#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e n LYS 2 N 0.00 0.53 -1.71 0.03 5.02 -1.26 -4.70 118.16 116.07 2k2e n LYS 2 Ca 0.00 0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 56.09 2k2e n LYS 2 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 2k2e n LYS 2 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k2e n LEU 3 N -4.39 7.24 -0.07 -0.35 4.77 -1.26 -3.52 117.00 119.43 2k2e n LEU 3 Ca -0.23 -4.25 0.00 0.00 -0.03 0.00 0.00 56.01 51.50 2k2e n LEU 3 Cb 0.60 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 2k2e n LEU 3 CO 0.16 1.34 0.20 1.57 -1.33 0.00 0.00 177.39 179.33 2k2e n HIS 4 N 5.32 0.00 -4.08 -1.77 -0.00 -1.26 -5.12 115.22 108.31 2k2e n HIS 4 Ca 0.56 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.59 2k2e n HIS 4 Cb 0.35 0.03 -0.04 0.00 -0.12 0.00 0.00 29.99 30.22 2k2e n HIS 4 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 2k2e n THR 5 N 0.00 0.00 -4.27 3.57 5.66 -1.23 -5.18 114.28 112.83 2k2e n THR 5 Ca 0.00 -1.81 -0.18 0.00 -3.05 0.00 0.00 64.05 59.02 2k2e n THR 5 Cb 0.52 1.05 -0.13 0.00 -1.55 0.00 0.00 70.33 70.22 2k2e n THR 5 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k2e s ASP 6 N -3.06 1.21 0.64 1.09 -1.08 -1.26 -5.02 116.67 109.19 2k2e s ASP 6 Ca 0.30 -0.36 0.31 0.00 -0.52 0.00 0.00 52.55 52.28 2k2e s ASP 6 Cb -0.00 -0.07 1.70 0.00 -1.46 0.00 0.00 42.92 43.08 2k2e s ASP 6 CO 0.21 0.01 2.00 -0.65 0.52 0.00 0.00 175.17 177.26 2k2e h PRO 7 N 5.23 0.00 0.00 4.34 0.11 -2.02 -3.45 132.00 136.20 2k2e h PRO 7 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2k2e h PRO 7 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k2e h PRO 7 CO 0.45 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.24 2k2e n ALA 8 N -2.08 0.00 -2.27 -0.75 0.00 -1.26 -4.83 120.51 109.32 2k2e n ALA 8 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 2k2e n ALA 8 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 2k2e n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k2e s THR 9 N 0.00 3.65 0.04 0.00 -4.23 -1.26 -4.97 115.64 108.86 2k2e s THR 9 Ca 0.00 0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 60.74 2k2e s THR 9 Cb 0.00 -4.25 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 2k2e s THR 9 CO 0.00 -1.05 1.08 0.00 -0.54 0.00 0.00 174.62 174.11 2k2e s ALA 10 N 6.80 3.27 0.06 3.99 0.00 -1.26 -4.92 121.76 129.70 2k2e s ALA 10 Ca 0.58 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 2k2e s ALA 10 Cb -0.12 -3.38 -0.18 0.00 0.00 0.00 0.00 23.12 19.44 2k2e s ALA 10 CO 0.25 -0.31 1.24 -0.07 0.00 0.00 0.00 175.76 176.87 2k2e h LEU 11 N 6.68 0.70 -2.24 0.00 3.38 -1.88 -3.35 115.31 118.60 2k2e h LEU 11 Ca -0.41 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 56.91 2k2e h LEU 11 Cb 1.22 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2k2e h LEU 11 CO 0.77 1.23 -0.82 0.59 0.09 0.00 0.00 178.44 180.30 2k2e n ASN 12 N -4.16 -7.56 -4.41 -0.43 3.02 -1.26 -4.08 115.26 96.38 2k2e n ASN 12 Ca -0.08 1.16 -0.37 0.00 -0.03 0.00 0.00 54.58 55.26 2k2e n ASN 12 Cb 0.64 -5.02 -0.13 0.00 -0.61 0.00 0.00 39.78 34.66 2k2e n ASN 12 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2k2e s THR 13 N -1.71 4.12 -0.58 3.41 2.01 -1.26 -4.93 115.64 116.69 2k2e s THR 13 Ca 0.05 -0.33 -0.27 0.00 0.31 0.00 0.00 61.69 61.45 2k2e s THR 13 Cb -0.01 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2k2e s THR 13 CO 0.72 0.29 1.88 -0.69 -0.69 0.00 0.00 174.62 176.13 2k2e s VAL 14 N 1.57 3.35 -0.12 3.82 1.01 -1.26 -2.97 120.40 125.80 2k2e s VAL 14 Ca 0.05 0.22 0.15 0.00 0.00 0.00 0.00 61.98 62.41 2k2e s VAL 14 Cb -0.15 -3.87 0.06 0.00 0.00 0.00 0.00 36.38 32.42 2k2e s VAL 14 CO 0.02 -0.82 1.46 0.71 0.00 0.00 0.00 175.10 176.48 2k2e h THR 15 N 6.92 0.90 -2.41 3.92 1.35 -1.61 -3.46 112.91 118.53 2k2e h THR 15 Ca -0.26 -2.23 -0.08 0.00 -0.55 0.00 0.00 66.41 63.28 2k2e h THR 15 Cb 1.17 2.41 -0.20 0.00 -1.73 0.00 0.00 68.15 69.81 2k2e h THR 15 CO 1.20 0.51 0.00 0.00 -0.25 0.00 0.00 175.52 176.98 2k2e s ALA 16 N -2.99 -1.38 -0.64 6.62 0.00 -0.49 -5.02 121.76 117.86 2k2e s ALA 16 Ca 0.04 0.95 0.24 0.00 0.00 0.00 0.00 51.96 53.19 2k2e s ALA 16 Cb 0.08 -0.00 0.41 0.00 0.00 0.00 0.00 23.12 23.60 2k2e s ALA 16 CO 0.74 -0.32 1.39 1.88 0.00 0.00 0.00 175.76 179.45 2k2e h TYR 17 N 3.40 0.00 -0.74 0.00 0.05 -1.86 0.35 116.97 118.17 2k2e h TYR 17 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2k2e h TYR 17 Cb 1.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.89 2k2e h TYR 17 CO 0.44 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.96 2k2e n GLY 18 N 1.32 -0.23 2.49 3.88 0.00 -1.23 -4.04 105.19 107.38 2k2e n GLY 18 Ca 0.04 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 2k2e n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 19 N -4.00 2.69 0.00 1.61 2.15 -1.26 -4.77 116.67 113.09 2k2e s ASP 19 Ca 0.00 -2.52 0.00 0.00 0.43 0.00 0.00 52.55 50.46 2k2e s ASP 19 Cb 0.00 -0.52 0.00 0.00 -0.30 0.00 0.00 42.92 42.10 2k2e s ASP 19 CO 0.00 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2k2e n GLY 20 N 3.60 0.49 3.52 2.66 0.00 -1.26 -5.03 105.19 109.18 2k2e n GLY 20 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.19 -0.66 -0.08 1.61 -0.85 -1.26 -4.82 117.35 109.09 2k2e s TYR 21 Ca 0.00 1.22 -0.11 0.00 -0.52 0.00 0.00 57.07 57.66 2k2e s TYR 21 Cb 0.00 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.67 2k2e s TYR 21 CO 0.00 -0.56 0.26 0.42 -1.52 0.00 0.00 175.55 174.14 2k2e s ILE 22 N -0.94 5.30 -0.34 -3.49 1.01 0.19 -3.48 121.20 119.46 2k2e s ILE 22 Ca -0.09 0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 2k2e s ILE 22 Cb -0.01 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.96 2k2e s ILE 22 CO 0.08 0.58 0.10 -0.70 0.00 0.00 0.00 174.94 175.00 2k2e s GLU 23 N -0.86 2.59 -0.21 2.79 -6.30 0.11 0.27 118.70 117.09 2k2e s GLU 23 Ca 0.18 -1.21 -0.00 0.00 -2.50 0.00 0.00 54.97 51.44 2k2e s GLU 23 Cb -0.14 -3.43 0.06 0.00 0.00 0.00 0.00 34.13 30.61 2k2e s GLU 23 CO 0.07 -0.67 -0.03 0.08 0.02 0.00 0.00 175.26 174.73 2k2e s VAL 24 N 1.38 1.18 -1.26 3.70 1.01 0.70 -1.39 120.40 125.72 2k2e s VAL 24 Ca -0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 2k2e s VAL 24 Cb -0.20 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2k2e s VAL 24 CO 0.02 -0.07 0.71 0.59 0.00 0.00 0.00 175.10 176.35 2k2e n ASN 25 N 4.81 -2.31 0.00 3.32 4.13 -1.16 -1.30 115.26 122.76 2k2e n ASN 25 Ca -0.11 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.29 2k2e n ASN 25 Cb 0.46 -3.98 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 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 -4.17 0.00 -3.98 3.52 6.02 -1.26 -4.97 117.38 112.53 2k2e n GLN 26 Ca -0.25 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.39 2k2e n GLN 26 Cb 0.66 -3.17 -0.13 0.00 1.02 0.00 0.00 30.24 28.62 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 -2.99 3.84 -0.40 5.09 1.01 -0.42 -5.07 120.40 121.45 2k2e s VAL 27 Ca 0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2k2e s VAL 27 Cb 0.00 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2k2e s VAL 27 CO 0.00 0.41 0.41 -0.13 0.00 0.00 0.00 175.10 175.79 2k2e s ARG 28 N 1.23 3.20 -0.30 2.72 0.52 -1.26 -0.22 118.95 124.84 2k2e s ARG 28 Ca 0.03 -0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 54.38 2k2e s ARG 28 Cb -0.15 -3.93 -0.02 0.00 0.52 0.00 0.00 34.95 31.38 2k2e s ARG 28 CO 0.01 -0.77 0.49 -0.06 0.02 0.00 0.00 175.30 174.99 2k2e s PHE 29 N 2.08 3.22 -1.33 -0.53 0.08 0.14 -4.90 117.98 116.74 2k2e s PHE 29 Ca 0.12 0.39 0.26 0.00 0.12 0.00 0.00 56.93 57.82 2k2e s PHE 29 Cb -0.17 -2.79 0.76 0.00 -0.57 0.00 0.00 43.02 40.25 2k2e s PHE 29 CO 0.13 -0.39 1.58 0.43 -0.10 0.00 0.00 175.22 176.87 2k2e n SER 30 N 5.59 0.61 -4.59 1.36 7.64 -1.26 -0.64 113.62 122.34 2k2e n SER 30 Ca -0.05 -0.43 -0.24 0.00 1.01 0.00 0.00 58.87 59.16 2k2e n SER 30 Cb 0.50 0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.76 2.53 0.46 1.43 -3.43 -1.26 -4.88 115.29 107.38 2k2e s HIS 31 Ca 0.18 -0.33 -0.23 0.00 -0.80 0.00 0.00 55.06 53.88 2k2e s HIS 31 Cb 0.19 -1.23 -0.07 0.00 -1.43 0.00 0.00 32.58 30.03 2k2e s HIS 31 CO 0.59 0.60 1.23 0.00 -2.00 0.00 0.00 174.74 175.17 2k2e s ALA 32 N -2.44 3.01 0.02 -1.38 0.00 -1.12 -4.86 121.76 114.98 2k2e s ALA 32 Ca 0.32 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2k2e s ALA 32 Cb -0.04 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2k2e s ALA 32 CO 0.18 -0.82 -0.04 0.96 0.00 0.00 0.00 175.76 176.04 2k2e s ILE 33 N -1.43 0.19 -0.19 0.00 -4.36 -1.01 0.06 121.20 114.46 2k2e s ILE 33 Ca 0.63 -0.75 -0.01 0.00 -0.26 0.00 0.00 60.65 60.27 2k2e s ILE 33 Cb -0.33 -0.29 0.05 0.00 1.25 0.00 0.00 42.46 43.14 2k2e s ILE 33 CO 0.40 -0.36 -0.03 0.00 0.24 0.00 0.00 174.94 175.19 2k2e s ALA 34 N -1.12 1.54 0.09 2.27 0.00 0.34 -0.15 121.76 124.73 2k2e s ALA 34 Ca -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2k2e s ALA 34 Cb -0.08 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 2k2e s ALA 34 CO -0.01 -0.99 0.00 -0.59 0.00 0.00 0.00 175.76 174.17 2k2e s PHE 35 N 1.60 0.72 0.05 0.00 -0.71 -0.02 0.28 117.98 119.89 2k2e s PHE 35 Ca -0.02 -1.12 -0.00 0.00 -1.04 0.00 0.00 56.93 54.75 2k2e s PHE 35 Cb -0.17 -0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 2k2e s PHE 35 CO -0.07 -0.41 -0.04 0.00 -1.34 0.00 0.00 175.22 173.37 2k2e s ALA 36 N -3.93 0.45 -2.00 1.99 0.00 -1.21 -0.75 121.76 116.30 2k2e s ALA 36 Ca 0.15 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2k2e s ALA 36 Cb 0.07 0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.49 2k2e s ALA 36 CO -0.04 -0.28 0.99 -2.30 0.00 0.00 0.00 175.76 174.12 2k2e n PRO 37 N 0.60 0.93 -0.59 0.00 -0.02 -1.26 -2.68 135.00 131.99 2k2e n PRO 37 Ca -0.17 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2k2e n PRO 37 Cb 0.59 -1.02 -0.00 0.00 -0.02 0.00 0.00 33.50 33.04 2k2e n PRO 37 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k2e n GLU 38 N -0.52 0.00 -1.79 -0.52 2.13 -1.26 -4.06 120.64 114.63 2k2e n GLU 38 Ca 0.01 -0.51 0.00 0.00 0.66 0.00 0.00 57.16 57.32 2k2e n GLU 38 Cb 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 31.44 31.59 2k2e n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k2e n GLY 39 N 0.03 3.74 3.96 8.31 0.00 -1.09 -5.02 105.19 115.12 2k2e n GLY 39 Ca -0.02 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 2k2e n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2e s PRO 40 N -1.91 1.40 -0.37 1.61 0.04 -1.26 -4.47 135.00 130.04 2k2e s PRO 40 Ca 0.00 -0.73 -0.04 0.00 0.04 0.00 0.00 61.00 60.27 2k2e s PRO 40 Cb 0.00 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.48 2k2e s PRO 40 CO 0.00 -1.75 0.14 0.08 0.04 0.00 0.00 177.00 175.51 2k2e s VAL 41 N -3.42 3.34 0.31 -0.36 1.01 -1.26 -3.34 120.40 116.69 2k2e s VAL 41 Ca 0.68 -1.69 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 2k2e s VAL 41 Cb -0.06 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 2k2e s VAL 41 CO 0.47 -0.45 0.65 0.00 0.00 0.00 0.00 175.10 175.78 2k2e s ALA 42 N 1.23 3.47 -0.13 5.51 0.00 0.14 -4.90 121.76 127.08 2k2e s ALA 42 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 2k2e s ALA 42 Cb -0.22 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 2k2e s ALA 42 CO -0.02 0.27 -0.03 -1.12 0.00 0.00 0.00 175.76 174.86 2k2e s SER 43 N -2.74 4.85 -0.16 0.00 0.01 -1.26 -0.50 113.70 113.89 2k2e s SER 43 Ca 0.49 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.66 2k2e s SER 43 Cb -0.11 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.45 2k2e s SER 43 CO 0.25 0.22 -0.10 0.26 0.41 0.00 0.00 173.24 174.29 2k2e s TRP 44 N 0.03 2.88 -2.00 2.43 0.52 0.11 -4.95 118.94 117.96 2k2e s TRP 44 Ca 0.01 -0.73 0.05 0.00 0.02 0.00 0.00 56.10 55.44 2k2e s TRP 44 Cb -0.13 -1.94 0.15 0.00 -1.15 0.00 0.00 33.47 30.40 2k2e s TRP 44 CO 0.03 -0.31 1.12 -0.35 0.02 0.00 0.00 176.95 177.45 2k2e n PRO 45 N 3.94 1.29 -3.13 4.98 -0.05 -1.26 -2.79 135.00 137.97 2k2e n PRO 45 Ca -0.18 -0.45 -0.39 0.00 -0.05 0.00 0.00 63.50 62.43 2k2e n PRO 45 Cb 0.52 -1.11 -0.06 0.00 -0.05 0.00 0.00 33.50 32.80 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2k2e s VAL 46 N -1.84 4.56 0.00 0.52 1.01 -1.26 -4.96 120.40 118.43 2k2e s VAL 46 Ca 0.09 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2k2e s VAL 46 Cb 0.05 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2k2e s VAL 46 CO 0.06 0.54 0.00 0.00 0.00 0.00 0.00 175.10 175.70 2k2e n GLN 47 N 1.66 2.38 -4.19 2.72 6.02 -1.26 -4.53 117.38 120.18 2k2e n GLN 47 Ca -0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.60 2k2e n GLN 47 Cb 0.50 -0.98 -0.08 0.00 1.02 0.00 0.00 30.24 30.70 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 -1.95 2.69 0.00 -1.09 0.52 -1.26 -4.83 118.95 113.02 2k2e s ARG 48 Ca 0.00 -0.72 0.15 0.00 -0.52 0.00 0.00 55.73 54.64 2k2e s ARG 48 Cb 0.00 -2.62 0.77 0.00 0.52 0.00 0.00 34.95 33.62 2k2e s ARG 48 CO 0.00 0.58 1.44 -2.30 0.02 0.00 0.00 175.30 175.04 2k2e n PRO 49 N 0.92 0.20 0.10 3.54 -0.02 -1.26 -2.30 135.00 136.19 2k2e n PRO 49 Ca -0.12 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.62 2k2e n PRO 49 Cb 0.52 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.51 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e h ALA 50 N 2.71 0.51 0.00 3.55 0.00 -1.96 -3.33 119.26 120.74 2k2e h ALA 50 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2e h ALA 50 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k2e h ALA 50 CO 0.00 0.00 -0.31 -0.44 0.00 0.00 0.00 179.25 178.50 2k2e h ASP 51 N 0.00 0.00 -2.35 0.00 3.32 -1.88 -3.46 116.42 112.05 2k2e h ASP 51 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2k2e h ASP 51 Cb 0.98 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.54 2k2e h ASP 51 CO 0.00 0.02 1.27 -0.63 -1.72 0.00 0.00 179.24 178.18 2k2e s ILE 52 N -3.24 3.16 0.41 0.35 1.01 -1.25 -4.99 121.20 116.65 2k2e s ILE 52 Ca 0.05 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.96 2k2e s ILE 52 Cb 0.06 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2k2e s ILE 52 CO 0.71 -0.05 0.18 0.42 0.00 0.00 0.00 174.94 176.20 2k2e s THR 53 N 5.45 2.38 0.39 2.92 -4.23 -1.26 -5.01 115.64 116.28 2k2e s THR 53 Ca 0.88 -1.69 0.06 0.00 -1.18 0.00 0.00 61.69 59.76 2k2e s THR 53 Cb -0.37 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.74 2k2e s THR 53 CO 0.37 -0.02 2.04 0.00 -0.54 0.00 0.00 174.62 176.47 2k2e h ALA 54 N 1.43 1.65 -0.35 3.99 0.00 -1.94 -1.38 119.26 122.65 2k2e h ALA 54 Ca -0.43 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2k2e h ALA 54 Cb 1.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2k2e h ALA 54 CO 0.69 0.32 0.20 0.77 0.00 0.00 0.00 179.25 181.23 2k2e h SER 55 N 0.63 0.32 0.00 0.00 0.02 -1.95 -0.45 113.55 112.11 2k2e h SER 55 Ca 0.17 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 2k2e h SER 55 Cb -0.05 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2k2e h SER 55 CO -0.03 0.23 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.58 2k2e h LEU 56 N 0.41 0.40 -0.68 5.07 3.38 -1.79 -2.42 115.31 119.68 2k2e h LEU 56 Ca 0.14 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2k2e h LEU 56 Cb 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2k2e h LEU 56 CO -0.07 0.65 0.19 -0.07 0.09 0.00 0.00 178.44 179.24 2k2e h LEU 57 N 0.36 1.00 -1.37 1.67 3.38 -0.70 0.12 115.31 119.77 2k2e h LEU 57 Ca 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2k2e h LEU 57 Cb 0.63 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2k2e h LEU 57 CO 0.04 0.95 0.04 1.56 0.09 0.00 0.00 178.44 181.13 2k2e h GLN 58 N 0.99 0.46 -0.07 1.13 4.20 -0.66 -0.06 115.11 121.10 2k2e h GLN 58 Ca 0.22 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.70 2k2e h GLN 58 Cb 0.32 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.03 2k2e h GLN 58 CO -0.00 0.46 -0.53 1.96 -0.67 0.00 0.00 178.83 180.04 2k2e h GLN 59 N 0.45 0.49 0.00 1.46 4.20 -1.04 -3.28 115.11 117.39 2k2e h GLN 59 Ca 0.10 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 2k2e h GLN 59 Cb 0.23 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2k2e h GLN 59 CO 0.00 1.06 -0.12 0.00 -0.67 0.00 0.00 178.83 179.10 2k2e h ALA 60 N 0.43 1.23 0.00 3.87 0.00 -0.24 -1.68 119.26 122.86 2k2e h ALA 60 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k2e h ALA 60 Cb 1.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k2e h ALA 60 CO 0.11 0.15 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 2k2e h ALA 61 N 1.88 1.09 -4.40 0.00 0.00 -1.08 -3.46 119.26 113.29 2k2e h ALA 61 Ca -0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2k2e h ALA 61 Cb 0.38 -0.01 0.10 0.00 0.00 0.00 0.00 17.79 18.26 2k2e h ALA 61 CO 0.02 0.08 -0.49 0.41 0.00 0.00 0.00 179.25 179.27 2k2e n GLY 62 N -0.39 -0.09 0.94 0.00 0.00 -0.63 -4.74 105.19 100.27 2k2e n GLY 62 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.50 2.61 -3.69 0.99 4.77 -1.26 -4.70 117.00 112.22 2k2e n LEU 63 Ca -0.05 -1.32 -0.16 0.00 -0.03 0.00 0.00 56.01 54.44 2k2e n LEU 63 Cb 0.56 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 2k2e n LEU 63 CO 0.44 0.44 -0.24 0.00 -1.33 0.00 0.00 177.39 176.70 2k2e s ALA 64 N -0.85 -0.16 -0.53 -1.18 0.00 -1.26 -5.11 121.76 112.67 2k2e s ALA 64 Ca 0.08 0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.37 2k2e s ALA 64 Cb 0.06 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.54 2k2e s ALA 64 CO 0.02 -0.43 0.90 -1.21 0.00 0.00 0.00 175.76 175.04 2k2e s GLU 65 N 1.92 3.34 -0.70 0.00 2.02 -1.26 -4.99 118.70 119.03 2k2e s GLU 65 Ca -0.01 -0.26 -0.26 0.00 0.02 0.00 0.00 54.97 54.47 2k2e s GLU 65 Cb -0.12 -4.03 0.04 0.00 0.10 0.00 0.00 34.13 30.12 2k2e s GLU 65 CO -0.06 -1.40 1.17 0.08 0.02 0.00 0.00 175.26 175.07 2k2e s VAL 66 N 3.75 3.94 0.27 2.63 1.01 -1.26 -4.99 120.40 125.76 2k2e s VAL 66 Ca 0.30 0.20 0.12 0.00 0.00 0.00 0.00 61.98 62.59 2k2e s VAL 66 Cb -0.13 -4.83 -0.05 0.00 0.00 0.00 0.00 36.38 31.38 2k2e s VAL 66 CO 0.20 -1.68 -0.20 0.54 0.00 0.00 0.00 175.10 173.96 2k2e s VAL 67 N 5.13 2.43 -1.53 2.92 0.11 -1.26 -5.03 120.40 123.17 2k2e s VAL 67 Ca 0.31 -2.40 0.26 0.00 -2.93 0.00 0.00 61.98 57.23 2k2e s VAL 67 Cb -0.11 -2.28 0.21 0.00 -1.53 0.00 0.00 36.38 32.67 2k2e s VAL 67 CO 0.14 -0.41 1.56 0.54 -3.33 0.00 0.00 175.10 173.60 2k2e n ARG 68 N -0.60 0.58 -3.99 1.54 1.74 -1.26 -4.65 116.66 110.02 2k2e n ARG 68 Ca -0.05 -0.33 -0.31 0.00 -0.77 0.00 0.00 57.85 56.39 2k2e n ARG 68 Cb 0.60 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.40 2k2e n ARG 68 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k2e s ASP 69 N -2.64 4.64 0.00 0.55 2.15 -1.26 -4.94 116.67 115.16 2k2e s ASP 69 Ca 0.21 -2.01 0.18 0.00 0.43 0.00 0.00 52.55 51.36 2k2e s ASP 69 Cb 0.19 -1.53 0.64 0.00 -0.30 0.00 0.00 42.92 41.92 2k2e s ASP 69 CO 0.57 -0.36 1.47 -0.81 -0.17 0.00 0.00 175.17 175.86 2k2e n PRO 70 N 4.34 1.72 -0.02 4.34 -0.04 -1.26 -4.05 135.00 140.04 2k2e n PRO 70 Ca 0.01 -1.10 -0.22 0.00 -0.04 0.00 0.00 63.50 62.16 2k2e n PRO 70 Cb 0.42 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 2k2e n PRO 70 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2k2e h LEU 71 N 2.09 0.33 -3.27 1.53 3.38 -1.99 -3.49 115.31 113.88 2k2e h LEU 71 Ca 0.00 -0.84 -0.32 0.00 0.09 0.00 0.00 57.88 56.81 2k2e h LEU 71 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k2e h LEU 71 CO 0.00 1.75 -0.82 0.00 0.09 0.00 0.00 178.44 179.46 2k2e n ALA 72 N -3.09 -2.66 0.18 1.53 0.00 -1.26 -4.88 120.51 110.33 2k2e n ALA 72 Ca -0.31 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.21 2k2e n ALA 72 Cb 0.95 -1.47 0.30 0.00 0.00 0.00 0.00 19.45 19.22 2k2e n ALA 72 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2k2e h PHE 73 N 0.57 0.00 0.00 0.00 0.04 -1.95 -2.56 116.94 113.03 2k2e h PHE 73 Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2k2e h PHE 73 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 2k2e h PHE 73 CO 0.17 0.43 0.00 1.28 -0.60 0.00 0.00 178.31 179.59 2k2e n LEU 74 N -3.60 0.49 -4.66 1.54 4.77 -1.26 -4.71 117.00 109.57 2k2e n LEU 74 Ca -0.00 0.56 -0.36 0.00 -0.03 0.00 0.00 56.01 56.18 2k2e n LEU 74 Cb 0.53 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2k2e n LEU 74 CO 0.38 -0.20 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.44 2k2e s ASP 75 N -3.91 6.06 0.19 -1.43 2.15 -0.97 -5.07 116.67 113.70 2k2e s ASP 75 Ca 0.10 0.11 -0.30 0.00 0.43 0.00 0.00 52.55 52.90 2k2e s ASP 75 Cb 0.13 -2.09 -0.08 0.00 -0.30 0.00 0.00 42.92 40.59 2k2e s ASP 75 CO 0.51 0.08 1.10 -1.61 -0.17 0.00 0.00 175.17 175.09 2k2e s GLU 76 N 0.94 4.59 -0.82 4.34 2.02 -1.26 -4.86 118.70 123.66 2k2e s GLU 76 Ca 0.07 1.73 -0.20 0.00 0.02 0.00 0.00 54.97 56.60 2k2e s GLU 76 Cb -0.13 -3.27 -0.19 0.00 0.10 0.00 0.00 34.13 30.64 2k2e s GLU 76 CO 0.03 0.08 2.16 -0.35 0.02 0.00 0.00 175.26 177.21 2k2e n PRO 77 N 2.24 0.29 -3.46 0.39 -0.04 -1.26 -4.80 135.00 128.36 2k2e n PRO 77 Ca 0.02 -0.77 -0.28 0.00 -0.04 0.00 0.00 63.50 62.43 2k2e n PRO 77 Cb 0.46 -2.92 -0.12 0.00 -0.04 0.00 0.00 33.50 30.87 2k2e n PRO 77 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k2e s GLU 78 N 8.07 0.50 -0.81 0.54 0.41 -1.26 -5.05 118.70 121.10 2k2e s GLU 78 Ca 0.90 -1.18 -0.24 0.00 -0.41 0.00 0.00 54.97 54.04 2k2e s GLU 78 Cb -0.25 -1.24 0.05 0.00 -1.78 0.00 0.00 34.13 30.91 2k2e s GLU 78 CO 0.20 -1.18 1.24 0.00 -0.49 0.00 0.00 175.26 175.03 2k2e s ALA 79 N 1.24 2.88 0.00 5.21 0.00 -1.26 -4.14 121.76 125.69 2k2e s ALA 79 Ca 0.17 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2k2e s ALA 79 Cb -0.22 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.68 2k2e s ALA 79 CO -0.04 -3.24 0.00 0.41 0.00 0.00 0.00 175.76 172.89 2k2e n GLY 80 N 5.77 1.73 0.22 0.00 0.00 -1.26 -4.52 105.19 107.12 2k2e n GLY 80 Ca 0.11 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.16 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e h ALA 81 N 0.00 1.00 -0.49 4.61 0.00 -2.02 -3.09 119.26 119.28 2k2e h ALA 81 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2k2e h ALA 81 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 2k2e h ALA 81 CO 0.00 0.00 0.42 0.41 0.00 0.00 0.00 179.25 180.08 2k2e n GLY 82 N 0.18 4.08 3.78 0.00 0.00 -1.26 -4.86 105.19 107.11 2k2e n GLY 82 Ca 0.02 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e s ALA 83 N -1.86 -0.87 0.24 4.61 0.00 -1.17 -4.99 121.76 117.73 2k2e s ALA 83 Ca 0.32 -0.54 0.11 0.00 0.00 0.00 0.00 51.96 51.85 2k2e s ALA 83 Cb 0.25 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 24.21 2k2e s ALA 83 CO -0.00 -0.98 -0.21 1.03 0.00 0.00 0.00 175.76 175.60 2k2e s ARG 84 N -3.68 1.58 0.00 0.00 1.81 -1.26 -5.01 118.95 112.38 2k2e s ARG 84 Ca 0.15 -1.65 0.00 0.00 -1.72 0.00 0.00 55.73 52.51 2k2e s ARG 84 Cb -0.04 -1.75 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 2k2e s ARG 84 CO 0.09 0.35 0.47 -0.35 -0.68 0.00 0.00 175.30 175.17 2k2e n PRO 85 N -0.22 0.52 0.19 3.54 -0.04 -1.26 -2.75 135.00 134.98 2k2e n PRO 85 Ca -0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.51 2k2e n PRO 85 Cb 0.58 -1.05 0.41 0.00 -0.04 0.00 0.00 33.50 33.40 2k2e n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e h ALA 86 N 1.93 1.00 -0.07 0.55 0.00 -1.95 -2.68 119.26 118.04 2k2e h ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2e h ALA 86 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k2e h ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2k2e n ASN 87 N -2.76 1.16 -4.95 0.00 4.13 -1.11 -4.88 115.26 106.85 2k2e n ASN 87 Ca 0.03 -1.51 -0.23 0.00 1.68 0.00 0.00 54.58 54.55 2k2e n ASN 87 Cb 0.40 -0.04 -0.01 0.00 -1.54 0.00 0.00 39.78 38.58 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k2e s ALA 88 N -1.92 3.75 0.30 5.41 0.00 -1.01 -5.05 121.76 123.24 2k2e s ALA 88 Ca 0.36 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 2k2e s ALA 88 Cb 0.19 -2.02 -0.13 0.00 0.00 0.00 0.00 23.12 21.15 2k2e s ALA 88 CO 0.29 0.06 1.21 -2.30 0.00 0.00 0.00 175.76 175.02 2k2e n PRO 89 N -1.65 1.83 0.02 0.00 -0.02 -1.26 -4.93 135.00 128.99 2k2e n PRO 89 Ca -0.06 0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 2k2e n PRO 89 Cb 0.56 -2.16 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 2k2e n PRO 89 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2k2e h GLU 90 N 2.64 0.22 -3.37 -0.52 4.81 -1.38 -3.38 114.58 113.59 2k2e h GLU 90 Ca -0.44 -0.38 -0.20 0.00 -0.13 0.00 0.00 59.36 58.21 2k2e h GLU 90 Cb 1.30 0.14 -0.28 0.00 0.63 0.00 0.00 28.75 30.55 2k2e h GLU 90 CO 0.64 1.06 -0.57 0.54 -0.73 0.00 0.00 179.01 179.95 2k2e s VAL 91 N -2.58 -0.01 -0.22 0.32 0.11 -0.46 -1.03 120.40 116.53 2k2e s VAL 91 Ca -0.15 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2k2e s VAL 91 Cb 0.07 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.72 2k2e s VAL 91 CO 0.81 0.01 -0.09 -0.22 -3.33 0.00 0.00 175.10 172.29 2k2e s LEU 92 N 0.29 2.77 -0.26 2.54 2.96 0.16 -0.71 118.68 126.44 2k2e s LEU 92 Ca -0.02 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2k2e s LEU 92 Cb -0.03 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2k2e s LEU 92 CO -0.01 -0.04 0.08 -0.76 -1.32 0.00 0.00 176.35 174.29 2k2e s LEU 93 N 1.39 3.51 -0.23 -0.68 1.43 0.86 -1.27 118.68 123.68 2k2e s LEU 93 Ca 0.04 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2k2e s LEU 93 Cb -0.14 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2k2e s LEU 93 CO -0.06 -0.05 0.05 -0.69 0.23 0.00 0.00 176.35 175.83 2k2e s VAL 94 N 1.61 4.25 -0.48 -1.59 1.01 -0.30 -0.30 120.40 124.61 2k2e s VAL 94 Ca 0.06 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 2k2e s VAL 94 Cb -0.15 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.31 2k2e s VAL 94 CO 0.04 0.37 0.50 -0.83 0.00 0.00 0.00 175.10 175.18 2k2e s GLY 95 N 1.39 1.90 -0.01 4.51 0.00 0.11 0.02 107.32 115.23 2k2e s GLY 95 Ca 0.05 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 42.98 2k2e s GLY 95 CO 0.03 1.26 0.97 -1.30 0.00 0.00 0.00 173.10 174.06 2k2e n THR 96 N 5.43 0.28 0.00 0.90 -2.24 -0.36 -1.66 114.28 116.63 2k2e n THR 96 Ca -0.09 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2k2e n THR 96 Cb 0.45 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2k2e n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2e n GLY 97 N 0.51 1.42 0.17 3.38 0.00 -1.26 -3.85 105.19 105.56 2k2e n GLY 97 Ca 0.05 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2k2e n GLY 97 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k2e h ARG 98 N 0.00 0.52 -3.52 1.61 3.08 -1.92 -3.40 114.38 110.75 2k2e h ARG 98 Ca 0.00 -0.09 -0.21 0.00 0.07 0.00 0.00 59.98 59.76 2k2e h ARG 98 Cb 0.00 -0.09 -0.27 0.00 0.08 0.00 0.00 29.97 29.69 2k2e h ARG 98 CO 0.00 0.50 -0.61 1.03 -1.07 0.00 0.00 179.97 179.81 2k2e s ARG 99 N -5.60 0.11 -0.66 0.04 0.52 -1.25 -5.08 118.95 107.03 2k2e s ARG 99 Ca -0.13 0.11 -0.26 0.00 -0.52 0.00 0.00 55.73 54.93 2k2e s ARG 99 Cb 0.09 0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.57 2k2e s ARG 99 CO 0.74 -0.01 2.09 -1.14 0.02 0.00 0.00 175.30 176.99 2k2e s GLN 100 N 0.01 2.35 -0.56 3.54 0.74 -1.26 -4.61 119.66 119.87 2k2e s GLN 100 Ca -0.00 0.61 -0.16 0.00 0.05 0.00 0.00 55.36 55.86 2k2e s GLN 100 Cb -0.01 -4.63 0.13 0.00 1.10 0.00 0.00 33.01 29.61 2k2e s GLN 100 CO 0.00 -3.22 0.53 -1.58 -0.55 0.00 0.00 175.29 170.47 2k2e s HIS 101 N 10.79 3.24 0.34 1.67 5.65 -1.26 -4.99 115.29 130.73 2k2e s HIS 101 Ca 0.79 -1.28 -0.29 0.00 0.25 0.00 0.00 55.06 54.53 2k2e s HIS 101 Cb -0.13 -3.82 -0.11 0.00 -1.18 0.00 0.00 32.58 27.34 2k2e s HIS 101 CO 0.16 -1.05 1.53 -0.51 -0.65 0.00 0.00 174.74 174.22 2k2e s LEU 102 N 1.67 4.33 0.00 8.88 1.43 -1.26 -4.83 118.68 128.91 2k2e s LEU 102 Ca 0.04 3.00 -0.15 0.00 -1.03 0.00 0.00 54.13 55.99 2k2e s LEU 102 Cb -0.29 -3.65 0.21 0.00 0.03 0.00 0.00 46.19 42.49 2k2e s LEU 102 CO 0.03 -0.89 1.14 0.18 0.23 0.00 0.00 176.35 177.04 2k2e n LEU 103 N 1.22 0.00 -4.75 1.79 4.77 -1.26 -5.06 117.00 113.72 2k2e n LEU 103 Ca 0.04 -1.24 -0.31 0.00 -0.03 0.00 0.00 56.01 54.46 2k2e n LEU 103 Cb 0.38 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.50 2k2e n LEU 103 CO 0.64 -1.47 -0.28 -0.83 -1.33 0.00 0.00 177.39 174.11 2k2e s GLY 104 N -5.33 1.98 0.27 -0.72 0.00 -1.26 -5.01 107.32 97.25 2k2e s GLY 104 Ca 0.66 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 2k2e s GLY 104 CO 0.47 -0.91 1.83 -0.56 0.00 0.00 0.00 173.10 173.94 2k2e h PRO 105 N 3.72 0.93 0.00 2.90 0.13 -1.99 -1.11 132.00 136.58 2k2e h PRO 105 Ca -0.48 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 2k2e h PRO 105 Cb 1.17 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2k2e h PRO 105 CO 0.62 0.62 -0.20 0.93 -0.23 0.00 0.00 178.00 179.74 2k2e h GLU 106 N 0.96 0.00 -0.05 0.86 5.08 -2.01 -1.71 114.58 117.71 2k2e h GLU 106 Ca 0.46 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2k2e h GLU 106 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2k2e h GLU 106 CO -0.25 0.20 -0.88 1.96 -1.00 0.00 0.00 179.01 179.04 2k2e h GLN 107 N 0.00 0.56 -0.00 2.33 4.20 -1.62 -3.30 115.11 117.29 2k2e h GLN 107 Ca -0.00 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.17 2k2e h GLN 107 Cb 0.41 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2k2e h GLN 107 CO 0.03 1.16 -0.47 1.33 -0.67 0.00 0.00 178.83 180.21 2k2e n VAL 108 N -3.83 0.00 -0.10 -0.54 0.24 -0.94 -4.32 118.33 108.84 2k2e n VAL 108 Ca -0.07 -0.07 -0.05 0.00 -2.04 0.00 0.00 64.34 62.10 2k2e n VAL 108 Cb 0.80 0.48 0.02 0.00 -1.47 0.00 0.00 33.84 33.66 2k2e n VAL 108 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2k2e h ARG 109 N 0.66 0.08 -0.98 7.34 3.08 -1.40 0.25 114.38 123.40 2k2e h ARG 109 Ca 0.00 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 2k2e h ARG 109 Cb 0.52 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.47 2k2e h ARG 109 CO 0.00 0.05 0.62 -1.35 -1.07 0.00 0.00 179.97 178.22 2k2e h PRO 110 N 0.08 0.85 0.13 0.04 0.11 -1.81 0.66 132.00 132.05 2k2e h PRO 110 Ca 0.18 -0.05 -0.30 0.00 0.11 0.00 0.00 66.00 65.94 2k2e h PRO 110 Cb 0.25 -0.19 0.03 0.00 0.11 0.00 0.00 31.00 31.19 2k2e h PRO 110 CO -0.31 0.56 -1.25 -0.07 -0.21 0.00 0.00 178.00 176.72 2k2e h LEU 111 N 0.88 0.81 -1.52 2.35 3.38 -1.59 -3.14 115.31 116.47 2k2e h LEU 111 Ca 0.51 -0.76 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2k2e h LEU 111 Cb 0.64 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2k2e h LEU 111 CO -0.28 1.57 0.02 -0.07 0.09 0.00 0.00 178.44 179.77 2k2e h LEU 112 N 0.24 0.30 -1.26 1.67 3.38 -0.03 0.16 115.31 119.77 2k2e h LEU 112 Ca -0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2k2e h LEU 112 Cb 1.93 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 2k2e h LEU 112 CO 0.23 0.34 0.12 0.00 0.09 0.00 0.00 178.44 179.22 2k2e h ALA 113 N 1.71 1.41 0.11 1.53 0.00 -0.85 -2.55 119.26 120.62 2k2e h ALA 113 Ca 0.08 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 2k2e h ALA 113 Cb 0.19 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k2e h ALA 113 CO 0.00 0.43 -1.21 0.52 0.00 0.00 0.00 179.25 178.99 2k2e h MET 114 N 0.62 0.56 0.00 0.00 2.86 -1.23 -3.48 114.93 114.26 2k2e h MET 114 Ca 0.14 -0.75 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 2k2e h MET 114 Cb 0.21 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2k2e h MET 114 CO -0.01 1.33 0.00 0.41 1.06 0.00 0.00 176.91 179.71 2k2e n GLY 115 N 1.34 0.88 3.58 8.32 0.00 0.05 -4.89 105.19 114.48 2k2e n GLY 115 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.34 4.90 0.01 1.61 1.01 0.36 -4.76 120.40 122.18 2k2e s VAL 116 Ca 0.00 0.72 -0.26 0.00 0.00 0.00 0.00 61.98 62.44 2k2e s VAL 116 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2k2e s VAL 116 CO 0.00 -0.25 0.80 -0.83 0.00 0.00 0.00 175.10 174.82 2k2e s GLY 117 N 1.73 2.78 -0.14 4.51 0.00 -0.20 -3.44 107.32 112.57 2k2e s GLY 117 Ca 0.25 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.30 2k2e s GLY 117 CO 0.14 1.26 -0.19 0.14 0.00 0.00 0.00 173.10 174.45 2k2e s VAL 118 N 0.42 1.88 -0.05 1.40 1.01 -1.26 0.40 120.40 124.21 2k2e s VAL 118 Ca 0.41 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2k2e s VAL 118 Cb -0.20 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2k2e s VAL 118 CO 0.23 0.51 -0.10 -1.61 0.00 0.00 0.00 175.10 174.13 2k2e s GLU 119 N 0.98 1.33 -0.19 2.72 2.02 -0.39 -4.98 118.70 120.18 2k2e s GLU 119 Ca -0.04 -0.33 -0.07 0.00 0.02 0.00 0.00 54.97 54.55 2k2e s GLU 119 Cb -0.15 -1.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 2k2e s GLU 119 CO -0.04 0.04 0.06 0.00 0.02 0.00 0.00 175.26 175.34 2k2e s ALA 120 N 0.56 3.36 0.06 5.21 0.00 -1.26 -1.15 121.76 128.54 2k2e s ALA 120 Ca -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2k2e s ALA 120 Cb -0.13 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.05 2k2e s ALA 120 CO 0.02 0.10 0.08 -1.33 0.00 0.00 0.00 175.76 174.62 2k2e n MET 121 N 3.71 0.11 -1.43 0.00 2.81 0.10 -4.64 117.12 117.78 2k2e n MET 121 Ca -0.16 -0.57 -0.33 0.00 -1.81 0.00 0.00 57.70 54.83 2k2e n MET 121 Cb 0.52 0.51 0.08 0.00 -0.71 0.00 0.00 33.22 33.63 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 4.44 0.21 7.83 1.11 -1.26 -1.23 116.67 126.34 2k2e s ASP 122 Ca 0.06 2.10 -0.10 0.00 0.18 0.00 0.00 52.55 54.80 2k2e s ASP 122 Cb 0.00 -2.56 0.20 0.00 1.07 0.00 0.00 42.92 41.63 2k2e s ASP 122 CO 0.05 -2.09 1.83 0.74 1.18 0.00 0.00 175.17 176.88 2k2e h THR 123 N -0.52 1.04 -0.44 -1.27 2.02 -1.80 0.24 112.91 112.19 2k2e h THR 123 Ca -0.46 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 2k2e h THR 123 Cb 1.26 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2k2e h THR 123 CO 0.51 0.14 -0.23 1.56 0.37 0.00 0.00 175.52 177.86 2k2e h GLN 124 N 0.77 0.93 -0.51 6.66 4.20 -1.93 -1.54 115.11 123.69 2k2e h GLN 124 Ca 0.28 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 2k2e h GLN 124 Cb 0.09 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2k2e h GLN 124 CO -0.14 1.08 0.00 0.00 -0.67 0.00 0.00 178.83 179.10 2k2e h ALA 125 N 0.83 0.69 -0.18 3.87 0.00 -1.79 -0.06 119.26 122.63 2k2e h ALA 125 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2k2e h ALA 125 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k2e h ALA 125 CO 0.07 0.50 0.02 0.00 0.00 0.00 0.00 179.25 179.84 2k2e h ALA 126 N 0.94 0.23 -0.70 0.00 0.00 -0.50 -1.73 119.26 117.51 2k2e h ALA 126 Ca 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2k2e h ALA 126 Cb 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2k2e h ALA 126 CO 0.03 -0.09 0.19 0.00 0.00 0.00 0.00 179.25 179.38 2k2e h ALA 127 N 0.81 0.92 0.01 0.00 0.00 -1.19 0.12 119.26 119.94 2k2e h ALA 127 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k2e h ALA 127 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k2e h ALA 127 CO 0.00 0.62 -0.01 -0.09 0.00 0.00 0.00 179.25 179.78 2k2e h ARG 128 N 1.04 -0.02 -0.47 0.00 2.43 -0.97 -0.92 114.38 115.48 2k2e h ARG 128 Ca 0.22 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2k2e h ARG 128 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2k2e h ARG 128 CO -0.00 0.16 0.11 1.15 -1.51 0.00 0.00 179.97 179.88 2k2e h THR 129 N -0.19 1.20 -0.56 0.20 2.02 -1.18 -1.48 112.91 112.92 2k2e h THR 129 Ca -0.00 -0.73 0.04 0.00 0.77 0.00 0.00 66.41 66.49 2k2e h THR 129 Cb 0.18 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2k2e h THR 129 CO 0.00 0.27 0.31 0.22 0.37 0.00 0.00 175.52 176.70 2k2e h TYR 130 N 0.68 0.58 -0.69 3.16 3.20 -0.50 0.52 116.97 123.92 2k2e h TYR 130 Ca 0.15 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2k2e h TYR 130 Cb 0.26 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2k2e h TYR 130 CO 0.01 0.30 0.19 -0.97 -1.64 0.00 0.00 178.16 176.06 2k2e h ASN 131 N 0.61 1.02 0.02 -2.11 -1.24 -0.37 0.86 115.58 114.37 2k2e h ASN 131 Ca 0.24 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 2k2e h ASN 131 Cb 0.10 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.88 2k2e h ASN 131 CO -0.14 0.96 -0.01 0.40 -1.29 0.00 0.00 177.43 177.35 2k2e h ILE 132 N 1.03 1.14 0.00 2.57 2.04 -0.73 -2.06 117.51 121.50 2k2e h ILE 132 Ca 0.22 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 2k2e h ILE 132 Cb 0.33 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2k2e h ILE 132 CO -0.00 0.12 -0.24 -0.07 0.00 0.00 0.00 178.15 177.96 2k2e h LEU 133 N -0.23 0.00 0.04 1.44 3.38 -0.78 -0.45 115.31 118.70 2k2e h LEU 133 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k2e h LEU 133 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k2e h LEU 133 CO 0.00 0.24 -0.02 -0.03 0.09 0.00 0.00 178.44 178.72 2k2e h MET 134 N 0.00 -0.05 -0.55 1.13 4.05 -0.58 0.19 114.93 119.12 2k2e h MET 134 Ca -0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 2k2e h MET 134 Cb 0.58 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 2k2e h MET 134 CO 0.03 0.06 0.03 0.00 0.23 0.00 0.00 176.91 177.26 2k2e h ALA 135 N 0.81 1.03 -0.54 0.39 0.00 -0.87 -2.68 119.26 117.40 2k2e h ALA 135 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k2e h ALA 135 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2k2e h ALA 135 CO 0.01 0.61 0.32 1.49 0.00 0.00 0.00 179.25 181.68 2k2e h GLU 136 N 0.85 0.73 0.00 0.00 4.81 -0.94 -3.47 114.58 116.56 2k2e h GLU 136 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2k2e h GLU 136 Cb 0.46 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2k2e h GLU 136 CO 0.02 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.24 2k2e n GLY 137 N -1.12 1.67 3.90 1.92 0.00 0.49 -5.08 105.19 106.96 2k2e n GLY 137 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2k2e n GLY 137 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2e s ARG 138 N -0.49 3.44 -1.18 1.61 3.52 -0.13 -5.00 118.95 120.71 2k2e s ARG 138 Ca 0.00 -0.29 -0.22 0.00 -0.13 0.00 0.00 55.73 55.09 2k2e s ARG 138 Cb 0.00 -3.11 -0.08 0.00 -1.56 0.00 0.00 34.95 30.20 2k2e s ARG 138 CO 0.00 0.69 1.92 0.54 -0.81 0.00 0.00 175.30 177.65 2k2e n ARG 139 N 1.14 1.71 -4.14 5.12 1.74 -1.26 -4.61 116.66 116.36 2k2e n ARG 139 Ca -0.13 -2.51 -0.34 0.00 -0.77 0.00 0.00 57.85 54.11 2k2e n ARG 139 Cb 0.53 -3.69 -0.11 0.00 -1.02 0.00 0.00 32.46 28.17 2k2e n ARG 139 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k2e s VAL 140 N 10.38 4.34 -0.12 1.55 0.11 -1.26 -1.04 120.40 134.37 2k2e s VAL 140 Ca 0.67 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.53 2k2e s VAL 140 Cb 0.00 -2.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.89 2k2e s VAL 140 CO 0.13 0.46 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.56 2k2e s VAL 141 N 0.54 3.22 -0.11 2.04 1.01 0.11 -4.17 120.40 123.04 2k2e s VAL 141 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2k2e s VAL 141 Cb -0.13 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2k2e s VAL 141 CO 0.02 0.53 -0.16 0.54 0.00 0.00 0.00 175.10 176.03 2k2e s VAL 142 N 0.17 2.79 -0.31 2.92 0.11 0.07 -0.10 120.40 126.05 2k2e s VAL 142 Ca -0.06 -0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 2k2e s VAL 142 Cb -0.15 -2.13 0.04 0.00 -1.53 0.00 0.00 36.38 32.61 2k2e s VAL 142 CO 0.05 0.54 0.05 0.00 -3.33 0.00 0.00 175.10 172.41 2k2e s ALA 143 N 0.17 2.94 -0.24 1.54 0.00 0.60 -0.84 121.76 125.93 2k2e s ALA 143 Ca -0.09 -1.67 -0.07 0.00 0.00 0.00 0.00 51.96 50.13 2k2e s ALA 143 Cb -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2k2e s ALA 143 CO 0.06 -1.19 0.05 -0.51 0.00 0.00 0.00 175.76 174.16 2k2e s LEU 144 N 1.36 3.36 -0.19 0.00 1.43 0.79 0.09 118.68 125.53 2k2e s LEU 144 Ca -0.02 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 2k2e s LEU 144 Cb -0.19 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2k2e s LEU 144 CO 0.01 -0.02 0.41 -0.76 0.23 0.00 0.00 176.35 176.22 2k2e s LEU 145 N 1.49 4.17 -0.17 1.79 1.43 -0.66 -2.40 118.68 124.33 2k2e s LEU 145 Ca 0.06 0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 2k2e s LEU 145 Cb -0.15 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 2k2e s LEU 145 CO 0.02 -0.07 1.37 -2.16 0.23 0.00 0.00 176.35 175.75 2k2e s PRO 146 N 1.21 4.13 -0.17 1.29 0.04 -1.26 -4.10 135.00 136.14 2k2e s PRO 146 Ca 0.20 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 2k2e s PRO 146 Cb -0.15 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2k2e s PRO 146 CO 0.08 -0.85 1.75 0.34 0.04 0.00 0.00 177.00 178.36 2k2e s ASP 147 N 2.56 6.28 0.00 6.66 2.15 -1.26 -3.99 116.67 129.07 2k2e s ASP 147 Ca 0.60 1.85 0.00 0.00 0.43 0.00 0.00 52.55 55.43 2k2e s ASP 147 Cb -0.23 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2k2e s ASP 147 CO 0.20 -1.31 0.00 0.61 -0.17 0.00 0.00 175.17 174.50 2k2e n GLY 148 N 4.76 0.78 3.08 2.66 0.00 -1.26 -4.35 105.19 110.87 2k2e n GLY 148 Ca 0.20 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2k2e n GLY 148 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2e n ASP 149 N 0.00 -4.46 0.00 1.61 -0.08 -1.26 -4.96 116.55 107.41 2k2e n ASP 149 Ca 0.00 0.58 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 2k2e n ASP 149 Cb 0.00 -1.63 0.00 0.00 2.34 0.00 0.00 41.12 41.83 2k2e n ASP 149 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2k2e n SER 150 N -2.32 0.00 0.05 1.67 7.64 -1.26 -4.93 113.62 114.46 2k2e n SER 150 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.66 2k2e n SER 150 Cb 0.25 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.30 2k2e n SER 150 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k2e h LEU 151 N 0.00 0.55 -8.40 -3.43 5.85 -2.02 -3.44 115.31 104.42 2k2e h LEU 151 Ca 0.00 -0.94 -0.68 0.00 0.84 0.00 0.00 57.88 57.10 2k2e h LEU 151 Cb 0.00 -0.18 -0.26 0.00 0.37 0.00 0.00 40.66 40.59 2k2e h LEU 151 CO 0.00 1.80 -0.60 -0.70 -0.34 0.00 0.00 178.44 178.60 2k2e s GLU 152 N -2.56 3.06 0.35 1.25 2.12 -1.26 -5.09 118.70 116.57 2k2e s GLU 152 Ca -0.18 -0.88 0.08 0.00 0.36 0.00 0.00 54.97 54.35 2k2e s GLU 152 Cb 0.06 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2k2e s GLU 152 CO 0.82 -0.48 0.14 -1.01 -0.54 0.00 0.00 175.26 174.19 2k2e s HIS 153 N 1.51 2.68 -0.02 5.30 3.76 -1.26 -4.87 115.29 122.40 2k2e s HIS 153 Ca 0.02 -0.41 -0.25 0.00 -0.15 0.00 0.00 55.06 54.27 2k2e s HIS 153 Cb -0.18 -1.67 -0.20 0.00 1.11 0.00 0.00 32.58 31.65 2k2e s HIS 153 CO 0.03 0.33 1.26 1.25 -0.85 0.00 0.00 174.74 176.76 2k2e h HIS 154 N 1.55 0.08 -3.50 1.40 2.76 -1.98 -3.42 115.15 112.04 2k2e h HIS 154 Ca -0.43 -0.03 -0.53 0.00 -2.20 0.00 0.00 60.37 57.18 2k2e h HIS 154 Cb 1.25 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.17 2k2e h HIS 154 CO 0.63 0.56 0.26 -1.01 -1.30 0.00 0.00 177.93 177.07 2k2e s HIS 155 N -4.16 3.78 -0.39 5.26 3.76 -1.26 -4.95 115.29 117.33 2k2e s HIS 155 Ca -0.16 1.64 0.22 0.00 -0.15 0.00 0.00 55.06 56.61 2k2e s HIS 155 Cb 0.02 -2.93 -0.11 0.00 1.11 0.00 0.00 32.58 30.67 2k2e s HIS 155 CO 0.69 0.25 0.85 0.72 -0.85 0.00 0.00 174.74 176.40 2k2e n HIS 156 N 2.74 0.29 0.00 1.40 -0.00 -1.26 -4.82 115.22 113.57 2k2e n HIS 156 Ca -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 2k2e n HIS 156 Cb 0.50 -0.52 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 2k2e n HIS 156 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k2e n HIS 157 N -2.15 0.00 -1.69 4.41 8.25 -1.26 -5.11 115.22 117.66 2k2e n HIS 157 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k2e n HIS 157 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2k2e n HIS 157 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70