#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1e n ASP 10 N 0.00 3.38 -4.80 4.39 10.43 -1.26 -5.00 116.55 123.68 1n1e n ASP 10 Ca 0.00 -3.18 -0.38 0.00 2.57 0.00 0.00 54.79 53.80 1n1e n ASP 10 Cb 0.00 -0.55 -0.06 0.00 1.84 0.00 0.00 41.12 42.35 1n1e n ASP 10 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1n1e s GLU 11 N -2.93 4.33 0.53 -1.24 2.02 -1.26 -5.04 118.70 115.12 1n1e s GLU 11 Ca 0.41 0.92 -0.19 0.00 0.02 0.00 0.00 54.97 56.13 1n1e s GLU 11 Cb 0.35 -3.07 -0.07 0.00 0.10 0.00 0.00 34.13 31.44 1n1e s GLU 11 CO 0.06 0.50 1.08 -0.51 0.02 0.00 0.00 175.26 176.42 1n1e s LEU 12 N -1.54 3.76 0.05 1.80 1.43 -1.26 -4.89 118.68 118.02 1n1e s LEU 12 Ca 0.38 2.03 0.03 0.00 -1.03 0.00 0.00 54.13 55.54 1n1e s LEU 12 Cb -0.19 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.42 1n1e s LEU 12 CO 0.22 -1.04 0.03 -0.76 0.23 0.00 0.00 176.35 175.03 1n1e s LEU 13 N -3.76 3.60 0.00 1.79 1.43 -0.34 -4.99 118.68 116.40 1n1e s LEU 13 Ca 0.69 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1n1e s LEU 13 Cb -0.20 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1n1e s LEU 13 CO 0.25 0.22 -0.20 -0.31 0.23 0.00 0.00 176.35 176.54 1n1e s TYR 14 N -1.24 1.81 0.32 0.29 1.51 -1.26 -4.35 117.35 114.43 1n1e s TYR 14 Ca 0.24 -0.35 0.09 0.00 -1.01 0.00 0.00 57.07 56.04 1n1e s TYR 14 Cb -0.12 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 1n1e s TYR 14 CO 0.16 0.00 0.03 -0.51 -1.11 0.00 0.00 175.55 174.12 1n1e s LEU 15 N -0.67 3.06 0.05 -1.29 1.43 -0.57 -5.02 118.68 115.68 1n1e s LEU 15 Ca 0.08 -0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 52.13 1n1e s LEU 15 Cb -0.08 -1.49 -0.18 0.00 0.03 0.00 0.00 46.19 44.46 1n1e s LEU 15 CO -0.00 -0.19 1.23 0.78 0.23 0.00 0.00 176.35 178.40 1n1e h ASN 16 N 1.79 0.67 -4.23 2.29 2.35 -1.93 -2.62 115.58 113.91 1n1e h ASN 16 Ca -0.43 -0.65 -0.10 0.00 -0.55 0.00 0.00 56.30 54.56 1n1e h ASN 16 Cb 1.25 -0.20 -0.22 0.00 0.05 0.00 0.00 38.32 39.20 1n1e h ASN 16 CO 0.64 1.22 -0.15 -0.75 -1.65 0.00 0.00 177.43 176.74 1n1e s LYS 17 N -3.64 0.63 0.11 0.81 2.20 -1.26 -1.53 119.74 117.06 1n1e s LYS 17 Ca -0.12 0.45 0.07 0.00 -0.36 0.00 0.00 55.97 56.01 1n1e s LYS 17 Cb 0.06 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1n1e s LYS 17 CO 0.84 -0.12 -0.19 0.00 -0.36 0.00 0.00 175.35 175.53 1n1e s ALA 18 N -0.21 1.68 -0.04 3.13 0.00 -0.81 -1.20 121.76 124.31 1n1e s ALA 18 Ca -0.04 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.75 1n1e s ALA 18 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1n1e s ALA 18 CO 0.02 0.28 -0.23 0.54 0.00 0.00 0.00 175.76 176.38 1n1e s VAL 19 N -1.40 1.86 -0.25 0.00 0.11 -0.87 -1.76 120.40 118.09 1n1e s VAL 19 Ca 0.06 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1n1e s VAL 19 Cb -0.09 -1.57 0.03 0.00 -1.53 0.00 0.00 36.38 33.22 1n1e s VAL 19 CO 0.04 0.52 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.58 1n1e s VAL 20 N -0.21 2.80 -0.55 2.04 1.01 0.15 -1.36 120.40 124.28 1n1e s VAL 20 Ca -0.01 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 1n1e s VAL 20 Cb -0.12 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.89 1n1e s VAL 20 CO 0.02 0.18 0.76 -0.36 0.00 0.00 0.00 175.10 175.70 1n1e s PHE 21 N 1.30 2.93 0.00 5.22 0.40 -0.06 -0.76 117.98 127.01 1n1e s PHE 21 Ca -0.01 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1n1e s PHE 21 Cb -0.17 -3.84 0.00 0.00 0.51 0.00 0.00 43.02 39.52 1n1e s PHE 21 CO -0.05 -1.23 0.00 0.41 0.70 0.00 0.00 175.22 175.05 1n1e n GLY 22 N 5.20 2.43 1.32 4.36 0.00 -1.22 0.13 105.19 117.41 1n1e n GLY 22 Ca -0.05 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1n1e n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n1e n SER 23 N 0.00 3.88 -2.30 1.61 3.41 -1.23 -4.06 113.62 114.93 1n1e n SER 23 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1n1e n SER 23 Cb 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1n1e n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n1e n GLY 24 N 1.62 -1.57 0.14 5.00 0.00 -1.26 -4.66 105.19 104.46 1n1e n GLY 24 Ca 0.24 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 1n1e n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1e h ALA 25 N -2.00 0.21 0.01 4.61 0.00 -1.94 -1.62 119.26 118.53 1n1e h ALA 25 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 1n1e h ALA 25 Cb 0.00 0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1n1e h ALA 25 CO 0.00 -0.46 -1.05 0.35 0.00 0.00 0.00 179.25 178.09 1n1e h PHE 26 N 0.01 0.99 -0.86 0.00 -0.00 -1.93 -1.13 116.94 114.02 1n1e h PHE 26 Ca 0.14 -0.55 0.02 0.00 -0.00 0.00 0.00 57.97 57.59 1n1e h PHE 26 Cb 0.22 -0.11 -0.05 0.00 -0.00 0.00 0.00 35.95 36.01 1n1e h PHE 26 CO -0.28 1.38 0.56 0.78 -0.00 0.00 0.00 178.31 180.75 1n1e h GLY 27 N 0.51 1.23 0.96 2.40 0.00 -1.70 0.50 103.07 106.97 1n1e h GLY 27 Ca -0.13 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1n1e h GLY 27 CO 0.20 0.39 -0.11 -0.84 0.00 0.00 0.00 176.54 176.18 1n1e h THR 28 N 1.11 1.28 -0.45 4.70 2.02 -1.24 -0.79 112.91 119.53 1n1e h THR 28 Ca 0.33 -1.20 0.05 0.00 0.77 0.00 0.00 66.41 66.37 1n1e h THR 28 Cb -0.04 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1n1e h THR 28 CO -0.10 0.39 0.18 0.00 0.37 0.00 0.00 175.52 176.37 1n1e h ALA 29 N 0.82 0.55 -0.05 6.16 0.00 -0.85 -1.23 119.26 124.66 1n1e h ALA 29 Ca 0.09 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1n1e h ALA 29 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1n1e h ALA 29 CO 0.04 -0.20 -0.41 -0.07 0.00 0.00 0.00 179.25 178.61 1n1e h LEU 30 N 0.37 0.11 -1.13 0.00 3.38 -0.79 -1.84 115.31 115.41 1n1e h LEU 30 Ca 0.21 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1n1e h LEU 30 Cb 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1n1e h LEU 30 CO -0.19 0.51 0.10 0.00 0.09 0.00 0.00 178.44 178.95 1n1e h ALA 31 N 1.49 1.30 -0.70 1.53 0.00 -0.66 -0.56 119.26 121.66 1n1e h ALA 31 Ca 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1n1e h ALA 31 Cb 0.77 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1n1e h ALA 31 CO 0.06 0.49 0.19 0.52 0.00 0.00 0.00 179.25 180.51 1n1e h MET 32 N 0.68 1.11 0.18 0.00 2.86 -0.44 0.19 114.93 119.51 1n1e h MET 32 Ca 0.15 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1n1e h MET 32 Cb 0.28 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1n1e h MET 32 CO 0.00 0.97 -0.08 0.28 1.06 0.00 0.00 176.91 179.13 1n1e h VAL 33 N 1.06 0.86 0.00 -2.22 2.07 -1.09 -3.03 116.25 113.91 1n1e h VAL 33 Ca 0.22 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1n1e h VAL 33 Cb 0.34 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1n1e h VAL 33 CO -0.00 0.04 -0.16 -0.07 0.02 0.00 0.00 177.57 177.40 1n1e h LEU 34 N -0.31 0.00 -2.40 2.57 3.38 -0.87 -1.87 115.31 115.80 1n1e h LEU 34 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1n1e h LEU 34 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1n1e h LEU 34 CO 0.04 0.16 -0.03 0.77 0.09 0.00 0.00 178.44 179.47 1n1e h SER 35 N 0.00 0.00 1.75 -0.43 4.64 -0.49 0.42 113.55 119.44 1n1e h SER 35 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n1e h SER 35 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1n1e h SER 35 CO 0.02 0.03 0.00 0.11 -0.87 0.00 0.00 176.83 176.12 1n1e h LYS 36 N 0.00 0.00 0.00 4.77 1.57 -1.40 -3.36 116.57 118.16 1n1e h LYS 36 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n1e h LYS 36 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1n1e h LYS 36 CO 0.00 0.00 -0.47 1.63 -0.57 0.00 0.00 179.45 180.04 1n1e n LYS 37 N -2.79 4.05 -4.37 3.15 4.76 -0.24 -5.01 118.16 117.72 1n1e n LYS 37 Ca 0.04 -0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 1n1e n LYS 37 Cb 0.48 -0.88 -0.13 0.00 -1.84 0.00 0.00 35.03 32.66 1n1e n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n1e h ARG 39 N 4.89 0.78 -4.01 0.00 2.43 -1.28 -3.44 114.38 113.75 1n1e h ARG 39 Ca -0.39 -0.18 -0.30 0.00 -0.81 0.00 0.00 59.98 58.30 1n1e h ARG 39 Cb 1.18 -0.11 -0.29 0.00 -0.42 0.00 0.00 29.97 30.33 1n1e h ARG 39 CO 0.44 0.75 -0.74 -2.00 -1.51 0.00 0.00 179.97 176.90 1n1e s GLU 40 N -5.09 0.28 -0.06 0.20 2.12 -0.58 -4.81 118.70 110.75 1n1e s GLU 40 Ca -0.09 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.17 1n1e s GLU 40 Cb 0.15 -0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.26 1n1e s GLU 40 CO 0.80 0.03 -0.08 0.08 -0.54 0.00 0.00 175.26 175.55 1n1e s VAL 41 N 0.14 0.83 -0.10 3.70 1.01 -0.19 -1.92 120.40 123.87 1n1e s VAL 41 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1n1e s VAL 41 Cb -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1n1e s VAL 41 CO -0.00 0.30 -0.08 0.00 0.00 0.00 0.00 175.10 175.31 1n1e s VAL 43 N -0.32 2.97 -0.04 0.00 1.01 -0.26 -0.67 120.40 123.10 1n1e s VAL 43 Ca 0.04 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1n1e s VAL 43 Cb -0.13 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1n1e s VAL 43 CO 0.02 0.48 0.62 0.86 0.00 0.00 0.00 175.10 177.08 1n1e s TRP 44 N 1.11 3.63 -0.00 5.22 -0.00 0.06 -1.21 118.94 127.75 1n1e s TRP 44 Ca 0.01 1.19 0.03 0.00 -0.00 0.00 0.00 56.10 57.32 1n1e s TRP 44 Cb -0.14 -2.67 -0.01 0.00 -0.00 0.00 0.00 33.47 30.65 1n1e s TRP 44 CO -0.03 0.24 -0.08 -1.58 -0.00 0.00 0.00 176.95 175.50 1n1e s HIS 45 N 0.23 0.74 -0.18 5.86 5.65 -0.11 -3.38 115.29 124.11 1n1e s HIS 45 Ca 0.33 -0.16 0.29 0.00 0.25 0.00 0.00 55.06 55.76 1n1e s HIS 45 Cb -0.18 -0.47 1.19 0.00 -1.18 0.00 0.00 32.58 31.94 1n1e s HIS 45 CO 0.17 -0.01 1.86 0.00 -0.65 0.00 0.00 174.74 176.10 1n1e h MET 46 N 5.83 0.00 -5.06 2.88 -0.00 -1.90 -3.31 114.93 113.37 1n1e h MET 46 Ca -0.31 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 58.73 1n1e h MET 46 Cb 1.18 0.00 -0.33 0.00 -0.00 0.00 0.00 31.60 32.45 1n1e h MET 46 CO 0.49 0.00 -0.83 1.21 -0.00 0.00 0.00 176.91 177.78 1n1e s ASN 47 N -4.99 3.40 0.13 -0.10 3.84 -1.26 -4.98 114.94 110.98 1n1e s ASN 47 Ca 0.03 -0.59 -0.10 0.00 0.21 0.00 0.00 52.86 52.41 1n1e s ASN 47 Cb 0.09 -1.54 -0.06 0.00 -0.55 0.00 0.00 41.25 39.19 1n1e s ASN 47 CO 0.47 0.00 1.40 -0.08 -2.79 0.00 0.00 177.10 176.11 1n1e h GLU 48 N 7.93 0.80 -0.64 0.43 4.57 -1.95 -1.33 114.58 124.40 1n1e h GLU 48 Ca -0.44 -0.54 0.05 0.00 -1.18 0.00 0.00 59.36 57.25 1n1e h GLU 48 Cb 1.15 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.76 1n1e h GLU 48 CO 0.63 1.16 0.37 1.49 -1.18 0.00 0.00 179.01 181.48 1n1e h GLU 49 N 0.60 0.68 -0.18 1.92 4.81 -1.99 -1.15 114.58 119.27 1n1e h GLU 49 Ca -0.00 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1n1e h GLU 49 Cb 1.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1n1e h GLU 49 CO 0.13 0.45 -0.51 0.93 -0.73 0.00 0.00 179.01 179.28 1n1e h GLU 50 N 0.70 0.49 -0.52 1.92 5.08 -1.95 -2.35 114.58 117.94 1n1e h GLU 50 Ca 0.28 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1n1e h GLU 50 Cb 0.13 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1n1e h GLU 50 CO -0.15 0.88 0.28 0.28 -1.00 0.00 0.00 179.01 179.30 1n1e h VAL 51 N 0.38 0.98 -0.71 3.13 2.07 -0.79 -1.14 116.25 120.18 1n1e h VAL 51 Ca 0.02 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1n1e h VAL 51 Cb 1.02 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1n1e h VAL 51 CO 0.09 0.10 0.24 0.03 0.02 0.00 0.00 177.57 178.05 1n1e h ARG 52 N 0.54 1.09 0.03 1.57 3.08 -1.02 -1.23 114.38 118.44 1n1e h ARG 52 Ca 0.22 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n1e h ARG 52 Cb 0.11 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1n1e h ARG 52 CO -0.14 0.93 -0.01 1.25 -1.07 0.00 0.00 179.97 180.93 1n1e h LEU 53 N 1.03 -0.03 -0.58 3.04 5.85 -1.09 -0.86 115.31 122.68 1n1e h LEU 53 Ca 0.23 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1n1e h LEU 53 Cb 0.28 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1n1e h LEU 53 CO -0.01 -0.02 0.30 0.58 -0.34 0.00 0.00 178.44 178.96 1n1e h VAL 54 N -0.04 1.20 -0.61 1.05 2.07 -1.05 -0.72 116.25 118.14 1n1e h VAL 54 Ca -0.00 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1n1e h VAL 54 Cb 0.03 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1n1e h VAL 54 CO 0.01 0.22 0.11 0.78 0.02 0.00 0.00 177.57 178.71 1n1e h ASN 55 N 0.78 0.96 -0.39 0.57 2.35 -1.13 -1.50 115.58 117.23 1n1e h ASN 55 Ca 0.20 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1n1e h ASN 55 Cb 0.08 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1n1e h ASN 55 CO -0.03 0.97 0.06 -0.08 -1.65 0.00 0.00 177.43 176.70 1n1e h GLU 56 N 0.91 0.65 0.00 0.81 4.81 -0.85 -3.04 114.58 117.88 1n1e h GLU 56 Ca 0.19 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1n1e h GLU 56 Cb 0.41 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1n1e h GLU 56 CO 0.01 0.70 0.00 1.63 -0.73 0.00 0.00 179.01 180.62 1n1e n LYS 57 N -4.53 0.18 -4.04 1.92 4.76 -0.30 -4.90 118.16 111.24 1n1e n LYS 57 Ca -0.01 0.19 -0.31 0.00 -2.87 0.00 0.00 58.31 55.31 1n1e n LYS 57 Cb 0.23 -1.73 -0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1n1e n LYS 57 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1n1e n ARG 58 N -2.04 -4.11 -3.64 1.97 5.12 -0.58 -4.94 116.66 108.45 1n1e n ARG 58 Ca 0.05 0.47 -0.09 0.00 -1.93 0.00 0.00 57.85 56.35 1n1e n ARG 58 Cb 0.37 -5.13 -0.07 0.00 -1.16 0.00 0.00 32.46 26.47 1n1e n ARG 58 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1n1e s GLU 59 N -6.70 0.71 -1.23 5.56 2.12 -1.13 -1.20 118.70 116.82 1n1e s GLU 59 Ca 0.53 1.06 -0.20 0.00 0.36 0.00 0.00 54.97 56.73 1n1e s GLU 59 Cb -0.28 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.36 1n1e s GLU 59 CO 0.88 -0.12 1.78 1.21 -0.54 0.00 0.00 175.26 178.47 1n1e s ASN 60 N 1.10 6.25 0.15 -1.70 3.04 -1.26 -4.47 114.94 118.05 1n1e s ASN 60 Ca -0.06 -2.10 0.20 0.00 0.04 0.00 0.00 52.86 50.95 1n1e s ASN 60 Cb -0.05 -2.58 0.85 0.00 -1.54 0.00 0.00 41.25 37.93 1n1e s ASN 60 CO -0.12 -1.79 1.63 1.33 -3.04 0.00 0.00 177.10 175.12 1n1e n VAL 61 N 6.88 0.85 -0.04 -5.21 0.24 -1.26 -1.02 118.33 118.77 1n1e n VAL 61 Ca 0.46 0.21 -0.15 0.00 -2.04 0.00 0.00 64.34 62.82 1n1e n VAL 61 Cb 0.47 -1.05 -0.13 0.00 -1.47 0.00 0.00 33.84 31.66 1n1e n VAL 61 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1n1e h LEU 62 N 0.00 0.10 0.00 1.34 3.38 -1.97 -3.43 115.31 114.73 1n1e h LEU 62 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1n1e h LEU 62 Cb 0.34 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1n1e h LEU 62 CO 0.00 0.99 -0.01 0.49 0.09 0.00 0.00 178.44 180.00 1n1e n PHE 63 N -4.56 0.00 -3.12 1.13 3.01 -1.18 -4.87 117.46 107.86 1n1e n PHE 63 Ca -0.10 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.17 1n1e n PHE 63 Cb 0.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.94 1n1e n PHE 63 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1n1e n LEU 64 N -0.57 0.08 -4.77 4.37 7.94 -0.19 -3.78 117.00 120.08 1n1e n LEU 64 Ca 0.00 -4.67 -0.41 0.00 -1.11 0.00 0.00 56.01 49.82 1n1e n LEU 64 Cb 0.00 0.72 -0.01 0.00 0.53 0.00 0.00 43.42 44.66 1n1e n LEU 64 CO 0.00 2.18 1.10 -0.54 -1.11 0.00 0.00 177.39 179.01 1n1e s LYS 65 N -1.56 4.21 0.00 1.96 1.02 -1.14 -3.38 119.74 120.85 1n1e s LYS 65 Ca 0.36 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.78 1n1e s LYS 65 Cb 0.28 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1n1e s LYS 65 CO -0.10 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1n1e n GLY 66 N 0.97 0.29 3.27 -3.33 0.00 -1.26 -5.04 105.19 100.10 1n1e n GLY 66 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1n1e n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1e s VAL 67 N -2.07 3.29 -0.02 1.61 1.01 -1.22 -5.08 120.40 117.91 1n1e s VAL 67 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1n1e s VAL 67 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1n1e s VAL 67 CO 0.00 0.27 1.18 -1.58 0.00 0.00 0.00 175.10 174.97 1n1e s GLN 68 N 1.42 4.39 0.32 2.72 0.74 -1.26 -4.29 119.66 123.69 1n1e s GLN 68 Ca 0.03 1.67 -0.29 0.00 0.05 0.00 0.00 55.36 56.83 1n1e s GLN 68 Cb -0.16 -3.50 -0.10 0.00 1.10 0.00 0.00 33.01 30.35 1n1e s GLN 68 CO -0.03 -0.37 1.20 -0.51 -0.55 0.00 0.00 175.29 175.03 1n1e s LEU 69 N 1.85 4.46 0.66 3.68 1.43 -0.35 -5.00 118.68 125.42 1n1e s LEU 69 Ca 0.56 2.47 -0.17 0.00 -1.03 0.00 0.00 54.13 55.95 1n1e s LEU 69 Cb -0.25 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 1n1e s LEU 69 CO 0.24 -0.37 1.08 0.00 0.23 0.00 0.00 176.35 177.53 1n1e n ALA 70 N 0.90 0.40 0.24 4.21 0.00 -1.26 -4.90 120.51 120.09 1n1e n ALA 70 Ca -0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1n1e n ALA 70 Cb 0.44 -2.19 0.58 0.00 0.00 0.00 0.00 19.45 18.28 1n1e n ALA 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n1e h SER 71 N 0.25 0.00 -0.35 0.00 4.64 -1.99 -2.47 113.55 113.63 1n1e h SER 71 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1n1e h SER 71 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1n1e h SER 71 CO 0.50 0.16 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 1n1e n ASN 72 N -3.39 2.11 -4.57 4.97 6.94 -1.26 -4.76 115.26 115.30 1n1e n ASN 72 Ca -0.00 -2.06 -0.36 0.00 -0.02 0.00 0.00 54.58 52.14 1n1e n ASN 72 Cb 0.35 -0.29 -0.11 0.00 -2.36 0.00 0.00 39.78 37.38 1n1e n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1n1e s ILE 73 N -1.56 4.93 -0.06 1.53 1.01 -0.93 -1.02 121.20 125.10 1n1e s ILE 73 Ca 0.25 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.97 1n1e s ILE 73 Cb 0.14 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 1n1e s ILE 73 CO 0.15 0.34 -0.18 -0.89 0.00 0.00 0.00 174.94 174.36 1n1e s THR 74 N 1.28 1.55 0.25 2.92 2.01 -0.45 -4.89 115.64 118.30 1n1e s THR 74 Ca 0.06 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 1n1e s THR 74 Cb -0.14 -1.34 -0.08 0.00 0.01 0.00 0.00 72.50 70.95 1n1e s THR 74 CO 0.05 0.44 0.63 -0.36 -0.69 0.00 0.00 174.62 174.70 1n1e s PHE 75 N 0.19 3.45 0.04 4.92 0.40 -1.26 -1.10 117.98 124.62 1n1e s PHE 75 Ca -0.08 1.07 -0.14 0.00 -0.60 0.00 0.00 56.93 57.18 1n1e s PHE 75 Cb -0.14 -2.41 0.02 0.00 0.51 0.00 0.00 43.02 41.00 1n1e s PHE 75 CO 0.04 0.23 0.30 -0.08 0.70 0.00 0.00 175.22 176.42 1n1e s THR 76 N -1.80 0.08 -1.92 0.64 -1.32 -0.35 -4.90 115.64 106.07 1n1e s THR 76 Ca 0.48 -0.67 0.16 0.00 -1.21 0.00 0.00 61.69 60.45 1n1e s THR 76 Cb -0.12 -0.93 0.20 0.00 -1.51 0.00 0.00 72.50 70.14 1n1e s THR 76 CO 0.19 -0.37 1.10 -1.54 -2.21 0.00 0.00 174.62 171.80 1n1e n SER 77 N 0.59 2.61 -4.49 8.08 3.41 -1.25 -0.93 113.62 121.63 1n1e n SER 77 Ca -0.19 -1.76 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 1n1e n SER 77 Cb 0.59 -0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1n1e n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n1e s ASP 78 N -1.30 6.16 0.18 4.04 -1.08 -1.26 -4.89 116.67 118.52 1n1e s ASP 78 Ca 0.23 -0.65 -0.13 0.00 -0.52 0.00 0.00 52.55 51.48 1n1e s ASP 78 Cb 0.15 -2.20 0.12 0.00 -1.46 0.00 0.00 42.92 39.53 1n1e s ASP 78 CO 0.21 -0.49 1.80 0.58 0.52 0.00 0.00 175.17 177.80 1n1e h VAL 79 N 5.66 1.01 -0.37 1.11 2.07 -1.92 -1.54 116.25 122.27 1n1e h VAL 79 Ca -0.27 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.92 1n1e h VAL 79 Cb 1.12 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1n1e h VAL 79 CO 0.75 0.10 -0.31 -0.33 0.02 0.00 0.00 177.57 177.81 1n1e h GLU 80 N 0.57 0.81 -0.41 1.57 3.07 -1.93 -2.28 114.58 115.98 1n1e h GLU 80 Ca 0.22 -0.37 -0.12 0.00 -0.50 0.00 0.00 59.36 58.58 1n1e h GLU 80 Cb 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1n1e h GLU 80 CO -0.12 1.00 -0.23 0.87 -1.40 0.00 0.00 179.01 179.14 1n1e h LYS 81 N 0.68 0.82 -0.10 2.33 1.57 -1.94 -2.65 116.57 117.28 1n1e h LYS 81 Ca 0.08 -0.34 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1n1e h LYS 81 Cb 0.85 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 1n1e h LYS 81 CO 0.07 0.97 -0.08 0.00 -0.57 0.00 0.00 179.45 179.84 1n1e h ALA 82 N 1.03 0.00 0.00 3.86 0.00 -0.74 -3.09 119.26 120.32 1n1e h ALA 82 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1n1e h ALA 82 Cb 0.75 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n1e h ALA 82 CO 0.06 -0.54 -0.56 2.48 0.00 0.00 0.00 179.25 180.69 1n1e n TYR 83 N -5.22 0.40 -1.67 0.00 0.18 -0.94 -4.68 117.16 105.23 1n1e n TYR 83 Ca -0.04 0.12 -0.48 0.00 1.88 0.00 0.00 57.90 59.38 1n1e n TYR 83 Cb 0.14 -0.55 -0.05 0.00 -0.38 0.00 0.00 39.34 38.50 1n1e n TYR 83 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1n1e n ASN 84 N -1.93 3.48 0.00 9.48 5.15 -1.00 -0.74 115.26 129.69 1n1e n ASN 84 Ca 0.04 0.91 0.00 0.00 -0.60 0.00 0.00 54.58 54.93 1n1e n ASN 84 Cb 0.41 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 1n1e n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n1e n GLY 85 N 4.57 0.97 3.76 8.20 0.00 -1.26 -5.01 105.19 116.42 1n1e n GLY 85 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1n1e n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1e s ALA 86 N -3.76 3.48 -1.38 4.61 0.00 0.08 -4.53 121.76 120.25 1n1e s ALA 86 Ca 0.00 1.15 0.15 0.00 0.00 0.00 0.00 51.96 53.26 1n1e s ALA 86 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1n1e s ALA 86 CO 0.00 -0.50 0.82 0.39 0.00 0.00 0.00 175.76 176.46 1n1e n GLU 87 N 1.16 1.74 -3.81 0.00 1.02 -0.34 -4.91 120.64 115.50 1n1e n GLU 87 Ca 0.01 -0.77 -0.12 0.00 -0.02 0.00 0.00 57.16 56.26 1n1e n GLU 87 Cb 0.43 -1.24 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 1n1e n GLU 87 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1n1e s ILE 88 N -1.82 0.04 -0.12 -3.67 2.07 -1.25 -4.34 121.20 112.11 1n1e s ILE 88 Ca 0.12 -0.30 0.03 0.00 -1.41 0.00 0.00 60.65 59.09 1n1e s ILE 88 Cb 0.12 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.31 1n1e s ILE 88 CO 0.38 -0.16 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.41 1n1e s ILE 89 N -0.60 1.91 -0.12 2.00 1.01 -0.56 -2.06 121.20 122.78 1n1e s ILE 89 Ca -0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1n1e s ILE 89 Cb -0.04 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1n1e s ILE 89 CO 0.01 0.52 -0.03 -0.76 0.00 0.00 0.00 174.94 174.69 1n1e s LEU 90 N 0.66 3.36 -0.22 2.97 1.02 -0.46 -0.42 118.68 125.59 1n1e s LEU 90 Ca -0.12 -0.01 -0.05 0.00 0.02 0.00 0.00 54.13 53.97 1n1e s LEU 90 Cb -0.16 -1.78 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 1n1e s LEU 90 CO 0.02 0.28 0.00 -0.36 0.02 0.00 0.00 176.35 176.31 1n1e s PHE 91 N -0.28 3.02 -0.01 0.29 0.40 -0.63 -0.88 117.98 119.89 1n1e s PHE 91 Ca 0.05 -0.61 0.22 0.00 -0.60 0.00 0.00 56.93 55.99 1n1e s PHE 91 Cb -0.12 -2.13 0.37 0.00 0.51 0.00 0.00 43.02 41.65 1n1e s PHE 91 CO 0.02 -0.37 1.15 0.28 0.70 0.00 0.00 175.22 177.00 1n1e n VAL 92 N 4.60 0.12 -2.79 -0.44 0.31 0.12 -1.22 118.33 119.03 1n1e n VAL 92 Ca -0.17 -0.98 -0.41 0.00 -0.01 0.00 0.00 64.34 62.77 1n1e n VAL 92 Cb 0.51 0.86 -0.05 0.00 -0.91 0.00 0.00 33.84 34.26 1n1e n VAL 92 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n1e s ILE 93 N -0.18 4.46 0.66 2.52 1.01 -1.17 -4.58 121.20 123.93 1n1e s ILE 93 Ca 0.30 1.97 -0.17 0.00 0.00 0.00 0.00 60.65 62.75 1n1e s ILE 93 Cb 0.34 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1n1e s ILE 93 CO -0.14 0.37 1.08 -2.65 0.00 0.00 0.00 174.94 173.60 1n1e n PRO 94 N 2.51 0.84 -0.20 2.79 -0.02 -1.26 -4.66 135.00 134.99 1n1e n PRO 94 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1n1e n PRO 94 Cb 0.49 -2.31 0.11 0.00 -0.02 0.00 0.00 33.50 31.77 1n1e n PRO 94 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1n1e h THR 95 N 0.25 0.75 0.00 3.45 2.02 -1.96 -0.67 112.91 116.75 1n1e h THR 95 Ca -0.49 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1n1e h THR 95 Cb 1.35 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1n1e h THR 95 CO 0.50 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.46 1n1e n GLN 96 N -5.01 0.18 0.00 6.66 1.13 -1.26 -2.76 117.38 116.31 1n1e n GLN 96 Ca 0.09 0.08 0.06 0.00 -1.94 0.00 0.00 57.00 55.29 1n1e n GLN 96 Cb 0.28 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.09 1n1e n GLN 96 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1n1e n PHE 97 N -1.38 0.00 0.02 1.08 0.99 -0.29 -4.68 117.46 113.20 1n1e n PHE 97 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.42 1n1e n PHE 97 Cb 0.22 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.64 1n1e n PHE 97 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1n1e h LEU 98 N 0.67 0.03 -0.32 4.37 3.38 -1.29 -2.70 115.31 119.45 1n1e h LEU 98 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1n1e h LEU 98 Cb 0.37 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1n1e h LEU 98 CO 0.00 0.02 0.05 -0.09 0.09 0.00 0.00 178.44 178.51 1n1e h ARG 99 N 0.04 0.15 -0.54 1.13 2.43 -1.83 -2.21 114.38 113.55 1n1e h ARG 99 Ca 0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1n1e h ARG 99 Cb 0.00 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1n1e h ARG 99 CO -0.01 0.10 0.26 0.78 -1.51 0.00 0.00 179.97 179.59 1n1e h GLY 100 N 0.16 0.80 0.97 2.80 0.00 -1.84 -1.06 103.07 104.90 1n1e h GLY 100 Ca 0.15 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1n1e h GLY 100 CO -0.21 0.35 0.15 -2.75 0.00 0.00 0.00 176.54 174.08 1n1e h PHE 101 N 0.75 0.33 -0.42 5.60 3.57 -1.08 -1.20 116.94 124.50 1n1e h PHE 101 Ca 0.19 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1n1e h PHE 101 Cb 0.07 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1n1e h PHE 101 CO 0.01 0.25 0.00 0.74 -2.23 0.00 0.00 178.31 177.08 1n1e h PHE 102 N 0.31 0.80 -0.68 0.41 -1.00 -0.97 -0.71 116.94 115.10 1n1e h PHE 102 Ca 0.09 -0.14 -0.07 0.00 2.81 0.00 0.00 57.97 60.67 1n1e h PHE 102 Cb 0.01 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.34 1n1e h PHE 102 CO -0.05 0.80 0.17 0.93 -1.61 0.00 0.00 178.31 178.55 1n1e h GLU 103 N 0.57 1.08 0.03 1.51 5.08 -1.17 -2.75 114.58 118.93 1n1e h GLU 103 Ca 0.12 -0.25 -0.34 0.00 -1.00 0.00 0.00 59.36 57.89 1n1e h GLU 103 Cb 0.48 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1n1e h GLU 103 CO 0.02 0.96 -1.99 1.17 -1.00 0.00 0.00 179.01 178.16 1n1e n LYS 104 N -4.24 0.68 0.00 2.33 4.81 -0.46 -4.72 118.16 116.56 1n1e n LYS 104 Ca 0.05 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1n1e n LYS 104 Cb 0.25 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.61 1n1e n LYS 104 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1n1e n SER 105 N -3.13 0.31 -0.54 3.14 7.64 -0.30 -4.89 113.62 115.85 1n1e n SER 105 Ca -0.27 -1.04 0.11 0.00 1.01 0.00 0.00 58.87 58.68 1n1e n SER 105 Cb 1.06 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.29 1n1e n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n1e n GLY 106 N -0.02 0.11 0.17 0.23 0.00 -1.02 -4.66 105.19 100.00 1n1e n GLY 106 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 1n1e n GLY 106 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n1e h GLY 107 N 4.84 0.17 1.54 -0.02 0.00 -1.90 0.21 103.07 107.90 1n1e h GLY 107 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 47.33 47.25 1n1e h GLY 107 CO 0.00 -0.14 -0.96 3.43 0.00 0.00 0.00 176.54 178.87 1n1e h ASN 108 N -0.05 0.54 -0.57 0.19 2.35 -1.98 -2.77 115.58 113.29 1n1e h ASN 108 Ca 0.16 -0.44 0.05 0.00 -0.55 0.00 0.00 56.30 55.52 1n1e h ASN 108 Cb 0.29 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 1n1e h ASN 108 CO -0.35 1.24 0.29 0.25 -1.65 0.00 0.00 177.43 177.21 1n1e h LEU 109 N 0.23 0.42 -0.25 1.61 5.85 -1.77 -0.82 115.31 120.57 1n1e h LEU 109 Ca -0.08 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1n1e h LEU 109 Cb 1.60 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1n1e h LEU 109 CO 0.17 0.28 0.16 0.40 -0.34 0.00 0.00 178.44 179.10 1n1e h ILE 110 N 0.56 1.09 -0.88 4.05 2.04 -0.92 -0.80 117.51 122.65 1n1e h ILE 110 Ca 0.26 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1n1e h ILE 110 Cb 0.18 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1n1e h ILE 110 CO -0.18 0.09 0.44 0.00 0.00 0.00 0.00 178.15 178.50 1n1e h ALA 111 N 1.06 1.13 0.07 1.87 0.00 -1.19 -2.29 119.26 119.90 1n1e h ALA 111 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n1e h ALA 111 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1n1e h ALA 111 CO -0.02 0.67 -0.03 -0.92 0.00 0.00 0.00 179.25 178.95 1n1e h TYR 112 N 1.24 -0.08 -0.81 0.00 3.20 -0.81 -0.54 116.97 119.17 1n1e h TYR 112 Ca 0.30 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.20 1n1e h TYR 112 Cb 0.08 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1n1e h TYR 112 CO 0.01 0.12 0.52 0.00 -1.64 0.00 0.00 178.16 177.18 1n1e h ALA 113 N 0.64 1.06 -0.14 1.82 0.00 -1.07 -0.30 119.26 121.27 1n1e h ALA 113 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1n1e h ALA 113 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1n1e h ALA 113 CO 0.02 0.36 0.00 0.87 0.00 0.00 0.00 179.25 180.50 1n1e h LYS 114 N 1.03 0.25 -0.49 0.00 1.57 -1.33 0.23 116.57 117.83 1n1e h LYS 114 Ca 0.32 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1n1e h LYS 114 Cb -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1n1e h LYS 114 CO -0.10 0.47 -0.09 1.49 -0.57 0.00 0.00 179.45 180.65 1n1e h GLU 115 N -0.01 0.92 -0.06 3.15 4.81 -0.72 -2.99 114.58 119.67 1n1e h GLU 115 Ca 0.04 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1n1e h GLU 115 Cb 0.36 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1n1e h GLU 115 CO 0.01 0.99 0.00 1.63 -0.73 0.00 0.00 179.01 180.91 1n1e n LYS 116 N -4.24 2.02 -3.75 1.92 4.76 -0.16 -4.97 118.16 113.74 1n1e n LYS 116 Ca 0.00 -1.49 -0.23 0.00 -2.87 0.00 0.00 58.31 53.72 1n1e n LYS 116 Cb 0.38 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 32.12 1n1e n LYS 116 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1n1e n GLN 117 N 0.79 -3.96 -2.92 1.97 1.13 -0.02 -4.92 117.38 109.45 1n1e n GLN 117 Ca 0.17 0.55 -0.41 0.00 -1.94 0.00 0.00 57.00 55.37 1n1e n GLN 117 Cb 0.48 -4.90 -0.04 0.00 0.11 0.00 0.00 30.24 25.88 1n1e n GLN 117 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1n1e s VAL 118 N -3.72 4.92 0.35 5.09 1.01 -0.67 -5.01 120.40 122.37 1n1e s VAL 118 Ca 0.07 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 1n1e s VAL 118 Cb -0.02 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1n1e s VAL 118 CO 0.84 0.08 1.48 -2.16 0.00 0.00 0.00 175.10 175.33 1n1e s PRO 119 N 1.84 4.16 -0.11 2.72 0.04 -1.26 -4.83 135.00 137.55 1n1e s PRO 119 Ca 0.38 2.50 0.03 0.00 0.04 0.00 0.00 61.00 63.96 1n1e s PRO 119 Cb -0.17 -3.00 -0.00 0.00 0.04 0.00 0.00 34.50 31.37 1n1e s PRO 119 CO 0.14 -0.49 -0.22 0.08 0.04 0.00 0.00 177.00 176.55 1n1e s VAL 120 N -0.86 2.20 -0.25 -0.36 1.01 0.23 -1.50 120.40 120.86 1n1e s VAL 120 Ca 0.54 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1n1e s VAL 120 Cb -0.45 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1n1e s VAL 120 CO 0.58 0.55 -0.06 -0.22 0.00 0.00 0.00 175.10 175.95 1n1e s LEU 121 N 0.39 3.23 -0.28 3.92 2.96 0.44 -1.15 118.68 128.20 1n1e s LEU 121 Ca -0.17 -0.92 -0.20 0.00 -0.22 0.00 0.00 54.13 52.61 1n1e s LEU 121 Cb -0.17 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1n1e s LEU 121 CO 0.07 -0.14 0.64 -0.69 -1.32 0.00 0.00 176.35 174.92 1n1e s VAL 122 N 1.31 4.95 -0.27 1.68 1.01 0.99 -1.61 120.40 128.46 1n1e s VAL 122 Ca -0.01 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.04 1n1e s VAL 122 Cb -0.17 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1n1e s VAL 122 CO -0.04 -0.07 0.24 0.00 0.00 0.00 0.00 175.10 175.23 1n1e s THR 124 N -1.57 2.85 -0.04 0.00 2.01 -1.18 -4.94 115.64 112.78 1n1e s THR 124 Ca 0.02 0.74 0.05 0.00 0.31 0.00 0.00 61.69 62.81 1n1e s THR 124 Cb 0.04 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1n1e s THR 124 CO 0.24 0.09 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.52 1n1e s LYS 125 N -2.27 1.85 0.00 4.92 1.02 -1.26 -4.75 119.74 119.25 1n1e s LYS 125 Ca 0.57 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.87 1n1e s LYS 125 Cb -0.35 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1n1e s LYS 125 CO 0.44 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.61 1n1e n GLY 126 N 2.93 0.21 2.90 -3.33 0.00 -1.26 -4.55 105.19 102.09 1n1e n GLY 126 Ca -0.17 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 1n1e n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n1e s ILE 127 N -2.22 0.46 0.24 -0.61 1.01 -1.26 -4.05 121.20 114.77 1n1e s ILE 127 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 1n1e s ILE 127 Cb 0.00 -0.47 -0.09 0.00 0.01 0.00 0.00 42.46 41.91 1n1e s ILE 127 CO 0.00 0.19 1.09 -0.70 0.00 0.00 0.00 174.94 175.51 1n1e s GLU 128 N 0.66 4.65 0.06 2.79 2.12 -0.01 -4.46 118.70 124.50 1n1e s GLU 128 Ca -0.08 1.75 -0.21 0.00 0.36 0.00 0.00 54.97 56.79 1n1e s GLU 128 Cb -0.11 -3.23 -0.09 0.00 0.26 0.00 0.00 34.13 30.96 1n1e s GLU 128 CO -0.00 0.20 1.33 0.00 -0.54 0.00 0.00 175.26 176.24 1n1e h ARG 129 N 4.27 -0.48 -0.08 4.30 3.08 -1.91 -1.50 114.38 122.06 1n1e h ARG 129 Ca -0.46 0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.43 1n1e h ARG 129 Cb 1.21 0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.38 1n1e h ARG 129 CO 0.69 -0.32 -0.71 0.66 -1.07 0.00 0.00 179.97 179.21 1n1e h SER 130 N -0.50 0.78 1.29 7.04 4.64 -2.00 -3.32 113.55 121.47 1n1e h SER 130 Ca -0.02 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 1n1e h SER 130 Cb 0.47 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1n1e h SER 130 CO -0.12 1.33 -0.46 0.71 -0.87 0.00 0.00 176.83 177.43 1n1e h THR 131 N 0.28 0.00 -2.49 2.95 1.35 -1.99 -3.47 112.91 109.54 1n1e h THR 131 Ca -0.07 -0.75 -0.42 0.00 -0.55 0.00 0.00 66.41 64.63 1n1e h THR 131 Cb 1.37 1.49 -0.06 0.00 -1.73 0.00 0.00 68.15 69.21 1n1e h THR 131 CO 0.15 0.00 -0.50 0.18 -0.25 0.00 0.00 175.52 175.10 1n1e n LEU 132 N -2.53 -1.84 -4.85 3.87 4.77 -0.56 -4.99 117.00 110.86 1n1e n LEU 132 Ca 0.03 0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.78 1n1e n LEU 132 Cb 0.49 -2.93 -0.06 0.00 -2.33 0.00 0.00 43.42 38.59 1n1e n LEU 132 CO 0.36 -0.45 0.12 -0.54 -1.33 0.00 0.00 177.39 175.55 1n1e s LYS 133 N -4.72 3.84 0.63 3.23 1.02 -1.25 -4.75 119.74 117.75 1n1e s LYS 133 Ca 0.00 0.30 -0.12 0.00 0.02 0.00 0.00 55.97 56.17 1n1e s LYS 133 Cb 0.00 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1n1e s LYS 133 CO 0.00 0.58 1.04 -0.06 -0.92 0.00 0.00 175.35 175.98 1n1e s PHE 134 N -1.33 3.41 0.29 3.18 0.40 -1.26 -0.83 117.98 121.84 1n1e s PHE 134 Ca 0.32 1.36 0.02 0.00 -0.60 0.00 0.00 56.93 58.03 1n1e s PHE 134 Cb -0.15 -2.79 0.58 0.00 0.51 0.00 0.00 43.02 41.17 1n1e s PHE 134 CO 0.17 -0.85 1.85 -1.35 0.70 0.00 0.00 175.22 175.74 1n1e h PRO 135 N -0.26 0.94 0.00 0.24 0.11 -1.86 -0.12 132.00 131.05 1n1e h PRO 135 Ca -0.44 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1n1e h PRO 135 Cb 1.20 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1n1e h PRO 135 CO 0.60 0.62 -0.20 0.00 -0.21 0.00 0.00 178.00 178.81 1n1e h ALA 136 N 1.54 1.11 0.05 -0.75 0.00 -1.93 -1.96 119.26 117.32 1n1e h ALA 136 Ca 0.48 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 1n1e h ALA 136 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1n1e h ALA 136 CO -0.24 0.25 -1.03 0.93 0.00 0.00 0.00 179.25 179.16 1n1e h GLU 137 N 0.00 0.24 0.22 0.00 5.08 -1.42 0.53 114.58 119.24 1n1e h GLU 137 Ca -0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1n1e h GLU 137 Cb 0.62 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1n1e h GLU 137 CO 0.03 1.08 -0.10 0.82 -1.00 0.00 0.00 179.01 179.83 1n1e h ILE 138 N 0.11 0.83 -0.42 3.13 2.04 -1.01 -2.87 117.51 119.32 1n1e h ILE 138 Ca -0.08 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1n1e h ILE 138 Cb 1.71 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 1n1e h ILE 138 CO 0.16 0.05 0.07 0.40 0.00 0.00 0.00 178.15 178.83 1n1e h ILE 139 N -0.40 1.20 0.00 -0.67 2.04 -1.39 -2.22 117.51 116.07 1n1e h ILE 139 Ca -0.03 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1n1e h ILE 139 Cb 0.31 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1n1e h ILE 139 CO 0.05 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.08 1n1e n GLY 140 N -0.92 -0.99 0.19 5.37 0.00 0.18 -0.91 105.19 108.11 1n1e n GLY 140 Ca 0.02 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1n1e n GLY 140 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n1e h GLU 141 N 0.00 0.00 0.00 1.61 5.08 -1.18 -3.36 114.58 116.73 1n1e h GLU 141 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1n1e h GLU 141 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1n1e h GLU 141 CO 0.00 0.39 -1.69 1.19 -1.00 0.00 0.00 179.01 177.91 1n1e n PHE 142 N -3.82 0.00 -4.64 4.33 3.01 -0.08 -5.00 117.46 111.25 1n1e n PHE 142 Ca -0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 1n1e n PHE 142 Cb 0.46 -0.42 -0.15 0.00 -0.01 0.00 0.00 39.48 39.36 1n1e n PHE 142 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1n1e s LEU 143 N -4.34 2.09 0.57 4.37 1.43 -0.31 -4.99 118.68 117.51 1n1e s LEU 143 Ca -0.05 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.50 1n1e s LEU 143 Cb 0.06 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1n1e s LEU 143 CO 0.51 0.15 1.10 -2.16 0.23 0.00 0.00 176.35 176.18 1n1e s PRO 144 N -0.71 3.26 0.37 1.29 0.04 -1.26 -4.22 135.00 133.77 1n1e s PRO 144 Ca 0.05 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.61 1n1e s PRO 144 Cb -0.07 -2.01 0.72 0.00 0.04 0.00 0.00 34.50 33.18 1n1e s PRO 144 CO 0.00 -0.90 2.00 0.66 0.04 0.00 0.00 177.00 178.81 1n1e h SER 145 N 0.84 0.57 0.43 6.66 4.64 -1.95 -2.47 113.55 122.27 1n1e h SER 145 Ca -0.49 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1n1e h SER 145 Cb 1.25 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1n1e h SER 145 CO 0.56 0.46 0.00 -0.65 -0.87 0.00 0.00 176.83 176.33 1n1e h PRO 146 N 0.66 0.00 -0.00 4.77 0.11 -2.03 -1.94 132.00 133.57 1n1e h PRO 146 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1n1e h PRO 146 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1n1e h PRO 146 CO -0.03 0.00 -0.47 1.28 -0.21 0.00 0.00 178.00 178.57 1n1e n LEU 147 N -2.47 0.58 -4.72 2.35 4.77 -0.93 -4.94 117.00 111.63 1n1e n LEU 147 Ca 0.00 -0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 55.59 1n1e n LEU 147 Cb 0.15 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1n1e n LEU 147 CO 0.17 0.14 -0.19 -0.76 -1.33 0.00 0.00 177.39 175.42 1n1e s LEU 148 N -2.93 4.15 0.19 2.23 1.43 -0.73 -0.60 118.68 122.42 1n1e s LEU 148 Ca 0.13 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1n1e s LEU 148 Cb 0.18 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1n1e s LEU 148 CO 0.68 0.19 -0.04 -0.44 0.23 0.00 0.00 176.35 176.97 1n1e s SER 149 N 0.30 1.69 -0.05 2.29 0.01 -0.30 -4.69 113.70 112.96 1n1e s SER 149 Ca 0.07 -1.14 0.05 0.00 1.31 0.00 0.00 55.95 56.24 1n1e s SER 149 Cb -0.11 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 1n1e s SER 149 CO -0.01 -0.46 -0.20 -0.69 0.41 0.00 0.00 173.24 172.28 1n1e s VAL 150 N -3.44 1.65 -0.14 3.43 1.01 0.25 -0.01 120.40 123.16 1n1e s VAL 150 Ca 0.24 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1n1e s VAL 150 Cb 0.05 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1n1e s VAL 150 CO 0.05 0.47 0.02 -0.22 0.00 0.00 0.00 175.10 175.41 1n1e s LEU 151 N -0.03 3.60 -0.26 3.92 0.20 0.02 -0.37 118.68 125.77 1n1e s LEU 151 Ca -0.04 0.06 -0.15 0.00 0.69 0.00 0.00 54.13 54.69 1n1e s LEU 151 Cb -0.12 -1.87 0.08 0.00 -0.43 0.00 0.00 46.19 43.84 1n1e s LEU 151 CO 0.03 0.25 0.64 0.00 -0.29 0.00 0.00 176.35 176.97 1n1e s ALA 152 N -0.09 -1.72 0.00 5.97 0.00 -0.11 -4.61 121.76 121.21 1n1e s ALA 152 Ca 0.05 2.25 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1n1e s ALA 152 Cb -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1n1e s ALA 152 CO 0.02 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1n1e n GLY 153 N 4.27 -1.80 3.55 0.00 0.00 -1.26 -0.37 105.19 109.59 1n1e n GLY 153 Ca -0.20 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1n1e n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n1e s PRO 154 N -1.91 2.98 -0.40 1.61 0.04 -1.25 -4.71 135.00 131.36 1n1e s PRO 154 Ca 0.00 0.05 0.10 0.00 0.04 0.00 0.00 61.00 61.18 1n1e s PRO 154 Cb 0.00 -4.32 0.33 0.00 0.04 0.00 0.00 34.50 30.55 1n1e s PRO 154 CO 0.00 -2.40 0.85 -1.13 0.04 0.00 0.00 177.00 174.36 1n1e n SER 155 N 10.74 -0.32 -4.61 6.66 3.41 -1.26 -4.51 113.62 123.73 1n1e n SER 155 Ca 0.11 -3.23 -0.48 0.00 -0.26 0.00 0.00 58.87 55.01 1n1e n SER 155 Cb 0.50 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.68 1n1e n SER 155 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1n1e n PHE 156 N 0.39 1.58 -0.18 7.33 0.99 -1.26 -4.81 117.46 121.50 1n1e n PHE 156 Ca 0.18 0.59 -0.03 0.00 -0.00 0.00 0.00 57.45 58.19 1n1e n PHE 156 Cb 0.67 -2.34 0.06 0.00 -1.00 0.00 0.00 39.48 36.87 1n1e n PHE 156 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1n1e h ALA 157 N 3.93 0.69 -0.74 4.37 0.00 -1.96 -2.31 119.26 123.25 1n1e h ALA 157 Ca -0.44 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1n1e h ALA 157 Cb 1.32 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1n1e h ALA 157 CO 0.74 -0.09 0.45 0.97 0.00 0.00 0.00 179.25 181.31 1n1e h ILE 158 N 0.50 1.21 -0.32 0.00 6.09 -1.90 0.13 117.51 123.22 1n1e h ILE 158 Ca 0.24 -0.46 -0.07 0.00 -1.37 0.00 0.00 64.86 63.21 1n1e h ILE 158 Cb 0.17 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 37.64 1n1e h ILE 158 CO -0.18 0.22 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.71 1n1e h GLU 159 N 1.01 0.62 -0.42 2.19 5.08 -1.85 -2.60 114.58 118.61 1n1e h GLU 159 Ca 0.26 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1n1e h GLU 159 Cb -0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1n1e h GLU 159 CO -0.05 0.79 0.26 0.28 -1.00 0.00 0.00 179.01 179.29 1n1e h VAL 160 N 0.40 1.07 -0.09 3.13 2.07 -1.14 0.25 116.25 121.94 1n1e h VAL 160 Ca 0.08 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1n1e h VAL 160 Cb 0.56 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1n1e h VAL 160 CO 0.03 0.10 -0.27 0.00 0.02 0.00 0.00 177.57 177.44 1n1e h ALA 161 N 1.17 1.38 -0.45 1.67 0.00 -0.70 -2.52 119.26 119.82 1n1e h ALA 161 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n1e h ALA 161 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n1e h ALA 161 CO -0.06 0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.88 1n1e n THR 162 N -4.16 0.58 -1.37 0.00 -2.24 -0.99 -4.85 114.28 101.25 1n1e n THR 162 Ca -0.01 -0.78 -0.02 0.00 -2.27 0.00 0.00 64.05 60.97 1n1e n THR 162 Cb 0.36 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 1n1e n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n1e n GLY 163 N 1.53 0.45 3.74 3.38 0.00 -0.76 -5.03 105.19 108.51 1n1e n GLY 163 Ca 0.20 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1n1e n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1e s VAL 164 N -2.08 4.02 -0.20 1.61 1.01 0.00 -4.77 120.40 119.99 1n1e s VAL 164 Ca 0.00 1.87 -0.40 0.00 0.00 0.00 0.00 61.98 63.45 1n1e s VAL 164 Cb 0.00 -4.19 -0.17 0.00 0.00 0.00 0.00 36.38 32.02 1n1e s VAL 164 CO 0.00 0.38 1.60 0.33 0.00 0.00 0.00 175.10 177.42 1n1e n PHE 165 N 1.92 1.83 -3.90 5.22 7.35 -1.25 -4.45 117.46 124.18 1n1e n PHE 165 Ca 0.00 0.65 -0.13 0.00 -0.76 0.00 0.00 57.45 57.21 1n1e n PHE 165 Cb 0.47 -2.39 -0.14 0.00 0.35 0.00 0.00 39.48 37.77 1n1e n PHE 165 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1n1e s THR 166 N 2.58 0.06 -0.07 -2.13 2.01 -0.05 -5.01 115.64 113.02 1n1e s THR 166 Ca 0.95 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.98 1n1e s THR 166 Cb -1.09 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 1n1e s THR 166 CO 0.62 0.04 -0.16 0.00 -0.69 0.00 0.00 174.62 174.43 1n1e s VAL 168 N -0.38 0.77 0.06 0.00 -7.23 -0.46 -4.00 120.40 109.17 1n1e s VAL 168 Ca 0.04 -1.94 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 1n1e s VAL 168 Cb -0.12 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1n1e s VAL 168 CO 0.02 -0.84 0.34 -0.44 -0.31 0.00 0.00 175.10 173.87 1n1e s SER 169 N -3.03 6.56 -0.16 4.85 0.01 0.50 -0.39 113.70 122.03 1n1e s SER 169 Ca 0.12 0.66 0.01 0.00 1.31 0.00 0.00 55.95 58.06 1n1e s SER 169 Cb 0.05 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 64.16 1n1e s SER 169 CO -0.04 0.18 -0.20 -0.63 0.41 0.00 0.00 173.24 172.96 1n1e s ILE 170 N -1.40 2.13 -0.12 1.44 1.01 -0.44 -0.93 121.20 122.88 1n1e s ILE 170 Ca 0.32 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 1n1e s ILE 170 Cb -0.13 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1n1e s ILE 170 CO 0.19 0.54 -0.06 0.00 0.00 0.00 0.00 174.94 175.61 1n1e s ALA 171 N 1.08 2.97 -0.01 9.38 0.00 0.50 -1.50 121.76 134.18 1n1e s ALA 171 Ca -0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1n1e s ALA 171 Cb -0.14 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.59 1n1e s ALA 171 CO -0.08 0.36 0.25 0.45 0.00 0.00 0.00 175.76 176.75 1n1e s SER 172 N -0.10 -0.13 0.29 0.00 0.15 -0.78 -0.58 113.70 112.55 1n1e s SER 172 Ca 0.01 0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.69 1n1e s SER 172 Cb -0.13 0.29 0.53 0.00 -1.71 0.00 0.00 66.02 65.00 1n1e s SER 172 CO 0.03 -0.40 1.86 0.00 1.20 0.00 0.00 173.24 175.92 1n1e h ALA 173 N 4.09 1.51 -2.49 5.45 0.00 -1.84 -3.35 119.26 122.64 1n1e h ALA 173 Ca -0.30 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 1n1e h ALA 173 Cb 1.18 -0.24 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 1n1e h ALA 173 CO 0.40 0.28 -0.15 0.34 0.00 0.00 0.00 179.25 180.12 1n1e s ASP 174 N -5.80 6.25 0.49 0.00 3.68 -1.26 -4.91 116.67 115.13 1n1e s ASP 174 Ca -0.12 -0.18 0.15 0.00 2.13 0.00 0.00 52.55 54.54 1n1e s ASP 174 Cb 0.21 -2.24 1.19 0.00 -1.45 0.00 0.00 42.92 40.64 1n1e s ASP 174 CO 0.81 -0.44 2.10 -0.29 0.13 0.00 0.00 175.17 177.47 1n1e h ILE 175 N 5.60 0.97 -0.31 4.11 6.09 -1.89 -1.42 117.51 130.66 1n1e h ILE 175 Ca -0.28 -0.05 -0.08 0.00 -1.37 0.00 0.00 64.86 63.08 1n1e h ILE 175 Cb 1.13 0.82 -0.02 0.00 0.47 0.00 0.00 36.82 39.23 1n1e h ILE 175 CO 0.75 0.03 -0.14 0.78 -3.07 0.00 0.00 178.15 176.49 1n1e h ASN 176 N 0.14 0.53 -0.17 2.19 2.35 -1.92 0.41 115.58 119.11 1n1e h ASN 176 Ca 0.09 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1n1e h ASN 176 Cb 0.17 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1n1e h ASN 176 CO -0.01 0.70 0.04 0.58 -1.65 0.00 0.00 177.43 177.08 1n1e h VAL 177 N 0.50 1.21 -0.94 2.81 2.07 -1.65 -2.09 116.25 118.16 1n1e h VAL 177 Ca 0.09 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1n1e h VAL 177 Cb 0.53 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1n1e h VAL 177 CO 0.03 0.21 0.61 0.00 0.02 0.00 0.00 177.57 178.44 1n1e h ALA 178 N 0.83 1.26 -0.13 1.67 0.00 -1.14 -1.01 119.26 120.74 1n1e h ALA 178 Ca 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1n1e h ALA 178 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n1e h ALA 178 CO 0.00 0.44 -0.44 0.00 0.00 0.00 0.00 179.25 179.25 1n1e h ARG 179 N 1.15 0.32 -0.13 0.00 3.08 -0.88 -0.67 114.38 117.25 1n1e h ARG 179 Ca 0.39 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1n1e h ARG 179 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1n1e h ARG 179 CO -0.14 0.70 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.35 1n1e h ARG 180 N 0.26 0.25 -0.36 0.04 2.43 -0.64 -2.70 114.38 113.67 1n1e h ARG 180 Ca 0.02 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1n1e h ARG 180 Cb 0.89 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1n1e h ARG 180 CO 0.07 0.53 0.17 -0.07 -1.51 0.00 0.00 179.97 179.16 1n1e h LEU 181 N -0.05 0.44 -1.06 3.80 3.38 -1.08 -1.85 115.31 118.89 1n1e h LEU 181 Ca 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1n1e h LEU 181 Cb 0.43 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1n1e h LEU 181 CO 0.01 0.38 0.49 -0.61 0.09 0.00 0.00 178.44 178.80 1n1e h GLN 182 N 0.50 1.14 0.00 1.13 4.15 -1.00 -0.61 115.11 120.41 1n1e h GLN 182 Ca 0.13 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 1n1e h GLN 182 Cb 0.06 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1n1e h GLN 182 CO -0.02 0.81 -0.59 0.00 -1.93 0.00 0.00 178.83 177.10 1n1e h ARG 183 N 1.16 0.00 0.09 1.69 3.08 -1.02 -1.79 114.38 117.58 1n1e h ARG 183 Ca 0.30 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.07 1n1e h ARG 183 Cb -0.03 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.05 1n1e h ARG 183 CO -0.05 0.59 -1.13 0.82 -1.07 0.00 0.00 179.97 179.13 1n1e h ILE 184 N 0.00 1.30 0.00 2.04 2.04 -0.99 -0.88 117.51 121.02 1n1e h ILE 184 Ca -0.01 -2.38 -0.21 0.00 1.00 0.00 0.00 64.86 63.26 1n1e h ILE 184 Cb 1.06 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 39.75 1n1e h ILE 184 CO 0.08 0.72 -1.34 0.24 0.00 0.00 0.00 178.15 177.85 1n1e h MET 185 N 0.24 0.00 -6.97 2.37 2.86 -1.12 -3.46 114.93 108.85 1n1e h MET 185 Ca -0.17 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.01 1n1e h MET 185 Cb 1.81 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.47 1n1e h MET 185 CO 0.22 0.50 0.38 -1.12 1.06 0.00 0.00 176.91 177.95 1n1e s SER 186 N -6.13 6.94 0.11 1.22 0.01 -0.68 -4.88 113.70 110.30 1n1e s SER 186 Ca -0.02 1.90 0.05 0.00 1.31 0.00 0.00 55.95 59.19 1n1e s SER 186 Cb 0.08 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1n1e s SER 186 CO 0.81 -0.36 0.03 0.42 0.41 0.00 0.00 173.24 174.55 1n1e s THR 187 N -1.77 4.10 -0.18 1.44 -4.23 -0.65 -4.90 115.64 109.44 1n1e s THR 187 Ca 0.57 -1.04 0.22 0.00 -1.18 0.00 0.00 61.69 60.25 1n1e s THR 187 Cb -0.18 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 70.90 1n1e s THR 187 CO 0.23 0.05 1.63 1.23 -0.54 0.00 0.00 174.62 177.22 1n1e h GLY 188 N 3.16 0.00 0.21 3.99 0.00 -1.95 -1.93 103.07 106.55 1n1e h GLY 188 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1n1e h GLY 188 CO 0.61 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.24 1n1e n ASP 189 N -3.19 0.00 -2.31 0.19 3.85 -1.26 -4.91 116.55 108.92 1n1e n ASP 189 Ca 0.02 -1.57 -0.16 0.00 -0.71 0.00 0.00 54.79 52.37 1n1e n ASP 189 Cb 0.56 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.31 1n1e n ASP 189 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n1e n ARG 190 N -0.61 -1.90 0.05 0.11 5.12 -0.72 -4.86 116.66 113.85 1n1e n ARG 190 Ca 0.04 0.81 -0.04 0.00 -1.93 0.00 0.00 57.85 56.73 1n1e n ARG 190 Cb 0.02 -5.40 -0.09 0.00 -1.16 0.00 0.00 32.46 25.83 1n1e n ARG 190 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1n1e h SER 191 N 0.00 0.00 -3.27 0.55 4.64 -1.86 -3.44 113.55 110.16 1n1e h SER 191 Ca -0.38 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.44 1n1e h SER 191 Cb 1.26 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.96 1n1e h SER 191 CO 0.46 0.83 -0.77 0.12 -0.87 0.00 0.00 176.83 176.60 1n1e s PHE 192 N -2.77 1.05 -0.10 4.77 5.36 -1.26 -0.88 117.98 124.15 1n1e s PHE 192 Ca -0.00 -0.67 0.02 0.00 -0.96 0.00 0.00 56.93 55.31 1n1e s PHE 192 Cb 0.09 -1.01 0.01 0.00 -0.34 0.00 0.00 43.02 41.77 1n1e s PHE 192 CO 0.80 -0.52 -0.15 0.08 -1.46 0.00 0.00 175.22 173.98 1n1e s VAL 193 N 1.85 1.44 0.03 3.12 1.01 -0.22 -1.64 120.40 126.00 1n1e s VAL 193 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1n1e s VAL 193 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1n1e s VAL 193 CO -0.07 0.43 0.03 0.00 0.00 0.00 0.00 175.10 175.49 1n1e s TRP 195 N -1.21 2.11 0.26 0.00 0.52 0.48 -4.94 118.94 116.16 1n1e s TRP 195 Ca 0.23 -0.88 -0.20 0.00 0.02 0.00 0.00 56.10 55.27 1n1e s TRP 195 Cb -0.12 -1.46 -0.09 0.00 -1.15 0.00 0.00 33.47 30.65 1n1e s TRP 195 CO 0.15 -0.39 0.77 0.00 0.02 0.00 0.00 176.95 177.50 1n1e s ALA 196 N 0.58 3.35 0.19 0.98 0.00 -1.26 -1.33 121.76 124.26 1n1e s ALA 196 Ca -0.15 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.85 1n1e s ALA 196 Cb -0.17 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.10 1n1e s ALA 196 CO 0.05 0.29 0.52 -0.08 0.00 0.00 0.00 175.76 176.55 1n1e s THR 197 N -1.63 0.03 -1.43 0.00 -1.32 -0.56 -4.91 115.64 105.80 1n1e s THR 197 Ca 0.47 -0.67 0.15 0.00 -1.21 0.00 0.00 61.69 60.43 1n1e s THR 197 Cb -0.16 -1.48 0.01 0.00 -1.51 0.00 0.00 72.50 69.36 1n1e s THR 197 CO 0.21 -0.12 0.83 0.35 -2.21 0.00 0.00 174.62 173.68 1n1e n THR 198 N -0.34 0.00 -2.00 5.08 -2.24 -1.26 -1.86 114.28 111.66 1n1e n THR 198 Ca -0.11 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1n1e n THR 198 Cb 0.63 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1n1e n THR 198 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1n1e n ASP 199 N -0.05 4.25 -0.08 3.42 4.64 -1.26 -4.52 116.55 122.96 1n1e n ASP 199 Ca 0.07 -2.89 -0.11 0.00 -1.38 0.00 0.00 54.79 50.48 1n1e n ASP 199 Cb 0.32 -1.66 0.03 0.00 -1.04 0.00 0.00 41.12 38.77 1n1e n ASP 199 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1n1e h THR 200 N 4.33 1.28 -0.04 5.18 1.35 -1.89 -1.58 112.91 121.53 1n1e h THR 200 Ca 0.52 -1.57 -0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1n1e h THR 200 Cb 0.69 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1n1e h THR 200 CO 1.75 0.51 0.02 0.58 -0.25 0.00 0.00 175.52 178.14 1n1e h VAL 201 N 0.66 1.12 -0.82 6.82 2.07 -1.97 -1.61 116.25 122.51 1n1e h VAL 201 Ca 0.05 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.30 1n1e h VAL 201 Cb 0.96 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1n1e h VAL 201 CO 0.09 0.10 0.49 1.23 0.02 0.00 0.00 177.57 179.50 1n1e h GLY 202 N -0.07 1.25 0.88 2.17 0.00 -1.89 -0.56 103.07 104.85 1n1e h GLY 202 Ca 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1n1e h GLY 202 CO -0.00 0.21 0.04 0.00 0.00 0.00 0.00 176.54 176.78 1n1e h GLU 204 N -0.01 0.26 -0.15 0.00 4.11 -0.95 -0.67 114.58 117.17 1n1e h GLU 204 Ca 0.03 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.23 1n1e h GLU 204 Cb 0.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1n1e h GLU 204 CO -0.00 0.86 0.01 0.28 0.07 0.00 0.00 179.01 180.23 1n1e h VAL 205 N 0.18 1.23 -0.49 -1.06 2.07 -1.13 -2.16 116.25 114.90 1n1e h VAL 205 Ca -0.02 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1n1e h VAL 205 Cb 1.25 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1n1e h VAL 205 CO 0.11 0.23 0.31 0.00 0.02 0.00 0.00 177.57 178.24 1n1e h ALA 206 N 0.79 0.62 -0.99 1.67 0.00 -1.13 -1.19 119.26 119.03 1n1e h ALA 206 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1n1e h ALA 206 Cb 0.33 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1n1e h ALA 206 CO 0.00 0.08 0.65 0.77 0.00 0.00 0.00 179.25 180.76 1n1e h SER 207 N 0.65 1.12 -0.04 0.00 0.02 -1.09 -0.20 113.55 114.02 1n1e h SER 207 Ca 0.18 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1n1e h SER 207 Cb -0.05 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.21 1n1e h SER 207 CO -0.04 0.81 -0.31 0.00 -1.14 0.00 0.00 176.83 176.15 1n1e h ALA 208 N 1.39 0.09 -0.13 3.77 0.00 -1.04 -3.32 119.26 120.03 1n1e h ALA 208 Ca 0.37 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1n1e h ALA 208 Cb -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1n1e h ALA 208 CO -0.09 0.15 -0.65 0.28 0.00 0.00 0.00 179.25 178.95 1n1e h VAL 209 N -0.27 1.35 -0.34 0.00 2.07 -1.12 -3.09 116.25 114.84 1n1e h VAL 209 Ca -0.03 -1.97 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 1n1e h VAL 209 Cb 1.00 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1n1e h VAL 209 CO 0.06 0.60 0.19 0.07 0.02 0.00 0.00 177.57 178.52 1n1e h LYS 210 N 0.36 0.45 -0.47 1.57 5.09 -1.14 -0.49 116.57 121.94 1n1e h LYS 210 Ca -0.02 -0.04 -0.05 0.00 0.09 0.00 0.00 60.65 60.64 1n1e h LYS 210 Cb 1.21 -0.10 -0.02 0.00 0.10 0.00 0.00 32.23 33.43 1n1e h LYS 210 CO 0.12 0.32 0.07 -0.91 -2.09 0.00 0.00 179.45 176.96 1n1e h ASN 211 N 0.46 0.68 -0.17 7.07 2.35 -1.63 0.37 115.58 124.71 1n1e h ASN 211 Ca 0.12 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1n1e h ASN 211 Cb -0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1n1e h ASN 211 CO -0.02 0.70 -0.06 0.58 -1.65 0.00 0.00 177.43 176.98 1n1e h VAL 212 N 0.70 1.30 -0.31 2.81 2.07 -1.22 -2.86 116.25 118.73 1n1e h VAL 212 Ca 0.15 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1n1e h VAL 212 Cb 0.32 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1n1e h VAL 212 CO 0.00 0.32 0.15 -0.07 0.02 0.00 0.00 177.57 177.99 1n1e h LEU 213 N 0.02 0.38 -1.04 2.57 3.38 -0.99 -1.61 115.31 118.03 1n1e h LEU 213 Ca 0.04 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1n1e h LEU 213 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1n1e h LEU 213 CO 0.02 0.33 -0.21 0.00 0.09 0.00 0.00 178.44 178.67 1n1e h ALA 214 N 1.73 1.19 -0.41 1.53 0.00 -0.86 -0.47 119.26 121.97 1n1e h ALA 214 Ca 0.11 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1n1e h ALA 214 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1n1e h ALA 214 CO -0.02 0.52 0.21 0.82 0.00 0.00 0.00 179.25 180.79 1n1e h ILE 215 N 0.40 0.98 -0.80 0.00 2.04 -1.07 -1.60 117.51 117.46 1n1e h ILE 215 Ca 0.06 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1n1e h ILE 215 Cb 0.59 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1n1e h ILE 215 CO 0.04 0.08 0.50 1.23 0.00 0.00 0.00 178.15 180.00 1n1e h GLY 216 N 0.43 1.17 1.00 5.37 0.00 -0.99 -0.22 103.07 109.83 1n1e h GLY 216 Ca 0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1n1e h GLY 216 CO -0.12 0.31 0.34 0.23 0.00 0.00 0.00 176.54 177.30 1n1e h SER 217 N 0.97 0.86 -0.71 0.19 0.87 -0.90 -1.24 113.55 113.58 1n1e h SER 217 Ca 0.33 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1n1e h SER 217 Cb 0.05 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 1n1e h SER 217 CO -0.13 0.73 0.44 1.23 -0.53 0.00 0.00 176.83 178.58 1n1e h GLY 218 N 0.92 1.04 0.97 5.77 0.00 -0.76 -1.89 103.07 109.11 1n1e h GLY 218 Ca 0.23 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1n1e h GLY 218 CO -0.03 0.27 0.22 -2.08 0.00 0.00 0.00 176.54 174.92 1n1e h VAL 219 N 0.85 1.07 -0.56 4.60 2.07 -0.51 -0.31 116.25 123.45 1n1e h VAL 219 Ca 0.29 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1n1e h VAL 219 Cb 0.05 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1n1e h VAL 219 CO -0.12 0.08 0.19 0.00 0.02 0.00 0.00 177.57 177.74 1n1e h ALA 220 N 1.14 0.70 -0.48 1.67 0.00 -0.87 0.40 119.26 121.82 1n1e h ALA 220 Ca 0.13 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1n1e h ALA 220 Cb -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1n1e h ALA 220 CO -0.04 -0.23 0.13 -0.97 0.00 0.00 0.00 179.25 178.14 1n1e h ASN 221 N 0.35 0.72 0.48 0.00 -0.73 -0.92 -1.20 115.58 114.28 1n1e h ASN 221 Ca 0.28 -0.23 -0.06 0.00 1.87 0.00 0.00 56.30 58.17 1n1e h ASN 221 Cb 0.35 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1n1e h ASN 221 CO -0.30 0.76 -0.29 1.23 -0.37 0.00 0.00 177.43 178.46 1n1e h GLY 222 N 0.65 0.00 1.66 1.57 0.00 -0.61 -1.62 103.07 104.71 1n1e h GLY 222 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1n1e h GLY 222 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1n1e n LEU 223 N -3.84 0.00 0.00 3.11 4.77 0.09 -4.01 117.00 117.12 1n1e n LEU 223 Ca -0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1n1e n LEU 223 Cb 0.37 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1n1e n LEU 223 CO 0.36 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1n1e n GLY 224 N 0.95 0.72 3.88 -0.72 0.00 -0.61 -5.07 105.19 104.34 1n1e n GLY 224 Ca 0.11 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1n1e n GLY 224 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n1e s MET 225 N -0.80 2.36 0.00 1.61 -1.94 -0.48 -5.02 119.30 115.03 1n1e s MET 225 Ca 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 1n1e s MET 225 Cb 0.00 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.86 1n1e s MET 225 CO 0.00 -1.36 0.00 0.41 -0.01 0.00 0.00 175.02 174.06 1n1e n GLY 226 N -3.04 4.10 0.14 -0.03 0.00 -1.26 -4.53 105.19 100.56 1n1e n GLY 226 Ca 0.07 -2.09 -0.04 0.00 0.00 0.00 0.00 46.02 43.96 1n1e n GLY 226 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n1e h LEU 227 N 0.00 0.13 -0.61 0.99 3.38 -1.99 -2.54 115.31 114.67 1n1e h LEU 227 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1n1e h LEU 227 Cb 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1n1e h LEU 227 CO 0.00 0.79 0.33 0.78 0.09 0.00 0.00 178.44 180.43 1n1e h ASN 228 N 0.07 0.77 -0.49 -0.43 2.35 -1.99 -1.47 115.58 114.40 1n1e h ASN 228 Ca -0.01 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1n1e h ASN 228 Cb 1.25 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1n1e h ASN 228 CO 0.10 0.65 0.21 0.00 -1.65 0.00 0.00 177.43 176.74 1n1e h ALA 229 N 1.15 0.63 -0.84 -0.83 0.00 -1.92 -2.35 119.26 115.09 1n1e h ALA 229 Ca 0.21 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1n1e h ALA 229 Cb 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1n1e h ALA 229 CO -0.03 0.22 0.51 -0.09 0.00 0.00 0.00 179.25 179.87 1n1e h ARG 230 N 0.64 0.90 -0.57 0.00 2.43 -1.22 -1.23 114.38 115.33 1n1e h ARG 230 Ca 0.16 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1n1e h ARG 230 Cb 0.17 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1n1e h ARG 230 CO -0.02 0.59 -0.01 0.00 -1.51 0.00 0.00 179.97 179.03 1n1e h ALA 231 N 1.41 0.91 -0.50 2.80 0.00 -0.97 -1.12 119.26 121.79 1n1e h ALA 231 Ca 0.38 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1n1e h ALA 231 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1n1e h ALA 231 CO -0.19 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 1n1e h ALA 232 N 1.07 0.69 -0.67 0.00 0.00 -1.00 -1.40 119.26 117.94 1n1e h ALA 232 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n1e h ALA 232 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1n1e h ALA 232 CO 0.03 0.56 0.37 1.25 0.00 0.00 0.00 179.25 181.46 1n1e h LEU 233 N 0.80 0.84 -0.38 0.00 6.46 -0.90 -0.51 115.31 121.62 1n1e h LEU 233 Ca 0.13 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1n1e h LEU 233 Cb 0.61 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1n1e h LEU 233 CO 0.04 0.69 0.16 0.40 -0.62 0.00 0.00 178.44 179.11 1n1e h ILE 234 N 0.92 1.19 -0.10 4.05 2.04 -1.04 0.95 117.51 125.53 1n1e h ILE 234 Ca 0.24 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1n1e h ILE 234 Cb 0.04 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1n1e h ILE 234 CO -0.04 0.21 0.02 -0.03 0.00 0.00 0.00 178.15 178.31 1n1e h MET 235 N 0.47 0.16 -0.33 2.37 4.05 -1.07 -2.20 114.93 118.38 1n1e h MET 235 Ca 0.13 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.38 1n1e h MET 235 Cb 0.18 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1n1e h MET 235 CO -0.01 0.36 -0.32 0.00 0.23 0.00 0.00 176.91 177.17 1n1e h ARG 236 N -0.07 0.71 -0.57 0.39 2.47 -1.08 -3.13 114.38 113.10 1n1e h ARG 236 Ca 0.03 -0.33 -0.03 0.00 -1.26 0.00 0.00 59.98 58.39 1n1e h ARG 236 Cb 0.28 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 1n1e h ARG 236 CO 0.00 0.93 0.22 0.78 0.56 0.00 0.00 179.97 182.47 1n1e h GLY 237 N 0.97 0.88 2.00 0.04 0.00 -0.71 -2.22 103.07 104.04 1n1e h GLY 237 Ca 0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1n1e h GLY 237 CO 0.07 0.43 -0.14 -2.00 0.00 0.00 0.00 176.54 174.90 1n1e h LEU 238 N 0.81 0.00 -1.48 3.11 5.85 -1.34 -0.89 115.31 121.37 1n1e h LEU 238 Ca 0.19 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1n1e h LEU 238 Cb 0.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1n1e h LEU 238 CO -0.02 0.14 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.02 1n1e h LEU 239 N 0.00 0.16 -0.17 2.25 3.38 -1.47 -0.33 115.31 119.13 1n1e h LEU 239 Ca -0.00 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1n1e h LEU 239 Cb 0.28 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1n1e h LEU 239 CO 0.02 0.31 -0.62 -0.33 0.09 0.00 0.00 178.44 177.91 1n1e h GLU 240 N 0.16 0.72 -0.41 1.13 5.08 -1.22 -0.93 114.58 119.10 1n1e h GLU 240 Ca 0.03 -0.55 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1n1e h GLU 240 Cb 0.34 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1n1e h GLU 240 CO 0.02 1.16 0.20 0.82 -1.00 0.00 0.00 179.01 180.22 1n1e h ILE 241 N 0.42 0.97 0.01 3.13 2.04 -1.24 -1.82 117.51 121.01 1n1e h ILE 241 Ca -0.03 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1n1e h ILE 241 Cb 1.25 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1n1e h ILE 241 CO 0.13 0.07 -0.03 -0.09 0.00 0.00 0.00 178.15 178.23 1n1e h ARG 242 N 0.41 -0.06 -0.48 2.37 2.43 -0.96 -0.96 114.38 117.13 1n1e h ARG 242 Ca 0.18 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1n1e h ARG 242 Cb 0.09 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1n1e h ARG 242 CO -0.13 -0.04 0.10 -0.44 -1.51 0.00 0.00 179.97 177.95 1n1e h ASP 243 N -0.07 0.74 -0.57 -3.80 3.32 -1.04 -1.89 116.42 113.11 1n1e h ASP 243 Ca 0.01 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 1n1e h ASP 243 Cb 0.08 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1n1e h ASP 243 CO -0.03 0.79 0.03 0.25 -1.72 0.00 0.00 179.24 178.56 1n1e h LEU 244 N 0.66 0.97 -0.61 1.55 5.85 -1.29 -2.31 115.31 120.13 1n1e h LEU 244 Ca 0.15 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1n1e h LEU 244 Cb 0.35 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1n1e h LEU 244 CO 0.00 1.01 0.38 0.74 -0.34 0.00 0.00 178.44 180.24 1n1e h THR 245 N 0.93 1.11 -0.60 1.05 2.02 -0.83 -1.85 112.91 114.74 1n1e h THR 245 Ca 0.18 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1n1e h THR 245 Cb 0.49 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1n1e h THR 245 CO 0.02 0.14 0.39 0.00 0.37 0.00 0.00 175.52 176.44 1n1e h ALA 246 N 1.25 0.76 -0.14 6.16 0.00 -1.15 -2.01 119.26 124.13 1n1e h ALA 246 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1n1e h ALA 246 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1n1e h ALA 246 CO -0.08 0.18 -0.19 0.00 0.00 0.00 0.00 179.25 179.16 1n1e h ALA 247 N 1.23 1.43 -0.05 0.00 0.00 -1.02 -2.65 119.26 118.20 1n1e h ALA 247 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n1e h ALA 247 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1n1e h ALA 247 CO -0.06 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.87 1n1e n LEU 248 N -4.22 1.40 0.00 0.00 4.77 -0.73 -4.93 117.00 113.28 1n1e n LEU 248 Ca -0.01 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1n1e n LEU 248 Cb 0.31 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1n1e n LEU 248 CO 0.39 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1n1e n GLY 249 N 1.15 0.73 3.77 -0.72 0.00 -0.96 -5.06 105.19 104.10 1n1e n GLY 249 Ca 0.19 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1n1e n GLY 249 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n1e s GLY 250 N -2.01 2.28 0.00 -0.02 0.00 -0.80 -4.96 107.32 101.81 1n1e s GLY 250 Ca 0.00 0.62 0.28 0.00 0.00 0.00 0.00 44.72 45.62 1n1e s GLY 250 CO 0.00 0.98 1.77 2.09 0.00 0.00 0.00 173.10 177.94 1n1e n ASP 251 N -2.15 0.18 0.00 1.64 3.85 -1.26 -4.53 116.55 114.27 1n1e n ASP 251 Ca 0.11 0.19 0.00 0.00 -0.71 0.00 0.00 54.79 54.38 1n1e n ASP 251 Cb 0.52 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 1n1e n ASP 251 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n1e n GLY 252 N 1.48 0.86 0.27 6.12 0.00 -1.26 -4.91 105.19 107.74 1n1e n GLY 252 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1n1e n GLY 252 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n1e h SER 253 N 0.00 0.00 1.72 1.61 4.64 -1.95 -2.46 113.55 117.11 1n1e h SER 253 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n1e h SER 253 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1n1e h SER 253 CO 0.00 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 1n1e h ALA 254 N 1.90 1.00 -0.42 5.18 0.00 -1.90 -3.34 119.26 121.68 1n1e h ALA 254 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n1e h ALA 254 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1n1e h ALA 254 CO 0.01 0.00 0.23 0.28 0.00 0.00 0.00 179.25 179.77 1n1e h VAL 255 N 0.00 1.01 -0.54 0.00 2.07 -1.73 -1.69 116.25 115.37 1n1e h VAL 255 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1n1e h VAL 255 Cb 0.86 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1n1e h VAL 255 CO 0.00 0.08 0.00 0.49 0.02 0.00 0.00 177.57 178.16 1n1e n PHE 256 N -4.88 1.81 -2.34 1.57 3.01 -1.26 -0.73 117.46 114.63 1n1e n PHE 256 Ca 0.02 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.75 1n1e n PHE 256 Cb 0.08 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 1n1e n PHE 256 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n1e n GLY 257 N 0.52 2.71 0.30 1.37 0.00 -0.67 -4.69 105.19 104.74 1n1e n GLY 257 Ca 0.26 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 44.18 1n1e n GLY 257 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n1e h LEU 258 N 0.00 0.86 -0.78 0.99 3.38 -1.90 -2.19 115.31 115.68 1n1e h LEU 258 Ca 0.00 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1n1e h LEU 258 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1n1e h LEU 258 CO 0.00 0.88 -0.31 0.00 0.09 0.00 0.00 178.44 179.10 1n1e h ALA 259 N 1.22 0.95 -3.00 1.53 0.00 -1.73 -0.21 119.26 118.03 1n1e h ALA 259 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1n1e h ALA 259 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1n1e h ALA 259 CO 0.01 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1n1e n GLY 260 N -0.20 0.36 0.27 0.00 0.00 -1.00 -4.20 105.19 100.42 1n1e n GLY 260 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1n1e n GLY 260 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n1e h LEU 261 N 0.00 -0.39 0.46 0.99 6.46 -0.56 0.32 115.31 122.59 1n1e h LEU 261 Ca 0.00 0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1n1e h LEU 261 Cb 0.00 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1n1e h LEU 261 CO 0.00 -0.18 -0.22 1.23 -0.62 0.00 0.00 178.44 178.65 1n1e h GLY 262 N 0.08 -0.65 1.37 3.75 0.00 -1.38 -1.15 103.07 105.10 1n1e h GLY 262 Ca 0.38 0.24 -0.15 0.00 0.00 0.00 0.00 47.33 47.81 1n1e h GLY 262 CO -0.65 -0.24 -0.43 -1.80 0.00 0.00 0.00 176.54 173.42 1n1e h ASP 263 N -0.71 0.73 0.09 0.19 -0.00 -0.76 -2.15 116.42 113.81 1n1e h ASP 263 Ca -0.06 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.03 56.62 1n1e h ASP 263 Cb 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 1n1e h ASP 263 CO 0.10 1.06 -0.04 0.25 -0.00 0.00 0.00 179.24 180.62 1n1e h LEU 264 N 0.55 -0.10 -1.25 2.28 5.85 -0.92 -1.41 115.31 120.32 1n1e h LEU 264 Ca 0.04 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1n1e h LEU 264 Cb 0.97 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1n1e h LEU 264 CO 0.09 0.09 0.31 0.06 -0.34 0.00 0.00 178.44 178.65 1n1e h GLN 265 N -0.29 0.82 0.18 1.25 -0.00 -1.15 -1.02 115.11 114.91 1n1e h GLN 265 Ca -0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.54 1n1e h GLN 265 Cb 0.24 -0.16 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 1n1e h GLN 265 CO 0.02 0.62 -0.09 1.25 -0.00 0.00 0.00 178.83 180.63 1n1e h LEU 266 N 0.83 -0.20 -1.00 0.06 5.85 -1.22 -3.14 115.31 116.48 1n1e h LEU 266 Ca 0.21 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1n1e h LEU 266 Cb 0.05 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1n1e h LEU 266 CO -0.03 0.10 -0.44 0.74 -0.34 0.00 0.00 178.44 178.47 1n1e h THR 267 N -0.52 1.32 0.00 1.05 2.02 -1.05 -2.41 112.91 113.32 1n1e h THR 267 Ca -0.02 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1n1e h THR 267 Cb 0.40 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1n1e h THR 267 CO 0.04 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.39 1n1e n SER 269 N -1.28 1.77 -3.73 0.00 7.64 -0.91 -4.74 113.62 112.36 1n1e n SER 269 Ca 0.14 -1.76 -0.12 0.00 1.01 0.00 0.00 58.87 58.14 1n1e n SER 269 Cb 0.23 -0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 1n1e n SER 269 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n1e s SER 270 N -0.76 -0.41 0.04 6.43 0.15 -1.22 -5.01 113.70 112.92 1n1e s SER 270 Ca 0.00 0.77 0.12 0.00 0.70 0.00 0.00 55.95 57.54 1n1e s SER 270 Cb 0.00 0.74 0.54 0.00 -1.71 0.00 0.00 66.02 65.59 1n1e s SER 270 CO 0.00 -0.14 1.39 -1.84 1.20 0.00 0.00 173.24 173.85 1n1e n GLU 271 N 3.22 0.03 0.28 5.44 0.00 -1.26 -1.55 120.64 126.80 1n1e n GLU 271 Ca -0.16 0.34 0.14 0.00 0.00 0.00 0.00 57.16 57.49 1n1e n GLU 271 Cb 0.57 -1.56 0.83 0.00 0.00 0.00 0.00 31.44 31.28 1n1e n GLU 271 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1n1e h LEU 272 N 0.00 0.00 -9.37 -1.84 3.38 -1.95 -3.42 115.31 102.11 1n1e h LEU 272 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1n1e h LEU 272 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1n1e h LEU 272 CO 0.00 0.06 0.78 -0.55 0.09 0.00 0.00 178.44 178.82 1n1e s SER 273 N -6.12 6.92 0.25 -0.43 0.15 -0.60 -4.92 113.70 108.95 1n1e s SER 273 Ca -0.04 2.04 -0.04 0.00 0.70 0.00 0.00 55.95 58.60 1n1e s SER 273 Cb 0.14 -2.56 0.30 0.00 -1.71 0.00 0.00 66.02 62.19 1n1e s SER 273 CO 0.56 -0.67 1.85 0.03 1.20 0.00 0.00 173.24 176.22 1n1e h ARG 274 N 7.62 1.09 -0.27 5.44 -0.00 -1.88 -2.06 114.38 124.32 1n1e h ARG 274 Ca -0.37 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.98 58.83 1n1e h ARG 274 Cb 1.18 -0.20 -0.00 0.00 0.00 0.00 0.00 29.97 30.95 1n1e h ARG 274 CO 0.89 0.84 -0.28 -0.91 0.00 0.00 0.00 179.97 180.51 1n1e h ASN 275 N 1.08 0.72 -0.62 7.04 2.35 -1.89 -1.44 115.58 122.81 1n1e h ASN 275 Ca 0.26 -0.48 0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1n1e h ASN 275 Cb 0.12 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 1n1e h ASN 275 CO -0.03 1.05 0.24 0.15 -1.65 0.00 0.00 177.43 177.19 1n1e h PHE 276 N 0.40 0.43 -0.60 1.19 3.57 -1.61 -1.88 116.94 118.42 1n1e h PHE 276 Ca 0.04 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1n1e h PHE 276 Cb 0.85 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1n1e h PHE 276 CO 0.07 0.12 0.05 1.15 -2.23 0.00 0.00 178.31 177.48 1n1e h THR 277 N 0.43 1.26 -0.03 4.41 2.02 -1.15 0.38 112.91 120.24 1n1e h THR 277 Ca 0.31 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.43 1n1e h THR 277 Cb 0.37 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1n1e h THR 277 CO -0.30 0.39 -0.01 0.58 0.37 0.00 0.00 175.52 176.56 1n1e h VAL 278 N 0.93 0.97 -0.49 3.16 2.07 -0.94 -1.96 116.25 119.99 1n1e h VAL 278 Ca 0.18 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.79 1n1e h VAL 278 Cb 0.49 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 1n1e h VAL 278 CO 0.02 0.00 0.04 1.23 0.02 0.00 0.00 177.57 178.89 1n1e h GLY 279 N 0.00 0.55 0.83 2.17 0.00 -0.99 -0.53 103.07 105.10 1n1e h GLY 279 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1n1e h GLY 279 CO -0.03 -0.11 0.20 1.70 0.00 0.00 0.00 176.54 178.31 1n1e h LYS 280 N 0.17 0.40 -0.66 4.80 3.64 -0.62 0.17 116.57 124.47 1n1e h LYS 280 Ca 0.25 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1n1e h LYS 280 Cb 0.36 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1n1e h LYS 280 CO -0.37 0.27 0.24 0.87 -2.27 0.00 0.00 179.45 178.18 1n1e h LYS 281 N 0.41 1.00 -0.80 1.90 1.57 -1.01 -0.49 116.57 119.15 1n1e h LYS 281 Ca 0.17 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1n1e h LYS 281 Cb 0.06 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1n1e h LYS 281 CO -0.11 0.85 0.49 -0.07 -0.57 0.00 0.00 179.45 180.05 1n1e h LEU 282 N 0.94 0.96 -1.25 2.94 3.38 -0.60 -1.85 115.31 119.83 1n1e h LEU 282 Ca 0.22 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1n1e h LEU 282 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1n1e h LEU 282 CO -0.01 0.74 -0.20 1.23 0.09 0.00 0.00 178.44 180.28 1n1e h GLY 283 N 1.10 0.29 2.00 0.83 0.00 -0.27 -2.51 103.07 104.50 1n1e h GLY 283 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1n1e h GLY 283 CO -0.06 0.19 0.00 0.28 0.00 0.00 0.00 176.54 176.95 1n1e n LYS 284 N -4.20 0.09 0.00 4.80 4.76 -0.23 -4.10 118.16 119.28 1n1e n LYS 284 Ca -0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1n1e n LYS 284 Cb 0.33 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1n1e n LYS 284 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n1e n GLY 285 N 1.30 0.93 3.75 0.72 0.00 -0.90 -5.08 105.19 105.91 1n1e n GLY 285 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1n1e n GLY 285 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n1e s LEU 286 N 0.00 4.52 0.53 0.99 1.43 -0.74 -5.00 118.68 120.41 1n1e s LEU 286 Ca 0.00 2.27 -0.19 0.00 -1.03 0.00 0.00 54.13 55.19 1n1e s LEU 286 Cb 0.00 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 1n1e s LEU 286 CO 0.00 -0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.28 1n1e s PRO 287 N -1.16 3.52 0.42 1.29 0.04 -1.26 -4.25 135.00 133.60 1n1e s PRO 287 Ca 0.47 1.41 0.10 0.00 0.04 0.00 0.00 61.00 63.01 1n1e s PRO 287 Cb -0.32 -2.05 0.92 0.00 0.04 0.00 0.00 34.50 33.09 1n1e s PRO 287 CO 0.40 -0.68 2.03 0.97 0.04 0.00 0.00 177.00 179.77 1n1e h ILE 288 N 1.15 1.03 -0.64 0.56 6.09 -1.91 -2.58 117.51 121.20 1n1e h ILE 288 Ca -0.49 -0.17 -0.08 0.00 -1.37 0.00 0.00 64.86 62.75 1n1e h ILE 288 Cb 1.23 0.49 -0.03 0.00 0.47 0.00 0.00 36.82 38.98 1n1e h ILE 288 CO 0.58 0.09 0.10 -0.33 -3.07 0.00 0.00 178.15 175.52 1n1e h GLU 289 N 0.50 1.04 -0.35 2.19 3.07 -1.94 -1.31 114.58 117.78 1n1e h GLU 289 Ca 0.20 -0.27 -0.13 0.00 -0.50 0.00 0.00 59.36 58.66 1n1e h GLU 289 Cb 0.15 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1n1e h GLU 289 CO -0.05 0.96 -0.29 0.93 -1.40 0.00 0.00 179.01 179.16 1n1e h GLU 290 N 0.98 0.74 -0.15 2.33 4.39 -1.86 -2.78 114.58 118.22 1n1e h GLU 290 Ca 0.20 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1n1e h GLU 290 Cb 0.42 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1n1e h GLU 290 CO 0.01 0.94 0.10 0.82 -1.16 0.00 0.00 179.01 179.72 1n1e h ILE 291 N 0.63 1.03 0.00 3.13 1.08 -1.11 -3.00 117.51 119.27 1n1e h ILE 291 Ca 0.08 -0.07 -0.12 0.00 -0.39 0.00 0.00 64.86 64.36 1n1e h ILE 291 Cb 0.81 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 1n1e h ILE 291 CO 0.07 0.04 -0.55 1.56 -0.69 0.00 0.00 178.15 178.58 1n1e h GLN 292 N 0.20 0.00 0.00 2.37 1.08 -1.24 -2.63 115.11 114.89 1n1e h GLN 292 Ca 0.06 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.13 1n1e h GLN 292 Cb -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1n1e h GLN 292 CO -0.01 0.55 -0.60 0.07 -0.95 0.00 0.00 178.83 177.89 1n1e h ARG 293 N 0.00 0.00 -0.44 1.46 0.11 -1.48 -3.16 114.38 110.87 1n1e h ARG 293 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1n1e h ARG 293 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1n1e h ARG 293 CO 0.07 0.60 0.00 0.25 0.10 0.00 0.00 179.97 180.99 1n1e n THR 294 N -3.30 0.58 -2.88 0.08 -2.24 -1.14 -4.97 114.28 100.41 1n1e n THR 294 Ca 0.01 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.67 1n1e n THR 294 Cb 0.75 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.62 1n1e n THR 294 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1n1e s SER 295 N -1.32 7.27 0.00 3.42 0.01 -1.00 -4.95 113.70 117.13 1n1e s SER 295 Ca 0.39 1.53 0.14 0.00 1.31 0.00 0.00 55.95 59.32 1n1e s SER 295 Cb 0.22 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1n1e s SER 295 CO 0.30 -0.08 0.77 2.29 0.41 0.00 0.00 173.24 176.93 1n1e n LYS 296 N 3.17 1.85 -4.04 12.44 2.85 -1.26 -4.99 118.16 128.18 1n1e n LYS 296 Ca 0.00 -0.70 -0.10 0.00 -1.05 0.00 0.00 58.31 56.46 1n1e n LYS 296 Cb 0.50 -1.21 -0.11 0.00 -0.65 0.00 0.00 35.03 33.57 1n1e n LYS 296 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n1e s ALA 297 N -1.74 0.39 0.16 0.58 0.00 -1.26 -5.02 121.76 114.88 1n1e s ALA 297 Ca 0.11 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1n1e s ALA 297 Cb 0.11 0.14 -0.08 0.00 0.00 0.00 0.00 23.12 23.29 1n1e s ALA 297 CO 0.36 -0.16 1.25 0.08 0.00 0.00 0.00 175.76 177.29 1n1e s VAL 298 N -2.03 3.51 -0.58 0.00 1.01 -1.26 -5.00 120.40 116.05 1n1e s VAL 298 Ca -0.08 1.21 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 1n1e s VAL 298 Cb -0.06 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.70 1n1e s VAL 298 CO -0.02 0.16 0.41 0.00 0.00 0.00 0.00 175.10 175.64 1n1e s ALA 299 N 0.30 3.51 0.53 5.51 0.00 -1.26 -4.82 121.76 125.54 1n1e s ALA 299 Ca 0.56 -3.05 0.18 0.00 0.00 0.00 0.00 51.96 49.65 1n1e s ALA 299 Cb -0.34 -2.69 1.35 0.00 0.00 0.00 0.00 23.12 21.45 1n1e s ALA 299 CO 0.35 -2.04 2.15 0.93 0.00 0.00 0.00 175.76 177.16 1n1e h GLU 300 N 7.42 0.00 -0.27 0.00 4.39 -1.94 -2.17 114.58 122.01 1n1e h GLU 300 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1n1e h GLU 300 Cb 0.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1n1e h GLU 300 CO 0.73 0.00 0.17 0.78 -1.16 0.00 0.00 179.01 179.53 1n1e h GLY 301 N 0.00 0.38 0.88 -3.84 0.00 -1.89 -1.32 103.07 97.29 1n1e h GLY 301 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1n1e h GLY 301 CO -0.00 0.14 -0.23 -2.08 0.00 0.00 0.00 176.54 174.38 1n1e h VAL 302 N 0.37 0.52 -0.02 4.60 2.07 -1.71 -1.57 116.25 120.51 1n1e h VAL 302 Ca 0.10 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 1n1e h VAL 302 Cb -0.03 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1n1e h VAL 302 CO -0.02 0.04 -0.55 0.00 0.02 0.00 0.00 177.57 177.05 1n1e h ALA 303 N -0.29 1.04 -0.13 1.67 0.00 -1.69 -3.14 119.26 116.72 1n1e h ALA 303 Ca -0.06 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 1n1e h ALA 303 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1n1e h ALA 303 CO 0.11 0.69 -0.47 1.15 0.00 0.00 0.00 179.25 180.73 1n1e h THR 304 N 0.05 1.33 -0.84 0.00 2.02 -1.16 -3.30 112.91 111.01 1n1e h THR 304 Ca -0.00 -1.66 0.08 0.00 0.77 0.00 0.00 66.41 65.59 1n1e h THR 304 Cb 0.99 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.10 1n1e h THR 304 CO 0.08 0.50 0.55 0.00 0.37 0.00 0.00 175.52 177.01 1n1e h ALA 305 N 1.26 1.62 0.59 6.16 0.00 -1.23 0.28 119.26 127.93 1n1e h ALA 305 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n1e h ALA 305 Cb 0.92 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1n1e h ALA 305 CO 0.08 0.23 -0.28 0.22 0.00 0.00 0.00 179.25 179.49 1n1e h ASP 306 N 0.88 -0.67 -0.11 0.00 3.58 -1.75 -2.26 116.42 116.10 1n1e h ASP 306 Ca 0.37 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.86 1n1e h ASP 306 Cb 0.30 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1n1e h ASP 306 CO -0.14 -0.37 0.08 1.55 -2.88 0.00 0.00 179.24 177.48 1n1e h PRO 307 N -1.01 0.07 -0.31 0.28 0.13 -1.70 -2.03 132.00 127.42 1n1e h PRO 307 Ca -0.08 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1n1e h PRO 307 Cb 0.60 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1n1e h PRO 307 CO 0.13 0.04 0.18 1.25 -0.23 0.00 0.00 178.00 179.38 1n1e h LEU 308 N 0.07 0.37 -0.84 1.56 5.85 -0.91 0.36 115.31 121.77 1n1e h LEU 308 Ca 0.05 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1n1e h LEU 308 Cb 0.11 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1n1e h LEU 308 CO -0.01 0.32 0.49 -0.03 -0.34 0.00 0.00 178.44 178.88 1n1e h MET 309 N 0.39 1.15 -0.46 1.25 4.05 -0.76 -0.90 114.93 119.66 1n1e h MET 309 Ca 0.11 -0.11 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1n1e h MET 309 Cb 0.02 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.56 1n1e h MET 309 CO -0.02 0.82 -0.16 0.00 0.23 0.00 0.00 176.91 177.78 1n1e h ARG 310 N 1.16 0.87 -0.35 0.39 3.08 -0.96 -1.01 114.38 117.55 1n1e h ARG 310 Ca 0.30 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1n1e h ARG 310 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1n1e h ARG 310 CO -0.05 0.97 -0.34 1.25 -1.07 0.00 0.00 179.97 180.73 1n1e h LEU 311 N 0.77 0.91 -0.52 3.04 5.85 -0.70 -1.20 115.31 123.47 1n1e h LEU 311 Ca 0.12 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 1n1e h LEU 311 Cb 0.69 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1n1e h LEU 311 CO 0.05 1.19 0.13 0.00 -0.34 0.00 0.00 178.44 179.47 1n1e h ALA 312 N 0.75 0.68 0.06 1.25 0.00 -1.00 -1.14 119.26 119.86 1n1e h ALA 312 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n1e h ALA 312 Cb 0.93 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1n1e h ALA 312 CO 0.09 0.37 -0.06 -0.22 0.00 0.00 0.00 179.25 179.42 1n1e h LYS 313 N 0.72 -0.13 -0.96 0.00 3.64 -1.10 0.11 116.57 118.84 1n1e h LYS 313 Ca 0.16 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.72 1n1e h LYS 313 Cb 0.33 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 1n1e h LYS 313 CO 0.00 -0.09 0.61 0.37 -2.27 0.00 0.00 179.45 178.07 1n1e h GLN 314 N -0.14 0.72 -0.02 1.90 4.15 -1.06 -1.47 115.11 119.20 1n1e h GLN 314 Ca 0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1n1e h GLN 314 Cb 0.14 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1n1e h GLN 314 CO -0.02 0.48 -0.13 1.28 -1.93 0.00 0.00 178.83 178.50 1n1e n LEU 315 N -4.64 1.79 -3.64 -2.39 4.77 -0.45 -4.97 117.00 107.48 1n1e n LEU 315 Ca 0.20 -0.59 -0.26 0.00 -0.03 0.00 0.00 56.01 55.33 1n1e n LEU 315 Cb 0.52 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 1n1e n LEU 315 CO 0.26 0.31 0.16 0.29 -1.33 0.00 0.00 177.39 177.08 1n1e n LYS 316 N 0.21 -6.54 -3.53 3.23 4.76 0.23 -5.00 118.16 111.52 1n1e n LYS 316 Ca 0.15 0.74 -0.38 0.00 -2.87 0.00 0.00 58.31 55.95 1n1e n LYS 316 Cb 0.42 -5.70 -0.09 0.00 -1.84 0.00 0.00 35.03 27.82 1n1e n LYS 316 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1n1e s VAL 317 N -3.28 5.28 0.02 -0.18 1.01 -0.28 -5.03 120.40 117.94 1n1e s VAL 317 Ca 0.58 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1n1e s VAL 317 Cb -0.27 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1n1e s VAL 317 CO 0.72 0.26 1.02 -0.54 0.00 0.00 0.00 175.10 176.56 1n1e s LYS 318 N 1.49 4.55 -0.45 2.72 1.02 -1.26 -4.53 119.74 123.28 1n1e s LYS 318 Ca 0.11 1.48 0.06 0.00 0.02 0.00 0.00 55.97 57.64 1n1e s LYS 318 Cb -0.15 -3.44 0.21 0.00 -0.52 0.00 0.00 37.83 33.94 1n1e s LYS 318 CO 0.08 -0.07 0.46 -1.33 -0.92 0.00 0.00 175.35 173.57 1n1e n MET 319 N 3.83 0.75 -0.24 1.68 2.81 -1.26 -4.87 117.12 119.81 1n1e n MET 319 Ca 0.06 -3.44 0.01 0.00 -1.81 0.00 0.00 57.70 52.52 1n1e n MET 319 Cb 0.50 -1.59 0.13 0.00 -0.71 0.00 0.00 33.22 31.55 1n1e n MET 319 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1n1e h PRO 320 N 4.83 0.60 -0.00 0.03 0.13 -1.98 0.12 132.00 135.72 1n1e h PRO 320 Ca 0.17 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1n1e h PRO 320 Cb 0.86 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1n1e h PRO 320 CO 0.48 0.40 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.58 1n1e h LEU 321 N 0.62 0.01 -1.65 1.56 3.38 -1.95 -2.57 115.31 114.71 1n1e h LEU 321 Ca 0.34 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1n1e h LEU 321 Cb 0.32 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1n1e h LEU 321 CO -0.25 0.38 0.20 0.00 0.09 0.00 0.00 178.44 178.86 1n1e h HIS 323 N 0.44 -0.01 -0.51 0.00 -0.00 -0.66 -0.66 115.15 113.75 1n1e h HIS 323 Ca 0.12 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1n1e h HIS 323 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 1n1e h HIS 323 CO 0.00 0.20 0.16 1.96 -0.00 0.00 0.00 177.93 180.25 1n1e h GLN 324 N -0.22 0.76 -0.44 5.26 1.08 -1.02 -1.66 115.11 118.88 1n1e h GLN 324 Ca -0.00 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 1n1e h GLN 324 Cb 0.21 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1n1e h GLN 324 CO 0.00 0.67 0.00 0.82 -0.95 0.00 0.00 178.83 179.37 1n1e h ILE 325 N 0.75 1.26 -0.85 2.54 2.04 -0.97 -1.75 117.51 120.53 1n1e h ILE 325 Ca 0.17 -1.03 0.06 0.00 1.00 0.00 0.00 64.86 65.06 1n1e h ILE 325 Cb 0.23 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1n1e h ILE 325 CO -0.01 0.35 0.52 0.22 0.00 0.00 0.00 178.15 179.24 1n1e h TYR 326 N 0.61 0.97 -0.75 1.37 3.20 -0.71 -0.94 116.97 120.72 1n1e h TYR 326 Ca 0.12 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1n1e h TYR 326 Cb 0.49 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1n1e h TYR 326 CO 0.04 0.48 0.29 0.93 -1.64 0.00 0.00 178.16 178.26 1n1e h GLU 327 N 0.95 1.13 -0.28 1.82 4.39 -0.92 0.31 114.58 121.98 1n1e h GLU 327 Ca 0.37 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1n1e h GLU 327 Cb 0.19 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1n1e h GLU 327 CO -0.18 0.93 0.04 0.82 -1.16 0.00 0.00 179.01 179.46 1n1e h ILE 328 N 1.08 1.23 -0.14 3.13 2.04 -0.91 -0.33 117.51 123.62 1n1e h ILE 328 Ca 0.25 -0.80 -0.20 0.00 1.00 0.00 0.00 64.86 65.11 1n1e h ILE 328 Cb 0.23 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1n1e h ILE 328 CO -0.02 0.26 -0.69 0.58 0.00 0.00 0.00 178.15 178.28 1n1e h VAL 329 N 0.28 1.30 0.00 1.67 2.07 -0.95 -3.32 116.25 117.30 1n1e h VAL 329 Ca 0.08 -1.92 -0.21 0.00 0.82 0.00 0.00 66.70 65.47 1n1e h VAL 329 Cb 0.34 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 1n1e h VAL 329 CO 0.01 0.60 -1.93 -1.22 0.02 0.00 0.00 177.57 175.04 1n1e n TYR 330 N -4.03 0.00 -1.15 1.57 4.02 0.08 -4.67 117.16 112.97 1n1e n TYR 330 Ca -0.08 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.89 1n1e n TYR 330 Cb 0.70 -0.64 0.19 0.00 -0.02 0.00 0.00 39.34 39.56 1n1e n TYR 330 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1n1e n LYS 331 N -2.44 1.82 -1.53 -0.72 4.76 -0.18 -4.98 118.16 114.89 1n1e n LYS 331 Ca -0.20 -2.80 -0.18 0.00 -2.87 0.00 0.00 58.31 52.26 1n1e n LYS 331 Cb 0.87 -1.64 -0.08 0.00 -1.84 0.00 0.00 35.03 32.34 1n1e n LYS 331 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1n1e n LYS 332 N -1.12 -1.52 -2.01 1.97 4.01 -1.07 -4.89 118.16 113.53 1n1e n LYS 332 Ca 0.20 1.15 -0.42 0.00 -0.51 0.00 0.00 58.31 58.72 1n1e n LYS 332 Cb 0.75 -5.55 -0.03 0.00 -0.51 0.00 0.00 35.03 29.70 1n1e n LYS 332 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1n1e s LYS 333 N -3.56 4.24 0.06 1.97 2.20 -0.94 -4.93 119.74 118.78 1n1e s LYS 333 Ca 0.00 2.27 -0.32 0.00 -0.36 0.00 0.00 55.97 57.56 1n1e s LYS 333 Cb 0.00 -3.27 -0.11 0.00 -1.51 0.00 0.00 37.83 32.94 1n1e s LYS 333 CO 0.00 -0.58 1.84 -1.71 -0.36 0.00 0.00 175.35 174.54 1n1e n ASN 334 N 4.31 3.82 -0.34 1.43 4.05 -1.26 -4.40 115.26 122.87 1n1e n ASN 334 Ca 0.14 0.98 0.16 0.00 0.45 0.00 0.00 54.58 56.31 1n1e n ASN 334 Cb 0.40 -1.49 0.39 0.00 1.23 0.00 0.00 39.78 40.31 1n1e n ASN 334 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1n1e h PRO 335 N 8.79 0.61 -0.62 1.20 0.11 -1.91 -0.18 132.00 139.99 1n1e h PRO 335 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1n1e h PRO 335 Cb 1.24 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1n1e h PRO 335 CO 0.94 0.40 0.13 0.00 -0.21 0.00 0.00 178.00 179.26 1n1e h ARG 336 N 0.63 0.98 -0.59 1.05 3.08 -1.96 -1.05 114.38 116.52 1n1e h ARG 336 Ca 0.59 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 60.35 1n1e h ARG 336 Cb 1.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1n1e h ARG 336 CO -0.37 0.89 0.13 -0.44 -1.07 0.00 0.00 179.97 179.10 1n1e h ASP 337 N 0.94 0.91 -0.75 7.04 3.45 -1.45 -1.89 116.42 124.66 1n1e h ASP 337 Ca 0.20 -0.24 0.04 0.00 0.43 0.00 0.00 57.03 57.45 1n1e h ASP 337 Cb 0.36 -0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 38.84 1n1e h ASP 337 CO 0.00 0.92 0.47 0.00 -1.57 0.00 0.00 179.24 179.06 1n1e h ALA 338 N 1.03 1.00 -0.30 3.45 0.00 -0.88 -1.26 119.26 122.30 1n1e h ALA 338 Ca 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1n1e h ALA 338 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1n1e h ALA 338 CO 0.01 0.23 0.11 1.25 0.00 0.00 0.00 179.25 180.85 1n1e h LEU 339 N 0.89 0.42 -0.43 0.00 6.46 -1.04 -1.68 115.31 119.93 1n1e h LEU 339 Ca 0.31 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1n1e h LEU 339 Cb 0.08 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 1n1e h LEU 339 CO -0.14 0.48 0.25 0.00 -0.62 0.00 0.00 178.44 178.42 1n1e h ALA 340 N 0.96 0.54 -0.76 1.25 0.00 -1.03 -1.08 119.26 119.13 1n1e h ALA 340 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1n1e h ALA 340 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1n1e h ALA 340 CO -0.01 -0.08 0.26 -0.44 0.00 0.00 0.00 179.25 178.99 1n1e h ASP 341 N 0.50 1.08 -0.52 0.00 3.45 -1.11 -2.26 116.42 117.57 1n1e h ASP 341 Ca 0.17 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.47 1n1e h ASP 341 Cb 0.01 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.46 1n1e h ASP 341 CO -0.08 0.99 0.29 -0.07 -1.57 0.00 0.00 179.24 178.80 1n1e h LEU 342 N 1.12 0.45 -0.91 1.55 3.38 -0.97 -3.10 115.31 116.84 1n1e h LEU 342 Ca 0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1n1e h LEU 342 Cb 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1n1e h LEU 342 CO -0.01 0.32 0.00 0.18 0.09 0.00 0.00 178.44 179.01 1n1e n LEU 343 N -4.83 1.33 -0.88 1.67 4.77 -0.44 -4.08 117.00 114.55 1n1e n LEU 343 Ca 0.04 -0.65 0.07 0.00 -0.03 0.00 0.00 56.01 55.45 1n1e n LEU 343 Cb 0.10 -0.15 0.21 0.00 -2.33 0.00 0.00 43.42 41.25 1n1e n LEU 343 CO 0.31 0.32 0.68 -1.54 -1.33 0.00 0.00 177.39 175.83 1n1e n SER 344 N 0.20 2.56 0.23 -1.43 3.41 -0.91 -4.44 113.62 113.24 1n1e n SER 344 Ca 0.10 -2.02 0.14 0.00 -0.26 0.00 0.00 58.87 56.83 1n1e n SER 344 Cb 0.22 -0.32 0.39 0.00 -0.26 0.00 0.00 64.21 64.24 1n1e n SER 344 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n1e n GLY 346 N 0.67 -1.90 3.73 0.00 0.00 -1.26 -4.92 105.19 101.52 1n1e n GLY 346 Ca 0.03 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 1n1e n GLY 346 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n1e s LEU 347 N -4.80 4.42 0.28 0.99 1.43 -1.26 -5.03 118.68 114.71 1n1e s LEU 347 Ca 0.00 2.20 0.02 0.00 -1.03 0.00 0.00 54.13 55.32 1n1e s LEU 347 Cb 0.00 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1n1e s LEU 347 CO 0.00 -0.44 0.10 0.00 0.23 0.00 0.00 176.35 176.24 1n1e s GLN 348 N 0.27 1.50 0.61 1.70 -2.07 -1.26 -5.15 119.66 115.26 1n1e s GLN 348 Ca 0.56 -1.83 -0.15 0.00 -1.82 0.00 0.00 55.36 52.12 1n1e s GLN 348 Cb -0.33 -0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 31.21 1n1e s GLN 348 CO 0.34 -0.30 1.07 -0.51 -1.32 0.00 0.00 175.29 174.57 1n1e s ASP 349 N -3.36 5.60 0.11 12.60 1.01 -1.26 -4.97 116.67 126.39 1n1e s ASP 349 Ca 0.37 1.86 -0.20 0.00 0.71 0.00 0.00 52.55 55.29 1n1e s ASP 349 Cb 0.07 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.39 1n1e s ASP 349 CO 0.14 -1.29 1.70 -0.08 0.21 0.00 0.00 175.17 175.85 1n1e h GLU 350 N 0.31 0.29 -0.17 8.23 4.81 -2.05 -3.46 114.58 122.54 1n1e h GLU 350 Ca -0.47 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 1n1e h GLU 350 Cb 1.23 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1n1e h GLU 350 CO 0.57 0.28 -0.05 0.41 -0.73 0.00 0.00 179.01 179.48 1n1e n GLY 351 N -0.91 0.55 3.77 1.92 0.00 -1.26 -5.02 105.19 104.23 1n1e n GLY 351 Ca -0.03 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1n1e n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n1e s LEU 352 N -0.66 4.50 0.57 0.99 1.02 -1.26 -5.05 118.68 118.79 1n1e s LEU 352 Ca 0.00 1.88 -0.18 0.00 0.02 0.00 0.00 54.13 55.86 1n1e s LEU 352 Cb 0.00 -3.79 -0.04 0.00 0.02 0.00 0.00 46.19 42.38 1n1e s LEU 352 CO 0.00 0.06 1.09 -2.16 0.02 0.00 0.00 176.35 175.35 1n1e s PRO 353 N -1.59 3.31 0.61 1.29 0.04 -1.26 -5.01 135.00 132.39 1n1e s PRO 353 Ca 0.45 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 1n1e s PRO 353 Cb -0.22 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1n1e s PRO 353 CO 0.28 -0.84 1.22 -1.25 0.04 0.00 0.00 177.00 176.45 1n1e s PRO 354 N -3.68 2.83 -0.05 0.56 0.04 -1.26 -4.96 135.00 128.47 1n1e s PRO 354 Ca 0.68 1.86 0.17 0.00 0.04 0.00 0.00 61.00 63.74 1n1e s PRO 354 Cb -0.19 -1.91 -0.22 0.00 0.04 0.00 0.00 34.50 32.22 1n1e s PRO 354 CO 0.32 -1.33 0.51 1.28 0.04 0.00 0.00 177.00 177.82 1n1e n LEU 355 N -1.75 0.49 -4.28 -3.56 4.77 -1.26 -5.01 117.00 106.39 1n1e n LEU 355 Ca 0.14 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1n1e n LEU 355 Cb 0.49 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1n1e n LEU 355 CO 0.45 0.29 -0.26 -0.36 -1.33 0.00 0.00 177.39 176.18 1n1e s PHE 356 N -2.79 1.42 -2.16 -1.77 0.08 -1.26 -5.37 117.98 106.13 1n1e s PHE 356 Ca -0.06 -1.20 0.31 0.00 0.12 0.00 0.00 56.93 56.10 1n1e s PHE 356 Cb 0.08 -0.81 1.63 0.00 -0.57 0.00 0.00 43.02 43.35 1n1e s PHE 356 CO 0.83 -0.37 2.07 1.63 -0.10 0.00 0.00 175.22 179.28