#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eh0 n SER 2 N 0.00 1.62 -4.53 1.61 2.88 -1.26 -4.95 113.62 108.99 2eh0 n SER 2 Ca 0.00 0.10 -0.54 0.00 -1.33 0.00 0.00 58.87 57.10 2eh0 n SER 2 Cb 0.00 -0.36 -0.06 0.00 -0.75 0.00 0.00 64.21 63.04 2eh0 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eh0 n SER 3 N -3.25 0.59 0.00 -3.46 7.64 -1.26 -4.70 113.62 109.18 2eh0 n SER 3 Ca -0.34 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.68 2eh0 n SER 3 Cb 1.04 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2eh0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eh0 n GLY 4 N 1.93 0.41 2.46 0.23 0.00 -1.26 -5.11 105.19 103.86 2eh0 n GLY 4 Ca 0.18 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2eh0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eh0 n SER 5 N 0.00 1.63 -0.37 1.61 7.64 -1.26 -4.98 113.62 117.89 2eh0 n SER 5 Ca 0.00 -2.94 -0.04 0.00 1.01 0.00 0.00 58.87 56.91 2eh0 n SER 5 Cb 0.00 -0.65 0.01 0.00 -1.01 0.00 0.00 64.21 62.55 2eh0 n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2eh0 h SER 6 N 4.75 -1.57 -0.91 6.43 4.64 -2.00 -3.46 113.55 121.44 2eh0 h SER 6 Ca 0.17 0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2eh0 h SER 6 Cb 0.80 0.78 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2eh0 h SER 6 CO 0.60 -0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 2eh0 n GLY 7 N -1.42 3.16 3.60 -0.77 0.00 -1.26 -4.50 105.19 104.00 2eh0 n GLY 7 Ca 0.08 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 0.00 0.07 2.61 2.01 -1.26 -4.77 115.64 112.30 2eh0 s THR 8 Ca 0.00 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 2eh0 s THR 8 Cb 0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 2eh0 s THR 8 CO 0.00 0.00 1.40 -2.16 -0.69 0.00 0.00 174.62 173.17 2eh0 s PRO 9 N -0.65 4.31 0.05 4.92 0.04 -1.26 -4.55 135.00 137.86 2eh0 s PRO 9 Ca 0.00 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 2eh0 s PRO 9 Cb -0.02 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 31.15 2eh0 s PRO 9 CO -0.02 -0.49 0.32 -3.38 0.04 0.00 0.00 177.00 173.47 2eh0 s HIS 10 N 1.63 -0.12 -0.12 0.56 -3.43 -1.13 -0.02 115.29 112.66 2eh0 s HIS 10 Ca 0.64 -0.03 -0.04 0.00 -0.80 0.00 0.00 55.06 54.83 2eh0 s HIS 10 Cb -0.35 0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 30.88 2eh0 s HIS 10 CO 0.29 -0.53 0.04 -0.51 -2.00 0.00 0.00 174.74 172.04 2eh0 s LEU 11 N -2.15 3.80 0.08 5.38 1.43 0.57 -1.24 118.68 126.54 2eh0 s LEU 11 Ca -0.04 0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 2eh0 s LEU 11 Cb -0.00 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2eh0 s LEU 11 CO -0.04 0.32 -0.07 -0.69 0.23 0.00 0.00 176.35 176.10 2eh0 s VAL 12 N -0.53 3.57 -1.11 -1.59 1.01 -0.45 0.08 120.40 121.39 2eh0 s VAL 12 Ca 0.10 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 2eh0 s VAL 12 Cb -0.12 -2.66 0.16 0.00 0.00 0.00 0.00 36.38 33.77 2eh0 s VAL 12 CO 0.02 0.16 1.31 0.20 0.00 0.00 0.00 175.10 176.79 2eh0 s ASN 13 N -2.10 6.93 0.00 3.32 -0.87 0.25 -1.29 114.94 121.19 2eh0 s ASN 13 Ca 0.22 -2.71 0.26 0.00 -1.57 0.00 0.00 52.86 49.06 2eh0 s ASN 13 Cb -0.11 -2.39 1.04 0.00 -0.02 0.00 0.00 41.25 39.77 2eh0 s ASN 13 CO 0.14 -0.83 1.73 0.00 -2.57 0.00 0.00 177.10 175.57 2eh0 n LEU 14 N 5.78 1.37 -4.28 0.60 -0.00 -1.26 -4.92 117.00 114.29 2eh0 n LEU 14 Ca 0.32 -0.50 -0.30 0.00 -0.00 0.00 0.00 56.01 55.53 2eh0 n LEU 14 Cb 0.45 -0.03 0.29 0.00 -0.00 0.00 0.00 43.42 44.13 2eh0 n LEU 14 CO 0.57 0.25 0.39 -0.46 -0.00 0.00 0.00 177.39 178.14 2eh0 n ASN 15 N 0.09 -3.62 -0.00 1.45 0.23 -1.26 -4.96 115.26 107.19 2eh0 n ASN 15 Ca 0.18 -0.71 0.10 0.00 -0.53 0.00 0.00 54.58 53.63 2eh0 n ASN 15 Cb 0.32 -1.07 -0.13 0.00 -2.08 0.00 0.00 39.78 36.82 2eh0 n ASN 15 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2eh0 n GLU 16 N -5.65 0.39 -0.95 -3.83 0.28 -1.26 -4.95 120.64 104.66 2eh0 n GLU 16 Ca 0.11 -0.05 -0.21 0.00 -0.16 0.00 0.00 57.16 56.85 2eh0 n GLU 16 Cb 0.59 -1.47 -0.11 0.00 1.43 0.00 0.00 31.44 31.88 2eh0 n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2eh0 n ASP 17 N -1.68 -0.26 0.00 -1.84 8.00 -1.26 -4.66 116.55 114.85 2eh0 n ASP 17 Ca 0.02 -0.07 0.08 0.00 0.71 0.00 0.00 54.79 55.53 2eh0 n ASP 17 Cb 0.38 -0.48 0.46 0.00 -0.02 0.00 0.00 41.12 41.46 2eh0 n ASP 17 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2eh0 n PRO 18 N 4.61 0.48 -0.04 -0.24 -0.04 -1.26 -1.92 135.00 136.59 2eh0 n PRO 18 Ca 0.42 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.90 2eh0 n PRO 18 Cb 0.05 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.01 1.47 -4.53 1.53 4.77 -1.26 -5.03 117.00 112.94 2eh0 n LEU 19 Ca 0.12 -1.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.03 2eh0 n LEU 19 Cb 0.06 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2eh0 n LEU 19 CO 0.09 0.40 1.94 1.15 -1.33 0.00 0.00 177.39 179.64 2eh0 n MET 20 N -0.50 1.19 0.00 3.23 0.00 -0.81 -4.76 117.12 115.48 2eh0 n MET 20 Ca 0.02 0.22 0.10 0.00 0.00 0.00 0.00 57.70 58.05 2eh0 n MET 20 Cb 0.39 -2.93 -0.05 0.00 0.00 0.00 0.00 33.22 30.63 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 12.64 1.01 -4.82 3.17 2.88 -1.26 -4.95 113.62 122.29 2eh0 n SER 21 Ca 0.39 -0.94 -0.33 0.00 -1.33 0.00 0.00 58.87 56.67 2eh0 n SER 21 Cb 0.38 0.85 -0.06 0.00 -0.75 0.00 0.00 64.21 64.63 2eh0 n SER 21 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2eh0 s GLU 22 N -2.95 4.17 0.15 -1.46 2.02 -1.26 -4.95 118.70 114.41 2eh0 s GLU 22 Ca 0.09 1.11 -0.20 0.00 0.02 0.00 0.00 54.97 55.99 2eh0 s GLU 22 Cb 0.16 -2.17 -0.12 0.00 0.10 0.00 0.00 34.13 32.10 2eh0 s GLU 22 CO 0.82 -0.08 0.37 0.00 0.02 0.00 0.00 175.26 176.39 2eh0 h LEU 24 N 0.72 0.23 -8.08 0.00 -0.00 -1.95 -3.45 115.31 102.78 2eh0 h LEU 24 Ca -0.20 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.52 2eh0 h LEU 24 Cb 1.04 -0.06 -0.13 0.00 -0.00 0.00 0.00 40.66 41.51 2eh0 h LEU 24 CO 0.41 0.37 -0.37 -1.48 -0.00 0.00 0.00 178.44 177.37 2eh0 s LEU 25 N -8.83 1.14 -0.06 1.67 0.05 -1.26 0.85 118.68 112.24 2eh0 s LEU 25 Ca -0.06 -0.87 -0.00 0.00 0.05 0.00 0.00 54.13 53.25 2eh0 s LEU 25 Cb 0.16 1.06 0.03 0.00 -2.05 0.00 0.00 46.19 45.38 2eh0 s LEU 25 CO 0.73 -0.85 -0.01 -0.31 -0.55 0.00 0.00 176.35 175.36 2eh0 s TYR 26 N -3.96 0.63 0.01 3.48 2.02 0.11 -4.95 117.35 114.69 2eh0 s TYR 26 Ca 0.16 -0.15 -0.29 0.00 -0.37 0.00 0.00 57.07 56.41 2eh0 s TYR 26 Cb 0.04 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 2eh0 s TYR 26 CO -0.02 -0.26 0.95 0.71 -1.57 0.00 0.00 175.55 175.36 2eh0 s TYR 27 N 1.52 3.67 -0.25 2.71 2.02 -1.26 -0.32 117.35 125.45 2eh0 s TYR 27 Ca -0.02 1.67 -0.09 0.00 -0.37 0.00 0.00 57.07 58.26 2eh0 s TYR 27 Cb -0.13 -3.08 -0.04 0.00 -0.40 0.00 0.00 41.96 38.31 2eh0 s TYR 27 CO -0.03 0.03 0.12 0.42 -1.57 0.00 0.00 175.55 174.51 2eh0 s ILE 28 N 0.86 4.84 0.91 2.71 1.01 0.97 -4.97 121.20 127.53 2eh0 s ILE 28 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 61.01 2eh0 s ILE 28 Cb -0.21 -3.26 0.17 0.00 0.01 0.00 0.00 42.46 39.17 2eh0 s ILE 28 CO 0.27 0.33 1.27 -1.59 0.00 0.00 0.00 174.94 175.22 2eh0 s LYS 29 N 1.38 1.00 -1.17 2.79 0.00 -1.26 -4.29 119.74 118.19 2eh0 s LYS 29 Ca 0.06 -0.35 -0.17 0.00 0.00 0.00 0.00 55.97 55.51 2eh0 s LYS 29 Cb -0.15 -1.91 0.11 0.00 0.00 0.00 0.00 37.83 35.89 2eh0 s LYS 29 CO 0.06 -2.17 1.49 -0.51 0.00 0.00 0.00 175.35 174.22 2eh0 s ASP 30 N -4.81 6.84 0.00 0.03 1.01 -1.26 -4.73 116.67 113.75 2eh0 s ASP 30 Ca 0.71 -2.45 0.00 0.00 0.71 0.00 0.00 52.55 51.52 2eh0 s ASP 30 Cb -0.05 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2eh0 s ASP 30 CO 0.51 -1.04 0.00 0.61 0.21 0.00 0.00 175.17 175.46 2eh0 n GLY 31 N 5.15 0.27 2.89 0.21 0.00 -1.21 -4.96 105.19 107.53 2eh0 n GLY 31 Ca 0.38 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.60 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 2.59 1.19 -0.46 -0.61 -1.09 -1.26 -1.32 121.20 120.24 2eh0 s ILE 32 Ca 0.00 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.56 2eh0 s ILE 32 Cb 0.00 -1.43 0.12 0.00 -1.58 0.00 0.00 42.46 39.57 2eh0 s ILE 32 CO 0.00 0.02 0.28 -0.89 -1.23 0.00 0.00 174.94 173.12 2eh0 s THR 33 N 1.58 3.55 0.49 2.92 2.01 0.55 -4.97 115.64 121.77 2eh0 s THR 33 Ca -0.02 -2.17 -0.22 0.00 0.31 0.00 0.00 61.69 59.59 2eh0 s THR 33 Cb -0.17 -3.39 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 2eh0 s THR 33 CO -0.07 -0.74 1.20 -0.13 -0.69 0.00 0.00 174.62 174.18 2eh0 s ARG 34 N 0.96 3.59 -0.16 4.92 0.52 -1.26 0.14 118.95 127.66 2eh0 s ARG 34 Ca 0.09 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.16 2eh0 s ARG 34 Cb -0.23 -2.34 0.03 0.00 0.52 0.00 0.00 34.95 32.94 2eh0 s ARG 34 CO -0.03 -0.72 -0.09 0.08 0.02 0.00 0.00 175.30 174.55 2eh0 s VAL 35 N -1.51 1.35 0.00 3.52 1.01 0.11 -2.52 120.40 122.35 2eh0 s VAL 35 Ca 0.66 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2eh0 s VAL 35 Cb -0.31 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2eh0 s VAL 35 CO 0.37 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.36 2eh0 n GLY 36 N 4.82 -0.82 3.92 4.51 0.00 -0.91 -1.75 105.19 114.95 2eh0 n GLY 36 Ca -0.14 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2eh0 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eh0 s GLN 37 N -0.25 3.37 0.20 1.61 -0.21 -0.64 -1.80 119.66 121.94 2eh0 s GLN 37 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.80 2eh0 s GLN 37 Cb 0.00 -2.95 0.15 0.00 1.00 0.00 0.00 33.01 31.21 2eh0 s GLN 37 CO 0.00 0.55 1.50 0.00 -2.12 0.00 0.00 175.29 175.22 2eh0 h ALA 38 N 2.48 0.72 0.00 6.09 0.00 -1.89 -3.03 119.26 123.63 2eh0 h ALA 38 Ca -0.47 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 53.82 2eh0 h ALA 38 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2eh0 h ALA 38 CO 0.70 0.72 -0.29 0.22 0.00 0.00 0.00 179.25 180.61 2eh0 h ASP 39 N 0.29 0.00 -1.41 0.00 3.58 -1.95 -3.42 116.42 113.50 2eh0 h ASP 39 Ca -0.01 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.94 2eh0 h ASP 39 Cb 1.16 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.34 2eh0 h ASP 39 CO 0.11 0.29 -0.80 0.00 -2.88 0.00 0.00 179.24 175.95 2eh0 n ALA 40 N -2.46 -2.70 -0.35 -0.78 0.00 -1.15 -4.75 120.51 108.33 2eh0 n ALA 40 Ca -0.02 0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 2eh0 n ALA 40 Cb 0.34 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 1.11 -0.31 -3.71 0.00 -0.58 -1.26 -4.09 120.64 111.79 2eh0 n GLU 41 Ca 0.09 1.30 -0.35 0.00 -0.42 0.00 0.00 57.16 57.77 2eh0 n GLU 41 Cb 0.33 -1.91 -0.08 0.00 -0.57 0.00 0.00 31.44 29.21 2eh0 n GLU 41 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2eh0 s ARG 42 N -5.56 4.19 0.21 3.49 6.06 -1.26 -5.05 118.95 121.03 2eh0 s ARG 42 Ca -0.11 -0.19 -0.31 0.00 -2.50 0.00 0.00 55.73 52.61 2eh0 s ARG 42 Cb 0.12 -3.42 -0.15 0.00 0.06 0.00 0.00 34.95 31.57 2eh0 s ARG 42 CO 0.56 0.30 1.19 -2.13 -2.50 0.00 0.00 175.30 172.72 2eh0 n ARG 43 N 3.51 1.42 -4.50 5.12 0.63 -1.26 -4.95 116.66 116.63 2eh0 n ARG 43 Ca -0.16 0.50 -0.32 0.00 -0.92 0.00 0.00 57.85 56.95 2eh0 n ARG 43 Cb 0.52 -2.02 -0.11 0.00 0.45 0.00 0.00 32.46 31.31 2eh0 n ARG 43 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2eh0 s GLN 44 N -0.61 2.58 0.03 -0.14 -1.52 -1.26 -4.90 119.66 113.84 2eh0 s GLN 44 Ca 0.69 -0.69 -0.29 0.00 -1.95 0.00 0.00 55.36 53.12 2eh0 s GLN 44 Cb -0.77 -2.51 -0.17 0.00 -0.22 0.00 0.00 33.01 29.33 2eh0 s GLN 44 CO 0.53 0.61 1.34 0.22 -0.25 0.00 0.00 175.29 177.75 2eh0 h ASP 45 N 4.68 -0.72 -3.51 5.90 1.82 -1.84 -3.42 116.42 119.33 2eh0 h ASP 45 Ca -0.48 -0.02 -0.61 0.00 -0.39 0.00 0.00 57.03 55.53 2eh0 h ASP 45 Cb 1.17 0.19 -0.12 0.00 0.68 0.00 0.00 39.33 41.24 2eh0 h ASP 45 CO 0.53 -0.40 -0.31 -0.63 -1.61 0.00 0.00 179.24 176.82 2eh0 s ILE 46 N -5.23 5.26 -0.19 2.25 1.01 -1.19 -5.05 121.20 118.05 2eh0 s ILE 46 Ca -0.16 0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.93 2eh0 s ILE 46 Cb 0.02 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2eh0 s ILE 46 CO 0.53 0.29 0.07 -0.69 0.00 0.00 0.00 174.94 175.14 2eh0 s VAL 47 N 1.19 4.76 -0.31 2.92 1.01 -1.25 -2.15 120.40 126.57 2eh0 s VAL 47 Ca 0.15 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2eh0 s VAL 47 Cb -0.14 -3.15 0.09 0.00 0.00 0.00 0.00 36.38 33.17 2eh0 s VAL 47 CO 0.07 0.44 0.00 -0.76 0.00 0.00 0.00 175.10 174.85 2eh0 s LEU 48 N 0.51 3.97 -0.06 3.92 2.01 -0.75 -5.01 118.68 123.26 2eh0 s LEU 48 Ca 0.03 -1.81 0.03 0.00 0.01 0.00 0.00 54.13 52.40 2eh0 s LEU 48 Cb -0.13 -1.49 0.00 0.00 0.01 0.00 0.00 46.19 44.58 2eh0 s LEU 48 CO 0.01 -0.32 -0.16 -0.55 1.01 0.00 0.00 176.35 176.34 2eh0 s SER 49 N 1.07 2.17 0.00 2.29 0.15 -1.26 -4.76 113.70 113.36 2eh0 s SER 49 Ca 0.04 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2eh0 s SER 49 Cb -0.19 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2eh0 s SER 49 CO -0.09 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2eh0 n GLY 50 N 3.52 0.16 2.84 9.45 0.00 -1.26 -5.14 105.19 114.77 2eh0 n GLY 50 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -1.70 -1.51 4.61 0.00 -1.26 -5.04 120.51 115.61 2eh0 n ALA 51 Ca 0.00 -0.84 -0.50 0.00 0.00 0.00 0.00 53.44 52.10 2eh0 n ALA 51 Cb 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.48 1.75 -3.76 0.00 8.25 -1.26 -4.93 115.22 114.80 2eh0 n HIS 52 Ca -0.04 0.21 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 2eh0 n HIS 52 Cb 0.44 -2.57 -0.13 0.00 1.12 0.00 0.00 29.99 28.86 2eh0 n HIS 52 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2eh0 s ILE 53 N 6.86 -0.02 -0.06 1.59 -1.09 -1.26 -4.36 121.20 122.85 2eh0 s ILE 53 Ca 1.06 0.07 -0.17 0.00 -2.23 0.00 0.00 60.65 59.38 2eh0 s ILE 53 Cb -0.79 -0.34 -0.05 0.00 -1.58 0.00 0.00 42.46 39.70 2eh0 s ILE 53 CO 0.49 0.03 0.47 -0.54 -1.23 0.00 0.00 174.94 174.16 2eh0 s LYS 54 N 0.68 4.22 0.24 2.79 -0.14 -1.26 -4.95 119.74 121.32 2eh0 s LYS 54 Ca -0.05 0.48 0.07 0.00 -1.36 0.00 0.00 55.97 55.10 2eh0 s LYS 54 Cb -0.06 -3.36 0.71 0.00 -1.68 0.00 0.00 37.83 33.45 2eh0 s LYS 54 CO -0.04 0.35 1.14 0.39 -0.76 0.00 0.00 175.35 176.44 2eh0 n GLU 55 N 2.95 -0.05 -2.48 1.68 1.02 -1.26 0.82 120.64 123.32 2eh0 n GLU 55 Ca -0.09 1.05 -0.27 0.00 -0.02 0.00 0.00 57.16 57.84 2eh0 n GLU 55 Cb 0.52 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2eh0 n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2eh0 n GLU 56 N -4.86 3.39 -0.00 3.49 -0.58 -1.26 -1.63 120.64 119.18 2eh0 n GLU 56 Ca 0.21 -4.48 -0.00 0.00 -0.42 0.00 0.00 57.16 52.47 2eh0 n GLU 56 Cb 0.70 -2.23 -0.00 0.00 -0.57 0.00 0.00 31.44 29.34 2eh0 n GLU 56 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2eh0 n HIS 57 N -0.47 -0.00 -4.02 -0.32 -0.00 0.24 -4.66 115.22 105.98 2eh0 n HIS 57 Ca 0.38 0.01 -0.13 0.00 -0.00 0.00 0.00 57.72 57.98 2eh0 n HIS 57 Cb 0.66 -0.37 -0.03 0.00 -0.00 0.00 0.00 29.99 30.26 2eh0 n HIS 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2eh0 s ILE 59 N -2.79 0.15 -0.32 0.00 1.01 -1.00 0.07 121.20 118.33 2eh0 s ILE 59 Ca 0.27 -1.14 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2eh0 s ILE 59 Cb -0.01 -0.58 0.06 0.00 0.01 0.00 0.00 42.46 41.94 2eh0 s ILE 59 CO 0.19 -0.62 0.03 -0.36 0.00 0.00 0.00 174.94 174.18 2eh0 s PHE 60 N -2.07 3.34 -0.15 3.97 0.08 0.12 -0.87 117.98 122.40 2eh0 s PHE 60 Ca -0.10 -2.04 -0.08 0.00 0.12 0.00 0.00 56.93 54.83 2eh0 s PHE 60 Cb -0.06 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2eh0 s PHE 60 CO -0.03 -0.84 0.13 0.50 -0.10 0.00 0.00 175.22 174.88 2eh0 s ARG 61 N 1.21 3.75 -0.10 0.44 3.00 0.27 -0.33 118.95 127.18 2eh0 s ARG 61 Ca -0.02 -0.17 -0.00 0.00 -1.00 0.00 0.00 55.73 54.53 2eh0 s ARG 61 Cb -0.20 -3.28 0.02 0.00 0.00 0.00 0.00 34.95 31.49 2eh0 s ARG 61 CO -0.02 0.58 -0.08 -1.12 0.00 0.00 0.00 175.30 174.66 2eh0 s SER 62 N -0.44 2.07 -0.09 -2.12 0.01 -0.43 0.09 113.70 112.79 2eh0 s SER 62 Ca 0.12 -0.29 -0.08 0.00 1.31 0.00 0.00 55.95 57.02 2eh0 s SER 62 Cb -0.12 -0.81 0.02 0.00 0.21 0.00 0.00 66.02 65.33 2eh0 s SER 62 CO 0.01 -0.10 0.23 -0.70 0.41 0.00 0.00 173.24 173.09 2eh0 s GLU 63 N 1.58 0.26 -0.31 12.44 2.12 0.35 -3.35 118.70 131.80 2eh0 s GLU 63 Ca 0.02 0.34 -0.28 0.00 0.36 0.00 0.00 54.97 55.41 2eh0 s GLU 63 Cb -0.13 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.39 2eh0 s GLU 63 CO -0.06 -0.04 1.02 0.50 -0.54 0.00 0.00 175.26 176.13 2eh0 s ARG 64 N 0.22 4.06 0.96 4.30 3.52 -1.26 -0.47 118.95 130.27 2eh0 s ARG 64 Ca -0.01 1.00 -0.12 0.00 -0.13 0.00 0.00 55.73 56.46 2eh0 s ARG 64 Cb -0.02 -3.73 0.07 0.00 -1.56 0.00 0.00 34.95 29.71 2eh0 s ARG 64 CO -0.00 -0.85 0.56 0.45 -0.81 0.00 0.00 175.30 174.65 2eh0 n SER 65 N 6.72 -1.56 0.03 -2.12 2.88 0.10 -4.70 113.62 114.96 2eh0 n SER 65 Ca 0.10 0.30 0.22 0.00 -1.33 0.00 0.00 58.87 58.17 2eh0 n SER 65 Cb 0.47 -1.25 0.73 0.00 -0.75 0.00 0.00 64.21 63.41 2eh0 n SER 65 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2eh0 h ASN 66 N -1.71 0.00 0.78 -3.46 -1.24 -1.95 0.56 115.58 108.56 2eh0 h ASN 66 Ca -0.45 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.48 2eh0 h ASN 66 Cb 1.29 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2eh0 h ASN 66 CO 0.36 0.00 -0.43 0.28 -1.29 0.00 0.00 177.43 176.36 2eh0 h SER 67 N 0.00 0.00 0.00 1.15 0.02 -2.02 -3.46 113.55 109.23 2eh0 h SER 67 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2eh0 h SER 67 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2eh0 h SER 67 CO -0.00 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 176.72 2eh0 n GLY 68 N 0.21 1.56 3.46 -3.77 0.00 0.20 -5.11 105.19 101.74 2eh0 n GLY 68 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.06 3.62 -0.28 1.61 -1.05 -1.24 -4.84 118.70 116.45 2eh0 s GLU 69 Ca 0.00 -0.54 -0.29 0.00 -0.15 0.00 0.00 54.97 54.00 2eh0 s GLU 69 Cb 0.00 -2.94 -0.02 0.00 -0.44 0.00 0.00 34.13 30.73 2eh0 s GLU 69 CO 0.00 0.16 1.79 0.08 0.95 0.00 0.00 175.26 178.24 2eh0 s VAL 70 N 0.58 3.48 -0.01 1.83 1.01 -1.26 0.02 120.40 126.06 2eh0 s VAL 70 Ca -0.03 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.49 2eh0 s VAL 70 Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2eh0 s VAL 70 CO 0.03 -0.34 -0.06 -0.63 0.00 0.00 0.00 175.10 174.09 2eh0 s ILE 71 N 6.48 3.67 0.11 2.22 -1.09 0.38 -4.94 121.20 128.03 2eh0 s ILE 71 Ca 0.80 -0.72 0.09 0.00 -2.23 0.00 0.00 60.65 58.58 2eh0 s ILE 71 Cb -0.24 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 2eh0 s ILE 71 CO 0.33 0.42 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.60 2eh0 s VAL 72 N -0.97 2.87 -0.05 2.92 1.01 -1.26 -0.49 120.40 124.43 2eh0 s VAL 72 Ca 0.16 -1.48 -0.02 0.00 0.00 0.00 0.00 61.98 60.64 2eh0 s VAL 72 Cb -0.11 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.98 2eh0 s VAL 72 CO 0.07 0.10 0.11 -0.89 0.00 0.00 0.00 175.10 174.49 2eh0 s THR 73 N -1.14 -0.04 -0.17 3.92 2.01 0.11 0.01 115.64 120.35 2eh0 s THR 73 Ca 0.18 0.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.19 2eh0 s THR 73 Cb -0.11 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 2eh0 s THR 73 CO 0.10 0.06 0.28 -0.22 -0.69 0.00 0.00 174.62 174.15 2eh0 s LEU 74 N 0.86 4.23 -0.87 4.42 2.96 0.02 -0.56 118.68 129.74 2eh0 s LEU 74 Ca -0.07 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2eh0 s LEU 74 Cb -0.09 -2.35 0.21 0.00 0.50 0.00 0.00 46.19 44.46 2eh0 s LEU 74 CO -0.04 0.10 0.75 -0.62 -1.32 0.00 0.00 176.35 175.21 2eh0 n GLU 75 N 3.63 2.52 -1.18 1.98 4.71 -0.05 -2.64 120.64 129.60 2eh0 n GLU 75 Ca -0.12 -4.49 -0.29 0.00 -0.01 0.00 0.00 57.16 52.25 2eh0 n GLU 75 Cb 0.52 -2.39 0.16 0.00 -1.01 0.00 0.00 31.44 28.72 2eh0 n GLU 75 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2eh0 s PRO 76 N -1.42 0.75 -0.12 3.49 0.04 -1.26 -2.36 135.00 134.11 2eh0 s PRO 76 Ca 0.27 0.64 -0.06 0.00 0.04 0.00 0.00 61.00 61.89 2eh0 s PRO 76 Cb -0.06 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2eh0 s PRO 76 CO -0.13 -2.54 0.11 0.00 0.04 0.00 0.00 177.00 174.48 2eh0 h GLU 78 N 5.22 0.00 -0.46 0.00 -0.00 -1.91 0.28 114.58 117.71 2eh0 h GLU 78 Ca -0.52 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 58.50 2eh0 h GLU 78 Cb 1.21 0.00 -0.30 0.00 -0.00 0.00 0.00 28.75 29.67 2eh0 h GLU 78 CO 0.59 0.00 -0.76 0.54 -0.00 0.00 0.00 179.01 179.38 2eh0 n ARG 79 N -3.19 2.64 -3.87 1.06 1.74 -1.26 -4.97 116.66 108.82 2eh0 n ARG 79 Ca 0.04 -3.74 -0.30 0.00 -0.77 0.00 0.00 57.85 53.08 2eh0 n ARG 79 Cb 0.61 -1.90 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 2eh0 n ARG 79 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2eh0 s SER 80 N -3.43 3.91 -0.77 0.55 0.01 0.98 -4.95 113.70 110.00 2eh0 s SER 80 Ca 0.44 -1.40 -0.28 0.00 1.31 0.00 0.00 55.95 56.02 2eh0 s SER 80 Cb 0.39 -1.08 -0.16 0.00 0.21 0.00 0.00 66.02 65.38 2eh0 s SER 80 CO -0.01 -0.32 2.56 -0.62 0.41 0.00 0.00 173.24 175.26 2eh0 n GLU 81 N 4.71 0.47 -3.96 12.44 4.71 -1.26 -4.49 120.64 133.25 2eh0 n GLU 81 Ca -0.06 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.16 56.91 2eh0 n GLU 81 Cb 0.44 -2.40 -0.15 0.00 -1.01 0.00 0.00 31.44 28.32 2eh0 n GLU 81 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2eh0 s THR 82 N 10.35 0.18 -0.02 2.62 2.01 -1.26 -1.99 115.64 127.52 2eh0 s THR 82 Ca 1.18 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.18 2eh0 s THR 82 Cb -0.75 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 71.57 2eh0 s THR 82 CO 0.38 0.10 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.10 2eh0 s TYR 83 N 0.50 0.25 0.00 4.92 1.51 -0.72 -1.73 117.35 122.08 2eh0 s TYR 83 Ca -0.05 0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.06 2eh0 s TYR 83 Cb -0.08 -0.33 -0.01 0.00 -0.11 0.00 0.00 41.96 41.44 2eh0 s TYR 83 CO -0.01 -0.10 -0.12 0.08 -1.11 0.00 0.00 175.55 174.29 2eh0 s VAL 84 N 0.79 0.97 -1.48 0.71 1.01 0.31 -0.25 120.40 122.46 2eh0 s VAL 84 Ca -0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2eh0 s VAL 84 Cb -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2eh0 s VAL 84 CO -0.02 0.20 0.16 0.59 0.00 0.00 0.00 175.10 176.04 2eh0 n ASN 85 N 2.58 -5.33 0.00 3.32 4.13 -0.97 -1.34 115.26 117.65 2eh0 n ASN 85 Ca -0.15 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.02 2eh0 n ASN 85 Cb 0.56 -4.32 0.00 0.00 -1.54 0.00 0.00 39.78 34.47 2eh0 n ASN 85 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eh0 n GLY 86 N -1.14 0.48 3.56 7.41 0.00 -1.25 -4.94 105.19 109.31 2eh0 n GLY 86 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.38 1.97 0.31 1.61 -0.14 -0.45 -5.13 119.74 117.52 2eh0 s LYS 87 Ca 0.00 -2.21 -0.15 0.00 -1.36 0.00 0.00 55.97 52.25 2eh0 s LYS 87 Cb 0.00 -0.78 -0.09 0.00 -1.68 0.00 0.00 37.83 35.29 2eh0 s LYS 87 CO 0.00 -0.45 0.72 0.50 -0.76 0.00 0.00 175.35 175.35 2eh0 s ARG 88 N -3.74 4.00 -0.36 1.68 3.52 -1.26 0.12 118.95 122.91 2eh0 s ARG 88 Ca 0.21 0.64 0.01 0.00 -0.13 0.00 0.00 55.73 56.46 2eh0 s ARG 88 Cb 0.02 -2.49 0.11 0.00 -1.56 0.00 0.00 34.95 31.04 2eh0 s ARG 88 CO 0.13 0.19 0.14 0.54 -0.81 0.00 0.00 175.30 175.49 2eh0 s VAL 89 N -1.93 1.12 -0.30 7.11 0.11 -0.70 -4.65 120.40 121.16 2eh0 s VAL 89 Ca 0.53 -1.86 0.08 0.00 -2.93 0.00 0.00 61.98 57.80 2eh0 s VAL 89 Cb -0.11 -1.82 0.50 0.00 -1.53 0.00 0.00 36.38 33.42 2eh0 s VAL 89 CO 0.18 -0.76 1.45 -1.20 -3.33 0.00 0.00 175.10 171.45 2eh0 n SER 90 N 4.35 2.67 -3.47 3.54 7.64 -1.26 -4.60 113.62 122.48 2eh0 n SER 90 Ca 0.02 -3.81 -0.11 0.00 1.01 0.00 0.00 58.87 55.99 2eh0 n SER 90 Cb 0.39 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.95 2eh0 n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eh0 s GLN 91 N -3.29 1.23 -0.77 1.43 0.00 -1.26 -4.80 119.66 112.19 2eh0 s GLN 91 Ca 0.45 -0.48 -0.25 0.00 -0.00 0.00 0.00 55.36 55.08 2eh0 s GLN 91 Cb 0.41 0.55 -0.04 0.00 0.00 0.00 0.00 33.01 33.93 2eh0 s GLN 91 CO -0.01 -0.54 1.91 -1.25 0.00 0.00 0.00 175.29 175.40 2eh0 s PRO 92 N -3.63 2.58 0.16 9.60 0.04 -1.25 -4.49 135.00 138.01 2eh0 s PRO 92 Ca 0.03 0.12 0.11 0.00 0.04 0.00 0.00 61.00 61.29 2eh0 s PRO 92 Cb -0.01 -4.76 -0.04 0.00 0.04 0.00 0.00 34.50 29.73 2eh0 s PRO 92 CO -0.10 -3.09 -0.22 0.14 0.04 0.00 0.00 177.00 173.76 2eh0 s VAL 93 N 9.64 2.51 0.30 -0.36 -7.23 -1.08 -4.91 120.40 119.27 2eh0 s VAL 93 Ca 0.69 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 2eh0 s VAL 93 Cb -0.09 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 2eh0 s VAL 93 CO 0.09 -0.02 1.22 -1.10 -0.31 0.00 0.00 175.10 174.98 2eh0 s GLN 94 N -2.44 4.47 0.75 4.82 -0.21 -1.26 -0.80 119.66 124.99 2eh0 s GLN 94 Ca 0.19 2.04 -0.09 0.00 0.02 0.00 0.00 55.36 57.52 2eh0 s GLN 94 Cb -0.09 -3.13 0.08 0.00 1.00 0.00 0.00 33.01 30.87 2eh0 s GLN 94 CO 0.09 -0.03 1.08 -0.51 -2.12 0.00 0.00 175.29 173.80 2eh0 s LEU 95 N -1.53 2.72 0.14 2.90 2.01 0.10 -4.85 118.68 120.17 2eh0 s LEU 95 Ca 0.48 0.53 0.02 0.00 0.01 0.00 0.00 54.13 55.16 2eh0 s LEU 95 Cb -0.36 -3.09 -0.04 0.00 0.01 0.00 0.00 46.19 42.70 2eh0 s LEU 95 CO 0.47 -1.76 -0.03 -0.13 1.01 0.00 0.00 176.35 175.92 2eh0 s ARG 96 N -5.38 0.98 -0.35 1.70 1.81 -1.26 -4.73 118.95 111.72 2eh0 s ARG 96 Ca 0.62 -1.44 -0.23 0.00 -1.72 0.00 0.00 55.73 52.95 2eh0 s ARG 96 Cb -0.10 -0.24 0.01 0.00 -0.45 0.00 0.00 34.95 34.16 2eh0 s ARG 96 CO 0.46 -0.08 0.77 -1.54 -0.68 0.00 0.00 175.30 174.23 2eh0 s SER 97 N -3.11 6.57 0.00 0.23 1.04 -1.26 -3.57 113.70 113.60 2eh0 s SER 97 Ca 0.18 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2eh0 s SER 97 Cb 0.06 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2eh0 s SER 97 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2eh0 n GLY 98 N 4.45 0.44 3.77 7.32 0.00 0.44 -4.93 105.19 116.68 2eh0 n GLY 98 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.32 5.82 -0.51 1.61 2.20 -1.23 -4.90 114.94 115.60 2eh0 s ASN 99 Ca 0.00 2.33 -0.18 0.00 -0.94 0.00 0.00 52.86 54.06 2eh0 s ASN 99 Cb 0.00 -2.60 0.07 0.00 -2.00 0.00 0.00 41.25 36.72 2eh0 s ASN 99 CO 0.00 -1.16 0.58 -0.60 -2.94 0.00 0.00 177.10 172.98 2eh0 s ARG 100 N -2.97 3.08 -0.24 3.55 3.00 -1.26 -3.68 118.95 120.43 2eh0 s ARG 100 Ca 0.69 -1.06 -0.10 0.00 -1.00 0.00 0.00 55.73 54.26 2eh0 s ARG 100 Cb -0.29 -4.13 -0.05 0.00 0.00 0.00 0.00 34.95 30.49 2eh0 s ARG 100 CO 0.33 -1.22 0.15 0.42 0.00 0.00 0.00 175.30 174.98 2eh0 s ILE 101 N 2.40 5.19 -0.18 4.11 1.01 -0.59 -2.29 121.20 130.86 2eh0 s ILE 101 Ca 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 2eh0 s ILE 101 Cb -0.21 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.84 2eh0 s ILE 101 CO 0.10 0.34 -0.13 -0.63 0.00 0.00 0.00 174.94 174.61 2eh0 s ILE 102 N 1.18 2.72 0.06 2.92 1.01 0.66 0.05 121.20 129.79 2eh0 s ILE 102 Ca 0.07 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.04 2eh0 s ILE 102 Cb -0.14 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2eh0 s ILE 102 CO 0.05 0.50 -0.08 -0.04 0.00 0.00 0.00 174.94 175.37 2eh0 s MET 103 N 1.11 2.36 3.69 2.79 -1.94 0.73 -1.76 119.30 126.28 2eh0 s MET 103 Ca 0.00 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 2eh0 s MET 103 Cb -0.14 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.28 2eh0 s MET 103 CO -0.04 0.55 0.00 0.41 -0.01 0.00 0.00 175.02 175.93 2eh0 n GLY 104 N 1.09 0.87 1.56 -0.03 0.00 -0.84 -2.04 105.19 105.80 2eh0 n GLY 104 Ca -0.14 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2eh0 n GLY 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eh0 n LYS 105 N 0.00 0.00 -1.00 1.61 4.81 -1.26 -4.88 118.16 117.44 2eh0 n LYS 105 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 2eh0 n LYS 105 Cb 0.00 -0.15 0.18 0.00 0.02 0.00 0.00 35.03 35.07 2eh0 n LYS 105 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2eh0 n ASN 106 N -3.17 3.14 -3.61 3.14 4.13 -1.26 -4.78 115.26 112.86 2eh0 n ASN 106 Ca 0.00 -3.77 -0.36 0.00 1.68 0.00 0.00 54.58 52.14 2eh0 n ASN 106 Cb 0.00 -0.68 -0.02 0.00 -1.54 0.00 0.00 39.78 37.54 2eh0 n ASN 106 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2eh0 n HIS 107 N -1.09 3.00 -2.82 3.10 8.25 -0.86 -4.79 115.22 120.00 2eh0 n HIS 107 Ca 0.41 -3.21 -0.31 0.00 -0.26 0.00 0.00 57.72 54.34 2eh0 n HIS 107 Cb 1.13 -0.94 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 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 -3.30 4.69 -0.07 1.59 1.01 -1.26 -0.20 120.40 122.86 2eh0 s VAL 108 Ca 0.38 0.86 -0.24 0.00 0.00 0.00 0.00 61.98 62.97 2eh0 s VAL 108 Cb 0.14 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.88 2eh0 s VAL 108 CO -0.01 -0.47 0.56 -0.36 0.00 0.00 0.00 175.10 174.82 2eh0 s PHE 109 N -2.33 -0.52 -0.21 5.22 0.08 0.11 -4.34 117.98 115.98 2eh0 s PHE 109 Ca 0.54 0.98 -0.00 0.00 0.12 0.00 0.00 56.93 58.57 2eh0 s PHE 109 Cb -0.10 0.29 0.02 0.00 -0.57 0.00 0.00 43.02 42.66 2eh0 s PHE 109 CO 0.27 -0.49 -0.13 0.50 -0.10 0.00 0.00 175.22 175.28 2eh0 s ARG 110 N -0.93 2.94 -0.15 0.44 3.52 -0.41 -1.53 118.95 122.82 2eh0 s ARG 110 Ca -0.10 -0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 54.32 2eh0 s ARG 110 Cb -0.02 -2.79 -0.00 0.00 -1.56 0.00 0.00 34.95 30.57 2eh0 s ARG 110 CO 0.07 -0.30 1.04 0.12 -0.81 0.00 0.00 175.30 175.42 2eh0 s PHE 111 N 1.31 3.41 -0.06 5.12 2.19 -1.24 -1.34 117.98 127.36 2eh0 s PHE 111 Ca 0.02 1.51 0.01 0.00 0.33 0.00 0.00 56.93 58.80 2eh0 s PHE 111 Cb -0.15 -3.24 -0.03 0.00 -1.31 0.00 0.00 43.02 38.29 2eh0 s PHE 111 CO -0.08 -0.43 -0.06 -0.80 1.83 0.00 0.00 175.22 175.68 2eh0 s ASN 112 N 1.19 4.73 -0.42 6.13 -0.87 -0.38 -0.42 114.94 124.91 2eh0 s ASN 112 Ca 0.47 -0.01 0.04 0.00 -1.57 0.00 0.00 52.86 51.79 2eh0 s ASN 112 Cb -0.17 -1.20 0.17 0.00 -0.02 0.00 0.00 41.25 40.02 2eh0 s ASN 112 CO 0.13 0.36 0.34 -2.28 -2.57 0.00 0.00 177.10 173.08 2eh0 s HIS 113 N -0.84 1.14 0.13 2.20 2.46 -1.26 -2.85 115.29 116.27 2eh0 s HIS 113 Ca 0.13 -2.32 0.34 0.00 0.47 0.00 0.00 55.06 53.68 2eh0 s HIS 113 Cb -0.11 -0.97 1.41 0.00 -0.13 0.00 0.00 32.58 32.78 2eh0 s HIS 113 CO 0.02 -0.82 2.00 -1.00 -2.47 0.00 0.00 174.74 172.47 2eh0 h PRO 114 N 5.70 0.00 0.33 2.88 0.13 -1.92 -1.85 132.00 137.27 2eh0 h PRO 114 Ca 0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.37 2eh0 h PRO 114 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2eh0 h PRO 114 CO 0.38 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 178.92 2eh0 h GLU 115 N 0.00 -0.42 0.08 0.86 5.08 -1.86 -2.70 114.58 115.62 2eh0 h GLU 115 Ca -0.00 0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 2eh0 h GLU 115 Cb 0.49 0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.86 2eh0 h GLU 115 CO 0.00 -0.16 -0.75 0.37 -1.00 0.00 0.00 179.01 177.47 2eh0 h GLN 116 N -0.64 0.37 -0.40 2.33 5.75 -1.93 -3.23 115.11 117.36 2eh0 h GLN 116 Ca -0.04 -0.50 0.12 0.00 -0.15 0.00 0.00 58.65 58.07 2eh0 h GLN 116 Cb 0.46 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 2eh0 h GLN 116 CO 0.07 1.19 0.58 0.00 -2.65 0.00 0.00 178.83 178.03 2eh0 h ALA 117 N 0.20 2.08 -0.41 3.38 0.00 -1.42 0.38 119.26 123.48 2eh0 h ALA 117 Ca -0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2eh0 h ALA 117 Cb 1.52 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2eh0 h ALA 117 CO 0.14 -0.79 -0.11 0.07 0.00 0.00 0.00 179.25 178.57 2eh0 h ARG 118 N 0.00 0.72 -0.78 0.00 0.11 -1.49 -3.11 114.38 109.83 2eh0 h ARG 118 Ca 0.19 -0.23 0.15 0.00 0.10 0.00 0.00 59.98 60.18 2eh0 h ARG 118 Cb 1.35 -0.06 -0.15 0.00 1.11 0.00 0.00 29.97 32.22 2eh0 h ARG 118 CO -0.00 0.81 -0.25 0.00 0.10 0.00 0.00 179.97 180.63 2eh0 h ALA 119 N 1.22 0.38 -0.56 0.08 0.00 -0.39 0.26 119.26 120.24 2eh0 h ALA 119 Ca 0.11 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2eh0 h ALA 119 Cb 0.57 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2eh0 h ALA 119 CO 0.04 -0.48 0.26 0.93 0.00 0.00 0.00 179.25 179.99 2eh0 h GLU 120 N -0.03 0.82 0.18 0.00 3.07 -1.69 -1.30 114.58 115.62 2eh0 h GLU 120 Ca 0.35 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2eh0 h GLU 120 Cb 0.58 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2eh0 h GLU 120 CO -0.81 0.68 -0.17 0.00 -1.40 0.00 0.00 179.01 177.31 2eh0 h ARG 121 N 0.76 -0.37 -0.48 2.33 2.47 -0.65 -2.83 114.38 115.62 2eh0 h ARG 121 Ca 0.19 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.96 2eh0 h ARG 121 Cb 0.14 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2eh0 h ARG 121 CO -0.02 -0.24 0.27 0.93 0.56 0.00 0.00 179.97 181.47 2eh0 h GLU 122 N -0.38 0.53 -6.24 0.04 4.39 -0.62 -3.43 114.58 108.86 2eh0 h GLU 122 Ca 0.00 -0.03 -0.63 0.00 0.34 0.00 0.00 59.36 59.04 2eh0 h GLU 122 Cb 0.36 -0.12 0.12 0.00 -0.10 0.00 0.00 28.75 29.01 2eh0 h GLU 122 CO -0.04 0.35 -0.31 1.17 -1.16 0.00 0.00 179.01 179.03 2eh0 n LYS 123 N -4.84 0.60 -0.07 2.33 4.81 -0.50 -4.93 118.16 115.56 2eh0 n LYS 123 Ca 0.03 0.21 -0.10 0.00 -0.87 0.00 0.00 58.31 57.59 2eh0 n LYS 123 Cb 0.08 -1.41 -0.07 0.00 0.02 0.00 0.00 35.03 33.65 2eh0 n LYS 123 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2eh0 h THR 124 N 1.23 0.82 -0.61 3.15 2.02 -1.84 -3.36 112.91 114.31 2eh0 h THR 124 Ca -0.36 -1.70 -0.35 0.00 0.77 0.00 0.00 66.41 64.77 2eh0 h THR 124 Cb 1.40 1.64 -0.13 0.00 -1.74 0.00 0.00 68.15 69.32 2eh0 h THR 124 CO 0.56 0.28 0.21 -1.20 0.37 0.00 0.00 175.52 175.74 2eh0 n SER 125 N -4.63 6.14 0.00 4.18 7.64 -1.26 -4.58 113.62 121.10 2eh0 n SER 125 Ca -0.10 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.81 2eh0 n SER 125 Cb 0.33 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2eh0 n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eh0 n GLY 126 N 1.11 0.92 3.39 0.23 0.00 -1.26 -4.67 105.19 104.91 2eh0 n GLY 126 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 2eh0 n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eh0 n PRO 127 N -0.71 1.51 -4.11 1.61 -0.04 -1.26 -4.85 135.00 127.15 2eh0 n PRO 127 Ca 0.00 -2.18 -0.10 0.00 -0.04 0.00 0.00 63.50 61.18 2eh0 n PRO 127 Cb 0.00 -3.38 -0.09 0.00 -0.04 0.00 0.00 33.50 29.99 2eh0 n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eh0 s SER 128 N 5.91 0.19 0.15 3.54 0.15 -1.26 -5.18 113.70 117.19 2eh0 s SER 128 Ca 0.64 -1.17 -0.25 0.00 0.70 0.00 0.00 55.95 55.88 2eh0 s SER 128 Cb 0.06 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 2eh0 s SER 128 CO 0.14 -0.82 0.82 -0.94 1.20 0.00 0.00 173.24 173.64 2eh0 s SER 129 N -3.06 -0.31 0.00 5.45 1.04 -1.26 -5.20 113.70 110.35 2eh0 s SER 129 Ca 0.26 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2eh0 s SER 129 Cb 0.06 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2eh0 s SER 129 CO 0.04 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.92