#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e s LYS 2 N 0.00 3.77 -0.10 0.03 1.02 -1.26 -5.01 119.74 118.20 2k2e s LYS 2 Ca 0.00 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.59 2k2e s LYS 2 Cb 0.00 -3.08 0.30 0.00 -0.52 0.00 0.00 37.83 34.52 2k2e s LYS 2 CO 0.00 0.18 1.00 -0.11 -0.92 0.00 0.00 175.35 175.50 2k2e n LEU 3 N 3.76 2.93 -0.08 3.17 7.94 -1.26 -2.94 117.00 130.52 2k2e n LEU 3 Ca -0.17 -1.49 0.00 0.00 -1.11 0.00 0.00 56.01 53.24 2k2e n LEU 3 Cb 0.52 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.90 2k2e n LEU 3 CO 0.33 0.42 0.20 1.41 -1.11 0.00 0.00 177.39 178.65 2k2e n HIS 4 N 0.19 0.00 -4.33 1.96 8.25 -1.26 -5.11 115.22 114.93 2k2e n HIS 4 Ca 0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 2k2e n HIS 4 Cb 0.64 0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.68 2k2e n HIS 4 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2k2e s THR 5 N 0.00 4.30 -0.42 1.59 -4.23 -1.15 -5.07 115.64 110.66 2k2e s THR 5 Ca 0.00 -0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.12 2k2e s THR 5 Cb 0.00 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 71.03 2k2e s THR 5 CO 0.00 0.56 0.31 -1.81 -0.54 0.00 0.00 174.62 173.15 2k2e s ASP 6 N -0.46 6.11 0.00 3.99 1.11 -1.26 -4.95 116.67 121.22 2k2e s ASP 6 Ca 0.08 -0.97 0.00 0.00 0.18 0.00 0.00 52.55 51.85 2k2e s ASP 6 Cb -0.12 -2.16 0.00 0.00 1.07 0.00 0.00 42.92 41.71 2k2e s ASP 6 CO 0.02 -0.48 0.69 -0.81 1.18 0.00 0.00 175.17 175.77 2k2e n PRO 7 N 5.17 0.90 -3.98 8.23 -0.04 -1.26 -4.78 135.00 139.25 2k2e n PRO 7 Ca -0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.25 2k2e n PRO 7 Cb 0.46 -1.24 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e s ALA 8 N -0.42 -0.16 -0.22 0.55 0.00 -1.26 -5.12 121.76 115.12 2k2e s ALA 8 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2k2e s ALA 8 Cb 0.00 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 2k2e s ALA 8 CO 0.00 -0.79 1.36 0.99 0.00 0.00 0.00 175.76 177.32 2k2e s THR 9 N -4.00 4.09 -0.57 0.00 2.01 -1.26 -4.92 115.64 110.99 2k2e s THR 9 Ca 0.21 1.27 -0.23 0.00 0.31 0.00 0.00 61.69 63.25 2k2e s THR 9 Cb 0.01 -3.99 0.05 0.00 0.01 0.00 0.00 72.50 68.58 2k2e s THR 9 CO 0.06 -0.30 0.89 0.00 -0.69 0.00 0.00 174.62 174.58 2k2e s ALA 10 N 4.17 3.19 -1.11 7.40 0.00 0.30 -4.96 121.76 130.76 2k2e s ALA 10 Ca 0.59 -1.47 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 2k2e s ALA 10 Cb -0.21 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 19.23 2k2e s ALA 10 CO 0.21 -2.40 1.73 -0.51 0.00 0.00 0.00 175.76 174.79 2k2e s LEU 11 N 3.72 3.44 -0.37 0.00 1.43 -1.26 -4.40 118.68 121.24 2k2e s LEU 11 Ca 0.26 -1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 51.60 2k2e s LEU 11 Cb -0.15 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.51 2k2e s LEU 11 CO 0.16 -1.98 0.25 0.21 0.23 0.00 0.00 176.35 175.22 2k2e s ASN 12 N 5.68 5.94 -0.05 2.29 2.47 -1.26 -5.07 114.94 124.94 2k2e s ASN 12 Ca 0.58 -0.76 -0.04 0.00 0.42 0.00 0.00 52.86 53.06 2k2e s ASN 12 Cb -0.00 -2.10 -0.04 0.00 -1.45 0.00 0.00 41.25 37.65 2k2e s ASN 12 CO 0.02 -0.35 0.16 -0.89 -3.72 0.00 0.00 177.10 172.32 2k2e s THR 13 N 1.65 5.42 -0.08 -5.21 2.01 -1.26 -5.00 115.64 113.17 2k2e s THR 13 Ca 0.04 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 2k2e s THR 13 Cb -0.18 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 2k2e s THR 13 CO 0.09 0.45 2.09 0.52 -0.69 0.00 0.00 174.62 177.07 2k2e n VAL 14 N 1.39 0.59 -0.07 3.82 0.31 -1.26 -4.33 118.33 118.76 2k2e n VAL 14 Ca -0.15 -0.28 -0.12 0.00 -0.01 0.00 0.00 64.34 63.78 2k2e n VAL 14 Cb 0.54 -2.43 -0.05 0.00 -0.91 0.00 0.00 33.84 30.98 2k2e n VAL 14 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2k2e h THR 15 N 6.30 1.30 -2.89 2.52 1.35 -1.75 -3.42 112.91 116.32 2k2e h THR 15 Ca -0.46 -1.11 -0.41 0.00 -0.55 0.00 0.00 66.41 63.89 2k2e h THR 15 Cb 1.24 1.57 -0.39 0.00 -1.73 0.00 0.00 68.15 68.84 2k2e h THR 15 CO 0.95 0.34 -0.71 0.00 -0.25 0.00 0.00 175.52 175.85 2k2e s ALA 16 N -4.67 0.17 -0.20 6.62 0.00 -0.40 -5.04 121.76 118.25 2k2e s ALA 16 Ca -0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 2k2e s ALA 16 Cb 0.07 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 2k2e s ALA 16 CO 0.76 -1.15 0.17 -0.47 0.00 0.00 0.00 175.76 175.06 2k2e s TYR 17 N 2.21 3.41 0.34 0.00 5.04 -1.26 -0.84 117.35 126.24 2k2e s TYR 17 Ca 0.04 0.37 0.04 0.00 -2.44 0.00 0.00 57.07 55.08 2k2e s TYR 17 Cb -0.16 -2.21 -0.02 0.00 0.35 0.00 0.00 41.96 39.93 2k2e s TYR 17 CO -0.10 0.25 0.15 0.41 -1.34 0.00 0.00 175.55 174.92 2k2e n GLY 18 N 3.60 3.31 0.15 8.97 0.00 -0.55 -5.03 105.19 115.64 2k2e n GLY 18 Ca -0.15 -2.05 0.11 0.00 0.00 0.00 0.00 46.02 43.93 2k2e n GLY 18 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k2e h ASP 19 N 1.45 0.00 0.00 1.61 3.32 -2.05 -3.36 116.42 117.39 2k2e h ASP 19 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2k2e h ASP 19 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2k2e h ASP 19 CO 0.41 0.05 -0.17 0.61 -1.72 0.00 0.00 179.24 178.42 2k2e n GLY 20 N 1.17 2.27 3.55 2.75 0.00 -1.26 -4.88 105.19 108.78 2k2e n GLY 20 Ca 0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2k2e n GLY 20 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2e s TYR 21 N -1.33 -0.49 -0.26 1.61 1.13 -1.26 -5.01 117.35 111.73 2k2e s TYR 21 Ca 0.13 0.83 0.01 0.00 -1.41 0.00 0.00 57.07 56.63 2k2e s TYR 21 Cb 0.12 0.44 0.07 0.00 -1.10 0.00 0.00 41.96 41.49 2k2e s TYR 21 CO 0.01 -0.47 -0.00 0.42 -2.51 0.00 0.00 175.55 173.01 2k2e s ILE 22 N -1.22 1.47 -0.27 -3.49 1.01 -1.12 -1.49 121.20 116.09 2k2e s ILE 22 Ca -0.05 -1.41 -0.08 0.00 0.00 0.00 0.00 60.65 59.11 2k2e s ILE 22 Cb -0.00 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 2k2e s ILE 22 CO 0.05 -0.30 0.10 -0.70 0.00 0.00 0.00 174.94 174.08 2k2e s GLU 23 N 1.38 3.52 -0.02 2.79 -6.30 -0.02 0.08 118.70 120.13 2k2e s GLU 23 Ca 0.00 -0.58 0.06 0.00 -2.50 0.00 0.00 54.97 51.96 2k2e s GLU 23 Cb -0.18 -3.41 -0.01 0.00 0.00 0.00 0.00 34.13 30.52 2k2e s GLU 23 CO -0.10 -0.28 -0.20 0.08 0.02 0.00 0.00 175.26 174.78 2k2e s VAL 24 N 1.61 1.61 0.00 3.70 1.01 -0.25 -1.27 120.40 126.81 2k2e s VAL 24 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2k2e s VAL 24 Cb -0.16 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2k2e s VAL 24 CO 0.05 0.46 0.00 0.59 0.00 0.00 0.00 175.10 176.19 2k2e n ASN 25 N 2.67 0.00 -0.16 3.32 4.13 -1.26 -0.74 115.26 123.22 2k2e n ASN 25 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 2k2e n ASN 25 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k2e n GLN 26 N 0.00 0.00 -4.12 3.52 6.02 -1.26 -4.84 117.38 116.70 2k2e n GLN 26 Ca 0.00 -0.24 -0.33 0.00 -0.01 0.00 0.00 57.00 56.42 2k2e n GLN 26 Cb 0.00 -0.18 -0.16 0.00 1.02 0.00 0.00 30.24 30.92 2k2e n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2k2e s VAL 27 N 0.00 2.13 -0.53 5.09 1.01 0.09 -5.08 120.40 123.11 2k2e s VAL 27 Ca 0.00 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 2k2e s VAL 27 Cb 0.00 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.52 2k2e s VAL 27 CO 0.00 0.53 1.03 -0.60 0.00 0.00 0.00 175.10 176.07 2k2e s ARG 28 N 1.29 3.48 -0.08 2.72 3.52 -1.26 -1.09 118.95 127.53 2k2e s ARG 28 Ca 0.05 0.09 -0.22 0.00 -0.13 0.00 0.00 55.73 55.51 2k2e s ARG 28 Cb -0.13 -3.99 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 2k2e s ARG 28 CO -0.12 -1.47 0.65 -0.06 -0.81 0.00 0.00 175.30 173.49 2k2e s PHE 29 N 4.26 3.56 -0.28 5.12 0.08 0.11 -4.93 117.98 125.90 2k2e s PHE 29 Ca 0.38 1.17 0.16 0.00 0.12 0.00 0.00 56.93 58.75 2k2e s PHE 29 Cb -0.10 -2.75 0.58 0.00 -0.57 0.00 0.00 43.02 40.18 2k2e s PHE 29 CO 0.24 0.10 1.49 0.43 -0.10 0.00 0.00 175.22 177.38 2k2e n SER 30 N 3.79 4.23 -4.09 1.36 7.64 -1.26 -2.80 113.62 122.49 2k2e n SER 30 Ca -0.02 -2.91 -0.10 0.00 1.01 0.00 0.00 58.87 56.84 2k2e n SER 30 Cb 0.51 -0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 63.08 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2k2e s HIS 31 N -2.66 0.73 0.41 1.43 -3.43 -1.26 -4.99 115.29 105.52 2k2e s HIS 31 Ca 0.44 -1.04 -0.26 0.00 -0.80 0.00 0.00 55.06 53.40 2k2e s HIS 31 Cb 0.34 -0.21 -0.09 0.00 -1.43 0.00 0.00 32.58 31.20 2k2e s HIS 31 CO 0.11 -0.77 1.30 0.00 -2.00 0.00 0.00 174.74 173.38 2k2e s ALA 32 N -4.07 3.25 -0.01 -1.38 0.00 -1.13 -4.69 121.76 113.74 2k2e s ALA 32 Ca 0.29 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.48 2k2e s ALA 32 Cb 0.04 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2k2e s ALA 32 CO 0.08 -0.82 -0.02 0.96 0.00 0.00 0.00 175.76 175.96 2k2e s ILE 33 N -1.27 0.20 -0.15 0.00 -4.36 -0.77 -1.90 121.20 112.96 2k2e s ILE 33 Ca 0.57 -0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.87 2k2e s ILE 33 Cb -0.38 -0.19 0.03 0.00 1.25 0.00 0.00 42.46 43.17 2k2e s ILE 33 CO 0.48 0.07 -0.10 0.00 0.24 0.00 0.00 174.94 175.63 2k2e s ALA 34 N 0.06 1.66 0.14 2.27 0.00 -0.78 -0.12 121.76 124.99 2k2e s ALA 34 Ca -0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 2k2e s ALA 34 Cb -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2k2e s ALA 34 CO -0.00 -0.50 0.23 -0.59 0.00 0.00 0.00 175.76 174.89 2k2e s PHE 35 N 1.57 0.37 0.03 0.00 -0.71 -0.40 0.24 117.98 119.09 2k2e s PHE 35 Ca 0.04 -0.76 0.00 0.00 -1.04 0.00 0.00 56.93 55.17 2k2e s PHE 35 Cb -0.13 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 2k2e s PHE 35 CO -0.09 -0.64 -0.04 0.00 -1.34 0.00 0.00 175.22 173.11 2k2e s ALA 36 N -3.94 0.31 0.45 1.99 0.00 -1.24 -1.53 121.76 117.80 2k2e s ALA 36 Ca 0.14 -0.79 0.13 0.00 0.00 0.00 0.00 51.96 51.44 2k2e s ALA 36 Cb 0.04 0.16 1.05 0.00 0.00 0.00 0.00 23.12 24.38 2k2e s ALA 36 CO -0.03 -0.19 2.04 -1.35 0.00 0.00 0.00 175.76 176.23 2k2e h PRO 37 N 4.21 0.33 -0.57 0.00 0.11 -1.77 -1.32 132.00 132.99 2k2e h PRO 37 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2k2e h PRO 37 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k2e h PRO 37 CO 0.48 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 2k2e n GLU 38 N -4.48 4.66 -3.16 1.05 4.71 -1.26 -0.53 120.64 121.62 2k2e n GLU 38 Ca 0.05 -3.12 -0.10 0.00 -0.01 0.00 0.00 57.16 53.98 2k2e n GLU 38 Cb 0.24 -2.20 -0.03 0.00 -1.01 0.00 0.00 31.44 28.44 2k2e n GLU 38 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k2e n GLY 39 N 0.63 2.63 0.11 0.62 0.00 -0.50 -5.00 105.19 103.68 2k2e n GLY 39 Ca 0.27 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 2k2e n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k2e n PRO 40 N -0.38 0.45 -3.74 1.61 -0.04 -1.26 -4.47 135.00 127.18 2k2e n PRO 40 Ca 0.01 -0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 2k2e n PRO 40 Cb 0.38 -0.02 -0.12 0.00 -0.04 0.00 0.00 33.50 33.69 2k2e n PRO 40 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2e s VAL 41 N -0.14 4.15 -0.08 0.52 1.01 -1.26 -3.65 120.40 120.94 2k2e s VAL 41 Ca 0.02 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 2k2e s VAL 41 Cb -0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2k2e s VAL 41 CO 0.01 0.14 0.66 0.00 0.00 0.00 0.00 175.10 175.91 2k2e s ALA 42 N 1.55 3.37 -0.14 5.51 0.00 0.14 -4.93 121.76 127.26 2k2e s ALA 42 Ca 0.04 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 2k2e s ALA 42 Cb -0.17 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2k2e s ALA 42 CO 0.03 -0.11 1.25 -1.54 0.00 0.00 0.00 175.76 175.39 2k2e s SER 43 N 0.78 6.97 -0.23 0.00 1.04 -1.26 -1.86 113.70 119.14 2k2e s SER 43 Ca 0.35 1.72 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 2k2e s SER 43 Cb -0.17 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.42 2k2e s SER 43 CO 0.16 -0.72 -0.08 0.86 0.98 0.00 0.00 173.24 174.44 2k2e s TRP 44 N 3.21 2.99 -0.64 5.02 -0.00 -0.80 -4.97 118.94 123.75 2k2e s TRP 44 Ca 0.55 -1.42 0.02 0.00 -0.00 0.00 0.00 56.10 55.25 2k2e s TRP 44 Cb -0.22 -2.05 0.13 0.00 -0.00 0.00 0.00 33.47 31.33 2k2e s TRP 44 CO 0.16 -0.70 0.83 -0.35 -0.00 0.00 0.00 176.95 176.90 2k2e n PRO 45 N 4.69 1.52 -3.13 5.86 -0.04 -1.26 -2.82 135.00 139.82 2k2e n PRO 45 Ca -0.18 -0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 62.37 2k2e n PRO 45 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2e s VAL 46 N -1.07 5.03 -0.16 0.52 1.01 -1.26 -4.90 120.40 119.57 2k2e s VAL 46 Ca 0.09 1.17 0.06 0.00 0.00 0.00 0.00 61.98 63.30 2k2e s VAL 46 Cb 0.07 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 2k2e s VAL 46 CO 0.02 0.13 -0.07 0.00 0.00 0.00 0.00 175.10 175.17 2k2e n GLN 47 N 4.95 0.96 -5.22 2.72 6.02 -1.26 -3.92 117.38 121.63 2k2e n GLN 47 Ca -0.02 0.06 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 2k2e n GLN 47 Cb 0.50 -1.36 -0.17 0.00 1.02 0.00 0.00 30.24 30.23 2k2e n GLN 47 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k2e s ARG 48 N -2.35 2.88 0.00 -1.09 0.52 -1.26 -4.09 118.95 113.56 2k2e s ARG 48 Ca -0.17 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.18 2k2e s ARG 48 Cb 0.05 -2.24 0.12 0.00 0.52 0.00 0.00 34.95 33.40 2k2e s ARG 48 CO 0.48 0.24 0.49 -2.30 0.02 0.00 0.00 175.30 174.23 2k2e n PRO 49 N 3.36 0.36 0.00 3.54 -0.02 -1.26 -1.90 135.00 139.08 2k2e n PRO 49 Ca -0.19 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.42 2k2e n PRO 49 Cb 0.53 -1.09 0.23 0.00 -0.02 0.00 0.00 33.50 33.15 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 50 N -0.59 3.02 -0.52 3.55 0.00 -1.26 -3.97 120.51 120.74 2k2e n ALA 50 Ca 0.02 -0.55 0.07 0.00 0.00 0.00 0.00 53.44 52.98 2k2e n ALA 50 Cb 0.01 -0.97 0.21 0.00 0.00 0.00 0.00 19.45 18.70 2k2e n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k2e n ASP 51 N 0.10 3.44 -4.63 0.00 8.00 -0.80 -4.98 116.55 117.68 2k2e n ASP 51 Ca 0.13 -2.41 -0.41 0.00 0.71 0.00 0.00 54.79 52.80 2k2e n ASP 51 Cb 0.44 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2k2e n ASP 51 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2k2e s ILE 52 N -1.75 4.92 0.39 0.53 1.01 -1.25 -5.05 121.20 120.00 2k2e s ILE 52 Ca 0.33 1.23 0.08 0.00 0.00 0.00 0.00 60.65 62.28 2k2e s ILE 52 Cb 0.22 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 2k2e s ILE 52 CO 0.14 -0.04 0.42 0.42 0.00 0.00 0.00 174.94 175.88 2k2e s THR 53 N 2.65 3.08 0.42 2.92 -4.23 -1.26 -5.01 115.64 114.20 2k2e s THR 53 Ca 0.29 -1.22 0.14 0.00 -1.18 0.00 0.00 61.69 59.72 2k2e s THR 53 Cb -0.15 -3.08 0.15 0.00 1.34 0.00 0.00 72.50 70.75 2k2e s THR 53 CO 0.09 -0.05 1.93 0.00 -0.54 0.00 0.00 174.62 176.04 2k2e h ALA 54 N 0.95 1.58 -0.48 3.99 0.00 -1.85 -2.45 119.26 121.00 2k2e h ALA 54 Ca -0.42 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 2k2e h ALA 54 Cb 1.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2k2e h ALA 54 CO 0.54 0.32 -0.00 0.66 0.00 0.00 0.00 179.25 180.76 2k2e h SER 55 N 0.00 0.84 -0.17 0.00 4.64 -1.95 -2.35 113.55 114.56 2k2e h SER 55 Ca -0.00 -0.31 -0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2k2e h SER 55 Cb 0.45 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2k2e h SER 55 CO 0.03 0.94 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.76 2k2e h LEU 56 N 0.71 0.51 -0.60 5.97 3.38 -1.86 -2.44 115.31 120.99 2k2e h LEU 56 Ca 0.14 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2k2e h LEU 56 Cb 0.52 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2k2e h LEU 56 CO 0.03 0.66 0.22 -0.07 0.09 0.00 0.00 178.44 179.37 2k2e h LEU 57 N 0.49 0.84 -0.88 1.67 3.38 -1.17 0.53 115.31 120.17 2k2e h LEU 57 Ca 0.09 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2k2e h LEU 57 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2k2e h LEU 57 CO 0.03 0.80 -0.10 1.56 0.09 0.00 0.00 178.44 180.82 2k2e h GLN 58 N 0.83 0.72 -0.20 1.13 4.20 -1.14 -0.90 115.11 119.76 2k2e h GLN 58 Ca 0.20 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 2k2e h GLN 58 Cb 0.23 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2k2e h GLN 58 CO -0.01 0.80 -0.55 1.96 -0.67 0.00 0.00 178.83 180.36 2k2e h GLN 59 N 0.66 0.60 0.00 1.46 4.20 -1.18 -2.84 115.11 118.00 2k2e h GLN 59 Ca 0.12 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 2k2e h GLN 59 Cb 0.55 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2k2e h GLN 59 CO 0.03 0.99 -0.26 0.00 -0.67 0.00 0.00 178.83 178.92 2k2e h ALA 60 N 0.94 1.31 0.00 3.87 0.00 -0.49 -1.46 119.26 123.42 2k2e h ALA 60 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k2e h ALA 60 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k2e h ALA 60 CO 0.11 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2k2e n ALA 61 N -2.37 1.95 -0.97 0.00 0.00 -0.38 -4.62 120.51 114.12 2k2e n ALA 61 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k2e n ALA 61 Cb 0.35 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2k2e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 62 N 0.55 0.45 0.88 0.00 0.00 -0.55 -4.81 105.19 101.71 2k2e n GLY 62 Ca 0.06 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.55 2k2e n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k2e n LEU 63 N 0.00 2.48 0.02 0.99 4.77 -1.10 -3.59 117.00 120.57 2k2e n LEU 63 Ca 0.00 -1.25 0.11 0.00 -0.03 0.00 0.00 56.01 54.84 2k2e n LEU 63 Cb 0.00 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 2k2e n LEU 63 CO 0.00 0.43 -0.34 0.00 -1.33 0.00 0.00 177.39 176.15 2k2e n ALA 64 N 0.36 3.24 -4.04 -1.18 0.00 -1.26 -4.85 120.51 112.78 2k2e n ALA 64 Ca 0.12 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.78 2k2e n ALA 64 Cb 0.49 -0.86 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 2k2e n ALA 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k2e s GLU 65 N -3.33 2.36 -0.21 0.00 2.12 -1.24 -5.10 118.70 113.30 2k2e s GLU 65 Ca -0.01 -0.77 -0.22 0.00 0.36 0.00 0.00 54.97 54.33 2k2e s GLU 65 Cb 0.14 -2.37 -0.02 0.00 0.26 0.00 0.00 34.13 32.14 2k2e s GLU 65 CO 0.86 -0.32 0.68 0.08 -0.54 0.00 0.00 175.26 176.02 2k2e s VAL 66 N 1.39 4.98 -0.13 3.70 1.01 -1.26 -5.05 120.40 125.04 2k2e s VAL 66 Ca 0.02 1.27 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 2k2e s VAL 66 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2k2e s VAL 66 CO -0.10 0.06 0.39 -0.69 0.00 0.00 0.00 175.10 174.76 2k2e s VAL 67 N 2.17 5.23 0.02 2.92 1.01 -1.26 -5.08 120.40 125.41 2k2e s VAL 67 Ca 0.30 0.77 0.07 0.00 0.00 0.00 0.00 61.98 63.12 2k2e s VAL 67 Cb -0.16 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2k2e s VAL 67 CO 0.10 0.37 -0.22 -0.13 0.00 0.00 0.00 175.10 175.22 2k2e s ARG 68 N 0.42 1.58 0.65 2.72 0.52 -1.26 -4.56 118.95 119.02 2k2e s ARG 68 Ca 0.22 -0.90 -0.10 0.00 -0.52 0.00 0.00 55.73 54.42 2k2e s ARG 68 Cb -0.14 -1.64 -0.01 0.00 0.52 0.00 0.00 34.95 33.68 2k2e s ARG 68 CO 0.08 0.43 1.04 -0.51 0.02 0.00 0.00 175.30 176.35 2k2e s ASP 69 N -0.94 5.76 0.73 0.23 1.01 -1.26 -5.03 116.67 117.17 2k2e s ASP 69 Ca 0.08 1.17 -0.16 0.00 0.71 0.00 0.00 52.55 54.35 2k2e s ASP 69 Cb -0.09 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 2k2e s ASP 69 CO 0.01 -1.11 0.70 -2.65 0.21 0.00 0.00 175.17 172.33 2k2e n PRO 70 N -2.83 0.34 0.00 8.23 -0.02 -1.26 -4.84 135.00 134.61 2k2e n PRO 70 Ca 0.06 0.16 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 2k2e n PRO 70 Cb 0.56 -1.99 0.45 0.00 -0.02 0.00 0.00 33.50 32.50 2k2e n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2k2e n LEU 71 N -0.94 0.00 0.00 2.45 4.77 -1.26 -1.20 117.00 120.82 2k2e n LEU 71 Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 2k2e n LEU 71 Cb 0.50 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.93 2k2e n LEU 71 CO 0.50 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 177.14 2k2e n ALA 72 N -0.94 3.23 -3.47 -1.18 0.00 -1.26 -4.76 120.51 112.12 2k2e n ALA 72 Ca 0.11 -0.28 -0.36 0.00 0.00 0.00 0.00 53.44 52.91 2k2e n ALA 72 Cb 0.05 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.16 2k2e n ALA 72 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k2e s PHE 73 N -3.00 3.07 -0.22 0.00 0.08 -0.34 -5.09 117.98 112.48 2k2e s PHE 73 Ca 0.12 -1.20 -0.10 0.00 0.12 0.00 0.00 56.93 55.86 2k2e s PHE 73 Cb 0.18 -2.14 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2k2e s PHE 73 CO 0.66 -0.63 0.14 -1.17 -0.10 0.00 0.00 175.22 174.12 2k2e s LEU 74 N 1.42 4.15 0.82 -0.37 2.96 -1.26 -4.85 118.68 121.56 2k2e s LEU 74 Ca 0.02 0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.98 2k2e s LEU 74 Cb -0.16 -2.10 0.09 0.00 0.50 0.00 0.00 46.19 44.52 2k2e s LEU 74 CO -0.02 0.12 1.10 -1.81 -1.32 0.00 0.00 176.35 174.43 2k2e s ASP 75 N 0.73 4.26 -0.08 3.68 1.01 -1.26 -5.02 116.67 119.99 2k2e s ASP 75 Ca 0.08 1.24 -0.25 0.00 0.71 0.00 0.00 52.55 54.32 2k2e s ASP 75 Cb -0.12 -1.94 -0.21 0.00 1.01 0.00 0.00 42.92 41.65 2k2e s ASP 75 CO 0.01 -2.11 0.94 -0.33 0.21 0.00 0.00 175.17 173.90 2k2e h GLU 76 N -1.19 -0.04 0.00 8.23 3.07 -1.94 -3.47 114.58 119.25 2k2e h GLU 76 Ca -0.48 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.22 2k2e h GLU 76 Cb 1.28 0.01 0.09 0.00 -0.84 0.00 0.00 28.75 29.29 2k2e h GLU 76 CO 0.60 0.64 0.04 -2.30 -1.40 0.00 0.00 179.01 176.59 2k2e n PRO 77 N -4.76 -2.03 0.14 2.33 -0.02 -1.26 -4.95 135.00 124.44 2k2e n PRO 77 Ca -0.09 -0.74 0.05 0.00 -2.02 0.00 0.00 63.50 60.70 2k2e n PRO 77 Cb 0.34 -0.71 0.04 0.00 -0.02 0.00 0.00 33.50 33.14 2k2e n PRO 77 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k2e h GLU 78 N 0.00 0.00 -6.35 -0.52 3.07 -1.96 -3.45 114.58 105.37 2k2e h GLU 78 Ca -0.18 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.18 2k2e h GLU 78 Cb 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2k2e h GLU 78 CO 0.11 0.30 -0.27 0.00 -1.40 0.00 0.00 179.01 177.76 2k2e s ALA 79 N -3.05 3.76 0.59 3.43 0.00 -1.26 -5.11 121.76 120.13 2k2e s ALA 79 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2k2e s ALA 79 Cb 0.07 -2.06 0.09 0.00 0.00 0.00 0.00 23.12 21.23 2k2e s ALA 79 CO 0.74 0.25 0.63 0.41 0.00 0.00 0.00 175.76 177.79 2k2e n GLY 80 N -1.11 0.77 5.00 0.00 0.00 -1.26 -4.56 105.19 104.03 2k2e n GLY 80 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 81 N -2.92 0.00 0.00 4.61 0.00 -1.26 -3.78 120.51 117.16 2k2e n ALA 81 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k2e n ALA 81 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2k2e n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 82 N 0.00 -0.67 2.45 0.00 0.00 -1.26 -4.97 105.19 100.74 2k2e n GLY 82 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 83 N 0.00 -0.37 -2.72 4.61 0.00 -1.25 -4.80 120.51 115.98 2k2e n ALA 83 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 2k2e n ALA 83 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 2k2e n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k2e s ARG 84 N -4.06 2.67 0.43 0.00 0.52 -1.26 -5.01 118.95 112.24 2k2e s ARG 84 Ca 0.00 -0.80 0.18 0.00 -0.52 0.00 0.00 55.73 54.59 2k2e s ARG 84 Cb 0.00 -2.60 1.10 0.00 0.52 0.00 0.00 34.95 33.97 2k2e s ARG 84 CO 0.00 0.54 1.88 -1.35 0.02 0.00 0.00 175.30 176.40 2k2e h PRO 85 N 3.33 0.37 0.00 3.54 0.11 -1.97 -0.48 132.00 136.89 2k2e h PRO 85 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2k2e h PRO 85 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2k2e h PRO 85 CO 0.62 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 2k2e n ALA 86 N -2.53 1.99 0.10 -0.75 0.00 -1.26 -2.35 120.51 115.71 2k2e n ALA 86 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 2k2e n ALA 86 Cb 0.65 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.87 2k2e n ALA 86 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k2e h ASN 87 N 0.00 0.06 -4.03 0.00 -0.26 -1.49 -3.45 115.58 106.42 2k2e h ASN 87 Ca 0.00 -0.05 -0.46 0.00 -0.56 0.00 0.00 56.30 55.23 2k2e h ASN 87 Cb 0.10 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 2k2e h ASN 87 CO 0.00 0.83 0.30 0.00 -1.06 0.00 0.00 177.43 177.50 2k2e s ALA 88 N -3.25 3.11 -0.02 -0.83 0.00 -0.99 -5.00 121.76 114.79 2k2e s ALA 88 Ca -0.01 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 2k2e s ALA 88 Cb 0.11 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 2k2e s ALA 88 CO 0.80 0.04 1.65 -2.14 0.00 0.00 0.00 175.76 176.10 2k2e s PRO 89 N -3.47 4.19 0.09 0.00 0.02 -1.26 -4.91 135.00 129.66 2k2e s PRO 89 Ca 0.59 2.22 -0.21 0.00 0.02 0.00 0.00 61.00 63.62 2k2e s PRO 89 Cb -0.10 -3.88 -0.10 0.00 0.02 0.00 0.00 34.50 30.44 2k2e s PRO 89 CO 0.20 -0.80 1.66 1.49 -0.33 0.00 0.00 177.00 179.22 2k2e h GLU 90 N 9.19 0.21 -4.33 5.54 4.81 -1.32 -3.38 114.58 125.29 2k2e h GLU 90 Ca -0.40 -0.03 -0.39 0.00 -0.13 0.00 0.00 59.36 58.41 2k2e h GLU 90 Cb 1.19 -0.04 -0.31 0.00 0.63 0.00 0.00 28.75 30.22 2k2e h GLU 90 CO 0.94 0.25 -0.77 0.54 -0.73 0.00 0.00 179.01 179.24 2k2e s VAL 91 N -5.74 0.58 -0.37 0.32 0.11 -0.98 -0.78 120.40 113.54 2k2e s VAL 91 Ca -0.13 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 58.64 2k2e s VAL 91 Cb 0.07 -0.54 0.08 0.00 -1.53 0.00 0.00 36.38 34.46 2k2e s VAL 91 CO 0.69 0.20 0.14 -0.22 -3.33 0.00 0.00 175.10 172.58 2k2e s LEU 92 N 0.31 4.72 -0.43 2.54 2.96 0.95 -1.89 118.68 127.84 2k2e s LEU 92 Ca -0.04 -1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 52.01 2k2e s LEU 92 Cb -0.08 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.81 2k2e s LEU 92 CO 0.00 -0.43 0.71 -0.76 -1.32 0.00 0.00 176.35 174.55 2k2e s LEU 93 N 1.24 4.36 -0.38 -0.68 1.43 -0.03 -0.74 118.68 123.88 2k2e s LEU 93 Ca 0.02 -0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 2k2e s LEU 93 Cb -0.21 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.16 2k2e s LEU 93 CO -0.02 -0.81 0.28 -0.69 0.23 0.00 0.00 176.35 175.34 2k2e s VAL 94 N 3.01 5.26 -0.89 -1.59 1.01 0.55 -0.32 120.40 127.43 2k2e s VAL 94 Ca 0.26 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 2k2e s VAL 94 Cb -0.13 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.50 2k2e s VAL 94 CO 0.20 -0.17 1.21 -0.83 0.00 0.00 0.00 175.10 175.51 2k2e s GLY 95 N 1.71 1.54 0.59 4.51 0.00 0.12 -1.23 107.32 114.55 2k2e s GLY 95 Ca 0.06 -2.33 0.30 0.00 0.00 0.00 0.00 44.72 42.75 2k2e s GLY 95 CO 0.10 2.28 2.24 -0.84 0.00 0.00 0.00 173.10 176.88 2k2e h THR 96 N 6.17 0.50 0.00 0.90 2.02 -0.73 0.72 112.91 122.48 2k2e h THR 96 Ca 0.05 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2k2e h THR 96 Cb 1.03 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2k2e h THR 96 CO 1.23 0.02 0.00 0.61 0.37 0.00 0.00 175.52 177.75 2k2e n GLY 97 N -1.21 2.08 3.42 2.16 0.00 -1.23 -4.71 105.19 105.71 2k2e n GLY 97 Ca -0.03 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 2k2e n GLY 97 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2e s ARG 98 N 0.00 4.03 1.22 1.61 3.52 -1.26 -4.68 118.95 123.38 2k2e s ARG 98 Ca 0.00 -2.63 0.00 0.00 -0.13 0.00 0.00 55.73 52.97 2k2e s ARG 98 Cb 0.00 -4.88 0.00 0.00 -1.56 0.00 0.00 34.95 28.51 2k2e s ARG 98 CO 0.00 -1.61 0.00 0.54 -0.81 0.00 0.00 175.30 173.42 2k2e n ARG 99 N 4.93 -0.99 -3.35 5.12 1.74 -1.26 -4.81 116.66 118.04 2k2e n ARG 99 Ca 0.30 0.65 -0.36 0.00 -0.77 0.00 0.00 57.85 57.67 2k2e n ARG 99 Cb 0.43 -1.21 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 2k2e n ARG 99 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2k2e s GLN 100 N -0.81 4.03 -0.04 5.56 0.74 -1.26 -4.66 119.66 123.21 2k2e s GLN 100 Ca 0.00 0.55 -0.00 0.00 0.05 0.00 0.00 55.36 55.96 2k2e s GLN 100 Cb 0.00 -3.03 0.03 0.00 1.10 0.00 0.00 33.01 31.10 2k2e s GLN 100 CO 0.00 0.54 -0.00 -1.01 -0.55 0.00 0.00 175.29 174.26 2k2e s HIS 101 N -1.35 0.47 -0.43 1.67 3.76 -1.26 -5.11 115.29 113.04 2k2e s HIS 101 Ca 0.34 -0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.91 2k2e s HIS 101 Cb -0.16 -0.56 0.03 0.00 1.11 0.00 0.00 32.58 32.99 2k2e s HIS 101 CO 0.19 -0.19 1.08 -1.17 -0.85 0.00 0.00 174.74 173.80 2k2e s LEU 102 N 1.31 3.77 0.88 0.89 2.96 -1.26 -4.88 118.68 122.35 2k2e s LEU 102 Ca -0.06 0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 54.29 2k2e s LEU 102 Cb -0.13 -3.48 0.12 0.00 0.50 0.00 0.00 46.19 43.19 2k2e s LEU 102 CO -0.02 -1.12 1.16 -0.76 -1.32 0.00 0.00 176.35 174.29 2k2e s LEU 103 N 4.12 2.19 0.24 -0.68 1.43 -1.26 -5.07 118.68 119.66 2k2e s LEU 103 Ca 0.45 0.88 0.07 0.00 -1.03 0.00 0.00 54.13 54.51 2k2e s LEU 103 Cb -0.09 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2k2e s LEU 103 CO 0.27 -2.33 0.18 -0.83 0.23 0.00 0.00 176.35 173.87 2k2e s GLY 104 N -4.24 1.44 0.39 -3.19 0.00 -1.26 -4.98 107.32 95.48 2k2e s GLY 104 Ca 0.63 -1.41 0.06 0.00 0.00 0.00 0.00 44.72 44.01 2k2e s GLY 104 CO 0.52 -1.45 2.02 -2.55 0.00 0.00 0.00 173.10 171.64 2k2e h PRO 105 N 1.59 0.63 0.00 2.90 0.11 -1.97 -0.46 132.00 134.79 2k2e h PRO 105 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2k2e h PRO 105 Cb 1.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k2e h PRO 105 CO 0.61 0.42 -0.00 0.93 -0.21 0.00 0.00 178.00 179.74 2k2e h GLU 106 N 0.65 0.00 0.00 1.05 3.07 -2.00 -1.97 114.58 115.38 2k2e h GLU 106 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2k2e h GLU 106 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2k2e h GLU 106 CO -0.05 0.00 -0.56 1.04 -1.40 0.00 0.00 179.01 178.05 2k2e n GLN 107 N -3.16 0.34 0.12 2.33 6.02 -0.24 -4.75 117.38 118.04 2k2e n GLN 107 Ca -0.03 0.25 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 2k2e n GLN 107 Cb 0.11 -1.23 0.08 0.00 1.02 0.00 0.00 30.24 30.21 2k2e n GLN 107 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2k2e h VAL 108 N -0.68 0.00 -0.42 5.09 -1.51 -1.45 -3.38 116.25 113.90 2k2e h VAL 108 Ca 0.00 -0.89 0.03 0.00 -1.23 0.00 0.00 66.70 64.61 2k2e h VAL 108 Cb 0.56 1.53 -0.04 0.00 -2.13 0.00 0.00 31.29 31.21 2k2e h VAL 108 CO 0.00 0.00 0.21 -0.09 -1.23 0.00 0.00 177.57 176.46 2k2e h ARG 109 N 0.00 0.41 -0.83 5.19 2.43 -1.57 -1.12 114.38 118.90 2k2e h ARG 109 Ca 0.00 -0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.32 2k2e h ARG 109 Cb 0.95 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 2k2e h ARG 109 CO 0.00 0.27 0.55 -1.35 -1.51 0.00 0.00 179.97 177.94 2k2e h PRO 110 N 0.43 0.37 0.03 0.20 0.11 -1.78 0.73 132.00 132.09 2k2e h PRO 110 Ca 0.18 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.05 2k2e h PRO 110 Cb 0.09 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.13 2k2e h PRO 110 CO -0.13 0.25 -0.87 -0.07 -0.21 0.00 0.00 178.00 176.97 2k2e h LEU 111 N 0.39 0.72 -1.85 2.35 3.38 -1.50 -3.04 115.31 115.77 2k2e h LEU 111 Ca 0.42 -0.77 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2k2e h LEU 111 Cb 1.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2k2e h LEU 111 CO -0.14 1.41 -0.14 -0.07 0.09 0.00 0.00 178.44 179.59 2k2e h LEU 112 N 0.12 0.00 -1.15 1.67 4.07 -0.51 -0.17 115.31 119.33 2k2e h LEU 112 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 2k2e h LEU 112 Cb 1.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.31 2k2e h LEU 112 CO 0.17 0.14 0.00 0.00 -1.08 0.00 0.00 178.44 177.67 2k2e h ALA 113 N 1.86 1.00 -0.00 1.53 0.00 -0.79 -1.79 119.26 121.07 2k2e h ALA 113 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2e h ALA 113 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k2e h ALA 113 CO 0.02 0.00 -0.40 -1.33 0.00 0.00 0.00 179.25 177.53 2k2e n MET 114 N -3.05 0.44 -0.45 0.00 2.81 -0.22 -4.92 117.12 111.72 2k2e n MET 114 Ca 0.01 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 2k2e n MET 114 Cb 0.34 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 2k2e n MET 114 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k2e n GLY 115 N 1.42 0.73 3.59 3.03 0.00 -0.67 -5.03 105.19 108.26 2k2e n GLY 115 Ca 0.09 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2k2e n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k2e s VAL 116 N -2.00 4.99 -0.88 1.61 1.01 -0.35 -4.75 120.40 120.02 2k2e s VAL 116 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 61.98 62.44 2k2e s VAL 116 Cb 0.00 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.49 2k2e s VAL 116 CO 0.00 -0.12 1.29 -0.83 0.00 0.00 0.00 175.10 175.44 2k2e s GLY 117 N 1.67 1.29 -0.23 4.51 0.00 0.04 -3.58 107.32 111.00 2k2e s GLY 117 Ca 0.22 -2.06 -0.26 0.00 0.00 0.00 0.00 44.72 42.63 2k2e s GLY 117 CO 0.12 2.48 0.88 0.14 0.00 0.00 0.00 173.10 176.72 2k2e s VAL 118 N 4.67 4.81 -0.10 1.40 1.01 -1.26 -0.04 120.40 130.90 2k2e s VAL 118 Ca 0.38 1.68 0.02 0.00 0.00 0.00 0.00 61.98 64.06 2k2e s VAL 118 Cb -0.05 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2k2e s VAL 118 CO -0.01 -0.09 -0.16 -1.61 0.00 0.00 0.00 175.10 173.24 2k2e s GLU 119 N 2.85 2.22 -0.27 2.72 2.02 0.08 -4.94 118.70 123.39 2k2e s GLU 119 Ca 0.37 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.73 2k2e s GLU 119 Cb -0.15 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.24 2k2e s GLU 119 CO 0.08 -0.01 0.03 0.00 0.02 0.00 0.00 175.26 175.38 2k2e s ALA 120 N 0.82 2.98 0.06 5.21 0.00 -1.26 -0.33 121.76 129.23 2k2e s ALA 120 Ca -0.10 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.52 2k2e s ALA 120 Cb -0.16 -1.99 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 2k2e s ALA 120 CO 0.01 -0.75 0.06 -1.33 0.00 0.00 0.00 175.76 173.76 2k2e n MET 121 N 4.83 0.09 -1.70 0.00 2.81 -0.37 -4.72 117.12 118.07 2k2e n MET 121 Ca -0.16 -0.59 -0.34 0.00 -1.81 0.00 0.00 57.70 54.81 2k2e n MET 121 Cb 0.49 0.50 0.06 0.00 -0.71 0.00 0.00 33.22 33.56 2k2e n MET 121 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k2e s ASP 122 N -1.42 4.81 0.22 7.83 1.01 -1.26 -0.06 116.67 127.79 2k2e s ASP 122 Ca 0.07 2.20 -0.09 0.00 0.71 0.00 0.00 52.55 55.44 2k2e s ASP 122 Cb 0.00 -2.57 0.24 0.00 1.01 0.00 0.00 42.92 41.59 2k2e s ASP 122 CO 0.05 -1.84 1.84 0.74 0.21 0.00 0.00 175.17 176.17 2k2e h THR 123 N 0.11 1.06 -0.15 -1.27 2.02 -1.83 0.15 112.91 112.99 2k2e h THR 123 Ca -0.48 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2k2e h THR 123 Cb 1.27 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2k2e h THR 123 CO 0.53 0.16 0.10 -0.61 0.37 0.00 0.00 175.52 176.06 2k2e h GLN 124 N 0.87 0.20 -0.76 6.66 4.15 -1.96 0.67 115.11 124.93 2k2e h GLN 124 Ca 0.31 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 2k2e h GLN 124 Cb 0.08 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2k2e h GLN 124 CO -0.14 0.16 0.29 0.00 -1.93 0.00 0.00 178.83 177.21 2k2e h ALA 125 N 1.03 1.07 0.01 3.38 0.00 -1.78 0.19 119.26 123.17 2k2e h ALA 125 Ca 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k2e h ALA 125 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2k2e h ALA 125 CO -0.01 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.89 2k2e h ALA 126 N 1.19 -0.02 -0.63 0.00 0.00 -0.46 -0.92 119.26 118.43 2k2e h ALA 126 Ca 0.25 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2k2e h ALA 126 Cb 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2k2e h ALA 126 CO -0.02 -0.40 0.12 0.00 0.00 0.00 0.00 179.25 178.96 2k2e h ALA 127 N 0.74 1.04 0.02 0.00 0.00 -0.68 0.16 119.26 120.54 2k2e h ALA 127 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k2e h ALA 127 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k2e h ALA 127 CO 0.00 0.62 -0.01 -0.09 0.00 0.00 0.00 179.25 179.77 2k2e h ARG 128 N 0.95 -0.03 -0.40 0.00 2.43 -0.53 -0.05 114.38 116.75 2k2e h ARG 128 Ca 0.20 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 2k2e h ARG 128 Cb 0.38 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2k2e h ARG 128 CO 0.01 -0.02 -0.06 1.15 -1.51 0.00 0.00 179.97 179.54 2k2e h THR 129 N -0.04 1.24 -0.35 0.20 2.02 -0.95 -2.69 112.91 112.34 2k2e h THR 129 Ca -0.00 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.17 2k2e h THR 129 Cb 0.03 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2k2e h THR 129 CO 0.01 0.35 0.20 0.22 0.37 0.00 0.00 175.52 176.66 2k2e h TYR 130 N 0.62 0.37 -0.76 3.16 3.20 -0.24 0.60 116.97 123.92 2k2e h TYR 130 Ca 0.12 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.06 2k2e h TYR 130 Cb 0.48 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 2k2e h TYR 130 CO 0.02 0.21 0.45 -0.91 -1.64 0.00 0.00 178.16 176.30 2k2e h ASN 131 N 0.41 0.69 0.23 -2.11 2.35 -0.74 0.39 115.58 116.80 2k2e h ASN 131 Ca 0.14 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2k2e h ASN 131 Cb 0.01 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2k2e h ASN 131 CO -0.07 0.44 -0.11 0.40 -1.65 0.00 0.00 177.43 176.44 2k2e h ILE 132 N 0.82 0.83 -0.38 2.81 2.04 -1.11 -1.78 117.51 120.74 2k2e h ILE 132 Ca 0.34 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 2k2e h ILE 132 Cb 0.18 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2k2e h ILE 132 CO -0.18 0.08 -0.00 -0.07 0.00 0.00 0.00 178.15 177.98 2k2e h LEU 133 N -0.49 0.57 -0.59 1.44 3.38 -0.53 -1.70 115.31 117.40 2k2e h LEU 133 Ca -0.03 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2k2e h LEU 133 Cb 0.37 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k2e h LEU 133 CO 0.05 0.65 0.08 -0.03 0.09 0.00 0.00 178.44 179.28 2k2e h MET 134 N 0.58 0.98 -0.13 1.13 4.05 -0.20 -1.92 114.93 119.41 2k2e h MET 134 Ca 0.12 -0.27 -0.05 0.00 -0.28 0.00 0.00 59.70 59.23 2k2e h MET 134 Cb 0.37 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 2k2e h MET 134 CO 0.01 0.93 -0.13 0.00 0.23 0.00 0.00 176.91 177.96 2k2e h ALA 135 N 1.01 1.54 0.00 0.39 0.00 -0.69 -0.62 119.26 120.89 2k2e h ALA 135 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k2e h ALA 135 Cb 0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k2e h ALA 135 CO 0.01 0.33 -0.04 0.93 0.00 0.00 0.00 179.25 180.49 2k2e h GLU 136 N 0.20 0.00 -1.68 0.00 5.08 -0.90 -3.47 114.58 113.81 2k2e h GLU 136 Ca 0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2k2e h GLU 136 Cb 0.36 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k2e h GLU 136 CO 0.02 0.04 -0.11 0.41 -1.00 0.00 0.00 179.01 178.37 2k2e n GLY 137 N 0.35 0.68 3.97 -3.84 0.00 -0.24 -5.05 105.19 101.05 2k2e n GLY 137 Ca 0.01 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 2k2e n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k2e s ARG 138 N -5.13 3.26 -1.23 1.61 0.52 -0.82 -5.00 118.95 112.17 2k2e s ARG 138 Ca 0.09 -0.69 -0.20 0.00 -0.52 0.00 0.00 55.73 54.40 2k2e s ARG 138 Cb -0.04 -2.74 -0.00 0.00 0.52 0.00 0.00 34.95 32.68 2k2e s ARG 138 CO 0.11 0.09 1.82 1.03 0.02 0.00 0.00 175.30 178.37 2k2e s ARG 139 N -4.24 3.28 -0.19 3.54 1.81 -1.26 -4.77 118.95 117.12 2k2e s ARG 139 Ca 0.42 -1.55 -0.00 0.00 -1.72 0.00 0.00 55.73 52.88 2k2e s ARG 139 Cb -0.10 -5.39 0.01 0.00 -0.45 0.00 0.00 34.95 29.03 2k2e s ARG 139 CO 0.33 -3.04 -0.16 0.54 -0.68 0.00 0.00 175.30 172.29 2k2e s VAL 140 N 7.39 2.39 -0.13 3.52 0.11 -1.26 -0.91 120.40 131.50 2k2e s VAL 140 Ca 0.60 -0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 2k2e s VAL 140 Cb 0.01 -2.02 -0.03 0.00 -1.53 0.00 0.00 36.38 32.81 2k2e s VAL 140 CO 0.09 0.51 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.63 2k2e s VAL 141 N 1.29 3.77 -0.08 2.04 1.01 -0.79 -4.37 120.40 123.27 2k2e s VAL 141 Ca 0.04 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2k2e s VAL 141 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2k2e s VAL 141 CO -0.10 0.53 -0.21 0.54 0.00 0.00 0.00 175.10 175.86 2k2e s VAL 142 N 0.04 2.41 -0.28 2.92 0.11 -0.58 -0.85 120.40 124.16 2k2e s VAL 142 Ca -0.01 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 2k2e s VAL 142 Cb -0.14 -1.93 0.05 0.00 -1.53 0.00 0.00 36.38 32.84 2k2e s VAL 142 CO 0.03 0.56 -0.05 0.00 -3.33 0.00 0.00 175.10 172.32 2k2e s ALA 143 N -0.04 2.71 -0.27 1.54 0.00 0.56 -1.27 121.76 125.00 2k2e s ALA 143 Ca -0.06 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.03 2k2e s ALA 143 Cb -0.15 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 2k2e s ALA 143 CO 0.05 -1.24 0.17 -0.51 0.00 0.00 0.00 175.76 174.23 2k2e s LEU 144 N 1.19 3.98 -0.41 0.00 1.43 0.83 0.13 118.68 125.83 2k2e s LEU 144 Ca -0.07 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 2k2e s LEU 144 Cb -0.20 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 43.98 2k2e s LEU 144 CO -0.03 -0.03 0.27 -0.76 0.23 0.00 0.00 176.35 176.04 2k2e s LEU 145 N 1.61 5.09 0.21 1.79 1.43 0.24 -1.85 118.68 127.22 2k2e s LEU 145 Ca 0.07 -1.26 -0.26 0.00 -1.03 0.00 0.00 54.13 51.65 2k2e s LEU 145 Cb -0.15 -2.05 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 2k2e s LEU 145 CO 0.09 -0.50 0.83 -2.16 0.23 0.00 0.00 176.35 174.84 2k2e s PRO 146 N 1.53 4.59 0.60 1.29 0.04 -1.26 -3.52 135.00 138.27 2k2e s PRO 146 Ca 0.03 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 2k2e s PRO 146 Cb -0.22 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2k2e s PRO 146 CO 0.05 0.49 1.22 0.34 0.04 0.00 0.00 177.00 179.15 2k2e s ASP 147 N -1.30 5.07 0.00 6.66 -1.08 -1.26 -4.79 116.67 119.98 2k2e s ASP 147 Ca 0.40 2.43 0.00 0.00 -0.52 0.00 0.00 52.55 54.86 2k2e s ASP 147 Cb -0.22 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 2k2e s ASP 147 CO 0.26 -1.68 0.00 0.61 0.52 0.00 0.00 175.17 174.89 2k2e n GLY 148 N 0.58 1.00 3.60 2.66 0.00 -1.26 -5.02 105.19 106.75 2k2e n GLY 148 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2k2e n GLY 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 149 N 0.00 4.44 0.23 1.61 -1.08 -1.26 -5.03 116.67 115.57 2k2e s ASP 149 Ca 0.00 -0.47 0.19 0.00 -0.52 0.00 0.00 52.55 51.75 2k2e s ASP 149 Cb 0.00 -0.84 0.04 0.00 -1.46 0.00 0.00 42.92 40.66 2k2e s ASP 149 CO 0.00 0.12 1.19 0.28 0.52 0.00 0.00 175.17 177.29 2k2e h SER 150 N 3.07 0.00 -3.20 -0.34 0.02 -1.98 -3.47 113.55 107.66 2k2e h SER 150 Ca -0.47 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.01 2k2e h SER 150 Cb 1.19 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 2k2e h SER 150 CO 0.55 0.31 -0.74 -0.76 -1.14 0.00 0.00 176.83 175.04 2k2e s LEU 151 N -5.94 2.54 0.35 5.07 1.43 -1.26 -5.03 118.68 115.84 2k2e s LEU 151 Ca 0.01 -1.00 0.03 0.00 -1.03 0.00 0.00 54.13 52.14 2k2e s LEU 151 Cb 0.08 -0.71 0.64 0.00 0.03 0.00 0.00 46.19 46.23 2k2e s LEU 151 CO 0.76 -0.14 1.99 -0.33 0.23 0.00 0.00 176.35 178.86 2k2e h GLU 152 N 2.64 0.84 -5.49 1.70 5.08 -1.98 -3.40 114.58 113.97 2k2e h GLU 152 Ca -0.39 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.25 2k2e h GLU 152 Cb 1.22 -0.19 -0.33 0.00 0.50 0.00 0.00 28.75 29.96 2k2e h GLU 152 CO 0.60 0.55 -0.88 -1.01 -1.00 0.00 0.00 179.01 177.28 2k2e s HIS 153 N -5.74 2.45 0.02 4.33 3.76 -1.26 -5.00 115.29 113.85 2k2e s HIS 153 Ca -0.10 -0.92 0.28 0.00 -0.15 0.00 0.00 55.06 54.17 2k2e s HIS 153 Cb 0.18 -1.63 1.02 0.00 1.11 0.00 0.00 32.58 33.26 2k2e s HIS 153 CO 0.77 -0.35 1.86 1.25 -0.85 0.00 0.00 174.74 177.42 2k2e h HIS 154 N 6.53 0.00 -3.07 1.40 2.76 -2.03 -3.41 115.15 117.34 2k2e h HIS 154 Ca -0.23 0.00 -0.62 0.00 -2.20 0.00 0.00 60.37 57.31 2k2e h HIS 154 Cb 1.22 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.08 2k2e h HIS 154 CO 0.46 0.09 -0.45 -1.01 -1.30 0.00 0.00 177.93 175.72 2k2e s HIS 155 N -3.57 3.49 0.28 5.26 3.76 -1.26 -5.00 115.29 118.25 2k2e s HIS 155 Ca 0.02 0.46 -0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2k2e s HIS 155 Cb 0.09 -2.12 0.42 0.00 1.11 0.00 0.00 32.58 32.08 2k2e s HIS 155 CO 0.60 0.44 1.91 1.25 -0.85 0.00 0.00 174.74 178.09 2k2e h HIS 156 N 6.06 1.15 -2.87 1.40 2.76 -2.04 -3.32 115.15 118.30 2k2e h HIS 156 Ca -0.46 0.03 -0.57 0.00 -2.20 0.00 0.00 60.37 57.17 2k2e h HIS 156 Cb 1.18 -0.38 -0.40 0.00 1.55 0.00 0.00 27.41 29.36 2k2e h HIS 156 CO 0.64 0.64 -0.79 -1.58 -1.30 0.00 0.00 177.93 175.55 2k2e s HIS 157 N -6.00 1.12 -2.51 5.26 2.46 -1.26 -5.04 115.29 109.32 2k2e s HIS 157 Ca -0.12 -1.61 0.28 0.00 0.47 0.00 0.00 55.06 54.07 2k2e s HIS 157 Cb 0.19 -1.31 1.03 0.00 -0.13 0.00 0.00 32.58 32.37 2k2e s HIS 157 CO 0.81 -0.83 1.73 1.58 -2.47 0.00 0.00 174.74 175.56