 173.98 2eh0 s TYR 83 N -0.89 1.03 -0.08 4.92 2.02 -0.41 -2.83 117.35 121.11 2eh0 s TYR 83 Ca 0.15 -0.80 -0.02 0.00 -0.37 0.00 0.00 57.07 56.02 2eh0 s TYR 83 Cb -0.11 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.40 2eh0 s TYR 83 CO 0.05 -0.58 0.01 0.08 -1.57 0.00 0.00 175.55 173.53 2eh0 s VAL 84 N 1.86 4.35 -1.40 0.71 1.01 0.56 -0.51 120.40 126.98 2eh0 s VAL 84 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 2eh0 s VAL 84 Cb -0.17 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.41 2eh0 s VAL 84 CO -0.08 0.59 0.92 0.59 0.00 0.00 0.00 175.10 177.13 2eh0 n ASN 85 N 2.09 -3.58 0.00 3.32 5.03 0.50 -0.35 115.26 122.27 2eh0 n ASN 85 Ca -0.18 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.53 2eh0 n ASN 85 Cb 0.54 -4.25 0.00 0.00 -1.02 0.00 0.00 39.78 35.05 2eh0 n ASN 85 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2eh0 n GLY 86 N -1.66 0.11 3.47 7.41 0.00 -1.26 -4.94 105.19 108.33 2eh0 n GLY 86 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2eh0 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eh0 s LYS 87 N -1.51 1.72 -0.10 1.61 -0.14 0.52 -5.11 119.74 116.73 2eh0 s LYS 87 Ca 0.00 -1.98 -0.21 0.00 -1.36 0.00 0.00 55.97 52.43 2eh0 s LYS 87 Cb 0.00 -0.83 -0.04 0.00 -1.68 0.00 0.00 37.83 35.28 2eh0 s LYS 87 CO 0.00 -0.25 0.59 0.50 -0.76 0.00 0.00 175.35 175.43 2eh0 s ARG 88 N -3.86 4.38 -0.20 1.68 3.52 -1.26 0.21 118.95 123.41 2eh0 s ARG 88 Ca 0.33 0.66 -0.09 0.00 -0.13 0.00 0.00 55.73 56.50 2eh0 s ARG 88 Cb 0.07 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 2eh0 s ARG 88 CO 0.15 0.09 0.10 0.54 -0.81 0.00 0.00 175.30 175.37 2eh0 s VAL 89 N 0.79 5.12 -0.01 7.11 0.11 -1.13 -4.80 120.40 127.60 2eh0 s VAL 89 Ca 0.32 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.47 2eh0 s VAL 89 Cb -0.16 -3.33 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 2eh0 s VAL 89 CO 0.14 0.43 0.92 -0.24 -3.33 0.00 0.00 175.10 173.03 2eh0 n SER 90 N 3.66 0.23 -3.76 3.54 2.88 -1.26 -4.75 113.62 114.17 2eh0 n SER 90 Ca -0.16 -1.91 -0.11 0.00 -1.33 0.00 0.00 58.87 55.36 2eh0 n SER 90 Cb 0.52 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.73 2eh0 n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eh0 s GLN 91 N -0.26 0.84 -0.81 -1.46 -2.07 -1.26 -4.91 119.66 109.73 2eh0 s GLN 91 Ca 0.03 -0.60 -0.25 0.00 -1.82 0.00 0.00 55.36 52.71 2eh0 s GLN 91 Cb 0.02 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.26 2eh0 s GLN 91 CO 0.00 -0.28 1.93 -1.25 -1.32 0.00 0.00 175.29 174.37 2eh0 s PRO 92 N -2.90 2.57 0.06 9.60 0.04 -1.25 -4.65 135.00 138.47 2eh0 s PRO 92 Ca -0.02 -0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.07 2eh0 s PRO 92 Cb 0.00 -4.86 -0.04 0.00 0.04 0.00 0.00 34.50 29.65 2eh0 s PRO 92 CO -0.06 -3.19 -0.15 0.14 0.04 0.00 0.00 177.00 173.78 2eh0 s VAL 93 N 9.82 3.03 -0.48 -0.36 -7.23 -1.20 -4.90 120.40 119.08 2eh0 s VAL 93 Ca 0.69 -1.21 -0.28 0.00 -1.81 0.00 0.00 61.98 59.37 2eh0 s VAL 93 Cb -0.08 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.53 2eh0 s VAL 93 CO 0.06 0.25 1.43 -1.10 -0.31 0.00 0.00 175.10 175.43 2eh0 s GLN 94 N -1.73 3.43 0.62 4.82 -0.21 -1.26 -1.78 119.66 123.55 2eh0 s GLN 94 Ca 0.17 0.74 -0.18 0.00 0.02 0.00 0.00 55.36 56.11 2eh0 s GLN 94 Cb -0.11 -4.08 -0.05 0.00 1.00 0.00 0.00 33.01 29.78 2eh0 s GLN 94 CO 0.08 -1.75 0.86 1.28 -2.12 0.00 0.00 175.29 173.64 2eh0 n LEU 95 N 9.25 3.05 -4.75 2.90 7.99 -0.20 -4.95 117.00 130.30 2eh0 n LEU 95 Ca 0.15 0.76 -0.36 0.00 -0.01 0.00 0.00 56.01 56.55 2eh0 n LEU 95 Cb 0.49 -1.34 -0.08 0.00 -0.11 0.00 0.00 43.42 42.37 2eh0 n LEU 95 CO 0.71 -2.18 -0.24 -0.60 -1.51 0.00 0.00 177.39 173.57 2eh0 s ARG 96 N -2.74 3.41 -0.82 3.23 6.06 -1.26 -4.66 118.95 122.17 2eh0 s ARG 96 Ca 0.74 -0.29 -0.20 0.00 -2.50 0.00 0.00 55.73 53.48 2eh0 s ARG 96 Cb -0.40 -3.05 -0.18 0.00 0.06 0.00 0.00 34.95 31.37 2eh0 s ARG 96 CO 0.49 0.62 2.05 0.45 -2.50 0.00 0.00 175.30 176.41 2eh0 n SER 97 N 2.43 0.64 0.00 -2.12 2.88 -1.26 0.05 113.62 116.24 2eh0 n SER 97 Ca -0.19 -1.77 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 2eh0 n SER 97 Cb 0.54 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2eh0 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eh0 n GLY 98 N 6.04 1.09 3.74 0.46 0.00 -0.79 -4.91 105.19 110.82 2eh0 n GLY 98 Ca 0.40 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 2eh0 n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eh0 s ASN 99 N -1.28 7.19 -0.22 1.61 2.20 0.11 -4.91 114.94 119.64 2eh0 s ASN 99 Ca 0.00 1.42 -0.27 0.00 -0.94 0.00 0.00 52.86 53.08 2eh0 s ASN 99 Cb 0.00 -2.46 -0.00 0.00 -2.00 0.00 0.00 41.25 36.79 2eh0 s ASN 99 CO 0.00 -0.00 0.92 -0.60 -2.94 0.00 0.00 177.10 174.48 2eh0 s ARG 100 N 0.06 4.25 -0.10 3.55 3.52 -1.26 -3.53 118.95 125.43 2eh0 s ARG 100 Ca 0.39 1.14 0.04 0.00 -0.13 0.00 0.00 55.73 57.16 2eh0 s ARG 100 Cb -0.20 -3.62 -0.00 0.00 -1.56 0.00 0.00 34.95 29.56 2eh0 s ARG 100 CO 0.22 -0.51 -0.23 0.42 -0.81 0.00 0.00 175.30 174.39 2eh0 s ILE 101 N 2.80 2.12 0.00 4.11 1.01 -0.97 -0.37 121.20 129.91 2eh0 s ILE 101 Ca 0.40 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 60.11 2eh0 s ILE 101 Cb -0.16 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2eh0 s ILE 101 CO 0.08 0.56 -0.16 -0.63 0.00 0.00 0.00 174.94 174.79 2eh0 s ILE 102 N 0.37 2.90 -0.01 2.92 1.09 0.34 -0.34 121.20 128.47 2eh0 s ILE 102 Ca -0.18 -0.99 0.02 0.00 -1.10 0.00 0.00 60.65 58.40 2eh0 s ILE 102 Cb -0.18 -2.18 -0.00 0.00 -1.06 0.00 0.00 42.46 39.04 2eh0 s ILE 102 CO 0.08 0.44 -0.07 -0.04 -0.10 0.00 0.00 174.94 175.25 2eh0 s MET 103 N -1.15 0.70 5.54 2.79 -1.94 0.41 -1.28 119.30 124.36 2eh0 s MET 103 Ca 0.14 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 2eh0 s MET 103 Cb -0.11 -0.67 0.00 0.00 2.01 0.00 0.00 34.83 36.06 2eh0 s MET 103 CO 0.03 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.58 2eh0 n GLY 104 N 3.09 1.32 0.37 -0.03 0.00 -0.98 -2.46 105.19 106.50 2eh0 n GLY 104 Ca -0.15 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2eh0 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eh0 n LYS 105 N 0.00 0.00 -2.43 1.61 4.76 -1.26 -4.90 118.16 115.94 2eh0 n LYS 105 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2eh0 n LYS 105 Cb 0.00 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 2eh0 n LYS 105 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2eh0 n ASN 106 N -1.79 5.17 -3.75 4.39 3.02 -1.26 -4.89 115.26 116.15 2eh0 n ASN 106 Ca 0.00 -3.74 -0.30 0.00 -0.03 0.00 0.00 54.58 50.51 2eh0 n ASN 106 Cb 0.00 -0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 38.51 2eh0 n ASN 106 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2eh0 n HIS 107 N -0.47 3.52 -2.52 3.10 8.25 -1.03 -4.89 115.22 121.19 2eh0 n HIS 107 Ca 0.41 -4.08 -0.27 0.00 -0.26 0.00 0.00 57.72 53.51 2eh0 n HIS 107 Cb 0.57 -0.74 0.01 0.00 1.12 0.00 0.00 29.99 30.95 2eh0 n HIS 107 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2eh0 s VAL 108 N -1.99 4.45 -0.27 1.59 1.01 -1.26 -0.45 120.40 123.48 2eh0 s VAL 108 Ca 0.32 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 2eh0 s VAL 108 Cb 0.04 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.78 2eh0 s VAL 108 CO -0.07 -0.73 0.70 -0.36 0.00 0.00 0.00 175.10 174.64 2eh0 s PHE 109 N -2.85 -0.91 -0.28 5.22 0.08 0.54 -4.33 117.98 115.45 2eh0 s PHE 109 Ca 0.50 2.02 -0.11 0.00 0.12 0.00 0.00 56.93 59.46 2eh0 s PHE 109 Cb -0.10 0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 42.73 2eh0 s PHE 109 CO 0.45 -0.45 0.18 0.50 -0.10 0.00 0.00 175.22 175.81 2eh0 s ARG 110 N 0.95 3.94 -0.70 0.44 3.52 -0.48 -2.28 118.95 124.33 2eh0 s ARG 110 Ca -0.05 -0.33 -0.27 0.00 -0.13 0.00 0.00 55.73 54.96 2eh0 s ARG 110 Cb -0.05 -3.64 0.03 0.00 -1.56 0.00 0.00 34.95 29.73 2eh0 s ARG 110 CO -0.08 -0.17 1.31 0.12 -0.81 0.00 0.00 175.30 175.66 2eh0 s PHE 111 N 1.72 2.29 0.54 5.12 5.36 -1.23 -1.56 117.98 130.21 2eh0 s PHE 111 Ca 0.07 0.10 -0.11 0.00 -0.96 0.00 0.00 56.93 56.03 2eh0 s PHE 111 Cb -0.16 -4.57 -0.05 0.00 -0.34 0.00 0.00 43.02 37.90 2eh0 s PHE 111 CO 0.10 -2.01 0.93 -0.80 -1.46 0.00 0.00 175.22 171.98 2eh0 s ASN 112 N 3.92 6.37 -0.50 6.13 -0.87 0.03 -1.88 114.94 128.13 2eh0 s ASN 112 Ca 0.39 1.31 0.06 0.00 -1.57 0.00 0.00 52.86 53.04 2eh0 s ASN 112 Cb -0.08 -2.41 0.20 0.00 -0.02 0.00 0.00 41.25 38.94 2eh0 s ASN 112 CO 0.17 -0.68 0.78 1.57 -2.57 0.00 0.00 177.10 176.38 2eh0 n HIS 113 N -2.18 -3.56 0.97 2.20 -0.00 -1.26 -3.45 115.22 107.95 2eh0 n HIS 113 Ca 0.04 -1.38 0.08 0.00 0.46 0.00 0.00 57.72 56.92 2eh0 n HIS 113 Cb 0.54 1.48 0.45 0.00 -0.12 0.00 0.00 29.99 32.33 2eh0 n HIS 113 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2eh0 n PRO 114 N 2.70 0.49 0.07 1.57 -0.04 -1.26 -2.60 135.00 135.92 2eh0 n PRO 114 Ca 0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.58 2eh0 n PRO 114 Cb 0.58 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2eh0 n PRO 114 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2eh0 h GLU 115 N 0.00 -0.26 0.11 0.54 3.07 -1.81 -3.25 114.58 112.98 2eh0 h GLU 115 Ca 0.00 0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.67 2eh0 h GLU 115 Cb 0.00 0.06 0.02 0.00 -0.84 0.00 0.00 28.75 27.99 2eh0 h GLU 115 CO 0.00 -0.17 -0.89 0.37 -1.40 0.00 0.00 179.01 176.92 2eh0 h GLN 116 N -0.98 0.40 0.00 2.33 5.75 -1.90 -3.22 115.11 117.50 2eh0 h GLN 116 Ca -0.03 -0.58 0.00 0.00 -0.15 0.00 0.00 58.65 57.89 2eh0 h GLN 116 Cb 0.20 0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2eh0 h GLN 116 CO 0.04 1.25 0.34 0.00 -2.65 0.00 0.00 178.83 177.81 2eh0 h ALA 117 N 0.18 1.28 -0.13 3.38 0.00 -1.70 0.28 119.26 122.56 2eh0 h ALA 117 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2eh0 h ALA 117 Cb 1.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2eh0 h ALA 117 CO 0.17 -0.28 -0.41 0.07 0.00 0.00 0.00 179.25 178.79 2eh0 h ARG 118 N 0.00 0.29 -1.00 0.00 0.11 -1.59 -2.94 114.38 109.25 2eh0 h ARG 118 Ca 0.00 -0.14 0.29 0.00 0.10 0.00 0.00 59.98 60.23 2eh0 h ARG 118 Cb 0.67 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.71 2eh0 h ARG 118 CO 0.00 0.66 0.87 0.00 0.10 0.00 0.00 179.97 181.61 2eh0 h ALA 119 N 1.32 2.87 0.09 0.08 0.00 -0.62 1.00 119.26 124.00 2eh0 h ALA 119 Ca 0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2eh0 h ALA 119 Cb 0.84 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2eh0 h ALA 119 CO 0.07 -1.39 -1.18 1.05 0.00 0.00 0.00 179.25 177.79 2eh0 h GLU 120 N 0.00 0.18 0.00 0.00 4.11 -1.70 -3.28 114.58 113.90 2eh0 h GLU 120 Ca 0.48 -0.32 -0.12 0.00 0.07 0.00 0.00 59.36 59.47 2eh0 h GLU 120 Cb 2.22 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 31.57 2eh0 h GLU 120 CO -0.01 1.14 -0.57 0.00 0.07 0.00 0.00 179.01 179.65 2eh0 h ARG 121 N 0.05 0.00 -0.69 1.06 2.47 0.80 -3.20 114.38 114.87 2eh0 h ARG 121 Ca -0.10 0.00 0.17 0.00 -1.26 0.00 0.00 59.98 58.79 2eh0 h ARG 121 Cb 1.91 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.20 2eh0 h ARG 121 CO 0.18 0.57 0.48 1.05 0.56 0.00 0.00 179.97 182.81 2eh0 h GLU 122 N 0.00 0.16 -6.20 0.04 4.11 -0.98 -3.43 114.58 108.28 2eh0 h GLU 122 Ca -0.01 -0.01 -0.49 0.00 0.07 0.00 0.00 59.36 58.92 2eh0 h GLU 122 Cb 1.32 -0.04 0.25 0.00 0.50 0.00 0.00 28.75 30.78 2eh0 h GLU 122 CO 0.07 0.10 -2.11 0.36 0.07 0.00 0.00 179.01 177.51 2eh0 n LYS 123 N -4.40 -0.39 -1.44 1.06 2.85 -1.21 -4.42 118.16 110.21 2eh0 n LYS 123 Ca 0.13 -0.11 -0.46 0.00 -1.05 0.00 0.00 58.31 56.83 2eh0 n LYS 123 Cb 0.65 -1.21 -0.14 0.00 -0.65 0.00 0.00 35.03 33.68 2eh0 n LYS 123 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2eh0 n THR 124 N -3.57 0.00 -4.48 0.58 -1.04 -1.26 -4.88 114.28 99.63 2eh0 n THR 124 Ca -0.01 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.05 61.76 2eh0 n THR 124 Cb 0.69 -0.53 -0.16 0.00 -1.82 0.00 0.00 70.33 68.51 2eh0 n THR 124 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2eh0 s SER 125 N 8.25 1.50 0.47 8.00 1.04 -1.26 -5.13 113.70 126.57 2eh0 s SER 125 Ca 1.31 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 57.28 2eh0 s SER 125 Cb -1.31 -0.63 -0.07 0.00 0.10 0.00 0.00 66.02 64.10 2eh0 s SER 125 CO 0.53 0.03 1.14 -0.83 0.98 0.00 0.00 173.24 175.09 2eh0 s GLY 126 N 0.58 2.73 1.13 7.32 0.00 -1.26 -5.03 107.32 112.80 2eh0 s GLY 126 Ca -0.11 0.87 -0.17 0.00 0.00 0.00 0.00 44.72 45.31 2eh0 s GLY 126 CO 0.02 1.30 1.10 2.56 0.00 0.00 0.00 173.10 178.08 2eh0 s PRO 127 N -2.80 -0.67 -0.03 2.90 0.04 -1.26 -5.01 135.00 128.17 2eh0 s PRO 127 Ca 0.65 0.13 0.05 0.00 0.04 0.00 0.00 61.00 61.87 2eh0 s PRO 127 Cb -0.26 -1.64 0.07 0.00 0.04 0.00 0.00 34.50 32.71 2eh0 s PRO 127 CO 0.32 -3.39 0.91 0.43 0.04 0.00 0.00 177.00 175.31 2eh0 n SER 128 N -4.57 1.16 -4.49 6.66 7.64 -1.26 -5.09 113.62 113.67 2eh0 n SER 128 Ca 0.10 -2.02 -0.30 0.00 1.01 0.00 0.00 58.87 57.66 2eh0 n SER 128 Cb 0.59 -0.15 0.21 0.00 -1.01 0.00 0.00 64.21 63.85 2eh0 n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eh0 n SER 129 N -0.50 -1.32 0.00 6.43 7.64 -1.26 -5.39 113.62 119.22 2eh0 n SER 129 Ca 0.04 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2eh0 n SER 129 Cb 0.51 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2eh0 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64