#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e4p s PHE 3 N 0.00 3.69 -0.03 -1.42 0.40 -1.26 -4.35 117.98 115.01 2e4p s PHE 3 Ca 0.00 1.43 0.07 0.00 -0.60 0.00 0.00 56.93 57.84 2e4p s PHE 3 Cb 0.00 -2.84 -0.02 0.00 0.51 0.00 0.00 43.02 40.67 2e4p s PHE 3 CO 0.00 0.20 -0.25 0.99 0.70 0.00 0.00 175.22 176.86 2e4p s THR 4 N 0.28 1.99 0.01 0.64 2.01 0.77 -4.77 115.64 116.55 2e4p s THR 4 Ca 0.40 -1.07 -0.34 0.00 0.31 0.00 0.00 61.69 60.99 2e4p s THR 4 Cb -0.20 -1.65 -0.12 0.00 0.01 0.00 0.00 72.50 70.54 2e4p s THR 4 CO 0.22 0.56 1.80 1.17 -0.69 0.00 0.00 174.62 177.68 2e4p n LYS 5 N 2.56 2.28 -0.11 4.92 0.00 -1.26 -0.63 118.16 125.92 2e4p n LYS 5 Ca -0.16 0.83 -0.18 0.00 0.00 0.00 0.00 58.31 58.79 2e4p n LYS 5 Cb 0.51 -2.67 -0.09 0.00 0.00 0.00 0.00 35.03 32.79 2e4p n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e4p n ALA 6 N 5.73 1.56 -3.74 3.14 0.00 0.33 -4.89 120.51 122.64 2e4p n ALA 6 Ca 0.20 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.74 2e4p n ALA 6 Cb 0.31 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 2e4p n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e4p s SER 8 N -3.00 6.55 0.26 0.00 0.15 -1.26 -1.83 113.70 114.56 2e4p s SER 8 Ca 0.14 1.27 -0.04 0.00 0.70 0.00 0.00 55.95 58.02 2e4p s SER 8 Cb -0.00 -2.38 0.35 0.00 -1.71 0.00 0.00 66.02 62.28 2e4p s SER 8 CO 0.01 -0.46 1.90 0.58 1.20 0.00 0.00 173.24 176.47 2e4p h VAL 9 N 1.02 1.15 0.00 4.45 2.07 -1.53 -2.39 116.25 121.03 2e4p h VAL 9 Ca -0.47 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2e4p h VAL 9 Cb 1.19 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2e4p h VAL 9 CO 0.63 0.23 0.00 0.47 0.02 0.00 0.00 177.57 178.92 2e4p n ASP 10 N -4.45 0.00 0.08 0.57 9.92 -1.26 -1.94 116.55 119.47 2e4p n ASP 10 Ca 0.14 -1.14 0.12 0.00 -0.53 0.00 0.00 54.79 53.38 2e4p n ASP 10 Cb 0.12 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.66 2e4p n ASP 10 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2e4p h GLU 11 N 0.00 0.00 -3.38 -1.24 5.08 -1.82 -3.42 114.58 109.79 2e4p h GLU 11 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2e4p h GLU 11 Cb 0.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.85 2e4p h GLU 11 CO 0.00 0.00 -0.70 0.08 -1.00 0.00 0.00 179.01 177.39 2e4p s VAL 12 N -3.28 1.84 0.86 3.13 1.01 -0.82 -4.90 120.40 118.24 2e4p s VAL 12 Ca 0.02 -2.66 -0.10 0.00 0.00 0.00 0.00 61.98 59.24 2e4p s VAL 12 Cb 0.11 -2.30 0.11 0.00 0.00 0.00 0.00 36.38 34.30 2e4p s VAL 12 CO 0.77 -0.80 1.13 -2.84 0.00 0.00 0.00 175.10 173.35 2e4p s PRO 13 N 0.34 1.51 0.20 2.72 0.02 -1.26 -4.75 135.00 133.78 2e4p s PRO 13 Ca 0.16 1.40 -0.33 0.00 0.02 0.00 0.00 61.00 62.26 2e4p s PRO 13 Cb -0.24 -1.79 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 2e4p s PRO 13 CO -0.03 -2.24 1.50 -2.30 -0.33 0.00 0.00 177.00 173.59 2e4p n PRO 14 N -3.95 2.10 -0.84 5.54 -0.02 -1.26 -1.74 135.00 134.83 2e4p n PRO 14 Ca 0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2e4p n PRO 14 Cb 0.52 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2e4p n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2e4p n GLY 15 N 2.79 0.63 3.58 -1.23 0.00 0.64 -4.95 105.19 106.66 2e4p n GLY 15 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2e4p n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e4p s GLU 16 N -0.16 1.94 0.13 1.61 0.41 -0.71 -4.56 118.70 117.36 2e4p s GLU 16 Ca 0.00 -1.85 0.08 0.00 -0.41 0.00 0.00 54.97 52.78 2e4p s GLU 16 Cb 0.00 -1.81 -0.04 0.00 -1.78 0.00 0.00 34.13 30.51 2e4p s GLU 16 CO 0.00 0.14 -0.18 0.00 -0.49 0.00 0.00 175.26 174.73 2e4p s ALA 17 N -2.57 1.78 -0.03 5.21 0.00 -1.26 -2.32 121.76 122.57 2e4p s ALA 17 Ca 0.34 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2e4p s ALA 17 Cb 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2e4p s ALA 17 CO 0.18 0.24 -0.03 -1.17 0.00 0.00 0.00 175.76 174.97 2e4p s LEU 18 N -2.35 1.37 -0.05 0.00 2.96 -0.10 -4.95 118.68 115.56 2e4p s LEU 18 Ca 0.10 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.63 2e4p s LEU 18 Cb -0.07 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 2e4p s LEU 18 CO 0.05 -0.05 1.04 -1.58 -1.32 0.00 0.00 176.35 174.48 2e4p s GLN 19 N 0.80 4.46 0.08 1.98 0.74 -1.26 -0.55 119.66 125.91 2e4p s GLN 19 Ca -0.10 1.46 0.10 0.00 0.05 0.00 0.00 55.36 56.88 2e4p s GLN 19 Cb -0.13 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 2e4p s GLN 19 CO -0.00 -0.24 -0.26 0.14 -0.55 0.00 0.00 175.29 174.37 2e4p s VAL 20 N 1.63 2.20 -0.18 1.34 -7.23 0.56 -4.99 120.40 113.74 2e4p s VAL 20 Ca 0.51 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 59.16 2e4p s VAL 20 Cb -0.21 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2e4p s VAL 20 CO 0.23 0.26 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.70 2e4p s SER 21 N -1.55 3.64 -0.05 4.85 0.01 -1.26 -0.90 113.70 118.44 2e4p s SER 21 Ca 0.13 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 56.66 2e4p s SER 21 Cb -0.10 -1.58 0.04 0.00 0.21 0.00 0.00 66.02 64.59 2e4p s SER 21 CO 0.04 0.03 0.47 -2.28 0.41 0.00 0.00 173.24 171.90 2e4p s HIS 22 N 1.16 -0.40 0.00 2.43 2.46 -0.94 -5.02 115.29 114.98 2e4p s HIS 22 Ca 0.01 0.71 0.00 0.00 0.47 0.00 0.00 55.06 56.25 2e4p s HIS 22 Cb -0.14 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.53 2e4p s HIS 22 CO -0.05 -0.46 0.00 -3.47 -2.47 0.00 0.00 174.74 168.29 2e4p n ASP 23 N 1.32 0.00 -1.60 9.88 -0.08 -1.26 -1.31 116.55 123.50 2e4p n ASP 23 Ca -0.20 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.93 2e4p n ASP 23 Cb 0.56 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.13 2e4p n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e4p n ALA 24 N 9.69 4.79 -2.44 -1.67 0.00 -1.26 -5.03 120.51 124.59 2e4p n ALA 24 Ca 0.00 -3.49 -0.27 0.00 0.00 0.00 0.00 53.44 49.67 2e4p n ALA 24 Cb 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 2e4p n ALA 24 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2e4p s GLN 25 N -3.48 1.49 -0.24 0.00 -1.52 -0.43 -5.12 119.66 110.36 2e4p s GLN 25 Ca 0.49 -1.05 -0.08 0.00 -1.95 0.00 0.00 55.36 52.78 2e4p s GLN 25 Cb 0.42 -1.67 -0.03 0.00 -0.22 0.00 0.00 33.01 31.50 2e4p s GLN 25 CO 0.00 0.42 0.08 0.15 -0.25 0.00 0.00 175.29 175.70 2e4p s LYS 26 N -1.34 3.73 0.05 2.91 -0.14 -1.26 -2.21 119.74 121.48 2e4p s LYS 26 Ca 0.09 -0.44 0.09 0.00 -1.36 0.00 0.00 55.97 54.35 2e4p s LYS 26 Cb -0.09 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.68 2e4p s LYS 26 CO 0.02 -0.13 -0.25 0.08 -0.76 0.00 0.00 175.35 174.31 2e4p s VAL 27 N 1.48 2.07 -0.20 3.17 1.01 -0.08 -1.11 120.40 126.74 2e4p s VAL 27 Ca 0.06 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 2e4p s VAL 27 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2e4p s VAL 27 CO 0.04 0.32 0.02 0.00 0.00 0.00 0.00 175.10 175.48 2e4p s ALA 28 N -0.82 3.11 -0.21 5.51 0.00 0.96 -0.33 121.76 129.99 2e4p s ALA 28 Ca 0.11 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 2e4p s ALA 28 Cb -0.10 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 2e4p s ALA 28 CO 0.02 -0.12 0.12 0.42 0.00 0.00 0.00 175.76 176.20 2e4p s ILE 29 N 0.94 5.18 -0.08 0.00 -1.09 0.29 -1.25 121.20 125.20 2e4p s ILE 29 Ca 0.02 0.11 0.04 0.00 -2.23 0.00 0.00 60.65 58.59 2e4p s ILE 29 Cb -0.14 -3.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2e4p s ILE 29 CO 0.02 0.41 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.57 2e4p s PHE 30 N 0.65 2.56 -0.54 3.97 0.40 0.44 -0.92 117.98 124.54 2e4p s PHE 30 Ca 0.06 -0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 55.55 2e4p s PHE 30 Cb -0.12 -1.67 0.13 0.00 0.51 0.00 0.00 43.02 41.87 2e4p s PHE 30 CO 0.01 -0.20 0.49 1.21 0.70 0.00 0.00 175.22 177.44 2e4p s ASN 31 N -0.06 6.16 -0.83 1.36 3.84 -0.98 -1.27 114.94 123.16 2e4p s ASN 31 Ca -0.06 -1.84 -0.16 0.00 0.21 0.00 0.00 52.86 51.01 2e4p s ASN 31 Cb -0.14 -2.19 0.18 0.00 -0.55 0.00 0.00 41.25 38.55 2e4p s ASN 31 CO 0.05 -0.83 0.86 -0.69 -2.79 0.00 0.00 177.10 173.70 2e4p s VAL 32 N 1.52 5.27 -1.41 -5.21 1.01 0.57 -0.26 120.40 121.88 2e4p s VAL 32 Ca 0.04 -2.04 -0.02 0.00 0.00 0.00 0.00 61.98 59.96 2e4p s VAL 32 Cb -0.29 -4.56 0.01 0.00 0.00 0.00 0.00 36.38 31.54 2e4p s VAL 32 CO 0.02 -1.18 0.51 -0.67 0.00 0.00 0.00 175.10 173.78 2e4p n ASP 33 N 5.00 -0.81 0.00 3.32 2.03 -1.26 -1.49 116.55 123.33 2e4p n ASP 33 Ca 0.14 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.48 2e4p n ASP 33 Cb 0.47 -3.23 0.00 0.00 -0.72 0.00 0.00 41.12 37.64 2e4p n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e4p n GLY 34 N -1.87 0.84 3.52 0.27 0.00 -1.26 -5.03 105.19 101.66 2e4p n GLY 34 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2e4p n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e4p s GLU 35 N -0.20 3.60 -0.01 1.61 2.12 -0.56 -5.11 118.70 120.16 2e4p s GLU 35 Ca 0.00 -0.51 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 2e4p s GLU 35 Cb 0.00 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 2e4p s GLU 35 CO 0.00 0.29 0.20 -0.06 -0.54 0.00 0.00 175.26 175.15 2e4p s PHE 36 N 0.23 3.56 0.01 5.30 0.40 -1.26 -0.32 117.98 125.90 2e4p s PHE 36 Ca -0.02 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.71 2e4p s PHE 36 Cb -0.14 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 2e4p s PHE 36 CO 0.03 0.64 -0.02 -0.06 0.70 0.00 0.00 175.22 176.51 2e4p s PHE 37 N -1.32 0.17 -0.09 0.36 0.40 -0.40 -4.96 117.98 112.14 2e4p s PHE 37 Ca 0.27 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 2e4p s PHE 37 Cb -0.13 -0.12 0.00 0.00 0.51 0.00 0.00 43.02 43.29 2e4p s PHE 37 CO 0.18 -0.08 -0.23 0.00 0.70 0.00 0.00 175.22 175.80 2e4p s ALA 38 N -0.64 2.05 0.27 5.36 0.00 -1.26 -0.42 121.76 127.13 2e4p s ALA 38 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.02 2e4p s ALA 38 Cb -0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 2e4p s ALA 38 CO -0.00 0.27 0.05 0.95 0.00 0.00 0.00 175.76 177.03 2e4p s THR 39 N 0.37 0.94 0.50 0.00 -4.23 -0.38 -1.02 115.64 111.81 2e4p s THR 39 Ca -0.18 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.09 2e4p s THR 39 Cb -0.18 -2.60 -0.08 0.00 1.34 0.00 0.00 72.50 70.99 2e4p s THR 39 CO 0.08 -0.11 1.14 0.00 -0.54 0.00 0.00 174.62 175.20 2e4p n GLN 40 N -0.53 1.46 0.08 3.99 10.64 -0.12 -0.02 117.38 132.89 2e4p n GLN 40 Ca -0.02 0.53 -0.10 0.00 -1.83 0.00 0.00 57.00 55.58 2e4p n GLN 40 Cb 0.66 -2.28 -0.08 0.00 -0.86 0.00 0.00 30.24 27.67 2e4p n GLN 40 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2e4p h ASP 41 N 1.38 0.21 -3.45 2.61 3.58 -1.37 -3.38 116.42 116.00 2e4p h ASP 41 Ca -0.48 -0.21 -0.54 0.00 0.42 0.00 0.00 57.03 56.23 2e4p h ASP 41 Cb 1.33 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 42.27 2e4p h ASP 41 CO 0.56 1.10 0.19 -1.58 -2.88 0.00 0.00 179.24 176.63 2e4p s GLN 42 N -2.88 4.53 0.50 0.28 0.74 -1.26 0.13 119.66 121.70 2e4p s GLN 42 Ca -0.02 1.12 -0.22 0.00 0.05 0.00 0.00 55.36 56.29 2e4p s GLN 42 Cb 0.09 -3.36 -0.07 0.00 1.10 0.00 0.00 33.01 30.77 2e4p s GLN 42 CO 0.84 0.30 1.13 0.00 -0.55 0.00 0.00 175.29 177.00 2e4p h THR 44 N 1.32 0.00 0.00 0.00 1.35 -1.90 -3.31 112.91 110.36 2e4p h THR 44 Ca -0.48 -0.46 -0.22 0.00 -0.55 0.00 0.00 66.41 64.71 2e4p h THR 44 Cb 1.33 1.38 -0.04 0.00 -1.73 0.00 0.00 68.15 69.09 2e4p h THR 44 CO 0.56 0.00 -1.49 -0.74 -0.25 0.00 0.00 175.52 173.59 2e4p h HIS 45 N 0.00 0.00 -3.30 4.73 -0.00 -1.90 -3.47 115.15 111.20 2e4p h HIS 45 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 2e4p h HIS 45 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.02 2e4p h HIS 45 CO 0.00 0.77 0.13 0.20 -0.00 0.00 0.00 177.93 179.02 2e4p s GLY 46 N -4.91 0.53 -1.27 5.26 0.00 -1.25 -5.05 107.32 100.64 2e4p s GLY 46 Ca -0.03 -0.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.66 2e4p s GLY 46 CO 0.82 -0.45 1.93 -2.21 0.00 0.00 0.00 173.10 173.19 2e4p n GLU 47 N -0.51 2.65 -3.80 2.90 2.13 -1.26 -4.05 120.64 118.70 2e4p n GLU 47 Ca -0.05 -2.79 -0.13 0.00 0.66 0.00 0.00 57.16 54.85 2e4p n GLU 47 Cb 0.60 -3.41 -0.12 0.00 0.27 0.00 0.00 31.44 28.78 2e4p n GLU 47 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 2e4p s TRP 48 N 5.11 -0.22 0.01 4.31 -0.11 -1.26 -5.02 118.94 121.76 2e4p s TRP 48 Ca 0.55 0.53 -0.26 0.00 1.22 0.00 0.00 56.10 58.14 2e4p s TRP 48 Cb 0.07 0.07 -0.04 0.00 -1.50 0.00 0.00 33.47 32.07 2e4p s TRP 48 CO 0.05 -0.11 0.81 0.45 -4.62 0.00 0.00 176.95 173.53 2e4p s SER 49 N 0.11 7.20 0.25 5.86 0.15 -1.26 -0.01 113.70 126.01 2e4p s SER 49 Ca -0.00 1.45 0.13 0.00 0.70 0.00 0.00 55.95 58.23 2e4p s SER 49 Cb -0.01 -2.48 0.09 0.00 -1.71 0.00 0.00 66.02 61.91 2e4p s SER 49 CO 0.00 -0.09 1.45 -0.07 1.20 0.00 0.00 173.24 175.74 2e4p h LEU 50 N 6.21 0.00 0.17 3.45 3.38 -0.61 0.16 115.31 128.07 2e4p h LEU 50 Ca -0.42 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.21 2e4p h LEU 50 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 2e4p h LEU 50 CO 0.73 0.61 -1.64 0.77 0.09 0.00 0.00 178.44 179.01 2e4p h SER 51 N 0.00 0.55 0.46 -0.43 4.64 -1.91 -2.89 113.55 113.97 2e4p h SER 51 Ca -0.01 -0.77 -0.30 0.00 -0.47 0.00 0.00 61.79 60.25 2e4p h SER 51 Cb 1.40 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 2e4p h SER 51 CO 0.08 1.64 -1.72 -0.33 -0.87 0.00 0.00 176.83 175.63 2e4p h GLU 52 N 0.10 0.03 -0.34 4.77 4.39 -1.93 -3.39 114.58 118.21 2e4p h GLU 52 Ca -0.29 -0.05 -0.26 0.00 0.34 0.00 0.00 59.36 59.10 2e4p h GLU 52 Cb 2.07 0.02 -0.23 0.00 -0.10 0.00 0.00 28.75 30.52 2e4p h GLU 52 CO 0.18 0.58 -0.70 0.41 -1.16 0.00 0.00 179.01 178.32 2e4p n GLY 53 N 1.60 5.25 3.42 -3.84 0.00 0.56 -5.01 105.19 107.15 2e4p n GLY 53 Ca -0.18 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 2e4p n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e4p s GLY 54 N -3.35 2.21 -0.03 -0.02 0.00 -1.09 -0.90 107.32 104.14 2e4p s GLY 54 Ca 0.43 -1.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 2e4p s GLY 54 CO -0.03 -1.71 0.06 -0.19 0.00 0.00 0.00 173.10 171.23 2e4p s TYR 55 N -3.43 -0.03 -0.30 1.90 2.02 -0.42 -4.91 117.35 112.19 2e4p s TYR 55 Ca 0.32 0.21 -0.13 0.00 -0.37 0.00 0.00 57.07 57.10 2e4p s TYR 55 Cb 0.05 -0.15 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 2e4p s TYR 55 CO 0.16 -0.10 0.27 -1.17 -1.57 0.00 0.00 175.55 173.14 2e4p s LEU 56 N 0.90 4.16 -0.47 -1.29 2.96 -1.26 0.44 118.68 124.11 2e4p s LEU 56 Ca -0.07 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2e4p s LEU 56 Cb -0.10 -2.23 0.13 0.00 0.50 0.00 0.00 46.19 44.49 2e4p s LEU 56 CO -0.03 -0.15 0.25 -0.62 -1.32 0.00 0.00 176.35 174.48 2e4p s ASP 57 N 1.72 5.03 1.60 3.68 2.15 0.72 -4.92 116.67 126.64 2e4p s ASP 57 Ca 0.09 -2.43 0.00 0.00 0.43 0.00 0.00 52.55 50.64 2e4p s ASP 57 Cb -0.16 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 2e4p s ASP 57 CO 0.11 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 2e4p n GLY 58 N 4.00 2.87 1.21 2.66 0.00 -1.26 -2.04 105.19 112.63 2e4p n GLY 58 Ca 0.03 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2e4p n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2e4p n ASP 59 N 9.70 4.40 -4.15 1.61 5.75 -1.26 -4.77 116.55 127.83 2e4p n ASP 59 Ca 0.00 -2.87 -0.33 0.00 -0.01 0.00 0.00 54.79 51.59 2e4p n ASP 59 Cb 0.00 -0.56 -0.16 0.00 -1.03 0.00 0.00 41.12 39.36 2e4p n ASP 59 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2e4p s VAL 60 N -2.59 2.04 -0.09 2.12 1.01 -0.87 -1.03 120.40 121.01 2e4p s VAL 60 Ca 0.45 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 2e4p s VAL 60 Cb 0.34 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2e4p s VAL 60 CO 0.13 0.54 0.38 0.54 0.00 0.00 0.00 175.10 176.69 2e4p s VAL 61 N 1.02 5.19 -0.21 2.92 0.11 -0.13 -0.20 120.40 129.10 2e4p s VAL 61 Ca -0.02 0.74 -0.09 0.00 -2.93 0.00 0.00 61.98 59.69 2e4p s VAL 61 Cb -0.14 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 2e4p s VAL 61 CO -0.07 0.45 0.10 -0.70 -3.33 0.00 0.00 175.10 171.56 2e4p s GLU 62 N -0.12 4.01 -0.11 1.54 2.12 0.17 -1.34 118.70 124.98 2e4p s GLU 62 Ca 0.22 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 2e4p s GLU 62 Cb -0.15 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2e4p s GLU 62 CO 0.09 0.18 1.06 0.00 -0.54 0.00 0.00 175.26 176.05 2e4p n SER 64 N 5.22 0.00 -0.07 0.00 3.41 -0.08 -0.54 113.62 121.56 2e4p n SER 64 Ca 0.10 -0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 2e4p n SER 64 Cb 0.48 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 2e4p n SER 64 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2e4p h LEU 65 N 0.00 0.00 -2.73 1.04 5.85 -1.93 -3.40 115.31 114.15 2e4p h LEU 65 Ca 0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 2e4p h LEU 65 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2e4p h LEU 65 CO 0.00 0.97 -0.00 1.41 -0.34 0.00 0.00 178.44 180.47 2e4p n HIS 66 N -4.62 0.00 -1.39 1.25 8.25 -1.25 -5.01 115.22 112.46 2e4p n HIS 66 Ca -0.10 -0.45 -0.13 0.00 -0.26 0.00 0.00 57.72 56.77 2e4p n HIS 66 Cb 0.43 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 2e4p n HIS 66 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2e4p n MET 67 N -0.47 -1.02 -1.82 -0.41 2.81 0.30 -4.56 117.12 111.95 2e4p n MET 67 Ca 0.01 0.96 -0.37 0.00 -1.81 0.00 0.00 57.70 56.49 2e4p n MET 67 Cb 0.30 -5.07 0.05 0.00 -0.71 0.00 0.00 33.22 27.80 2e4p n MET 67 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2e4p s GLY 68 N -2.79 2.85 0.04 3.03 0.00 -1.24 -4.71 107.32 104.49 2e4p s GLY 68 Ca 0.00 1.21 0.04 0.00 0.00 0.00 0.00 44.72 45.97 2e4p s GLY 68 CO 0.00 1.66 -0.13 0.54 0.00 0.00 0.00 173.10 175.17 2e4p s LYS 69 N -3.20 0.85 -0.00 2.90 1.02 -0.84 -0.40 119.74 120.07 2e4p s LYS 69 Ca 0.78 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 56.05 2e4p s LYS 69 Cb -0.37 -0.83 -0.01 0.00 -0.52 0.00 0.00 37.83 36.10 2e4p s LYS 69 CO 0.41 0.20 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.92 2e4p s PHE 70 N -0.89 0.60 -0.03 3.18 0.40 -0.45 -0.07 117.98 120.72 2e4p s PHE 70 Ca 0.00 -0.12 -0.30 0.00 -0.60 0.00 0.00 56.93 55.92 2e4p s PHE 70 Cb -0.08 -0.38 -0.05 0.00 0.51 0.00 0.00 43.02 43.02 2e4p s PHE 70 CO 0.01 -0.01 1.43 0.00 0.70 0.00 0.00 175.22 177.35 2e4p h VAL 72 N 5.12 0.00 0.14 0.00 -1.51 -1.41 0.32 116.25 118.92 2e4p h VAL 72 Ca -0.36 -0.49 -0.20 0.00 -1.23 0.00 0.00 66.70 64.41 2e4p h VAL 72 Cb 1.17 1.43 0.02 0.00 -2.13 0.00 0.00 31.29 31.78 2e4p h VAL 72 CO 0.92 0.00 -0.86 0.03 -1.23 0.00 0.00 177.57 176.43 2e4p h ARG 73 N 0.00 0.33 0.00 5.19 3.08 -1.92 -3.40 114.38 117.66 2e4p h ARG 73 Ca 0.00 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2e4p h ARG 73 Cb 0.68 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2e4p h ARG 73 CO 0.00 1.25 -1.19 0.25 -1.07 0.00 0.00 179.97 179.21 2e4p n THR 74 N -4.09 0.00 -0.63 2.04 -2.24 -1.24 -5.00 114.28 103.12 2e4p n THR 74 Ca -0.14 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2e4p n THR 74 Cb 0.84 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 2e4p n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e4p n GLY 75 N 1.73 1.24 3.77 3.38 0.00 0.11 -4.24 105.19 111.17 2e4p n GLY 75 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2e4p n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2e4p s LYS 76 N -0.20 4.27 0.05 1.61 2.20 -1.23 -0.22 119.74 126.23 2e4p s LYS 76 Ca 0.00 2.33 -0.31 0.00 -0.36 0.00 0.00 55.97 57.64 2e4p s LYS 76 Cb 0.00 -3.05 -0.07 0.00 -1.51 0.00 0.00 37.83 33.20 2e4p s LYS 76 CO 0.00 -0.32 1.56 0.08 -0.36 0.00 0.00 175.35 176.31 2e4p s VAL 77 N -0.96 3.25 -0.18 4.02 1.01 -1.26 -0.23 120.40 126.06 2e4p s VAL 77 Ca 0.52 0.70 0.11 0.00 0.00 0.00 0.00 61.98 63.31 2e4p s VAL 77 Cb -0.42 -3.45 -0.19 0.00 0.00 0.00 0.00 36.38 32.32 2e4p s VAL 77 CO 0.54 0.00 -0.01 0.29 0.00 0.00 0.00 175.10 175.92 2e4p n LYS 78 N 5.42 1.07 -3.88 2.72 4.76 0.91 -4.88 118.16 124.27 2e4p n LYS 78 Ca 0.15 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 2e4p n LYS 78 Cb 0.41 -1.43 -0.14 0.00 -1.84 0.00 0.00 35.03 32.03 2e4p n LYS 78 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2e4p s SER 79 N -5.34 0.06 1.15 4.39 0.01 -0.94 -4.91 113.70 108.13 2e4p s SER 79 Ca -0.14 -0.00 -0.14 0.00 1.31 0.00 0.00 55.95 56.98 2e4p s SER 79 Cb 0.06 -0.02 0.27 0.00 0.21 0.00 0.00 66.02 66.54 2e4p s SER 79 CO 0.63 -0.02 1.04 -2.84 0.41 0.00 0.00 173.24 172.46 2e4p s PRO 80 N 0.18 -0.82 0.43 12.44 0.02 -1.26 -1.99 135.00 143.99 2e4p s PRO 80 Ca -0.01 0.56 0.29 0.00 0.02 0.00 0.00 61.00 61.86 2e4p s PRO 80 Cb -0.02 -1.59 1.07 0.00 0.02 0.00 0.00 34.50 33.98 2e4p s PRO 80 CO -0.00 -3.58 1.84 -1.00 -0.33 0.00 0.00 177.00 173.92 2e4p h PRO 81 N -2.51 0.00 -7.26 5.54 0.13 -1.88 -3.32 132.00 122.70 2e4p h PRO 81 Ca -0.57 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.04 2e4p h PRO 81 Cb 1.33 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.66 2e4p h PRO 81 CO 0.50 0.00 0.20 -2.14 -0.23 0.00 0.00 178.00 176.33 2e4p s PRO 82 N -3.46 0.83 0.00 1.56 0.02 -1.26 -4.92 135.00 127.77 2e4p s PRO 82 Ca 0.04 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.56 2e4p s PRO 82 Cb 0.09 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.90 2e4p s PRO 82 CO 0.53 -2.74 0.08 0.00 -0.33 0.00 0.00 177.00 174.53 2e4p s GLU 84 N 0.00 3.00 0.61 0.00 0.41 -1.26 -5.00 118.70 116.47 2e4p s GLU 84 Ca 0.00 -0.63 -0.12 0.00 -0.41 0.00 0.00 54.97 53.81 2e4p s GLU 84 Cb 0.00 -2.58 -0.04 0.00 -1.78 0.00 0.00 34.13 29.73 2e4p s GLU 84 CO 0.00 0.46 1.03 -1.25 -0.49 0.00 0.00 175.26 175.00 2e4p s PRO 85 N -0.27 3.54 0.37 0.39 0.04 -1.26 -4.76 135.00 133.06 2e4p s PRO 85 Ca 0.03 0.84 -0.25 0.00 0.04 0.00 0.00 61.00 61.66 2e4p s PRO 85 Cb -0.13 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 2e4p s PRO 85 CO 0.03 -0.61 1.08 -0.51 0.04 0.00 0.00 177.00 177.03 2e4p s LEU 86 N -5.00 4.24 0.30 -3.56 1.43 0.69 -4.97 118.68 111.81 2e4p s LEU 86 Ca 0.57 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 55.52 2e4p s LEU 86 Cb -0.12 -4.03 -0.11 0.00 0.03 0.00 0.00 46.19 41.96 2e4p s LEU 86 CO 0.49 -0.46 1.56 -0.54 0.23 0.00 0.00 176.35 177.63 2e4p s LYS 87 N -2.23 4.14 0.09 1.70 1.02 -1.26 -4.52 119.74 118.67 2e4p s LYS 87 Ca 0.55 2.55 0.09 0.00 0.02 0.00 0.00 55.97 59.18 2e4p s LYS 87 Cb -0.26 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2e4p s LYS 87 CO 0.33 -0.59 -0.23 0.14 -0.92 0.00 0.00 175.35 174.08 2e4p s VAL 88 N -0.23 2.47 -0.01 3.17 -7.23 -0.10 -0.94 120.40 117.53 2e4p s VAL 88 Ca 0.61 -1.50 0.07 0.00 -1.81 0.00 0.00 61.98 59.35 2e4p s VAL 88 Cb -0.47 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 2e4p s VAL 88 CO 0.50 0.20 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.95 2e4p s TYR 89 N -0.99 2.13 0.51 2.82 1.51 -0.19 -0.54 117.35 122.60 2e4p s TYR 89 Ca 0.14 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.58 2e4p s TYR 89 Cb -0.10 -1.36 -0.06 0.00 -0.11 0.00 0.00 41.96 40.32 2e4p s TYR 89 CO 0.06 -0.02 1.36 -2.14 -1.11 0.00 0.00 175.55 173.69 2e4p s PRO 90 N -0.62 3.33 0.01 -1.71 0.02 -1.26 -4.26 135.00 130.50 2e4p s PRO 90 Ca 0.09 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.36 2e4p s PRO 90 Cb -0.09 -2.37 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 2e4p s PRO 90 CO -0.01 -1.04 -0.05 -1.50 -0.33 0.00 0.00 177.00 174.08 2e4p s ILE 91 N -1.30 0.36 -0.02 2.83 2.07 -1.26 -2.13 121.20 121.75 2e4p s ILE 91 Ca 0.68 -0.39 0.01 0.00 -1.41 0.00 0.00 60.65 59.54 2e4p s ILE 91 Cb -0.40 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 41.86 2e4p s ILE 91 CO 0.49 -0.03 -0.01 -0.60 -1.91 0.00 0.00 174.94 172.88 2e4p s ARG 92 N -0.45 0.25 -0.38 3.50 3.52 0.06 -5.01 118.95 120.44 2e4p s ARG 92 Ca -0.01 0.01 -0.14 0.00 -0.13 0.00 0.00 55.73 55.46 2e4p s ARG 92 Cb -0.04 -0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.00 2e4p s ARG 92 CO -0.00 -0.06 0.27 0.42 -0.81 0.00 0.00 175.30 175.12 2e4p s ILE 93 N 0.58 5.27 -0.31 4.11 1.01 -1.26 -0.30 121.20 130.30 2e4p s ILE 93 Ca -0.06 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2e4p s ILE 93 Cb -0.09 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.63 2e4p s ILE 93 CO -0.01 -0.17 0.00 -1.61 0.00 0.00 0.00 174.94 173.15 2e4p s GLU 94 N 1.70 2.00 7.70 2.79 2.02 -0.30 -4.99 118.70 129.62 2e4p s GLU 94 Ca 0.06 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.48 2e4p s GLU 94 Cb -0.18 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.91 2e4p s GLU 94 CO 0.10 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.03 2e4p n GLY 95 N 4.43 2.98 0.94 -1.39 0.00 -1.26 -1.44 105.19 109.44 2e4p n GLY 95 Ca -0.06 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.86 2e4p n GLY 95 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2e4p n ARG 96 N 13.08 2.23 -3.67 1.61 1.85 -1.26 -4.93 116.66 125.58 2e4p n ARG 96 Ca 0.00 -1.85 -0.36 0.00 -1.00 0.00 0.00 57.85 54.64 2e4p n ARG 96 Cb 0.00 -1.47 -0.08 0.00 -1.05 0.00 0.00 32.46 29.86 2e4p n ARG 96 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2e4p s ASP 97 N -1.49 6.21 -0.36 2.89 1.01 -0.52 -1.27 116.67 123.15 2e4p s ASP 97 Ca 0.36 0.23 -0.20 0.00 0.71 0.00 0.00 52.55 53.65 2e4p s ASP 97 Cb 0.21 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 42.02 2e4p s ASP 97 CO 0.29 0.12 0.61 -0.69 0.21 0.00 0.00 175.17 175.70 2e4p s VAL 98 N 0.68 4.92 -0.08 -1.27 1.01 -0.76 -1.15 120.40 123.74 2e4p s VAL 98 Ca 0.09 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 2e4p s VAL 98 Cb -0.12 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2e4p s VAL 98 CO 0.01 -0.30 0.05 -0.76 0.00 0.00 0.00 175.10 174.11 2e4p s LEU 99 N 2.63 3.85 -0.03 3.92 1.43 0.59 -0.51 118.68 130.56 2e4p s LEU 99 Ca 0.23 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 2e4p s LEU 99 Cb -0.15 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2e4p s LEU 99 CO 0.14 0.37 -0.16 -0.69 0.23 0.00 0.00 176.35 176.25 2e4p s VAL 100 N -0.97 1.31 -1.12 -1.59 1.01 0.20 -0.76 120.40 118.48 2e4p s VAL 100 Ca 0.15 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2e4p s VAL 100 Cb -0.12 -1.12 0.09 0.00 0.00 0.00 0.00 36.38 35.24 2e4p s VAL 100 CO 0.05 0.38 1.47 -0.62 0.00 0.00 0.00 175.10 176.37 2e4p s ASP 101 N -0.06 6.72 0.29 3.32 -1.08 -0.91 -0.17 116.67 124.78 2e4p s ASP 101 Ca -0.01 -2.12 0.20 0.00 -0.52 0.00 0.00 52.55 50.11 2e4p s ASP 101 Cb -0.10 -2.51 1.06 0.00 -1.46 0.00 0.00 42.92 39.92 2e4p s ASP 101 CO 0.01 -1.19 1.63 0.49 0.52 0.00 0.00 175.17 176.62 2e4p n PHE 102 N 7.73 0.69 -0.56 -5.34 3.01 -1.26 -1.45 117.46 120.29 2e4p n PHE 102 Ca 0.36 0.35 0.09 0.00 1.01 0.00 0.00 57.45 59.26 2e4p n PHE 102 Cb 0.48 -1.05 0.31 0.00 -0.01 0.00 0.00 39.48 39.21 2e4p n PHE 102 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2e4p n SER 103 N -2.20 4.29 -1.63 4.37 7.64 -1.26 -4.49 113.62 120.34 2e4p n SER 103 Ca -0.01 -2.37 -0.02 0.00 1.01 0.00 0.00 58.87 57.48 2e4p n SER 103 Cb 0.06 -0.51 0.08 0.00 -1.01 0.00 0.00 64.21 62.84 2e4p n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e4p n ARG 104 N 0.94 1.62 -1.69 1.43 3.00 -0.53 -5.07 116.66 116.37 2e4p n ARG 104 Ca 0.23 -3.17 -0.42 0.00 -0.01 0.00 0.00 57.85 54.48 2e4p n ARG 104 Cb 0.78 -1.31 0.00 0.00 0.00 0.00 0.00 32.46 31.94 2e4p n ARG 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2e4p n ALA 105 N -0.47 1.13 -2.41 7.54 0.00 -1.26 -4.41 120.51 120.63 2e4p n ALA 105 Ca 0.18 0.31 -0.19 0.00 0.00 0.00 0.00 53.44 53.74 2e4p n ALA 105 Cb 0.90 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.01 2e4p n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e4p s ALA 106 N -1.15 1.91 -0.13 0.00 0.00 0.29 -4.94 121.76 117.74 2e4p s ALA 106 Ca 0.58 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2e4p s ALA 106 Cb -0.55 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2e4p s ALA 106 CO 0.60 0.13 -0.17 -0.51 0.00 0.00 0.00 175.76 175.81 2e4p s LEU 107 N -2.93 1.84 0.38 0.00 1.43 -1.26 -0.92 118.68 117.23 2e4p s LEU 107 Ca 0.18 -0.51 0.16 0.00 -1.03 0.00 0.00 54.13 52.93 2e4p s LEU 107 Cb -0.03 -1.24 1.05 0.00 0.03 0.00 0.00 46.19 46.00 2e4p s LEU 107 CO 0.06 0.01 1.77 -0.74 0.23 0.00 0.00 176.35 177.68 2e4p h HIS 108 N 7.60 0.73 0.00 0.29 -0.00 -1.82 -3.51 115.15 118.44 2e4p h HIS 108 Ca -0.34 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2e4p h HIS 108 Cb 1.17 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2e4p h HIS 108 CO 0.47 0.07 0.00 0.00 -0.00 0.00 0.00 177.93 178.47