#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mms s LYS 2 N 0.00 4.27 -0.21 0.03 2.20 -1.26 -4.28 119.74 120.49 3mms s LYS 2 Ca 0.00 1.27 -0.05 0.00 -0.36 0.00 0.00 55.97 56.83 3mms s LYS 2 Cb 0.00 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 3mms s LYS 2 CO 0.00 -0.55 0.01 0.42 -0.36 0.00 0.00 175.35 174.88 3mms s ILE 3 N 2.90 4.00 0.00 5.43 1.01 0.17 0.05 121.20 134.76 3mms s ILE 3 Ca 0.43 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 3mms s ILE 3 Cb -0.16 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3mms s ILE 3 CO 0.08 0.41 0.63 -0.83 0.00 0.00 0.00 174.94 175.24 3mms s GLY 4 N 1.13 2.64 -0.15 6.18 0.00 0.17 -1.15 107.32 116.14 3mms s GLY 4 Ca 0.03 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.84 3mms s GLY 4 CO 0.02 0.84 -0.16 -0.42 0.00 0.00 0.00 173.10 173.38 3mms s ILE 5 N -0.10 1.68 -0.08 0.90 1.01 0.70 -1.07 121.20 124.25 3mms s ILE 5 Ca 0.33 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3mms s ILE 5 Cb -0.19 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 3mms s ILE 5 CO 0.18 0.48 -0.20 -0.63 0.00 0.00 0.00 174.94 174.77 3mms s ILE 6 N 1.32 2.53 0.02 2.92 1.01 -0.12 -1.31 121.20 127.57 3mms s ILE 6 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.82 3mms s ILE 6 Cb -0.13 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 3mms s ILE 6 CO -0.09 0.56 -0.09 0.00 0.00 0.00 0.00 174.94 175.32 3mms s ALA 7 N -0.10 0.73 0.13 9.38 0.00 -0.82 -1.77 121.76 129.31 3mms s ALA 7 Ca -0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 3mms s ALA 7 Cb -0.14 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 3mms s ALA 7 CO 0.04 0.12 1.40 0.00 0.00 0.00 0.00 175.76 177.32 3mms h ALA 8 N 5.30 0.46 -2.95 0.00 0.00 -1.81 0.06 119.26 120.32 3mms h ALA 8 Ca -0.33 -0.53 -0.64 0.00 0.00 0.00 0.00 54.91 53.41 3mms h ALA 8 Cb 1.19 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 3mms h ALA 8 CO 0.46 0.68 -0.81 -1.64 0.00 0.00 0.00 179.25 177.94 3mms s MET 9 N -4.07 1.55 0.33 0.00 -1.94 -1.26 -1.72 119.30 112.19 3mms s MET 9 Ca -0.10 -1.58 0.04 0.00 -1.71 0.00 0.00 55.69 52.33 3mms s MET 9 Cb 0.10 -1.82 0.65 0.00 2.01 0.00 0.00 34.83 35.77 3mms s MET 9 CO 0.89 0.38 1.91 -1.00 -0.01 0.00 0.00 175.02 177.19 3mms h PRO 10 N 2.98 0.86 0.00 2.03 0.13 -1.96 -0.93 132.00 135.10 3mms h PRO 10 Ca -0.45 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3mms h PRO 10 Cb 1.22 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3mms h PRO 10 CO 0.51 0.57 -0.01 0.93 -0.23 0.00 0.00 178.00 179.77 3mms h GLU 11 N 0.89 0.00 -0.00 0.86 3.07 -1.96 -0.43 114.58 117.00 3mms h GLU 11 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3mms h GLU 11 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3mms h GLU 11 CO -0.15 0.01 -0.43 0.39 -1.40 0.00 0.00 179.01 177.42 3mms n GLU 12 N -3.81 0.13 -0.00 2.33 1.02 -0.36 -4.04 120.64 115.90 3mms n GLU 12 Ca -0.03 -0.07 0.05 0.00 -0.02 0.00 0.00 57.16 57.08 3mms n GLU 12 Cb 0.09 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 3mms n GLU 12 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3mms n LEU 13 N -1.37 0.03 -0.14 -4.62 7.94 -0.51 -4.74 117.00 113.59 3mms n LEU 13 Ca 0.07 -0.04 -0.04 0.00 -1.11 0.00 0.00 56.01 54.89 3mms n LEU 13 Cb 0.34 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.32 3mms n LEU 13 CO 0.33 0.01 0.82 0.00 -1.11 0.00 0.00 177.39 177.44 3mms h ALA 14 N 0.87 0.38 -0.73 1.96 0.00 -1.27 -1.31 119.26 119.15 3mms h ALA 14 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mms h ALA 14 Cb 0.40 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3mms h ALA 14 CO 0.00 -0.41 0.40 -0.92 0.00 0.00 0.00 179.25 178.32 3mms h TYR 15 N 0.07 0.99 -0.31 0.00 3.20 -1.86 -2.06 116.97 117.00 3mms h TYR 15 Ca 0.22 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 3mms h TYR 15 Cb 0.33 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3mms h TYR 15 CO -0.32 0.69 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.40 3mms h LEU 16 N 1.02 0.82 -1.02 2.82 3.38 -1.67 -2.81 115.31 117.84 3mms h LEU 16 Ca 0.26 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3mms h LEU 16 Cb 0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3mms h LEU 16 CO -0.04 1.13 0.63 0.58 0.09 0.00 0.00 178.44 180.82 3mms h VAL 17 N 0.62 1.25 -0.00 1.22 2.07 -0.80 -0.86 116.25 119.75 3mms h VAL 17 Ca 0.05 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3mms h VAL 17 Cb 0.97 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3mms h VAL 17 CO 0.09 0.25 0.01 1.56 0.02 0.00 0.00 177.57 179.50 3mms h GLN 18 N 1.32 0.00 -0.45 1.57 4.20 -1.14 -2.37 115.11 118.24 3mms h GLN 18 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3mms h GLN 18 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3mms h GLN 18 CO -0.07 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.81 3mms n HIS 19 N -3.50 1.10 -3.10 2.96 8.25 -0.37 -4.96 115.22 115.61 3mms n HIS 19 Ca -0.03 -0.67 -0.40 0.00 -0.26 0.00 0.00 57.72 56.36 3mms n HIS 19 Cb 0.09 -0.23 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 3mms n HIS 19 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3mms s LEU 20 N -1.98 4.11 0.15 2.41 2.96 -0.90 -4.66 118.68 120.78 3mms s LEU 20 Ca 0.42 0.80 -0.13 0.00 -0.22 0.00 0.00 54.13 54.99 3mms s LEU 20 Cb 0.29 -2.89 -0.07 0.00 0.50 0.00 0.00 46.19 44.02 3mms s LEU 20 CO 0.17 -0.32 0.54 -1.81 -1.32 0.00 0.00 176.35 173.61 3mms s ASP 21 N 1.31 6.79 -1.54 3.68 1.01 0.45 -4.10 116.67 124.27 3mms s ASP 21 Ca 0.28 1.04 -0.10 0.00 0.71 0.00 0.00 52.55 54.48 3mms s ASP 21 Cb -0.16 -2.27 0.08 0.00 1.01 0.00 0.00 42.92 41.58 3mms s ASP 21 CO 0.09 0.09 0.69 0.59 0.21 0.00 0.00 175.17 176.84 3mms n ASN 22 N 0.70 -2.40 -4.72 0.27 3.02 -1.26 -1.65 115.26 109.21 3mms n ASN 22 Ca -0.05 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.13 3mms n ASN 22 Cb 0.52 -3.19 -0.03 0.00 -0.61 0.00 0.00 39.78 36.47 3mms n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mms s ALA 23 N -3.56 3.75 0.15 5.41 0.00 -1.26 -4.42 121.76 121.84 3mms s ALA 23 Ca 0.41 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.78 3mms s ALA 23 Cb -0.22 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 3mms s ALA 23 CO 0.89 -0.77 -0.11 -0.65 0.00 0.00 0.00 175.76 175.12 3mms s GLN 24 N 0.91 1.08 0.00 0.00 -0.21 0.08 -4.97 119.66 116.56 3mms s GLN 24 Ca 0.68 -1.45 0.07 0.00 0.02 0.00 0.00 55.36 54.68 3mms s GLN 24 Cb -0.43 -0.69 -0.02 0.00 1.00 0.00 0.00 33.01 32.87 3mms s GLN 24 CO 0.33 0.09 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.17 3mms s GLU 25 N -3.65 1.59 -0.05 2.91 2.02 -1.26 -0.61 118.70 119.65 3mms s GLU 25 Ca 0.17 -0.81 -0.01 0.00 0.02 0.00 0.00 54.97 54.34 3mms s GLU 25 Cb 0.02 -1.59 0.03 0.00 0.10 0.00 0.00 34.13 32.68 3mms s GLU 25 CO 0.01 0.43 0.01 -1.14 0.02 0.00 0.00 175.26 174.59 3mms s GLN 26 N -0.72 0.43 -0.25 1.61 0.74 0.18 -4.96 119.66 116.69 3mms s GLN 26 Ca 0.08 0.13 -0.18 0.00 0.05 0.00 0.00 55.36 55.44 3mms s GLN 26 Cb -0.08 -0.77 -0.03 0.00 1.10 0.00 0.00 33.01 33.23 3mms s GLN 26 CO 0.00 -0.25 0.53 0.08 -0.55 0.00 0.00 175.29 175.10 3mms s VAL 27 N 1.72 5.06 -0.19 1.34 1.01 -1.26 -0.44 120.40 127.64 3mms s VAL 27 Ca 0.00 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.91 3mms s VAL 27 Cb -0.13 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3mms s VAL 27 CO -0.04 0.09 -0.14 -0.69 0.00 0.00 0.00 175.10 174.32 3mms s VAL 28 N 2.27 1.82 -1.43 2.92 1.01 0.24 -4.80 120.40 122.43 3mms s VAL 28 Ca 0.22 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3mms s VAL 28 Cb -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3mms s VAL 28 CO 0.09 0.33 0.33 0.18 0.00 0.00 0.00 175.10 176.03 3mms n LEU 29 N 4.65 -1.88 0.00 3.92 4.77 -1.26 -1.88 117.00 125.32 3mms n LEU 29 Ca -0.17 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 3mms n LEU 29 Cb 0.48 -2.06 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 3mms n LEU 29 CO 0.22 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3mms n GLY 30 N -2.13 0.40 3.20 -0.72 0.00 -1.26 -5.02 105.19 99.66 3mms n GLY 30 Ca -0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 3mms n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mms s ASN 31 N -2.04 1.89 -0.18 1.61 2.47 -0.79 -5.14 114.94 112.77 3mms s ASN 31 Ca 0.00 -0.63 -0.15 0.00 0.42 0.00 0.00 52.86 52.50 3mms s ASN 31 Cb 0.00 -0.07 -0.04 0.00 -1.45 0.00 0.00 41.25 39.68 3mms s ASN 31 CO 0.00 -0.04 0.35 -0.89 -3.72 0.00 0.00 177.10 172.80 3mms s THR 32 N -1.24 5.25 -0.17 -5.21 2.01 -1.26 -0.59 115.64 114.43 3mms s THR 32 Ca 0.00 0.63 -0.02 0.00 0.31 0.00 0.00 61.69 62.61 3mms s THR 32 Cb -0.10 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 3mms s THR 32 CO 0.03 0.32 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.88 3mms s TYR 33 N 0.88 2.89 -0.20 4.92 1.51 0.41 -4.44 117.35 123.34 3mms s TYR 33 Ca 0.18 -0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 55.38 3mms s TYR 33 Cb -0.14 -1.95 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 3mms s TYR 33 CO 0.06 -0.32 0.25 -1.01 -1.11 0.00 0.00 175.55 173.41 3mms s HIS 34 N 0.78 3.40 0.19 2.71 3.76 0.20 -0.65 115.29 125.67 3mms s HIS 34 Ca -0.04 0.45 0.10 0.00 -0.15 0.00 0.00 55.06 55.43 3mms s HIS 34 Cb -0.15 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 3mms s HIS 34 CO 0.01 0.16 -0.17 0.95 -0.85 0.00 0.00 174.74 174.84 3mms s THR 35 N 0.75 2.75 -5.00 1.30 -4.23 0.22 0.17 115.64 111.60 3mms s THR 35 Ca 0.13 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3mms s THR 35 Cb -0.13 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3mms s THR 35 CO 0.03 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3mms n GLY 36 N 0.13 -0.26 3.24 3.99 0.00 -1.13 -0.74 105.19 110.41 3mms n GLY 36 Ca -0.11 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 3mms n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mms s THR 37 N -3.52 1.44 -0.19 2.61 -4.23 -0.66 -1.14 115.64 109.95 3mms s THR 37 Ca 0.00 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 3mms s THR 37 Cb 0.00 -1.35 0.04 0.00 1.34 0.00 0.00 72.50 72.53 3mms s THR 37 CO 0.00 -0.15 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.18 3mms s ILE 38 N -1.27 1.63 -1.52 2.99 1.01 -0.05 -0.41 121.20 123.58 3mms s ILE 38 Ca 0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 3mms s ILE 38 Cb -0.10 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.75 3mms s ILE 38 CO 0.03 0.25 0.35 1.33 0.00 0.00 0.00 174.94 176.90 3mms n VAL 39 N 4.71 -1.97 0.00 2.92 0.24 -1.26 -1.54 118.33 121.42 3mms n VAL 39 Ca -0.15 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 3mms n VAL 39 Cb 0.47 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 30.96 3mms n VAL 39 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3mms n SER 40 N -2.88 0.00 -4.73 -1.34 2.88 -1.26 -4.88 113.62 101.41 3mms n SER 40 Ca -0.24 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.90 3mms n SER 40 Cb 0.65 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.06 3mms n SER 40 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3mms s HIS 41 N -2.24 3.69 -0.04 0.66 4.02 -0.59 -5.00 115.29 115.79 3mms s HIS 41 Ca 0.00 1.47 -0.30 0.00 1.02 0.00 0.00 55.06 57.25 3mms s HIS 41 Cb 0.00 -2.87 -0.05 0.00 -1.02 0.00 0.00 32.58 28.65 3mms s HIS 41 CO 0.00 0.19 1.42 -2.00 1.02 0.00 0.00 174.74 175.37 3mms s GLU 42 N 0.29 4.26 0.16 1.40 2.12 -1.26 -0.87 118.70 124.79 3mms s GLU 42 Ca 0.40 1.94 0.07 0.00 0.36 0.00 0.00 54.97 57.74 3mms s GLU 42 Cb -0.20 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 3mms s GLU 42 CO 0.23 -0.65 -0.14 0.14 -0.54 0.00 0.00 175.26 174.30 3mms s VAL 43 N 2.91 1.52 -0.12 3.70 -7.23 -0.29 -0.65 120.40 120.24 3mms s VAL 43 Ca 0.64 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 3mms s VAL 43 Cb -0.30 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 34.88 3mms s VAL 43 CO 0.25 -0.49 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.72 3mms s VAL 44 N -2.51 1.41 -0.06 1.32 1.01 -0.30 -2.85 120.40 118.42 3mms s VAL 44 Ca 0.15 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 3mms s VAL 44 Cb -0.03 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3mms s VAL 44 CO 0.04 0.43 0.06 -0.76 0.00 0.00 0.00 175.10 174.87 3mms s LEU 45 N 1.19 3.86 -0.16 3.92 1.43 0.13 -0.21 118.68 128.84 3mms s LEU 45 Ca -0.03 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 3mms s LEU 45 Cb -0.14 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.08 3mms s LEU 45 CO -0.04 0.34 0.41 0.54 0.23 0.00 0.00 176.35 177.83 3mms s VAL 46 N -1.03 -0.00 -0.49 -1.59 0.11 -0.43 -0.63 120.40 116.34 3mms s VAL 46 Ca 0.17 0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 59.04 3mms s VAL 46 Cb -0.12 -0.58 0.05 0.00 -1.53 0.00 0.00 36.38 34.20 3mms s VAL 46 CO 0.07 0.00 0.63 -0.70 -3.33 0.00 0.00 175.10 171.78 3mms s GLU 47 N 0.33 3.17 0.24 1.54 2.12 -1.26 -1.94 118.70 122.90 3mms s GLU 47 Ca -0.01 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.65 3mms s GLU 47 Cb -0.03 -4.05 0.25 0.00 0.26 0.00 0.00 34.13 30.56 3mms s GLU 47 CO -0.01 -1.16 1.56 0.66 -0.54 0.00 0.00 175.26 175.77 3mms h SER 48 N 8.97 0.20 -5.00 -1.70 4.64 -1.13 -3.47 113.55 116.06 3mms h SER 48 Ca -0.27 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3mms h SER 48 Cb 1.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3mms h SER 48 CO 0.94 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 178.29 3mms n GLY 49 N 0.31 1.94 3.80 -0.77 0.00 -0.70 -4.66 105.19 105.11 3mms n GLY 49 Ca -0.02 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 3mms n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mms s ILE 50 N -2.37 4.61 0.00 -0.61 1.01 -1.26 -4.38 121.20 118.21 3mms s ILE 50 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.04 3mms s ILE 50 Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3mms s ILE 50 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.09 3mms n GLY 51 N 1.69 1.02 0.08 6.18 0.00 -1.26 -4.40 105.19 108.51 3mms n GLY 51 Ca -0.09 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 3mms n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mms h LYS 52 N 0.00 0.01 -0.24 1.61 1.57 -1.90 -2.17 116.57 115.44 3mms h LYS 52 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3mms h LYS 52 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3mms h LYS 52 CO 0.00 0.00 0.06 0.28 -0.57 0.00 0.00 179.45 179.23 3mms h VAL 53 N 0.01 1.21 -0.68 0.50 2.07 -1.93 -0.49 116.25 116.93 3mms h VAL 53 Ca 0.06 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3mms h VAL 53 Cb 0.09 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3mms h VAL 53 CO -0.12 0.21 0.15 0.24 0.02 0.00 0.00 177.57 178.07 3mms h MET 54 N 0.22 1.10 -0.45 1.57 2.86 -1.75 -1.28 114.93 117.19 3mms h MET 54 Ca 0.08 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 3mms h MET 54 Cb 0.27 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3mms h MET 54 CO -0.00 0.98 0.08 0.66 1.06 0.00 0.00 176.91 179.69 3mms h SER 55 N 1.03 0.70 -0.82 1.22 4.64 -1.30 -2.43 113.55 116.59 3mms h SER 55 Ca 0.21 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3mms h SER 55 Cb 0.39 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 3mms h SER 55 CO 0.01 0.78 0.42 0.00 -0.87 0.00 0.00 176.83 177.16 3mms h ALA 56 N 0.95 1.06 -0.69 5.18 0.00 -0.80 -2.13 119.26 122.82 3mms h ALA 56 Ca 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mms h ALA 56 Cb 0.37 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3mms h ALA 56 CO 0.01 0.60 0.25 0.52 0.00 0.00 0.00 179.25 180.63 3mms h MET 57 N 1.16 1.05 -0.90 0.00 2.86 -1.09 -1.52 114.93 116.49 3mms h MET 57 Ca 0.29 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3mms h MET 57 Cb 0.08 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 3mms h MET 57 CO -0.04 0.88 0.59 0.66 1.06 0.00 0.00 176.91 180.06 3mms h SER 58 N 0.99 0.98 -0.37 1.22 4.64 -1.12 -0.85 113.55 119.04 3mms h SER 58 Ca 0.23 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 3mms h SER 58 Cb 0.24 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3mms h SER 58 CO -0.01 0.68 0.14 0.58 -0.87 0.00 0.00 176.83 177.34 3mms h VAL 59 N 1.15 1.20 -0.83 0.95 2.07 -1.10 0.52 116.25 120.19 3mms h VAL 59 Ca 0.36 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3mms h VAL 59 Cb -0.02 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3mms h VAL 59 CO -0.11 0.22 0.53 0.00 0.02 0.00 0.00 177.57 178.23 3mms h ALA 60 N 0.98 1.05 -0.21 1.67 0.00 -0.95 0.18 119.26 121.98 3mms h ALA 60 Ca 0.12 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3mms h ALA 60 Cb 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3mms h ALA 60 CO -0.01 0.48 -0.66 0.82 0.00 0.00 0.00 179.25 179.89 3mms h ILE 61 N 1.13 1.29 -0.87 0.00 2.04 -0.87 0.25 117.51 120.48 3mms h ILE 61 Ca 0.30 -1.87 0.02 0.00 1.00 0.00 0.00 64.86 64.32 3mms h ILE 61 Cb -0.10 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 3mms h ILE 61 CO -0.06 0.60 0.57 -0.07 0.00 0.00 0.00 178.15 179.18 3mms h LEU 62 N 0.57 0.95 0.15 1.44 3.38 -0.63 0.02 115.31 121.19 3mms h LEU 62 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3mms h LEU 62 Cb 1.27 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3mms h LEU 62 CO 0.14 0.67 -0.07 0.00 0.09 0.00 0.00 178.44 179.26 3mms h ALA 63 N 1.35 -0.20 0.22 1.53 0.00 -0.79 -1.59 119.26 119.77 3mms h ALA 63 Ca 0.34 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 3mms h ALA 63 Cb -0.04 0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.85 3mms h ALA 63 CO -0.10 -0.38 -1.58 -0.24 0.00 0.00 0.00 179.25 176.95 3mms h VAL 64 N -0.67 1.12 0.04 0.00 3.04 -0.90 -2.56 116.25 116.31 3mms h VAL 64 Ca -0.02 -2.59 -0.28 0.00 -1.01 0.00 0.00 66.70 62.79 3mms h VAL 64 Cb 0.49 2.91 -0.03 0.00 -2.01 0.00 0.00 31.29 32.66 3mms h VAL 64 CO 0.03 0.83 -1.55 1.57 -1.01 0.00 0.00 177.57 177.44 3mms n HIS 65 N -3.69 1.04 1.07 3.17 -0.00 -0.03 -4.35 115.22 112.44 3mms n HIS 65 Ca -0.21 0.37 0.12 0.00 -0.00 0.00 0.00 57.72 58.00 3mms n HIS 65 Cb 1.07 -1.12 0.25 0.00 -0.00 0.00 0.00 29.99 30.19 3mms n HIS 65 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3mms n PHE 66 N -4.13 0.00 -3.89 1.57 3.72 -1.07 -4.97 117.46 108.69 3mms n PHE 66 Ca -0.33 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.80 3mms n PHE 66 Cb 0.80 -0.18 0.01 0.00 -0.94 0.00 0.00 39.48 39.17 3mms n PHE 66 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3mms n GLN 67 N -1.21 -4.45 -1.30 -1.08 6.02 -0.64 -4.94 117.38 109.79 3mms n GLN 67 Ca 0.07 0.53 -0.31 0.00 -0.01 0.00 0.00 57.00 57.28 3mms n GLN 67 Cb 0.34 -5.08 0.09 0.00 1.02 0.00 0.00 30.24 26.61 3mms n GLN 67 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3mms s VAL 68 N -3.60 3.38 -0.47 5.09 -7.23 -0.96 -4.91 120.40 111.70 3mms s VAL 68 Ca 0.28 0.45 0.17 0.00 -1.81 0.00 0.00 61.98 61.08 3mms s VAL 68 Cb -0.14 -2.96 -0.22 0.00 0.56 0.00 0.00 36.38 33.62 3mms s VAL 68 CO 0.85 -0.58 0.57 0.47 -0.31 0.00 0.00 175.10 176.11 3mms n ASP 69 N -3.46 0.89 -3.58 4.85 8.00 0.11 -4.86 116.55 118.50 3mms n ASP 69 Ca 0.09 -0.52 -0.09 0.00 0.71 0.00 0.00 54.79 54.98 3mms n ASP 69 Cb 0.53 1.33 -0.02 0.00 -0.02 0.00 0.00 41.12 42.95 3mms n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mms s ALA 70 N -2.85 -1.60 0.03 2.24 0.00 -1.16 -4.37 121.76 114.05 3mms s ALA 70 Ca 0.01 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.43 3mms s ALA 70 Cb 0.12 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 3mms s ALA 70 CO 0.71 -0.84 -0.12 -0.51 0.00 0.00 0.00 175.76 174.99 3mms s LEU 71 N -2.74 2.16 -0.04 0.00 1.43 -0.37 -0.65 118.68 118.45 3mms s LEU 71 Ca 0.06 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3mms s LEU 71 Cb -0.02 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.72 3mms s LEU 71 CO -0.06 0.00 -0.10 -0.63 0.23 0.00 0.00 176.35 175.80 3mms s ILE 72 N -0.82 0.92 -0.14 -0.59 1.01 -0.23 -1.40 121.20 119.95 3mms s ILE 72 Ca -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.27 3mms s ILE 72 Cb -0.07 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 3mms s ILE 72 CO 0.01 0.30 -0.18 0.21 0.00 0.00 0.00 174.94 175.27 3mms s ASN 73 N 0.48 3.48 0.12 3.58 3.04 0.05 -0.95 114.94 124.74 3mms s ASN 73 Ca -0.09 -0.50 0.05 0.00 0.04 0.00 0.00 52.86 52.36 3mms s ASN 73 Cb -0.13 -1.51 -0.04 0.00 -1.54 0.00 0.00 41.25 38.03 3mms s ASN 73 CO 0.02 0.11 -0.12 0.28 -3.04 0.00 0.00 177.10 174.35 3mms s THR 74 N 0.66 1.16 -5.00 -5.21 -1.32 -0.73 -1.00 115.64 104.21 3mms s THR 74 Ca -0.09 -1.79 0.00 0.00 -1.21 0.00 0.00 61.69 58.60 3mms s THR 74 Cb -0.16 -1.56 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 3mms s THR 74 CO 0.02 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.48 3mms n GLY 75 N 0.33 -0.17 3.75 6.08 0.00 -1.16 -4.37 105.19 109.65 3mms n GLY 75 Ca -0.14 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 3mms n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mms s SER 76 N -4.00 5.25 0.27 1.61 1.04 -1.26 -0.69 113.70 115.91 3mms s SER 76 Ca 0.00 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.10 3mms s SER 76 Cb 0.00 -1.28 -0.00 0.00 0.10 0.00 0.00 66.02 64.84 3mms s SER 76 CO 0.00 0.06 0.46 0.00 0.98 0.00 0.00 173.24 174.74 3mms s ALA 77 N -1.79 0.15 -0.19 5.32 0.00 -0.57 -4.83 121.76 119.84 3mms s ALA 77 Ca 0.30 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 3mms s ALA 77 Cb -0.09 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 3mms s ALA 77 CO 0.22 -0.82 0.13 0.20 0.00 0.00 0.00 175.76 175.49 3mms s GLY 78 N -3.09 2.04 -0.11 0.00 0.00 -0.40 -1.51 107.32 104.25 3mms s GLY 78 Ca 0.26 -0.69 -0.28 0.00 0.00 0.00 0.00 44.72 44.01 3mms s GLY 78 CO 0.12 0.08 0.94 0.00 0.00 0.00 0.00 173.10 174.25 3mms s ALA 79 N 0.22 3.41 0.00 3.20 0.00 0.46 -0.95 121.76 128.11 3mms s ALA 79 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3mms s ALA 79 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3mms s ALA 79 CO -0.01 -0.56 0.00 1.33 0.00 0.00 0.00 175.76 176.52 3mms n VAL 80 N 4.51 0.00 -3.66 0.00 0.24 -0.58 -4.33 118.33 114.51 3mms n VAL 80 Ca 0.07 -0.21 -0.24 0.00 -2.04 0.00 0.00 64.34 61.92 3mms n VAL 80 Cb 0.49 0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 33.56 3mms n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mms s ALA 81 N -1.11 3.81 0.29 2.33 0.00 -1.09 -5.00 121.76 120.99 3mms s ALA 81 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 3mms s ALA 81 Cb 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 23.12 21.03 3mms s ALA 81 CO 0.00 0.20 1.33 0.39 0.00 0.00 0.00 175.76 177.68 3mms n GLU 82 N -1.33 2.05 -0.89 0.00 1.02 -1.26 -2.34 120.64 117.90 3mms n GLU 82 Ca -0.06 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 3mms n GLU 82 Cb 0.56 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 3mms n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mms n GLY 83 N 1.46 0.94 3.46 0.62 0.00 -1.26 -4.99 105.19 105.42 3mms n GLY 83 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3mms n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mms s ILE 84 N -3.56 5.11 0.34 -0.61 1.01 -0.99 -5.06 121.20 117.43 3mms s ILE 84 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 3mms s ILE 84 Cb 0.00 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3mms s ILE 84 CO 0.00 -0.20 0.64 0.00 0.00 0.00 0.00 174.94 175.38 3mms s ALA 85 N 1.66 3.51 0.28 9.38 0.00 -1.26 -4.82 121.76 130.51 3mms s ALA 85 Ca 0.05 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 3mms s ALA 85 Cb -0.19 -2.46 -0.11 0.00 0.00 0.00 0.00 23.12 20.36 3mms s ALA 85 CO 0.09 0.13 1.56 0.08 0.00 0.00 0.00 175.76 177.63 3mms s VAL 86 N -2.21 2.21 0.00 0.00 1.01 -1.26 -1.41 120.40 118.74 3mms s VAL 86 Ca 0.47 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3mms s VAL 86 Cb -0.11 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3mms s VAL 86 CO 0.31 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3mms n GLY 87 N 2.23 2.14 3.81 4.51 0.00 0.34 -4.98 105.19 113.25 3mms n GLY 87 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3mms n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mms s ASP 88 N -1.43 5.11 -0.04 1.61 1.11 -0.50 -4.61 116.67 117.93 3mms s ASP 88 Ca 0.00 1.55 0.01 0.00 0.18 0.00 0.00 52.55 54.29 3mms s ASP 88 Cb 0.00 -2.39 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 3mms s ASP 88 CO 0.00 -1.61 -0.02 -0.69 1.18 0.00 0.00 175.17 174.03 3mms s VAL 89 N -3.06 4.06 -0.10 -1.27 1.01 -0.31 -0.50 120.40 120.23 3mms s VAL 89 Ca 0.59 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3mms s VAL 89 Cb -0.14 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.50 3mms s VAL 89 CO 0.55 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 175.25 3mms s VAL 90 N -0.96 1.74 -0.25 2.92 1.01 0.54 -0.86 120.40 124.54 3mms s VAL 90 Ca 0.16 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3mms s VAL 90 Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3mms s VAL 90 CO 0.06 0.49 0.15 -0.63 0.00 0.00 0.00 175.10 175.17 3mms s ILE 91 N 0.56 5.18 -0.66 2.22 -1.09 0.19 -1.51 121.20 126.08 3mms s ILE 91 Ca -0.15 0.12 -0.25 0.00 -2.23 0.00 0.00 60.65 58.14 3mms s ILE 91 Cb -0.17 -3.43 0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3mms s ILE 91 CO 0.05 0.32 1.13 0.00 -1.23 0.00 0.00 174.94 175.21 3mms s ALA 92 N 1.30 2.95 -0.95 9.38 0.00 -0.64 -1.92 121.76 131.88 3mms s ALA 92 Ca 0.07 -1.41 0.28 0.00 0.00 0.00 0.00 51.96 50.90 3mms s ALA 92 Cb -0.14 -4.03 1.12 0.00 0.00 0.00 0.00 23.12 20.06 3mms s ALA 92 CO 0.06 -2.91 1.87 -0.40 0.00 0.00 0.00 175.76 174.38 3mms n ASP 93 N 8.47 0.18 -3.79 0.00 5.75 -0.53 -3.36 116.55 123.28 3mms n ASP 93 Ca 0.02 0.48 -0.13 0.00 -0.01 0.00 0.00 54.79 55.15 3mms n ASP 93 Cb 0.48 -0.52 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 3mms n ASP 93 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3mms s LYS 94 N -3.02 0.52 0.01 0.11 -0.14 -1.24 -3.93 119.74 112.05 3mms s LYS 94 Ca 0.13 -0.03 0.02 0.00 -1.36 0.00 0.00 55.97 54.73 3mms s LYS 94 Cb 0.18 0.23 -0.01 0.00 -1.68 0.00 0.00 37.83 36.55 3mms s LYS 94 CO 0.55 -0.12 -0.06 -0.51 -0.76 0.00 0.00 175.35 174.45 3mms s LEU 95 N -0.84 2.07 0.12 3.17 1.02 0.25 -1.95 118.68 122.52 3mms s LEU 95 Ca -0.09 -0.21 -0.16 0.00 0.02 0.00 0.00 54.13 53.68 3mms s LEU 95 Cb -0.05 -0.28 0.03 0.00 0.02 0.00 0.00 46.19 45.92 3mms s LEU 95 CO 0.02 0.01 0.40 0.00 0.02 0.00 0.00 176.35 176.80 3mms s ALA 96 N -0.43 -0.93 0.06 4.21 0.00 -1.11 -0.74 121.76 122.83 3mms s ALA 96 Ca -0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.70 3mms s ALA 96 Cb -0.04 0.68 -0.06 0.00 0.00 0.00 0.00 23.12 23.69 3mms s ALA 96 CO -0.00 -0.63 0.66 0.71 0.00 0.00 0.00 175.76 176.50 3mms s TYR 97 N -3.74 3.78 -2.11 0.00 2.02 -1.25 -0.30 117.35 115.74 3mms s TYR 97 Ca 0.03 1.37 0.23 0.00 -0.37 0.00 0.00 57.07 58.33 3mms s TYR 97 Cb 0.02 -2.66 0.12 0.00 -0.40 0.00 0.00 41.96 39.04 3mms s TYR 97 CO -0.12 0.43 1.18 -2.39 -1.57 0.00 0.00 175.55 173.08 3mms n HIS 98 N 2.23 0.00 -1.05 2.71 1.44 0.07 -4.37 115.22 116.25 3mms n HIS 98 Ca -0.07 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.74 3mms n HIS 98 Cb 0.50 -0.01 0.14 0.00 0.12 0.00 0.00 29.99 30.74 3mms n HIS 98 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3mms n ASP 99 N 0.05 2.42 -4.51 4.39 5.75 -1.26 -4.91 116.55 118.48 3mms n ASP 99 Ca 0.10 -3.07 -0.34 0.00 -0.01 0.00 0.00 54.79 51.47 3mms n ASP 99 Cb 0.47 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 40.01 3mms n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3mms s VAL 100 N -2.85 4.09 -0.30 2.12 1.01 -1.26 -5.03 120.40 118.18 3mms s VAL 100 Ca 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3mms s VAL 100 Cb 0.28 -2.82 0.10 0.00 0.00 0.00 0.00 36.38 33.94 3mms s VAL 100 CO 0.03 0.47 0.11 -0.62 0.00 0.00 0.00 175.10 175.09 3mms s ASP 101 N 0.50 3.84 -0.20 3.32 -1.08 -1.26 -0.26 116.67 121.52 3mms s ASP 101 Ca -0.02 -1.50 0.12 0.00 -0.52 0.00 0.00 52.55 50.64 3mms s ASP 101 Cb -0.14 -0.69 0.43 0.00 -1.46 0.00 0.00 42.92 41.07 3mms s ASP 101 CO 0.02 -0.42 1.21 0.52 0.52 0.00 0.00 175.17 177.02 3mms n VAL 102 N 4.99 2.01 0.30 1.11 0.31 -1.26 -4.81 118.33 120.99 3mms n VAL 102 Ca -0.04 -3.19 0.18 0.00 -0.01 0.00 0.00 64.34 61.29 3mms n VAL 102 Cb 0.42 -0.24 0.87 0.00 -0.91 0.00 0.00 33.84 33.98 3mms n VAL 102 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3mms h THR 103 N 1.99 0.00 -0.08 2.52 1.35 -1.85 -2.36 112.91 114.48 3mms h THR 103 Ca 0.04 -0.23 0.02 0.00 -0.55 0.00 0.00 66.41 65.70 3mms h THR 103 Cb 1.21 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3mms h THR 103 CO 0.16 0.00 0.10 0.00 -0.25 0.00 0.00 175.52 175.53 3mms h ALA 104 N 2.03 1.65 -0.61 6.62 0.00 -1.88 -0.49 119.26 126.58 3mms h ALA 104 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mms h ALA 104 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3mms h ALA 104 CO 0.00 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.30 3mms n PHE 105 N -3.81 0.80 -0.03 0.00 3.72 -0.89 -4.95 117.46 112.30 3mms n PHE 105 Ca -0.01 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 3mms n PHE 105 Cb 0.20 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3mms n PHE 105 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mms n GLY 106 N 1.40 0.34 3.73 1.37 0.00 -0.19 -5.07 105.19 106.76 3mms n GLY 106 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 3mms n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mms s TYR 107 N -2.11 2.17 0.59 1.61 2.02 -1.24 -4.99 117.35 115.41 3mms s TYR 107 Ca 0.00 1.62 -0.17 0.00 -0.37 0.00 0.00 57.07 58.15 3mms s TYR 107 Cb 0.00 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.20 3mms s TYR 107 CO 0.00 -2.32 1.09 0.00 -1.57 0.00 0.00 175.55 172.75 3mms s ALA 108 N -2.32 2.65 0.30 3.71 0.00 -1.26 -4.22 121.76 120.62 3mms s ALA 108 Ca 0.69 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 3mms s ALA 108 Cb -0.24 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 3mms s ALA 108 CO 0.48 -0.89 1.58 0.98 0.00 0.00 0.00 175.76 177.92 3mms n TYR 109 N -1.80 2.84 0.00 0.00 4.19 -1.26 -1.35 117.16 119.78 3mms n TYR 109 Ca 0.10 0.27 0.00 0.00 3.31 0.00 0.00 57.90 61.59 3mms n TYR 109 Cb 0.52 -2.59 0.00 0.00 0.49 0.00 0.00 39.34 37.76 3mms n TYR 109 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3mms n GLY 110 N 2.04 3.04 3.63 2.98 0.00 0.64 -5.03 105.19 112.49 3mms n GLY 110 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3mms n GLY 110 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mms s GLN 111 N -0.78 4.06 0.45 1.61 0.74 -0.46 -3.92 119.66 121.37 3mms s GLN 111 Ca 0.00 0.77 -0.23 0.00 0.05 0.00 0.00 55.36 55.96 3mms s GLN 111 Cb 0.00 -3.70 -0.08 0.00 1.10 0.00 0.00 33.01 30.34 3mms s GLN 111 CO 0.00 -0.63 1.12 1.41 -0.55 0.00 0.00 175.29 176.64 3mms s MET 112 N 2.97 3.84 0.35 1.67 -2.45 -1.26 -4.40 119.30 120.02 3mms s MET 112 Ca 0.34 1.65 -0.27 0.00 -1.25 0.00 0.00 55.69 56.16 3mms s MET 112 Cb -0.14 -2.38 -0.12 0.00 1.25 0.00 0.00 34.83 33.44 3mms s MET 112 CO 0.11 -0.46 1.25 0.00 1.05 0.00 0.00 175.02 176.98 3mms n ALA 113 N -0.49 1.14 -2.12 4.11 0.00 -1.26 -1.94 120.51 119.95 3mms n ALA 113 Ca 0.07 0.34 -0.19 0.00 0.00 0.00 0.00 53.44 53.67 3mms n ALA 113 Cb 0.49 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 3mms n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mms n GLN 114 N 0.47 -1.46 -4.01 0.00 10.64 -1.26 -4.98 117.38 116.78 3mms n GLN 114 Ca 0.05 0.99 -0.08 0.00 -1.83 0.00 0.00 57.00 56.14 3mms n GLN 114 Cb 0.36 -5.47 -0.09 0.00 -0.86 0.00 0.00 30.24 24.18 3mms n GLN 114 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 3mms s GLN 115 N -4.55 0.66 0.64 2.61 -1.52 -0.82 -5.15 119.66 111.54 3mms s GLN 115 Ca 0.00 -1.10 -0.12 0.00 -1.95 0.00 0.00 55.36 52.19 3mms s GLN 115 Cb 0.00 0.24 -0.02 0.00 -0.22 0.00 0.00 33.01 33.02 3mms s GLN 115 CO 0.00 -0.15 1.05 -1.25 -0.25 0.00 0.00 175.29 174.68 3mms s PRO 116 N -3.74 3.25 0.16 2.91 0.04 -1.26 -4.61 135.00 131.75 3mms s PRO 116 Ca 0.05 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 3mms s PRO 116 Cb 0.06 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.61 3mms s PRO 116 CO -0.10 -0.85 1.63 1.25 0.04 0.00 0.00 177.00 178.97 3mms h LEU 117 N -0.27 0.88 -8.61 -3.56 5.85 -1.92 -3.41 115.31 104.27 3mms h LEU 117 Ca -0.45 -0.28 -0.68 0.00 0.84 0.00 0.00 57.88 57.31 3mms h LEU 117 Cb 1.20 -0.24 -0.28 0.00 0.37 0.00 0.00 40.66 41.72 3mms h LEU 117 CO 0.58 0.94 -0.82 -0.31 -0.34 0.00 0.00 178.44 178.50 3mms s TYR 118 N -5.12 2.63 0.39 1.25 2.02 -1.26 -4.54 117.35 112.72 3mms s TYR 118 Ca -0.12 -0.60 0.08 0.00 -0.37 0.00 0.00 57.07 56.05 3mms s TYR 118 Cb 0.12 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 3mms s TYR 118 CO 0.82 -0.14 0.41 -0.06 -1.57 0.00 0.00 175.55 175.01 3mms s PHE 119 N -0.09 2.81 0.02 2.71 0.08 0.09 -4.92 117.98 118.68 3mms s PHE 119 Ca -0.04 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.55 3mms s PHE 119 Cb -0.14 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 3mms s PHE 119 CO 0.04 -0.11 0.09 -1.83 -0.10 0.00 0.00 175.22 173.31 3mms s GLU 120 N -4.15 0.48 0.52 0.44 -1.05 -1.26 -0.58 118.70 113.09 3mms s GLU 120 Ca 0.48 -0.56 -0.21 0.00 -0.15 0.00 0.00 54.97 54.53 3mms s GLU 120 Cb -0.06 0.19 -0.06 0.00 -0.44 0.00 0.00 34.13 33.76 3mms s GLU 120 CO 0.29 -0.11 1.14 -1.12 0.95 0.00 0.00 175.26 176.41 3mms s SER 121 N -1.65 5.87 0.13 0.83 0.01 -1.21 -4.74 113.70 112.93 3mms s SER 121 Ca -0.12 2.21 -0.35 0.00 1.31 0.00 0.00 55.95 59.01 3mms s SER 121 Cb -0.06 -2.59 -0.15 0.00 0.21 0.00 0.00 66.02 63.44 3mms s SER 121 CO -0.01 -1.12 1.52 -0.67 0.41 0.00 0.00 173.24 173.37 3mms n ASP 122 N -1.05 2.69 -0.10 2.44 2.03 0.11 -4.86 116.55 117.83 3mms n ASP 122 Ca 0.10 1.09 -0.01 0.00 0.52 0.00 0.00 54.79 56.49 3mms n ASP 122 Cb 0.50 -1.36 0.25 0.00 -0.72 0.00 0.00 41.12 39.80 3mms n ASP 122 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3mms h LYS 123 N 5.63 0.74 -0.10 -0.67 1.57 -1.91 -1.28 116.57 120.56 3mms h LYS 123 Ca -0.46 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.06 3mms h LYS 123 Cb 1.28 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3mms h LYS 123 CO 0.86 0.64 -0.56 1.79 -0.57 0.00 0.00 179.45 181.60 3mms h THR 124 N 0.73 1.36 -0.44 -0.16 1.35 -2.00 -1.47 112.91 112.28 3mms h THR 124 Ca 0.17 -1.87 -0.07 0.00 -0.55 0.00 0.00 66.41 64.09 3mms h THR 124 Cb 0.20 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 3mms h THR 124 CO -0.01 0.56 0.02 -0.26 -0.25 0.00 0.00 175.52 175.58 3mms h PHE 125 N 0.23 0.84 -0.73 4.73 0.04 -1.82 -2.07 116.94 118.16 3mms h PHE 125 Ca 0.00 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 3mms h PHE 125 Cb 1.06 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 3mms h PHE 125 CO 0.03 0.81 0.35 0.28 -0.60 0.00 0.00 178.31 179.18 3mms h VAL 126 N 0.62 1.24 -0.55 -0.55 2.07 -1.10 -0.52 116.25 117.45 3mms h VAL 126 Ca 0.13 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3mms h VAL 126 Cb 0.47 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3mms h VAL 126 CO 0.02 0.28 0.25 0.00 0.02 0.00 0.00 177.57 178.14 3mms h ALA 127 N 1.18 0.71 -0.40 1.67 0.00 -1.12 -2.04 119.26 119.26 3mms h ALA 127 Ca 0.25 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3mms h ALA 127 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3mms h ALA 127 CO -0.03 0.30 -0.03 1.96 0.00 0.00 0.00 179.25 181.45 3mms h GLN 128 N 0.75 0.73 0.00 0.00 4.20 -1.08 -2.84 115.11 116.87 3mms h GLN 128 Ca 0.19 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 3mms h GLN 128 Cb 0.15 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3mms h GLN 128 CO -0.02 0.83 -0.48 0.97 -0.67 0.00 0.00 178.83 179.46 3mms h ILE 129 N 0.55 1.28 -0.85 2.54 2.10 -1.00 -2.09 117.51 120.04 3mms h ILE 129 Ca 0.11 -1.68 -0.03 0.00 1.08 0.00 0.00 64.86 64.33 3mms h ILE 129 Cb 0.52 1.92 -0.04 0.00 -1.09 0.00 0.00 36.82 38.13 3mms h ILE 129 CO 0.03 0.47 0.40 1.56 -1.08 0.00 0.00 178.15 179.53 3mms h GLN 130 N 0.00 1.23 -0.46 2.19 4.20 -1.27 0.29 115.11 121.29 3mms h GLN 130 Ca -0.00 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 3mms h GLN 130 Cb 0.89 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3mms h GLN 130 CO 0.06 0.95 -0.07 0.93 -0.67 0.00 0.00 178.83 180.03 3mms h GLU 131 N 1.21 0.80 0.00 1.46 4.39 -1.17 -2.91 114.58 118.36 3mms h GLU 131 Ca 0.29 -0.25 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 3mms h GLU 131 Cb 0.13 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3mms h GLU 131 CO -0.03 0.85 -0.68 0.77 -1.16 0.00 0.00 179.01 178.76 3mms h SER 132 N 0.74 0.00 -4.15 1.42 0.02 -0.77 -3.52 113.55 107.28 3mms h SER 132 Ca 0.13 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.59 3mms h SER 132 Cb 0.54 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.14 3mms h SER 132 CO 0.03 0.68 0.39 -0.76 -1.14 0.00 0.00 176.83 176.03 3mms s LEU 133 N -6.62 3.61 0.15 5.07 1.43 0.96 -5.00 118.68 118.28 3mms s LEU 133 Ca 0.03 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3mms s LEU 133 Cb 0.09 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.76 3mms s LEU 133 CO 0.77 -1.11 0.00 1.67 0.23 0.00 0.00 176.35 177.91 3mms n GLN 138 N -1.69 -4.77 -2.25 1.70 -0.06 -1.26 -4.89 117.38 104.17 3mms n GLN 138 Ca 0.09 3.46 -0.42 0.00 -2.00 0.00 0.00 57.00 58.14 3mms n GLN 138 Cb 0.52 -3.79 -0.03 0.00 -4.06 0.00 0.00 30.24 22.89 3mms n GLN 138 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 3mms s ASN 139 N -0.46 6.91 0.08 1.69 -0.87 -1.26 -4.96 114.94 116.06 3mms s ASN 139 Ca 0.00 2.26 -0.06 0.00 -1.57 0.00 0.00 52.86 53.49 3mms s ASN 139 Cb 0.00 -2.59 -0.02 0.00 -0.02 0.00 0.00 41.25 38.62 3mms s ASN 139 CO 0.00 -0.57 0.12 -1.66 -2.57 0.00 0.00 177.10 172.41 3mms s TRP 140 N 0.87 0.30 0.07 2.20 1.48 -1.26 -1.16 118.94 121.43 3mms s TRP 140 Ca 0.61 -0.77 0.01 0.00 -1.06 0.00 0.00 56.10 54.90 3mms s TRP 140 Cb -0.35 -0.18 -0.04 0.00 -1.16 0.00 0.00 33.47 31.75 3mms s TRP 140 CO 0.32 -0.49 -0.06 -1.01 -4.06 0.00 0.00 176.95 171.64 3mms s HIS 141 N -3.89 0.69 -0.16 1.66 3.76 -0.04 -4.94 115.29 112.37 3mms s HIS 141 Ca 0.07 -0.82 0.01 0.00 -0.15 0.00 0.00 55.06 54.17 3mms s HIS 141 Cb 0.06 -0.43 0.02 0.00 1.11 0.00 0.00 32.58 33.34 3mms s HIS 141 CO -0.10 -0.19 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.25 3mms s LEU 142 N -2.51 1.91 0.00 0.89 2.96 -1.26 -0.64 118.68 120.02 3mms s LEU 142 Ca 0.03 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3mms s LEU 142 Cb 0.01 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 45.38 3mms s LEU 142 CO -0.04 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 3mms n GLY 143 N 4.58 -0.55 3.72 7.98 0.00 -0.81 -4.90 105.19 115.21 3mms n GLY 143 Ca -0.19 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 3mms n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mms s LEU 144 N 0.00 4.40 -0.13 0.99 2.96 -1.26 -1.46 118.68 124.19 3mms s LEU 144 Ca 0.00 1.64 -0.00 0.00 -0.22 0.00 0.00 54.13 55.55 3mms s LEU 144 Cb 0.00 -3.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.16 3mms s LEU 144 CO 0.00 -0.19 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.08 3mms s ILE 145 N 0.70 3.00 -0.15 6.68 1.01 -0.82 -0.47 121.20 131.15 3mms s ILE 145 Ca 0.49 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 3mms s ILE 145 Cb -0.21 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3mms s ILE 145 CO 0.27 0.52 0.04 0.00 0.00 0.00 0.00 174.94 175.78 3mms s ALA 146 N 0.37 3.35 0.00 9.38 0.00 -0.60 -2.76 121.76 131.50 3mms s ALA 146 Ca -0.11 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3mms s ALA 146 Cb -0.16 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3mms s ALA 146 CO 0.06 0.31 -0.08 0.99 0.00 0.00 0.00 175.76 177.04 3mms s THR 147 N -0.03 3.54 0.01 0.00 2.01 0.59 -2.28 115.64 119.48 3mms s THR 147 Ca 0.05 -0.79 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 3mms s THR 147 Cb -0.12 -2.52 0.06 0.00 0.01 0.00 0.00 72.50 69.92 3mms s THR 147 CO 0.01 0.41 0.56 -0.83 -0.69 0.00 0.00 174.62 174.08 3mms s GLY 148 N -1.35 -0.46 -1.52 4.40 0.00 -0.86 -0.75 107.32 106.78 3mms s GLY 148 Ca 0.16 0.81 -0.09 0.00 0.00 0.00 0.00 44.72 45.61 3mms s GLY 148 CO 0.07 0.50 2.70 1.22 0.00 0.00 0.00 173.10 177.59 3mms n ASP 149 N 0.62 7.97 -3.58 1.64 8.00 -1.26 -4.04 116.55 125.90 3mms n ASP 149 Ca -0.19 -2.76 -0.15 0.00 0.71 0.00 0.00 54.79 52.39 3mms n ASP 149 Cb 0.59 -1.52 -0.07 0.00 -0.02 0.00 0.00 41.12 40.11 3mms n ASP 149 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3mms s SER 150 N 1.76 -0.69 -0.28 -2.24 0.01 -1.26 -5.08 113.70 105.91 3mms s SER 150 Ca 0.62 1.10 -0.17 0.00 1.31 0.00 0.00 55.95 58.82 3mms s SER 150 Cb 0.17 1.04 -0.03 0.00 0.21 0.00 0.00 66.02 67.42 3mms s SER 150 CO -0.07 -0.39 0.47 0.12 0.41 0.00 0.00 173.24 173.77 3mms s PHE 151 N -0.30 3.24 -0.21 2.43 5.36 -1.26 -4.70 117.98 122.55 3mms s PHE 151 Ca -0.04 0.48 -0.29 0.00 -0.96 0.00 0.00 56.93 56.12 3mms s PHE 151 Cb -0.03 -2.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 3mms s PHE 151 CO 0.04 -0.31 1.01 0.08 -1.46 0.00 0.00 175.22 174.59 3mms s VAL 152 N 2.24 4.71 -0.41 3.12 1.01 -1.26 -4.95 120.40 124.86 3mms s VAL 152 Ca 0.19 1.99 0.09 0.00 0.00 0.00 0.00 61.98 64.25 3mms s VAL 152 Cb -0.16 -4.29 0.30 0.00 0.00 0.00 0.00 36.38 32.23 3mms s VAL 152 CO 0.10 -0.14 0.79 0.00 0.00 0.00 0.00 175.10 175.85 3mms n ALA 153 N 6.05 1.00 0.00 5.51 0.00 -1.22 -4.33 120.51 127.52 3mms n ALA 153 Ca 0.11 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.86 3mms n ALA 153 Cb 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3mms n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mms n GLY 154 N 0.77 2.22 0.23 0.00 0.00 -0.55 -3.99 105.19 103.88 3mms n GLY 154 Ca 0.18 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.16 3mms n GLY 154 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mms h ASN 155 N 0.00 0.04 -0.56 1.61 2.35 -1.88 -1.68 115.58 115.45 3mms h ASN 155 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3mms h ASN 155 Cb 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3mms h ASN 155 CO 0.00 0.20 0.31 -2.24 -1.65 0.00 0.00 177.43 174.05 3mms h ASP 156 N 0.04 0.70 -0.25 5.81 2.03 -1.95 -0.06 116.42 122.74 3mms h ASP 156 Ca 0.01 -0.09 -0.14 0.00 -0.73 0.00 0.00 57.03 56.08 3mms h ASP 156 Cb 0.29 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 3mms h ASP 156 CO 0.02 0.59 -0.33 0.50 -1.03 0.00 0.00 179.24 178.99 3mms h LYS 157 N 0.76 0.77 -0.44 4.15 3.64 -1.75 -1.59 116.57 122.11 3mms h LYS 157 Ca 0.20 -0.37 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3mms h LYS 157 Cb 0.04 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3mms h LYS 157 CO -0.03 0.99 0.25 0.82 -2.27 0.00 0.00 179.45 179.21 3mms h ILE 158 N 0.65 1.03 -0.40 2.00 2.04 -1.02 -1.03 117.51 120.78 3mms h ILE 158 Ca 0.07 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 3mms h ILE 158 Cb 0.87 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3mms h ILE 158 CO 0.08 0.09 -0.18 -0.33 0.00 0.00 0.00 178.15 177.81 3mms h GLU 159 N 0.51 0.77 -0.35 2.37 4.39 -0.87 0.11 114.58 121.52 3mms h GLU 159 Ca 0.18 -0.29 0.05 0.00 0.34 0.00 0.00 59.36 59.64 3mms h GLU 159 Cb 0.03 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3mms h GLU 159 CO -0.09 0.90 0.09 0.00 -1.16 0.00 0.00 179.01 178.74 3mms h ALA 160 N 1.11 0.38 -0.46 3.43 0.00 -0.97 -0.66 119.26 122.10 3mms h ALA 160 Ca 0.10 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3mms h ALA 160 Cb 0.68 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3mms h ALA 160 CO 0.05 -0.32 0.08 0.82 0.00 0.00 0.00 179.25 179.89 3mms h ILE 161 N 0.21 1.24 0.00 0.00 2.04 -0.65 -2.62 117.51 117.73 3mms h ILE 161 Ca 0.16 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3mms h ILE 161 Cb 0.17 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3mms h ILE 161 CO -0.20 0.31 -0.16 0.11 0.00 0.00 0.00 178.15 178.21 3mms h LYS 162 N 0.62 0.00 0.00 2.37 1.57 -0.77 -0.02 116.57 120.34 3mms h LYS 162 Ca 0.14 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3mms h LYS 162 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3mms h LYS 162 CO 0.01 0.16 -0.22 0.66 -0.57 0.00 0.00 179.45 179.49 3mms h SER 163 N 0.00 0.00 0.13 0.86 4.64 -0.73 -1.81 113.55 116.64 3mms h SER 163 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 3mms h SER 163 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3mms h SER 163 CO 0.02 0.22 -2.05 1.41 -0.87 0.00 0.00 176.83 175.56 3mms n HIS 164 N -3.55 1.07 -3.69 4.77 8.25 -0.68 -4.71 115.22 116.68 3mms n HIS 164 Ca -0.01 0.23 -0.28 0.00 -0.26 0.00 0.00 57.72 57.40 3mms n HIS 164 Cb 0.37 -1.14 -0.12 0.00 1.12 0.00 0.00 29.99 30.22 3mms n HIS 164 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3mms s PHE 165 N -2.56 2.34 0.59 4.41 0.08 -0.11 -4.98 117.98 117.75 3mms s PHE 165 Ca -0.23 -2.77 0.29 0.00 0.12 0.00 0.00 56.93 54.34 3mms s PHE 165 Cb 0.07 -1.91 1.67 0.00 -0.57 0.00 0.00 43.02 42.28 3mms s PHE 165 CO 0.75 -0.70 2.11 -1.00 -0.10 0.00 0.00 175.22 176.28 3mms h PRO 166 N 5.85 0.00 -0.23 0.24 0.13 -1.59 -1.73 132.00 134.68 3mms h PRO 166 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3mms h PRO 166 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3mms h PRO 166 CO 0.54 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.70 3mms n GLU 167 N -3.80 1.87 -1.70 0.86 -0.58 -1.26 -4.96 120.64 111.07 3mms n GLU 167 Ca 0.01 -1.31 -0.44 0.00 -0.42 0.00 0.00 57.16 55.01 3mms n GLU 167 Cb 0.30 -1.40 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 3mms n GLU 167 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3mms n VAL 168 N 0.54 1.09 -0.13 2.62 3.14 -0.65 -4.41 118.33 120.53 3mms n VAL 168 Ca 0.16 -0.27 -0.18 0.00 -2.96 0.00 0.00 64.34 61.09 3mms n VAL 168 Cb 0.37 -1.64 -0.12 0.00 -1.06 0.00 0.00 33.84 31.38 3mms n VAL 168 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3mms n LEU 169 N 2.01 2.79 -3.80 6.55 4.77 0.38 -4.16 117.00 125.54 3mms n LEU 169 Ca 0.10 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 3mms n LEU 169 Cb 0.34 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 3mms n LEU 169 CO 0.63 0.91 0.01 0.00 -1.33 0.00 0.00 177.39 177.61 3mms s ALA 170 N -2.52 -0.44 0.03 -1.18 0.00 -1.22 -1.53 121.76 114.90 3mms s ALA 170 Ca -0.33 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.22 3mms s ALA 170 Cb 0.09 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3mms s ALA 170 CO 0.62 -0.58 -0.17 0.14 0.00 0.00 0.00 175.76 175.76 3mms s VAL 171 N -3.86 1.37 0.21 0.00 -7.23 -0.12 -1.56 120.40 109.21 3mms s VAL 171 Ca 0.06 -0.99 -0.21 0.00 -1.81 0.00 0.00 61.98 59.02 3mms s VAL 171 Cb 0.03 -1.19 0.07 0.00 0.56 0.00 0.00 36.38 35.86 3mms s VAL 171 CO -0.09 0.18 1.00 -1.83 -0.31 0.00 0.00 175.10 174.04 3mms s GLU 172 N -0.95 1.44 0.00 4.82 4.04 -0.97 -1.28 118.70 125.80 3mms s GLU 172 Ca 0.05 -0.92 0.21 0.00 0.04 0.00 0.00 54.97 54.35 3mms s GLU 172 Cb -0.08 0.40 0.57 0.00 0.02 0.00 0.00 34.13 35.04 3mms s GLU 172 CO 0.01 -0.67 1.48 -1.33 -1.84 0.00 0.00 175.26 172.90 3mms n MET 173 N -0.67 2.69 0.00 -4.83 2.81 -1.26 -2.03 117.12 113.83 3mms n MET 173 Ca -0.04 -2.52 0.00 0.00 -1.81 0.00 0.00 57.70 53.33 3mms n MET 173 Cb 0.60 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 3mms n MET 173 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3mms n GLU 174 N 1.49 0.90 -0.28 0.03 4.71 -1.26 -3.18 120.64 123.04 3mms n GLU 174 Ca 0.22 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.28 3mms n GLU 174 Cb 0.59 -0.58 -0.06 0.00 -1.01 0.00 0.00 31.44 30.39 3mms n GLU 174 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3mms h GLY 175 N 0.00 -0.61 2.00 0.62 0.00 -1.95 0.10 103.07 103.23 3mms h GLY 175 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 47.33 47.94 3mms h GLY 175 CO 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 176.54 176.20 3mms h ALA 176 N 0.56 1.18 -0.16 3.60 0.00 -1.88 -0.21 119.26 122.35 3mms h ALA 176 Ca 0.18 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3mms h ALA 176 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mms h ALA 176 CO -0.79 0.30 -0.32 0.00 0.00 0.00 0.00 179.25 178.45 3mms h ALA 177 N 1.76 0.26 -0.58 0.00 0.00 -1.39 0.12 119.26 119.42 3mms h ALA 177 Ca -0.00 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.51 3mms h ALA 177 Cb 0.60 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3mms h ALA 177 CO 0.03 0.29 0.36 0.82 0.00 0.00 0.00 179.25 180.76 3mms h ILE 178 N 0.14 1.08 -0.54 0.00 1.08 -0.56 -0.97 117.51 117.73 3mms h ILE 178 Ca 0.01 -0.25 -0.11 0.00 -0.39 0.00 0.00 64.86 64.12 3mms h ILE 178 Cb 0.91 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 3mms h ILE 178 CO 0.07 0.13 -0.10 0.00 -0.69 0.00 0.00 178.15 177.56 3mms h ALA 179 N 1.25 0.79 -0.43 1.87 0.00 -0.98 0.18 119.26 121.94 3mms h ALA 179 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mms h ALA 179 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3mms h ALA 179 CO -0.09 0.67 0.28 0.37 0.00 0.00 0.00 179.25 180.47 3mms h GLN 180 N 0.91 0.58 -0.28 0.00 4.15 -0.53 -0.44 115.11 119.50 3mms h GLN 180 Ca 0.14 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 3mms h GLN 180 Cb 0.67 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 3mms h GLN 180 CO 0.05 0.40 0.02 0.00 -1.93 0.00 0.00 178.83 177.36 3mms h ALA 181 N 1.14 0.37 -0.54 3.38 0.00 -0.94 -1.71 119.26 120.97 3mms h ALA 181 Ca 0.16 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mms h ALA 181 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3mms h ALA 181 CO -0.03 0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.64 3mms h ALA 182 N 0.84 0.69 -0.62 0.00 0.00 -0.50 -1.03 119.26 118.65 3mms h ALA 182 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3mms h ALA 182 Cb 0.39 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3mms h ALA 182 CO 0.01 0.05 0.23 1.25 0.00 0.00 0.00 179.25 180.78 3mms h HIS 183 N 0.65 0.97 -0.36 0.00 6.17 -0.97 0.11 115.15 121.72 3mms h HIS 183 Ca 0.21 -0.08 -0.03 0.00 0.71 0.00 0.00 60.37 61.18 3mms h HIS 183 Cb 0.01 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 29.64 3mms h HIS 183 CO -0.06 0.78 0.11 0.00 0.71 0.00 0.00 177.93 179.47 3mms h ALA 184 N 1.08 1.52 -0.60 5.26 0.00 -0.84 -2.19 119.26 123.49 3mms h ALA 184 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mms h ALA 184 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3mms h ALA 184 CO -0.01 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.88 3mms n LEU 185 N -4.36 3.74 -3.50 0.00 4.77 -0.43 -4.95 117.00 112.26 3mms n LEU 185 Ca 0.02 -1.88 -0.19 0.00 -0.03 0.00 0.00 56.01 53.93 3mms n LEU 185 Cb 0.17 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.87 3mms n LEU 185 CO 0.37 0.78 0.15 -3.20 -1.33 0.00 0.00 177.39 174.16 3mms n ASN 186 N 1.16 -3.40 -4.16 -1.43 5.15 -0.44 -5.02 115.26 107.11 3mms n ASN 186 Ca 0.22 -0.60 -0.26 0.00 -0.60 0.00 0.00 54.58 53.34 3mms n ASN 186 Cb 0.65 -5.06 -0.16 0.00 -0.53 0.00 0.00 39.78 34.69 3mms n ASN 186 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3mms s LEU 187 N -6.68 1.99 0.42 1.20 1.43 0.24 -5.02 118.68 112.25 3mms s LEU 187 Ca 0.19 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 3mms s LEU 187 Cb -0.08 -0.95 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 3mms s LEU 187 CO 0.73 0.19 1.03 -2.16 0.23 0.00 0.00 176.35 176.38 3mms s PRO 188 N -0.23 4.12 0.04 1.29 0.04 -1.26 -4.16 135.00 134.84 3mms s PRO 188 Ca 0.02 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.52 3mms s PRO 188 Cb -0.09 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 3mms s PRO 188 CO 0.00 -0.17 -0.06 0.54 0.04 0.00 0.00 177.00 177.35 3mms s VAL 189 N -1.76 0.45 -0.09 -0.36 0.11 -1.26 -1.24 120.40 116.24 3mms s VAL 189 Ca 0.60 -1.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 3mms s VAL 189 Cb -0.20 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 3mms s VAL 189 CO 0.25 -0.47 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.17 3mms s LEU 190 N -1.73 1.73 -0.19 2.54 2.96 -0.50 0.05 118.68 123.55 3mms s LEU 190 Ca -0.09 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3mms s LEU 190 Cb -0.08 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 3mms s LEU 190 CO -0.01 0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.29 3mms s VAL 191 N 0.79 3.10 0.00 1.68 1.01 -1.26 -0.77 120.40 124.95 3mms s VAL 191 Ca -0.11 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3mms s VAL 191 Cb -0.16 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3mms s VAL 191 CO 0.02 0.47 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 3mms s ILE 192 N 1.18 1.47 0.02 2.22 1.01 -0.17 -1.62 121.20 125.31 3mms s ILE 192 Ca 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 3mms s ILE 192 Cb -0.14 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 3mms s ILE 192 CO -0.03 0.33 0.12 -0.13 0.00 0.00 0.00 174.94 175.23 3mms s ARG 193 N -0.66 0.53 0.06 2.79 1.81 -0.57 -2.98 118.95 119.93 3mms s ARG 193 Ca 0.07 -0.56 0.09 0.00 -1.72 0.00 0.00 55.73 53.61 3mms s ARG 193 Cb -0.08 0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 34.61 3mms s ARG 193 CO 0.00 -0.13 -0.23 0.00 -0.68 0.00 0.00 175.30 174.26 3mms s ALA 194 N -1.92 2.43 -0.12 2.13 0.00 0.13 -0.33 121.76 124.07 3mms s ALA 194 Ca -0.11 -1.28 -0.27 0.00 0.00 0.00 0.00 51.96 50.30 3mms s ALA 194 Cb -0.05 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3mms s ALA 194 CO -0.01 0.55 0.89 -1.64 0.00 0.00 0.00 175.76 175.55 3mms s MET 195 N -1.51 4.37 -0.01 0.00 1.00 0.35 -1.51 119.30 121.99 3mms s MET 195 Ca 0.14 1.16 0.15 0.00 0.00 0.00 0.00 55.69 57.14 3mms s MET 195 Cb -0.10 -3.54 -0.20 0.00 0.00 0.00 0.00 34.83 30.99 3mms s MET 195 CO 0.04 -0.26 0.51 -1.13 0.00 0.00 0.00 175.02 174.18 3mms n SER 196 N 4.91 1.02 -2.71 3.03 3.41 -0.57 -0.50 113.62 122.21 3mms n SER 196 Ca 0.05 -0.49 -0.05 0.00 -0.26 0.00 0.00 58.87 58.12 3mms n SER 196 Cb 0.49 1.30 0.02 0.00 -0.26 0.00 0.00 64.21 65.76 3mms n SER 196 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mms n ASP 197 N -1.64 -1.75 -0.80 4.04 5.68 -1.25 -3.89 116.55 116.94 3mms n ASP 197 Ca 0.00 -2.10 0.07 0.00 -0.50 0.00 0.00 54.79 52.26 3mms n ASP 197 Cb 0.31 2.88 0.20 0.00 -1.14 0.00 0.00 41.12 43.37 3mms n ASP 197 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3mms n ASN 198 N -1.34 3.32 -1.95 -1.12 3.02 -1.26 -0.41 115.26 115.53 3mms n ASN 198 Ca -0.05 -2.26 -0.18 0.00 -0.03 0.00 0.00 54.58 52.06 3mms n ASN 198 Cb 0.50 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 3mms n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mms n ALA 199 N 0.39 -0.46 -2.34 5.41 0.00 -1.26 -4.61 120.51 117.63 3mms n ALA 199 Ca 0.15 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3mms n ALA 199 Cb 0.57 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3mms n ALA 199 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mms n ASN 200 N -1.48 0.00 0.28 0.00 0.23 -1.26 -1.48 115.26 111.55 3mms n ASN 200 Ca -0.20 -0.35 0.19 0.00 -0.53 0.00 0.00 54.58 53.69 3mms n ASN 200 Cb 0.63 0.00 0.97 0.00 -2.08 0.00 0.00 39.78 39.29 3mms n ASN 200 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 3mms h HIS 201 N -0.00 0.00 -0.52 -2.53 -0.00 -1.88 -1.07 115.15 109.14 3mms h HIS 201 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3mms h HIS 201 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3mms h HIS 201 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.93 178.32 3mms n GLU 202 N -2.83 3.05 -0.31 5.12 -0.58 -1.26 -4.74 120.64 119.09 3mms n GLU 202 Ca -0.02 -2.51 -0.03 0.00 -0.42 0.00 0.00 57.16 54.18 3mms n GLU 202 Cb 0.10 -1.56 0.08 0.00 -0.57 0.00 0.00 31.44 29.49 3mms n GLU 202 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mms h ALA 203 N 3.15 1.08 -0.29 0.62 0.00 -1.52 -0.67 119.26 121.63 3mms h ALA 203 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3mms h ALA 203 Cb 1.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3mms h ALA 203 CO 0.08 0.48 -0.05 -2.95 0.00 0.00 0.00 179.25 176.81 3mms h ASN 204 N 1.14 0.43 -0.16 0.00 7.08 -1.85 0.78 115.58 123.00 3mms h ASN 204 Ca 0.31 -0.09 -0.04 0.00 -3.08 0.00 0.00 56.30 53.40 3mms h ASN 204 Cb -0.12 -0.11 -0.00 0.00 -2.08 0.00 0.00 38.32 36.00 3mms h ASN 204 CO -0.07 0.54 -0.07 0.40 -2.08 0.00 0.00 177.43 176.14 3mms h ILE 205 N 0.44 1.31 -0.00 6.14 1.08 -1.50 -2.15 117.51 122.83 3mms h ILE 205 Ca 0.09 -1.10 -0.18 0.00 -0.39 0.00 0.00 64.86 63.28 3mms h ILE 205 Cb 0.36 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 3mms h ILE 205 CO 0.02 0.33 -0.81 -0.26 -0.69 0.00 0.00 178.15 176.73 3mms h PHE 206 N 0.02 0.16 -0.21 1.37 0.04 -1.25 -2.49 116.94 114.58 3mms h PHE 206 Ca 0.04 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3mms h PHE 206 Cb 0.54 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 3mms h PHE 206 CO 0.06 0.87 0.05 0.35 -0.60 0.00 0.00 178.31 179.04 3mms h PHE 207 N 0.06 0.08 -0.87 -0.55 3.04 -0.86 -0.49 116.94 117.36 3mms h PHE 207 Ca -0.02 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.95 3mms h PHE 207 Cb 1.42 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.87 3mms h PHE 207 CO 0.02 0.03 0.58 -0.44 -2.02 0.00 0.00 178.31 176.47 3mms h ASP 208 N 0.13 0.99 0.12 0.41 3.32 -1.19 0.67 116.42 120.87 3mms h ASP 208 Ca 0.09 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 3mms h ASP 208 Cb 0.08 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3mms h ASP 208 CO -0.12 0.71 -0.74 -0.33 -1.72 0.00 0.00 179.24 177.04 3mms h GLU 209 N 1.17 0.54 -0.13 3.56 4.39 -1.02 -3.37 114.58 119.72 3mms h GLU 209 Ca 0.32 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3mms h GLU 209 Cb -0.11 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3mms h GLU 209 CO -0.07 1.07 0.00 1.19 -1.16 0.00 0.00 179.01 180.03 3mms n PHE 210 N -3.87 0.16 -0.29 4.33 3.72 -0.23 -4.63 117.46 116.65 3mms n PHE 210 Ca -0.05 -0.15 0.03 0.00 -0.05 0.00 0.00 57.45 57.22 3mms n PHE 210 Cb 0.72 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 39.41 3mms n PHE 210 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3mms h ILE 211 N 2.52 0.91 -0.29 4.37 6.09 -1.03 0.07 117.51 130.15 3mms h ILE 211 Ca 0.00 -0.27 -0.03 0.00 -1.37 0.00 0.00 64.86 63.19 3mms h ILE 211 Cb 0.61 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 37.95 3mms h ILE 211 CO 0.00 0.14 0.07 0.40 -3.07 0.00 0.00 178.15 175.69 3mms h ILE 212 N 0.78 1.22 -0.20 2.19 2.04 -1.85 0.92 117.51 122.61 3mms h ILE 212 Ca 0.39 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3mms h ILE 212 Cb 0.35 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3mms h ILE 212 CO -0.24 0.24 0.13 -0.08 0.00 0.00 0.00 178.15 178.20 3mms h GLU 213 N 0.30 0.27 -0.58 2.37 4.57 -1.77 -0.84 114.58 118.90 3mms h GLU 213 Ca 0.09 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3mms h GLU 213 Cb 0.30 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3mms h GLU 213 CO 0.00 0.19 0.26 0.00 -1.18 0.00 0.00 179.01 178.28 3mms h ALA 214 N 1.06 0.75 -0.61 2.92 0.00 -0.81 -0.40 119.26 122.16 3mms h ALA 214 Ca 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3mms h ALA 214 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3mms h ALA 214 CO -0.02 0.34 0.40 0.78 0.00 0.00 0.00 179.25 180.76 3mms h GLY 215 N 0.79 0.86 0.94 0.00 0.00 -0.63 -1.74 103.07 103.29 3mms h GLY 215 Ca 0.20 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3mms h GLY 215 CO -0.02 0.31 -0.00 -0.09 0.00 0.00 0.00 176.54 176.74 3mms h ARG 216 N 0.82 0.69 -0.83 4.80 2.43 -0.80 -1.96 114.38 119.53 3mms h ARG 216 Ca 0.22 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3mms h ARG 216 Cb -0.09 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 3mms h ARG 216 CO -0.05 0.78 0.53 0.00 -1.51 0.00 0.00 179.97 179.72 3mms h ARG 217 N 0.51 1.11 -0.51 0.20 3.08 -0.81 0.13 114.38 118.09 3mms h ARG 217 Ca 0.11 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3mms h ARG 217 Cb 0.47 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3mms h ARG 217 CO 0.02 0.75 -0.00 1.03 -1.07 0.00 0.00 179.97 180.70 3mms h SER 218 N 1.13 0.88 -0.37 7.04 0.87 -1.27 -2.48 113.55 119.34 3mms h SER 218 Ca 0.30 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 3mms h SER 218 Cb -0.10 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 3mms h SER 218 CO -0.06 0.97 0.08 0.00 -0.53 0.00 0.00 176.83 177.29 3mms h ALA 219 N 0.94 1.30 -0.40 6.23 0.00 -0.66 -1.39 119.26 125.28 3mms h ALA 219 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3mms h ALA 219 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3mms h ALA 219 CO 0.03 0.49 -0.15 1.96 0.00 0.00 0.00 179.25 181.57 3mms h GLN 220 N 0.66 0.74 -0.42 0.00 4.20 -0.48 0.35 115.11 120.17 3mms h GLN 220 Ca 0.15 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 3mms h GLN 220 Cb 0.29 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3mms h GLN 220 CO 0.00 0.85 -0.05 0.28 -0.67 0.00 0.00 178.83 179.24 3mms h VAL 221 N 0.66 1.27 -0.73 -0.54 2.07 -1.00 -1.44 116.25 116.54 3mms h VAL 221 Ca 0.11 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.53 3mms h VAL 221 Cb 0.63 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3mms h VAL 221 CO 0.04 0.38 0.47 0.25 0.02 0.00 0.00 177.57 178.73 3mms h LEU 222 N 0.60 0.80 -0.65 2.57 6.46 -0.76 -0.92 115.31 123.42 3mms h LEU 222 Ca 0.11 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 3mms h LEU 222 Cb 0.56 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 3mms h LEU 222 CO 0.03 0.57 0.20 -0.07 -0.62 0.00 0.00 178.44 178.55 3mms h LEU 223 N 0.95 0.94 -1.05 2.25 3.38 -0.74 -0.75 115.31 120.29 3mms h LEU 223 Ca 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3mms h LEU 223 Cb -0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3mms h LEU 223 CO -0.08 0.91 0.48 0.00 0.09 0.00 0.00 178.44 179.84 3mms h ALA 224 N 1.08 1.28 -0.40 1.53 0.00 -0.72 -0.51 119.26 121.51 3mms h ALA 224 Ca 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3mms h ALA 224 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3mms h ALA 224 CO -0.01 0.60 0.14 0.35 0.00 0.00 0.00 179.25 180.34 3mms h PHE 225 N 1.15 0.63 -0.24 0.00 3.57 -0.67 -2.81 116.94 118.57 3mms h PHE 225 Ca 0.30 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3mms h PHE 225 Cb -0.02 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3mms h PHE 225 CO 0.01 0.58 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.38 3mms h LEU 226 N 0.50 0.43 -1.59 0.59 3.38 -0.51 -0.50 115.31 117.62 3mms h LEU 226 Ca 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3mms h LEU 226 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3mms h LEU 226 CO -0.01 0.66 -0.07 0.11 0.09 0.00 0.00 178.44 179.22 3mms h LYS 227 N 0.39 0.17 0.00 1.13 1.57 -0.94 -2.82 116.57 116.08 3mms h LYS 227 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mms h LYS 227 Cb 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3mms h LYS 227 CO 0.04 0.26 -1.31 0.00 -0.57 0.00 0.00 179.45 177.87 3mms n ALA 228 N -2.50 2.65 1.31 3.86 0.00 -0.98 -5.11 120.51 119.74 3mms n ALA 228 Ca -0.01 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.21 3mms n ALA 228 Cb 0.20 -0.99 0.62 0.00 0.00 0.00 0.00 19.45 19.29 3mms n ALA 228 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39