#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p5e h MET 1 N 0.00 0.24 -0.92 1.43 1.85 -1.97 -2.83 114.93 112.73 1p5e h MET 1 Ca 0.00 -0.01 0.17 0.00 -0.61 0.00 0.00 59.70 59.24 1p5e h MET 1 Cb 0.00 -0.05 -0.08 0.00 0.43 0.00 0.00 31.60 31.90 1p5e h MET 1 CO 0.00 0.16 0.59 1.49 -0.40 0.00 0.00 176.91 178.75 1p5e h GLU 2 N 0.25 0.62 0.00 0.39 4.57 -2.05 -1.49 114.58 116.87 1p5e h GLU 2 Ca 0.07 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1p5e h GLU 2 Cb -0.03 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1p5e h GLU 2 CO -0.01 0.41 0.00 0.09 -1.18 0.00 0.00 179.01 178.32 1p5e n ASN 3 N -4.58 0.00 -4.50 1.04 5.03 -1.07 -4.79 115.26 106.39 1p5e n ASN 3 Ca 0.19 -0.40 -0.33 0.00 0.87 0.00 0.00 54.58 54.90 1p5e n ASN 3 Cb 0.54 -0.16 -0.12 0.00 -1.02 0.00 0.00 39.78 39.02 1p5e n ASN 3 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1p5e s PHE 4 N -2.31 2.90 -0.27 3.10 0.08 -0.56 0.12 117.98 121.03 1p5e s PHE 4 Ca 0.30 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 1p5e s PHE 4 Cb 0.17 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 1p5e s PHE 4 CO 0.34 0.09 -0.01 -1.14 -0.10 0.00 0.00 175.22 174.40 1p5e s GLN 5 N -0.22 2.84 0.33 0.44 2.00 -0.08 -4.94 119.66 120.03 1p5e s GLN 5 Ca 0.02 -1.00 -0.28 0.00 -2.00 0.00 0.00 55.36 52.10 1p5e s GLN 5 Cb -0.13 -3.14 -0.10 0.00 0.80 0.00 0.00 33.01 30.44 1p5e s GLN 5 CO 0.03 -0.45 1.27 0.15 -0.50 0.00 0.00 175.29 175.78 1p5e s LYS 6 N 1.36 4.35 -0.09 1.67 1.02 -1.26 -0.98 119.74 125.81 1p5e s LYS 6 Ca -0.00 2.14 -0.08 0.00 0.02 0.00 0.00 55.97 58.05 1p5e s LYS 6 Cb -0.17 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1p5e s LYS 6 CO -0.02 -0.16 -0.18 0.28 -0.92 0.00 0.00 175.35 174.35 1p5e n VAL 7 N 0.77 1.07 -3.68 3.17 0.31 0.57 -4.93 118.33 115.61 1p5e n VAL 7 Ca 0.00 0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.35 1p5e n VAL 7 Cb 0.43 -1.83 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 1p5e n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1p5e s GLU 8 N -2.36 0.87 0.17 5.55 -1.05 -1.18 -5.02 118.70 115.69 1p5e s GLU 8 Ca -0.17 -0.46 -0.28 0.00 -0.15 0.00 0.00 54.97 53.91 1p5e s GLU 8 Cb 0.05 0.31 -0.08 0.00 -0.44 0.00 0.00 34.13 33.97 1p5e s GLU 8 CO 0.23 -0.40 0.87 0.21 0.95 0.00 0.00 175.26 177.13 1p5e s LYS 9 N -2.97 4.70 0.00 -4.83 2.20 -1.26 -0.69 119.74 116.89 1p5e s LYS 9 Ca 0.12 1.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1p5e s LYS 9 Cb 0.01 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1p5e s LYS 9 CO -0.01 0.45 0.00 0.44 -0.36 0.00 0.00 175.35 175.87 1p5e n ILE 10 N 1.92 0.00 -3.86 5.43 -5.35 -0.06 -4.84 119.36 112.61 1p5e n ILE 10 Ca -0.02 -0.32 0.01 0.00 -0.27 0.00 0.00 62.75 62.15 1p5e n ILE 10 Cb 0.48 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 1p5e n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p5e n GLY 11 N 0.65 0.58 3.52 3.28 0.00 -1.12 -4.98 105.19 107.12 1p5e n GLY 11 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 1p5e n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p5e s GLU 12 N -2.01 0.96 0.00 1.61 -1.05 -1.26 -0.45 118.70 116.51 1p5e s GLU 12 Ca 0.09 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 55.05 1p5e s GLU 12 Cb -0.00 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1p5e s GLU 12 CO 0.00 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.30 1p5e n GLY 13 N 0.70 6.61 0.20 -3.83 0.00 0.41 -4.92 105.19 104.36 1p5e n GLY 13 Ca -0.16 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 1p5e n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p5e h THR 14 N 0.00 1.34 -0.29 2.61 2.02 -2.01 -3.35 112.91 113.23 1p5e h THR 14 Ca 0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1p5e h THR 14 Cb 0.00 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1p5e h THR 14 CO 0.00 0.61 0.00 -1.22 0.37 0.00 0.00 175.52 175.28 1p5e n TYR 15 N -3.90 0.75 0.00 3.16 4.01 -1.26 -5.05 117.16 114.87 1p5e n TYR 15 Ca -0.04 -0.73 0.00 0.00 -0.16 0.00 0.00 57.90 56.97 1p5e n TYR 15 Cb 0.67 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1p5e n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1p5e n GLY 16 N -0.12 1.81 3.97 2.72 0.00 -1.22 -0.75 105.19 111.61 1p5e n GLY 16 Ca 0.17 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 1p5e n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p5e s VAL 17 N -1.92 2.55 -0.12 1.61 -7.23 -1.26 -0.45 120.40 113.58 1p5e s VAL 17 Ca 0.00 -0.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1p5e s VAL 17 Cb 0.00 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1p5e s VAL 17 CO 0.00 0.00 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.92 1p5e s VAL 18 N -2.86 2.64 -0.08 1.32 1.01 0.41 -1.96 120.40 120.88 1p5e s VAL 18 Ca 0.59 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1p5e s VAL 18 Cb -0.10 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1p5e s VAL 18 CO 0.40 0.54 -0.04 -0.31 0.00 0.00 0.00 175.10 175.69 1p5e s TYR 19 N 0.33 3.04 0.13 5.22 2.02 -0.06 -0.88 117.35 127.14 1p5e s TYR 19 Ca -0.14 0.10 -0.31 0.00 -0.37 0.00 0.00 57.07 56.36 1p5e s TYR 19 Cb -0.17 -1.75 -0.08 0.00 -0.40 0.00 0.00 41.96 39.57 1p5e s TYR 19 CO 0.07 0.40 1.32 0.21 -1.57 0.00 0.00 175.55 175.98 1p5e s LYS 20 N -0.84 4.37 0.18 -0.62 2.20 0.13 0.17 119.74 125.33 1p5e s LYS 20 Ca 0.13 2.00 -0.03 0.00 -0.36 0.00 0.00 55.97 57.71 1p5e s LYS 20 Cb -0.11 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1p5e s LYS 20 CO 0.02 -0.34 0.16 0.00 -0.36 0.00 0.00 175.35 174.82 1p5e s ALA 21 N 0.82 0.83 -0.02 3.13 0.00 0.47 -0.31 121.76 126.68 1p5e s ALA 21 Ca 0.61 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1p5e s ALA 21 Cb -0.35 1.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1p5e s ALA 21 CO 0.32 -0.59 -0.08 -0.98 0.00 0.00 0.00 175.76 174.43 1p5e s ARG 22 N -4.10 0.76 -0.11 0.00 1.70 -0.15 0.07 118.95 117.11 1p5e s ARG 22 Ca 0.31 -0.27 -0.29 0.00 -0.47 0.00 0.00 55.73 55.01 1p5e s ARG 22 Cb 0.06 -0.73 -0.04 0.00 -0.57 0.00 0.00 34.95 33.67 1p5e s ARG 22 CO 0.08 0.13 1.55 1.21 -1.08 0.00 0.00 175.30 177.18 1p5e s ASN 23 N 0.05 6.68 0.53 -2.89 3.84 0.10 -0.90 114.94 122.35 1p5e s ASN 23 Ca -0.00 1.98 0.31 0.00 0.21 0.00 0.00 52.86 55.36 1p5e s ASN 23 Cb -0.06 -2.53 1.34 0.00 -0.55 0.00 0.00 41.25 39.45 1p5e s ASN 23 CO -0.00 -0.95 1.98 0.11 -2.79 0.00 0.00 177.10 175.45 1p5e h LYS 24 N 9.43 0.00 0.04 0.43 1.57 -0.65 -1.29 116.57 126.10 1p5e h LYS 24 Ca -0.35 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.05 1p5e h LYS 24 Cb 1.15 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1p5e h LYS 24 CO 0.97 0.07 -2.21 1.28 -0.57 0.00 0.00 179.45 178.99 1p5e n LEU 25 N -3.23 2.55 0.03 2.94 4.32 -1.26 -4.52 117.00 117.84 1p5e n LEU 25 Ca -0.00 0.12 0.11 0.00 -0.02 0.00 0.00 56.01 56.22 1p5e n LEU 25 Cb 0.31 -0.96 -0.04 0.00 -1.62 0.00 0.00 43.42 41.11 1p5e n LEU 25 CO 0.29 0.77 -0.21 0.35 -1.22 0.00 0.00 177.39 177.36 1p5e n THR 26 N -3.66 0.20 -0.05 -5.08 -2.24 -1.24 -4.97 114.28 97.24 1p5e n THR 26 Ca -0.42 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1p5e n THR 26 Cb 0.95 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1p5e n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p5e n GLY 27 N 1.31 2.20 3.71 3.38 0.00 -0.49 -5.01 105.19 110.29 1p5e n GLY 27 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1p5e n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p5e s GLU 28 N -0.24 4.15 0.02 1.61 2.12 -1.25 -4.56 118.70 120.56 1p5e s GLU 28 Ca 0.00 2.54 -0.27 0.00 0.36 0.00 0.00 54.97 57.60 1p5e s GLU 28 Cb 0.00 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 1p5e s GLU 28 CO 0.00 -0.76 0.83 0.08 -0.54 0.00 0.00 175.26 174.87 1p5e s VAL 29 N 1.86 4.79 0.17 3.70 1.01 -1.26 0.00 120.40 130.67 1p5e s VAL 29 Ca 0.76 1.76 0.02 0.00 0.00 0.00 0.00 61.98 64.53 1p5e s VAL 29 Cb -0.47 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 1p5e s VAL 29 CO 0.33 0.28 -0.01 0.68 0.00 0.00 0.00 175.10 176.38 1p5e s VAL 30 N 0.39 0.75 -0.14 2.92 -7.23 0.11 -3.34 120.40 113.86 1p5e s VAL 30 Ca 0.43 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1p5e s VAL 30 Cb -0.20 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1p5e s VAL 30 CO 0.24 -0.52 -0.01 0.00 -0.31 0.00 0.00 175.10 174.51 1p5e s ALA 31 N -3.61 3.16 -0.28 1.32 0.00 0.01 -0.40 121.76 121.97 1p5e s ALA 31 Ca 0.23 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1p5e s ALA 31 Cb 0.06 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.58 1p5e s ALA 31 CO 0.03 0.30 0.02 -0.51 0.00 0.00 0.00 175.76 175.61 1p5e s LEU 32 N 0.05 3.62 -0.44 0.00 1.43 0.13 -0.41 118.68 123.06 1p5e s LEU 32 Ca 0.02 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 1p5e s LEU 32 Cb -0.13 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1p5e s LEU 32 CO 0.02 -0.18 0.45 -0.75 0.23 0.00 0.00 176.35 176.12 1p5e s LYS 33 N 1.41 3.08 -0.00 1.70 2.20 0.29 -0.88 119.74 127.54 1p5e s LYS 33 Ca 0.01 -0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 54.48 1p5e s LYS 33 Cb -0.17 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 1p5e s LYS 33 CO -0.00 -0.91 0.92 0.21 -0.36 0.00 0.00 175.35 175.20 1p5e s LYS 34 N 2.12 4.55 -0.25 4.03 2.20 -0.83 -0.32 119.74 131.24 1p5e s LYS 34 Ca 0.11 1.31 0.02 0.00 -0.36 0.00 0.00 55.97 57.05 1p5e s LYS 34 Cb -0.18 -3.45 0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1p5e s LYS 34 CO 0.13 0.00 -0.09 0.42 -0.36 0.00 0.00 175.35 175.45 1p5e s ILE 35 N 0.86 1.93 0.17 5.43 -1.09 0.31 -3.42 121.20 125.38 1p5e s ILE 35 Ca 0.48 -1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 57.11 1p5e s ILE 35 Cb -0.21 -2.10 -0.08 0.00 -1.58 0.00 0.00 42.46 38.49 1p5e s ILE 35 CO 0.26 -0.07 1.25 -0.13 -1.23 0.00 0.00 174.94 175.02 1p5e s ARG 36 N 1.21 4.44 -0.22 2.79 0.52 0.07 -0.04 118.95 127.72 1p5e s ARG 36 Ca -0.07 1.93 -0.01 0.00 -0.52 0.00 0.00 55.73 57.06 1p5e s ARG 36 Cb -0.20 -3.24 -0.13 0.00 0.52 0.00 0.00 34.95 31.90 1p5e s ARG 36 CO -0.06 -0.19 -0.21 1.28 0.02 0.00 0.00 175.30 176.15 1p5e n LEU 37 N 2.85 2.75 -1.90 2.53 4.77 -1.25 -4.88 117.00 121.86 1p5e n LEU 37 Ca 0.06 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1p5e n LEU 37 Cb 0.44 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1p5e n LEU 37 CO 0.57 0.79 -0.31 -0.90 -1.33 0.00 0.00 177.39 176.21 1p5e n ASP 38 N -3.28 -5.70 0.08 -1.43 5.68 -1.26 -4.26 116.55 106.37 1p5e n ASP 38 Ca -0.39 1.28 0.03 0.00 -0.50 0.00 0.00 54.79 55.21 1p5e n ASP 38 Cb 0.89 -3.81 0.42 0.00 -1.14 0.00 0.00 41.12 37.48 1p5e n ASP 38 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1p5e h THR 39 N 3.95 1.13 -0.38 2.12 2.02 -1.97 -3.37 112.91 116.41 1p5e h THR 39 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1p5e h THR 39 Cb 0.00 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1p5e h THR 39 CO 0.00 0.17 0.00 -0.62 0.37 0.00 0.00 175.52 175.44 1p5e n GLU 40 N -4.38 3.53 0.00 6.66 4.71 -1.26 -4.84 120.64 125.06 1p5e n GLU 40 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1p5e n GLU 40 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.60 1p5e n GLU 40 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1p5e n THR 41 N 0.00 0.00 -0.37 2.62 -2.24 -1.26 -3.37 114.28 109.66 1p5e n THR 41 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1p5e n THR 41 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1p5e n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p5e n GLU 42 N 0.00 0.79 0.00 -0.78 -0.58 -1.26 -5.13 120.64 113.67 1p5e n GLU 42 Ca 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1p5e n GLU 42 Cb 0.00 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 1p5e n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p5e n GLY 43 N 0.15 -0.19 3.66 0.62 0.00 -1.22 -4.77 105.19 103.46 1p5e n GLY 43 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1p5e n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p5e s VAL 44 N 0.00 3.44 0.33 1.61 1.01 -1.26 -4.83 120.40 120.70 1p5e s VAL 44 Ca 0.00 0.57 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 1p5e s VAL 44 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 1p5e s VAL 44 CO 0.00 -0.05 1.55 -0.81 0.00 0.00 0.00 175.10 175.79 1p5e n PRO 45 N 7.06 2.70 0.07 2.72 -0.04 -1.26 -4.82 135.00 141.43 1p5e n PRO 45 Ca 0.18 0.95 0.12 0.00 -0.04 0.00 0.00 63.50 64.71 1p5e n PRO 45 Cb 0.42 -2.71 0.59 0.00 -0.04 0.00 0.00 33.50 31.76 1p5e n PRO 45 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p5e h SER 46 N 3.93 0.16 -0.80 3.54 4.64 -1.95 -0.33 113.55 122.74 1p5e h SER 46 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 1p5e h SER 46 Cb 1.23 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1p5e h SER 46 CO 0.72 0.10 0.34 0.71 -0.87 0.00 0.00 176.83 177.83 1p5e h THR 47 N 0.18 1.26 -0.22 2.95 1.35 -1.90 0.12 112.91 116.65 1p5e h THR 47 Ca 0.16 -0.79 -0.19 0.00 -0.55 0.00 0.00 66.41 65.04 1p5e h THR 47 Cb 0.39 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1p5e h THR 47 CO -0.02 0.33 -0.61 0.00 -0.25 0.00 0.00 175.52 174.97 1p5e h ALA 48 N 1.21 0.52 -0.43 6.62 0.00 -1.43 -0.37 119.26 125.38 1p5e h ALA 48 Ca 0.27 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1p5e h ALA 48 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1p5e h ALA 48 CO -0.03 0.69 0.27 0.82 0.00 0.00 0.00 179.25 181.00 1p5e h ILE 49 N 0.54 1.13 -0.17 0.00 2.04 -0.70 -1.65 117.51 118.71 1p5e h ILE 49 Ca -0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1p5e h ILE 49 Cb 1.20 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1p5e h ILE 49 CO 0.12 0.13 -0.06 0.03 0.00 0.00 0.00 178.15 178.38 1p5e h ARG 50 N 0.57 0.33 -0.40 2.37 3.08 -0.77 -2.60 114.38 116.97 1p5e h ARG 50 Ca 0.15 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1p5e h ARG 50 Cb -0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1p5e h ARG 50 CO -0.03 0.62 0.20 1.49 -1.07 0.00 0.00 179.97 181.19 1p5e h GLU 51 N 0.03 0.40 0.19 0.04 4.81 -0.95 -1.59 114.58 117.51 1p5e h GLU 51 Ca 0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1p5e h GLU 51 Cb 0.51 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1p5e h GLU 51 CO 0.02 0.27 -0.09 0.82 -0.73 0.00 0.00 179.01 179.30 1p5e h ILE 52 N 0.41 0.91 -0.31 2.32 2.04 -1.36 -1.58 117.51 119.95 1p5e h ILE 52 Ca 0.17 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1p5e h ILE 52 Cb 0.07 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1p5e h ILE 52 CO -0.11 0.17 -0.02 0.77 0.00 0.00 0.00 178.15 178.95 1p5e h SER 53 N -0.65 0.45 0.31 1.72 4.64 -1.46 -1.32 113.55 117.25 1p5e h SER 53 Ca -0.03 -0.09 -0.26 0.00 -0.47 0.00 0.00 61.79 60.95 1p5e h SER 53 Cb 0.47 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1p5e h SER 53 CO 0.04 0.54 -1.08 -0.07 -0.87 0.00 0.00 176.83 175.39 1p5e h LEU 54 N 0.46 0.63 -1.14 5.97 3.38 -1.33 -3.26 115.31 120.02 1p5e h LEU 54 Ca 0.10 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1p5e h LEU 54 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1p5e h LEU 54 CO 0.01 1.37 -0.36 0.25 0.09 0.00 0.00 178.44 179.80 1p5e h LEU 55 N 0.23 0.00 -1.90 1.67 5.85 -0.95 -2.47 115.31 117.74 1p5e h LEU 55 Ca -0.12 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1p5e h LEU 55 Cb 1.74 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 1p5e h LEU 55 CO 0.19 0.36 -0.08 0.11 -0.34 0.00 0.00 178.44 178.68 1p5e h LYS 56 N 0.00 0.00 0.00 1.25 1.57 -1.29 -2.54 116.57 115.55 1p5e h LYS 56 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1p5e h LYS 56 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1p5e h LYS 56 CO 0.05 0.08 -1.27 0.39 -0.57 0.00 0.00 179.45 178.13 1p5e n GLU 57 N -3.38 0.62 -3.28 3.15 1.02 -0.94 -4.76 120.64 113.06 1p5e n GLU 57 Ca -0.01 0.07 -0.45 0.00 -0.02 0.00 0.00 57.16 56.75 1p5e n GLU 57 Cb 0.25 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1p5e n GLU 57 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1p5e n LEU 58 N -2.62 5.68 -4.49 -4.62 4.77 -0.96 -4.97 117.00 109.79 1p5e n LEU 58 Ca -0.02 -5.07 -0.43 0.00 -0.03 0.00 0.00 56.01 50.46 1p5e n LEU 58 Cb 0.60 -1.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.15 1p5e n LEU 58 CO 0.42 1.41 0.13 0.21 -1.33 0.00 0.00 177.39 178.23 1p5e s ASN 59 N 0.79 6.21 -0.26 -1.43 2.47 -1.26 -4.91 114.94 116.55 1p5e s ASN 59 Ca 0.31 -0.62 -0.24 0.00 0.42 0.00 0.00 52.86 52.73 1p5e s ASN 59 Cb -0.08 -2.23 0.07 0.00 -1.45 0.00 0.00 41.25 37.56 1p5e s ASN 59 CO -0.05 -0.59 0.69 -2.28 -3.72 0.00 0.00 177.10 171.14 1p5e s HIS 60 N 2.20 -0.76 0.58 0.43 2.46 -1.26 -5.04 115.29 113.90 1p5e s HIS 60 Ca 0.13 1.84 0.34 0.00 0.47 0.00 0.00 55.06 57.85 1p5e s HIS 60 Cb -0.17 0.27 1.87 0.00 -0.13 0.00 0.00 32.58 34.42 1p5e s HIS 60 CO 0.14 -0.37 2.05 -1.00 -2.47 0.00 0.00 174.74 173.09 1p5e h PRO 61 N 5.10 0.00 -0.28 2.88 0.13 -1.99 -1.82 132.00 136.03 1p5e h PRO 61 Ca -0.29 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1p5e h PRO 61 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1p5e h PRO 61 CO 0.07 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.94 1p5e n ASN 62 N -2.87 3.68 -4.03 1.44 4.13 -1.26 -4.85 115.26 111.49 1p5e n ASN 62 Ca -0.02 -3.13 -0.26 0.00 1.68 0.00 0.00 54.58 52.85 1p5e n ASN 62 Cb 0.23 -0.56 -0.17 0.00 -1.54 0.00 0.00 39.78 37.74 1p5e n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1p5e s ILE 63 N -2.90 1.23 0.04 2.41 1.01 -0.68 -0.81 121.20 121.49 1p5e s ILE 63 Ca 0.43 -0.52 -0.36 0.00 0.00 0.00 0.00 60.65 60.19 1p5e s ILE 63 Cb 0.35 -1.13 -0.16 0.00 0.01 0.00 0.00 42.46 41.54 1p5e s ILE 63 CO 0.08 0.38 1.49 0.55 0.00 0.00 0.00 174.94 177.43 1p5e n VAL 64 N 3.93 0.08 -2.93 2.92 3.14 -0.33 -4.56 118.33 120.58 1p5e n VAL 64 Ca -0.21 -0.02 -0.42 0.00 -2.96 0.00 0.00 64.34 60.73 1p5e n VAL 64 Cb 0.52 -1.10 -0.05 0.00 -1.06 0.00 0.00 33.84 32.15 1p5e n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1p5e s LYS 65 N 1.27 4.09 -0.27 1.45 2.20 -1.26 -4.99 119.74 122.22 1p5e s LYS 65 Ca 0.86 0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 56.95 1p5e s LYS 65 Cb -0.89 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 31.75 1p5e s LYS 65 CO 0.48 -0.57 1.26 -1.17 -0.36 0.00 0.00 175.35 174.99 1p5e s LEU 66 N 2.87 3.95 -0.04 5.43 2.96 -1.26 -1.66 118.68 130.93 1p5e s LEU 66 Ca 0.33 1.29 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 1p5e s LEU 66 Cb -0.15 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.75 1p5e s LEU 66 CO 0.09 -0.98 0.69 -0.07 -1.32 0.00 0.00 176.35 174.76 1p5e h LEU 67 N 10.51 0.21 -7.00 -0.68 3.38 0.36 -3.49 115.31 118.60 1p5e h LEU 67 Ca -0.25 -0.38 0.19 0.00 0.09 0.00 0.00 57.88 57.53 1p5e h LEU 67 Cb 1.09 -0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 1p5e h LEU 67 CO 1.02 1.33 0.68 -0.62 0.09 0.00 0.00 178.44 180.94 1p5e s ASP 68 N -6.61 -0.23 -0.14 -0.43 -1.08 -1.08 -5.01 116.67 102.10 1p5e s ASP 68 Ca -0.10 0.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 1p5e s ASP 68 Cb 0.07 0.24 0.02 0.00 -1.46 0.00 0.00 42.92 41.80 1p5e s ASP 68 CO 0.82 -0.39 -0.14 -0.69 0.52 0.00 0.00 175.17 175.28 1p5e s VAL 69 N -2.70 1.54 -0.22 1.11 1.01 -1.26 -0.85 120.40 119.03 1p5e s VAL 69 Ca 0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 1p5e s VAL 69 Cb -0.01 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1p5e s VAL 69 CO -0.06 0.45 -0.01 -0.63 0.00 0.00 0.00 175.10 174.85 1p5e s ILE 70 N 1.43 3.76 -0.48 2.22 -1.09 0.37 -4.97 121.20 122.43 1p5e s ILE 70 Ca 0.03 -0.37 -0.17 0.00 -2.23 0.00 0.00 60.65 57.91 1p5e s ILE 70 Cb -0.13 -2.71 0.06 0.00 -1.58 0.00 0.00 42.46 38.10 1p5e s ILE 70 CO -0.09 0.41 0.49 -2.28 -1.23 0.00 0.00 174.94 172.24 1p5e s HIS 71 N 1.30 3.16 -0.39 3.97 5.65 -1.26 -0.31 115.29 127.41 1p5e s HIS 71 Ca 0.04 -0.70 -0.03 0.00 0.25 0.00 0.00 55.06 54.62 1p5e s HIS 71 Cb -0.15 -3.27 0.10 0.00 -1.18 0.00 0.00 32.58 28.08 1p5e s HIS 71 CO 0.00 -0.87 0.17 -0.08 -0.65 0.00 0.00 174.74 173.30 1p5e s THR 72 N 2.09 3.23 -0.42 0.89 -1.32 -1.09 -4.89 115.64 114.12 1p5e s THR 72 Ca 0.09 -1.94 -0.15 0.00 -1.21 0.00 0.00 61.69 58.48 1p5e s THR 72 Cb -0.21 -3.16 0.02 0.00 -1.51 0.00 0.00 72.50 67.64 1p5e s THR 72 CO 0.10 -0.59 0.43 -0.62 -2.21 0.00 0.00 174.62 171.73 1p5e n GLU 73 N 4.59 -1.19 -3.04 7.08 -0.58 -1.26 -3.04 120.64 123.20 1p5e n GLU 73 Ca -0.04 0.76 -0.12 0.00 -0.42 0.00 0.00 57.16 57.34 1p5e n GLU 73 Cb 0.42 -1.41 0.04 0.00 -0.57 0.00 0.00 31.44 29.92 1p5e n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1p5e n ASN 74 N -0.60 -4.04 -3.59 1.62 3.02 -1.26 -5.06 115.26 105.36 1p5e n ASN 74 Ca -0.13 -0.29 -0.12 0.00 -0.03 0.00 0.00 54.58 54.00 1p5e n ASN 74 Cb 0.47 -2.91 -0.05 0.00 -0.61 0.00 0.00 39.78 36.68 1p5e n ASN 74 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1p5e s LYS 75 N -5.57 1.07 -0.17 3.52 -2.85 -1.17 -3.97 119.74 110.59 1p5e s LYS 75 Ca 0.27 -0.46 -0.06 0.00 -1.00 0.00 0.00 55.97 54.72 1p5e s LYS 75 Cb -0.12 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1p5e s LYS 75 CO 0.39 -0.41 0.03 -0.51 0.10 0.00 0.00 175.35 174.95 1p5e s LEU 76 N -2.39 3.62 -0.25 2.77 1.02 0.94 -2.67 118.68 121.72 1p5e s LEU 76 Ca -0.01 0.01 -0.05 0.00 0.02 0.00 0.00 54.13 54.10 1p5e s LEU 76 Cb 0.00 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.31 1p5e s LEU 76 CO -0.07 0.18 0.00 -0.31 0.02 0.00 0.00 176.35 176.17 1p5e s TYR 77 N 0.35 3.06 -0.31 0.29 2.02 0.58 0.11 117.35 123.44 1p5e s TYR 77 Ca 0.01 -1.06 -0.19 0.00 -0.37 0.00 0.00 57.07 55.45 1p5e s TYR 77 Cb -0.13 -2.16 -0.01 0.00 -0.40 0.00 0.00 41.96 39.27 1p5e s TYR 77 CO 0.01 -0.59 0.59 -0.51 -1.57 0.00 0.00 175.55 173.48 1p5e s LEU 78 N 1.46 4.18 -0.43 -1.29 1.43 0.57 -0.48 118.68 124.12 1p5e s LEU 78 Ca 0.03 0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 53.24 1p5e s LEU 78 Cb -0.16 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.34 1p5e s LEU 78 CO -0.01 -0.47 0.65 -0.69 0.23 0.00 0.00 176.35 176.06 1p5e s VAL 79 N 2.53 4.82 0.16 -1.59 1.01 -0.03 -0.54 120.40 126.76 1p5e s VAL 79 Ca 0.23 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1p5e s VAL 79 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1p5e s VAL 79 CO 0.12 -0.58 -0.01 -0.36 0.00 0.00 0.00 175.10 174.27 1p5e s PHE 80 N 2.83 2.84 0.30 5.22 0.08 0.46 0.10 117.98 129.81 1p5e s PHE 80 Ca 0.23 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 1p5e s PHE 80 Cb -0.14 -1.39 -0.12 0.00 -0.57 0.00 0.00 43.02 40.80 1p5e s PHE 80 CO 0.19 0.51 1.48 -0.85 -0.10 0.00 0.00 175.22 176.44 1p5e n GLU 81 N 0.02 2.43 -2.68 0.44 0.28 -0.66 -0.81 120.64 119.65 1p5e n GLU 81 Ca -0.10 0.86 -0.42 0.00 -0.16 0.00 0.00 57.16 57.34 1p5e n GLU 81 Cb 0.55 -2.57 -0.03 0.00 1.43 0.00 0.00 31.44 30.82 1p5e n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1p5e s PHE 82 N -0.40 3.64 0.15 -1.84 5.36 -1.21 -4.42 117.98 119.25 1p5e s PHE 82 Ca 0.62 1.66 0.11 0.00 -0.96 0.00 0.00 56.93 58.35 1p5e s PHE 82 Cb -0.54 -3.15 -0.04 0.00 -0.34 0.00 0.00 43.02 38.95 1p5e s PHE 82 CO 0.54 -0.13 -0.25 -0.51 -1.46 0.00 0.00 175.22 173.41 1p5e s LEU 83 N 1.04 2.36 -0.03 6.12 1.43 -1.26 -4.98 118.68 123.35 1p5e s LEU 83 Ca 0.53 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1p5e s LEU 83 Cb -0.22 -1.14 -0.30 0.00 0.03 0.00 0.00 46.19 44.56 1p5e s LEU 83 CO 0.28 0.13 0.73 0.45 0.23 0.00 0.00 176.35 178.17 1p5e h HIS 84 N 3.66 0.64 -3.14 0.29 3.86 -1.55 -3.48 115.15 115.43 1p5e h HIS 84 Ca -0.48 -0.47 0.02 0.00 -1.16 0.00 0.00 60.37 58.27 1p5e h HIS 84 Cb 1.18 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 1p5e h HIS 84 CO 0.63 1.58 0.17 1.14 0.86 0.00 0.00 177.93 182.32 1p5e s GLN 85 N -2.59 1.87 0.29 2.45 -2.07 -1.07 -5.02 119.66 113.52 1p5e s GLN 85 Ca -0.14 -1.17 0.05 0.00 -1.82 0.00 0.00 55.36 52.28 1p5e s GLN 85 Cb 0.06 0.59 -0.02 0.00 -1.09 0.00 0.00 33.01 32.54 1p5e s GLN 85 CO 0.86 -0.85 0.44 0.16 -1.32 0.00 0.00 175.29 174.58 1p5e s ASP 86 N -2.98 6.18 0.36 12.60 1.47 -1.26 -0.23 116.67 132.81 1p5e s ASP 86 Ca 0.15 0.05 0.09 0.00 1.18 0.00 0.00 52.55 54.02 1p5e s ASP 86 Cb -0.05 -1.67 0.70 0.00 -0.34 0.00 0.00 42.92 41.56 1p5e s ASP 86 CO 0.09 -0.25 1.86 0.25 0.68 0.00 0.00 175.17 177.81 1p5e h LEU 87 N 0.99 0.24 -0.25 2.11 5.85 -0.27 -2.53 115.31 121.44 1p5e h LEU 87 Ca -0.49 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1p5e h LEU 87 Cb 1.24 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1p5e h LEU 87 CO 0.58 0.45 0.14 0.50 -0.34 0.00 0.00 178.44 179.77 1p5e h LYS 88 N 0.23 0.35 -0.95 1.25 3.64 -1.84 -0.67 116.57 118.59 1p5e h LYS 88 Ca 0.04 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1p5e h LYS 88 Cb 0.48 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 1p5e h LYS 88 CO 0.03 0.32 0.58 0.87 -2.27 0.00 0.00 179.45 178.98 1p5e h LYS 89 N 0.30 1.29 -0.49 1.90 1.57 -1.83 -1.76 116.57 117.55 1p5e h LYS 89 Ca 0.09 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1p5e h LYS 89 Cb 0.07 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1p5e h LYS 89 CO -0.01 0.90 -0.11 0.35 -0.57 0.00 0.00 179.45 180.01 1p5e h PHE 90 N 1.31 1.01 -0.54 -1.35 3.57 -1.18 -0.41 116.94 119.36 1p5e h PHE 90 Ca 0.34 -0.20 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1p5e h PHE 90 Cb -0.06 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 1p5e h PHE 90 CO 0.01 0.96 0.02 0.52 -2.23 0.00 0.00 178.31 177.58 1p5e h MET 91 N 0.81 0.93 -0.19 1.11 2.86 -0.82 -1.01 114.93 118.63 1p5e h MET 91 Ca 0.13 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1p5e h MET 91 Cb 0.64 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1p5e h MET 91 CO 0.04 0.94 -0.00 -0.44 1.06 0.00 0.00 176.91 178.51 1p5e h ASP 92 N 0.81 -0.08 0.05 1.22 3.32 -1.09 -1.92 116.42 118.73 1p5e h ASP 92 Ca 0.15 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1p5e h ASP 92 Cb 0.51 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1p5e h ASP 92 CO 0.02 -0.02 -0.02 0.00 -1.72 0.00 0.00 179.24 177.51 1p5e h ALA 93 N 1.16 1.46 -0.54 3.45 0.00 -0.88 -0.80 119.26 123.11 1p5e h ALA 93 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p5e h ALA 93 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1p5e h ALA 93 CO -0.15 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.55 1p5e n SER 94 N -3.77 4.21 0.28 0.00 7.64 -0.40 -4.47 113.62 117.11 1p5e n SER 94 Ca -0.03 -2.42 0.17 0.00 1.01 0.00 0.00 58.87 57.60 1p5e n SER 94 Cb 0.10 -0.55 0.94 0.00 -1.01 0.00 0.00 64.21 63.70 1p5e n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p5e h ALA 95 N 3.89 1.50 -3.00 -0.43 0.00 -0.64 -3.32 119.26 117.27 1p5e h ALA 95 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p5e h ALA 95 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1p5e h ALA 95 CO 0.22 -0.08 0.00 -0.11 0.00 0.00 0.00 179.25 179.28 1p5e n LEU 96 N -3.68 0.00 -4.94 0.00 0.00 -1.26 -4.82 117.00 102.30 1p5e n LEU 96 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.75 1p5e n LEU 96 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.59 1p5e n LEU 96 CO 0.26 0.00 0.41 0.28 0.00 0.00 0.00 177.39 178.33 1p5e s THR 97 N 0.00 3.66 0.00 1.96 -1.32 -1.25 -5.11 115.64 113.58 1p5e s THR 97 Ca 0.00 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1p5e s THR 97 Cb 0.00 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1p5e s THR 97 CO 0.00 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 1p5e n GLY 98 N -2.34 -2.47 3.72 6.08 0.00 -1.25 -4.68 105.19 104.24 1p5e n GLY 98 Ca 0.04 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 1p5e n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p5e s ILE 99 N -0.66 5.12 0.18 -0.61 1.01 -1.26 -4.93 121.20 120.04 1p5e s ILE 99 Ca 0.00 1.18 -0.33 0.00 0.00 0.00 0.00 60.65 61.51 1p5e s ILE 99 Cb 0.00 -3.92 -0.15 0.00 0.01 0.00 0.00 42.46 38.39 1p5e s ILE 99 CO 0.00 0.29 1.20 -2.65 0.00 0.00 0.00 174.94 173.78 1p5e n PRO 100 N 3.76 1.29 -0.31 2.79 -0.02 -1.26 -4.74 135.00 136.51 1p5e n PRO 100 Ca -0.04 0.46 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 1p5e n PRO 100 Cb 0.51 -1.98 0.19 0.00 -0.02 0.00 0.00 33.50 32.21 1p5e n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1p5e h LEU 101 N 3.49 0.70 -1.56 2.45 7.12 -1.99 0.04 115.31 125.56 1p5e h LEU 101 Ca -0.43 0.05 0.16 0.00 0.13 0.00 0.00 57.88 57.79 1p5e h LEU 101 Cb 1.33 -0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 41.33 1p5e h LEU 101 CO 0.71 0.38 0.53 -0.65 -0.13 0.00 0.00 178.44 179.28 1p5e h PRO 102 N 0.81 0.40 0.07 5.25 0.11 -1.98 -0.43 132.00 136.23 1p5e h PRO 102 Ca 0.43 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 66.28 1p5e h PRO 102 Cb 0.44 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.48 1p5e h PRO 102 CO -0.27 0.27 -0.95 1.25 -0.21 0.00 0.00 178.00 178.09 1p5e h LEU 103 N 0.41 0.72 -0.60 2.35 5.85 -1.36 -1.09 115.31 121.59 1p5e h LEU 103 Ca 0.39 -0.81 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1p5e h LEU 103 Cb 0.92 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1p5e h LEU 103 CO -0.13 1.45 0.35 0.40 -0.34 0.00 0.00 178.44 180.17 1p5e h ILE 104 N 0.08 1.02 -0.45 4.05 2.04 -0.90 0.87 117.51 124.22 1p5e h ILE 104 Ca -0.14 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1p5e h ILE 104 Cb 1.66 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1p5e h ILE 104 CO 0.18 0.12 0.08 0.50 0.00 0.00 0.00 178.15 179.04 1p5e h LYS 105 N 0.67 0.73 -0.63 2.37 3.64 -1.10 0.29 116.57 122.54 1p5e h LYS 105 Ca 0.26 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1p5e h LYS 105 Cb 0.09 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1p5e h LYS 105 CO -0.14 0.75 0.34 1.03 -2.27 0.00 0.00 179.45 179.16 1p5e h SER 106 N 0.60 0.80 -0.16 4.20 0.87 -0.91 -1.25 113.55 117.70 1p5e h SER 106 Ca 0.14 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1p5e h SER 106 Cb 0.37 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1p5e h SER 106 CO 0.01 0.67 -0.15 1.88 -0.53 0.00 0.00 176.83 178.71 1p5e h TYR 107 N 0.86 0.45 -0.46 2.24 0.05 -0.65 -1.52 116.97 117.94 1p5e h TYR 107 Ca 0.22 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.88 1p5e h TYR 107 Cb 0.06 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1p5e h TYR 107 CO -0.01 0.76 0.29 1.25 -1.05 0.00 0.00 178.16 179.40 1p5e h LEU 108 N 0.01 0.48 -0.32 3.88 5.85 -0.87 0.10 115.31 124.45 1p5e h LEU 108 Ca 0.03 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1p5e h LEU 108 Cb 0.68 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1p5e h LEU 108 CO 0.04 0.34 0.19 0.15 -0.34 0.00 0.00 178.44 178.82 1p5e h PHE 109 N 0.58 0.35 -0.49 1.25 3.57 -1.19 -0.14 116.94 120.87 1p5e h PHE 109 Ca 0.18 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1p5e h PHE 109 Cb -0.02 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1p5e h PHE 109 CO -0.06 0.21 0.11 1.96 -2.23 0.00 0.00 178.31 178.30 1p5e h GLN 110 N 0.39 0.79 -0.57 1.11 4.20 -1.07 -1.37 115.11 118.59 1p5e h GLN 110 Ca 0.12 -0.20 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1p5e h GLN 110 Cb -0.01 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1p5e h GLN 110 CO -0.05 0.77 0.31 -0.07 -0.67 0.00 0.00 178.83 179.12 1p5e h LEU 111 N 0.67 0.47 -1.22 1.46 3.38 -0.54 -1.57 115.31 117.96 1p5e h LEU 111 Ca 0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1p5e h LEU 111 Cb 0.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1p5e h LEU 111 CO 0.00 0.32 0.08 -0.07 0.09 0.00 0.00 178.44 178.86 1p5e h LEU 112 N 0.60 0.57 -0.26 1.67 3.38 -0.82 -0.40 115.31 120.05 1p5e h LEU 112 Ca 0.24 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1p5e h LEU 112 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1p5e h LEU 112 CO -0.15 0.59 0.00 1.56 0.09 0.00 0.00 178.44 180.53 1p5e h GLN 113 N 0.60 0.45 -0.59 1.13 4.20 -0.80 -0.65 115.11 119.45 1p5e h GLN 113 Ca 0.13 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1p5e h GLN 113 Cb 0.26 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1p5e h GLN 113 CO 0.00 0.62 0.26 0.78 -0.67 0.00 0.00 178.83 179.81 1p5e h GLY 114 N 0.23 0.94 0.88 3.46 0.00 -0.95 -1.79 103.07 105.84 1p5e h GLY 114 Ca 0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1p5e h GLY 114 CO 0.01 0.47 -0.16 -2.00 0.00 0.00 0.00 176.54 174.86 1p5e h LEU 115 N 0.81 0.59 -1.13 3.11 5.85 -0.97 -0.86 115.31 122.72 1p5e h LEU 115 Ca 0.20 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1p5e h LEU 115 Cb 0.17 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1p5e h LEU 115 CO -0.02 0.89 0.59 0.00 -0.34 0.00 0.00 178.44 179.56 1p5e h ALA 116 N 0.72 1.44 -0.18 1.25 0.00 -1.06 0.65 119.26 122.08 1p5e h ALA 116 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1p5e h ALA 116 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1p5e h ALA 116 CO 0.04 0.46 0.07 0.35 0.00 0.00 0.00 179.25 180.17 1p5e h PHE 117 N 1.11 0.29 -0.25 0.00 3.57 -0.99 0.03 116.94 120.70 1p5e h PHE 117 Ca 0.37 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.90 1p5e h PHE 117 Cb 0.06 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 1p5e h PHE 117 CO -0.00 0.36 -0.18 0.00 -2.23 0.00 0.00 178.31 176.25 1p5e h HIS 119 N -0.17 0.72 0.00 0.00 3.86 -0.79 -0.28 115.15 118.48 1p5e h HIS 119 Ca 0.14 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1p5e h HIS 119 Cb 0.39 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1p5e h HIS 119 CO -0.35 0.77 0.00 0.77 0.86 0.00 0.00 177.93 179.97 1p5e h SER 120 N 0.59 0.00 -0.53 2.45 0.02 -0.77 -2.34 113.55 112.97 1p5e h SER 120 Ca 0.10 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.75 1p5e h SER 120 Cb 0.60 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.96 1p5e h SER 120 CO 0.04 0.00 0.01 1.41 -1.14 0.00 0.00 176.83 177.15 1p5e n HIS 121 N -2.83 1.68 -4.23 3.45 8.25 -0.51 -4.95 115.22 116.07 1p5e n HIS 121 Ca -0.01 -1.83 -0.36 0.00 -0.26 0.00 0.00 57.72 55.27 1p5e n HIS 121 Cb 0.18 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 1p5e n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1p5e n ARG 122 N -1.07 -3.00 -4.86 -0.41 -4.01 -0.88 -4.94 116.66 97.48 1p5e n ARG 122 Ca 0.40 0.36 -0.32 0.00 -1.04 0.00 0.00 57.85 57.24 1p5e n ARG 122 Cb 1.08 -5.01 -0.17 0.00 -3.04 0.00 0.00 32.46 25.32 1p5e n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1p5e s VAL 123 N -3.35 2.14 -0.12 8.89 1.01 -0.23 -0.84 120.40 127.90 1p5e s VAL 123 Ca 0.68 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1p5e s VAL 123 Cb -0.37 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1p5e s VAL 123 CO 0.93 0.55 0.30 -0.76 0.00 0.00 0.00 175.10 176.12 1p5e s LEU 124 N 0.63 4.32 -0.09 3.92 1.43 -0.54 -3.54 118.68 124.81 1p5e s LEU 124 Ca -0.11 0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 1p5e s LEU 124 Cb -0.16 -2.38 -0.12 0.00 0.03 0.00 0.00 46.19 43.56 1p5e s LEU 124 CO 0.02 0.20 0.51 -0.74 0.23 0.00 0.00 176.35 176.57 1p5e h HIS 125 N 5.94 -0.10 -0.04 0.29 -0.00 -1.91 -2.06 115.15 117.26 1p5e h HIS 125 Ca -0.46 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.89 1p5e h HIS 125 Cb 1.19 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 1p5e h HIS 125 CO 0.65 0.30 -0.02 0.54 -0.00 0.00 0.00 177.93 179.40 1p5e n ARG 126 N -4.81 -0.37 -2.69 5.26 1.74 -1.26 -2.79 116.66 111.74 1p5e n ARG 126 Ca -0.05 0.22 -0.05 0.00 -0.77 0.00 0.00 57.85 57.20 1p5e n ARG 126 Cb 0.22 -3.60 0.12 0.00 -1.02 0.00 0.00 32.46 28.17 1p5e n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1p5e n ASP 127 N 0.15 -1.45 -4.59 0.55 2.03 -1.26 -2.66 116.55 109.31 1p5e n ASP 127 Ca -0.01 -2.36 -0.43 0.00 0.52 0.00 0.00 54.79 52.52 1p5e n ASP 127 Cb 0.11 0.76 -0.02 0.00 -0.72 0.00 0.00 41.12 41.24 1p5e n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p5e s LEU 128 N -3.60 3.54 0.07 -2.67 1.43 -1.26 -4.80 118.68 111.39 1p5e s LEU 128 Ca 0.17 0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 53.89 1p5e s LEU 128 Cb 0.42 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 43.22 1p5e s LEU 128 CO -0.10 -1.52 0.21 -1.59 0.23 0.00 0.00 176.35 173.58 1p5e s LYS 129 N 5.12 0.79 0.46 1.70 -2.85 -1.26 -4.77 119.74 118.93 1p5e s LYS 129 Ca 0.60 -0.79 0.21 0.00 -1.00 0.00 0.00 55.97 54.99 1p5e s LYS 129 Cb -0.13 0.33 1.20 0.00 -2.06 0.00 0.00 37.83 37.16 1p5e s LYS 129 CO 0.31 -0.25 1.91 -1.35 0.10 0.00 0.00 175.35 176.07 1p5e h PRO 130 N 3.04 0.26 0.00 1.78 0.11 -1.94 0.16 132.00 135.41 1p5e h PRO 130 Ca -0.33 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1p5e h PRO 130 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p5e h PRO 130 CO 0.52 0.17 -0.06 1.96 -0.21 0.00 0.00 178.00 180.38 1p5e h GLN 131 N 0.27 0.00 -0.66 1.05 7.50 -1.94 -2.09 115.11 119.24 1p5e h GLN 131 Ca 0.39 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.54 1p5e h GLN 131 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.66 1p5e h GLN 131 CO -0.10 0.06 0.00 0.09 -1.50 0.00 0.00 178.83 177.38 1p5e n ASN 132 N -3.32 4.72 -4.16 1.46 3.02 0.04 -4.80 115.26 112.22 1p5e n ASN 132 Ca -0.01 -2.42 -0.34 0.00 -0.03 0.00 0.00 54.58 51.79 1p5e n ASN 132 Cb 0.23 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.67 1p5e n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p5e s LEU 133 N -1.78 2.79 -0.10 3.41 1.43 -0.99 -0.62 118.68 122.82 1p5e s LEU 133 Ca 0.51 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1p5e s LEU 133 Cb 0.33 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1p5e s LEU 133 CO 0.25 -0.08 -0.02 -0.76 0.23 0.00 0.00 176.35 175.98 1p5e s LEU 134 N 1.30 3.45 0.15 1.79 1.43 0.12 -0.75 118.68 126.15 1p5e s LEU 134 Ca 0.01 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 1p5e s LEU 134 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1p5e s LEU 134 CO -0.08 0.33 -0.16 0.27 0.23 0.00 0.00 176.35 176.94 1p5e s ILE 135 N -0.58 2.92 0.45 -0.59 -4.36 0.68 -0.32 121.20 119.40 1p5e s ILE 135 Ca 0.09 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1p5e s ILE 135 Cb -0.12 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.21 1p5e s ILE 135 CO 0.02 0.01 0.04 -0.46 0.24 0.00 0.00 174.94 174.79 1p5e n ASN 136 N 0.48 3.14 0.05 4.36 0.23 -1.04 -1.25 115.26 121.23 1p5e n ASN 136 Ca -0.14 -2.90 0.13 0.00 -0.53 0.00 0.00 54.58 51.14 1p5e n ASN 136 Cb 0.54 0.27 0.51 0.00 -2.08 0.00 0.00 39.78 39.01 1p5e n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1p5e n THR 137 N -1.16 0.35 1.37 5.53 -2.24 -1.26 -3.37 114.28 113.50 1p5e n THR 137 Ca -0.16 -0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1p5e n THR 137 Cb 0.56 -0.61 0.42 0.00 -2.10 0.00 0.00 70.33 68.60 1p5e n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p5e n GLU 138 N -1.84 1.65 0.00 -0.78 -0.58 -1.26 -4.33 120.64 113.50 1p5e n GLU 138 Ca 0.06 -1.06 0.00 0.00 -0.42 0.00 0.00 57.16 55.74 1p5e n GLU 138 Cb 0.36 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1p5e n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p5e n GLY 139 N 1.23 0.49 3.79 0.62 0.00 -1.22 -4.35 105.19 105.76 1p5e n GLY 139 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1p5e n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p5e s ALA 140 N -2.00 2.89 0.00 4.61 0.00 -1.26 -4.84 121.76 121.17 1p5e s ALA 140 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1p5e s ALA 140 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1p5e s ALA 140 CO 0.00 -0.37 -0.12 -1.50 0.00 0.00 0.00 175.76 173.77 1p5e s ILE 141 N -1.87 0.96 -0.00 0.00 2.07 -1.26 -2.50 121.20 118.59 1p5e s ILE 141 Ca 0.66 -0.64 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1p5e s ILE 141 Cb -0.19 -0.82 -0.00 0.00 0.13 0.00 0.00 42.46 41.57 1p5e s ILE 141 CO 0.23 0.18 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.86 1p5e s LYS 142 N -0.53 0.30 0.18 3.50 1.02 0.56 -4.60 119.74 120.16 1p5e s LYS 142 Ca 0.03 -0.13 -0.31 0.00 0.02 0.00 0.00 55.97 55.59 1p5e s LYS 142 Cb -0.06 -0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 36.87 1p5e s LYS 142 CO 0.00 0.07 1.41 -0.51 -0.92 0.00 0.00 175.35 175.40 1p5e s LEU 143 N -0.06 4.39 0.32 3.17 1.43 0.01 -0.70 118.68 127.23 1p5e s LEU 143 Ca 0.01 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.61 1p5e s LEU 143 Cb -0.02 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1p5e s LEU 143 CO -0.00 -0.66 0.14 0.00 0.23 0.00 0.00 176.35 176.07 1p5e s ALA 144 N 0.59 2.14 -0.33 4.21 0.00 0.21 -1.19 121.76 127.40 1p5e s ALA 144 Ca 0.62 -1.71 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 1p5e s ALA 144 Cb -0.39 1.04 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1p5e s ALA 144 CO 0.35 -0.46 0.21 -3.47 0.00 0.00 0.00 175.76 172.39 1p5e n ASP 145 N -0.95 -7.63 -1.47 0.00 -0.08 -1.26 -4.79 116.55 100.37 1p5e n ASP 145 Ca -0.00 1.03 0.08 0.00 -1.51 0.00 0.00 54.79 54.39 1p5e n ASP 145 Cb 0.65 -5.09 0.34 0.00 2.34 0.00 0.00 41.12 39.36 1p5e n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1p5e n PHE 146 N 0.30 1.51 0.02 -0.67 3.01 -1.26 -4.50 117.46 115.87 1p5e n PHE 146 Ca 0.04 -0.71 0.05 0.00 1.01 0.00 0.00 57.45 57.84 1p5e n PHE 146 Cb 0.16 -0.35 0.46 0.00 -0.01 0.00 0.00 39.48 39.74 1p5e n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1p5e h GLY 147 N 3.38 0.51 -1.35 1.37 0.00 -1.92 -2.54 103.07 102.52 1p5e h GLY 147 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1p5e h GLY 147 CO 0.31 0.17 0.00 1.04 0.00 0.00 0.00 176.54 178.07 1p5e n LEU 148 N -4.48 2.40 -4.78 3.11 4.32 -1.26 -4.59 117.00 111.72 1p5e n LEU 148 Ca 0.03 -0.84 -0.29 0.00 -0.02 0.00 0.00 56.01 54.88 1p5e n LEU 148 Cb 0.10 -0.03 0.12 0.00 -1.62 0.00 0.00 43.42 41.98 1p5e n LEU 148 CO 0.35 0.42 0.70 0.00 -1.22 0.00 0.00 177.39 177.64 1p5e s ALA 149 N -1.93 1.91 0.01 -1.18 0.00 -0.95 -4.66 121.76 114.96 1p5e s ALA 149 Ca 0.33 -0.30 -0.23 0.00 0.00 0.00 0.00 51.96 51.76 1p5e s ALA 149 Cb 0.20 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.28 1p5e s ALA 149 CO 0.31 -2.07 0.51 -0.98 0.00 0.00 0.00 175.76 173.54 1p5e s ARG 150 N -5.15 0.96 -0.15 0.00 1.70 -0.78 -4.91 118.95 110.62 1p5e s ARG 150 Ca 0.62 -0.10 -0.29 0.00 -0.47 0.00 0.00 55.73 55.49 1p5e s ARG 150 Cb -0.15 0.44 -0.00 0.00 -0.57 0.00 0.00 34.95 34.66 1p5e s ARG 150 CO 0.55 -0.32 1.02 0.00 -1.08 0.00 0.00 175.30 175.47 1p5e s ALA 151 N -1.88 3.50 0.30 7.88 0.00 -1.26 -1.47 121.76 128.83 1p5e s ALA 151 Ca -0.09 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1p5e s ALA 151 Cb -0.01 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1p5e s ALA 151 CO 0.03 -0.76 0.43 -0.59 0.00 0.00 0.00 175.76 174.87 1p5e s PHE 152 N 2.42 3.23 0.37 0.00 -0.71 -0.02 -4.99 117.98 118.29 1p5e s PHE 152 Ca 0.47 -0.15 0.08 0.00 -1.04 0.00 0.00 56.93 56.29 1p5e s PHE 152 Cb -0.17 -1.84 -0.02 0.00 -1.21 0.00 0.00 43.02 39.77 1p5e s PHE 152 CO 0.14 0.15 0.33 0.20 -1.34 0.00 0.00 175.22 174.70 1p5e s GLY 153 N -4.10 1.95 -0.18 1.99 0.00 -1.26 -4.87 107.32 100.85 1p5e s GLY 153 Ca 0.41 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 43.37 1p5e s GLY 153 CO 0.30 -1.64 -0.18 0.14 0.00 0.00 0.00 173.10 171.72 1p5e s VAL 154 N -2.39 1.96 0.86 1.40 1.01 -1.26 -2.02 120.40 119.96 1p5e s VAL 154 Ca 0.44 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1p5e s VAL 154 Cb -0.04 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.65 1p5e s VAL 154 CO 0.27 0.51 1.10 -2.16 0.00 0.00 0.00 175.10 174.81 1p5e s PRO 155 N 1.33 1.59 0.70 2.72 0.04 -1.26 -5.11 135.00 135.01 1p5e s PRO 155 Ca 0.05 0.65 -0.13 0.00 0.04 0.00 0.00 61.00 61.60 1p5e s PRO 155 Cb -0.13 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1p5e s PRO 155 CO -0.12 -1.97 1.10 0.14 0.04 0.00 0.00 177.00 176.19 1p5e s VAL 156 N -3.08 3.31 0.32 -0.36 -7.23 -0.86 -5.08 120.40 107.42 1p5e s VAL 156 Ca 0.62 0.54 0.03 0.00 -1.81 0.00 0.00 61.98 61.36 1p5e s VAL 156 Cb -0.16 -3.05 0.03 0.00 0.56 0.00 0.00 36.38 33.75 1p5e s VAL 156 CO 0.55 -0.44 0.21 -2.11 -0.31 0.00 0.00 175.10 173.00 1p5e n ARG 157 N -2.80 1.04 -2.12 4.82 1.85 -1.26 -5.02 116.66 113.18 1p5e n ARG 157 Ca 0.10 -2.03 -0.42 0.00 -1.00 0.00 0.00 57.85 54.50 1p5e n ARG 157 Cb 0.52 0.26 -0.03 0.00 -1.05 0.00 0.00 32.46 32.16 1p5e n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1p5e s THR 158 N -1.64 3.19 0.08 8.89 2.01 -1.26 -4.71 115.64 122.20 1p5e s THR 158 Ca 0.16 0.83 0.00 0.00 0.31 0.00 0.00 61.69 63.00 1p5e s THR 158 Cb -0.01 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1p5e s THR 158 CO 0.10 0.06 0.00 -1.22 -0.69 0.00 0.00 174.62 172.87 1p5e n TYR 159 N 4.12 -0.05 -4.26 4.92 4.01 -1.26 -5.11 117.16 119.53 1p5e n TYR 159 Ca 0.12 0.01 -0.14 0.00 -0.16 0.00 0.00 57.90 57.73 1p5e n TYR 159 Cb 0.42 0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.36 1p5e n TYR 159 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1p5e s HIS 161 N -1.78 1.28 -1.80 -0.72 -3.43 -1.26 -5.07 115.29 102.52 1p5e s HIS 161 Ca 0.00 -1.05 0.00 0.00 -0.80 0.00 0.00 55.06 53.21 1p5e s HIS 161 Cb 0.00 -0.74 0.00 0.00 -1.43 0.00 0.00 32.58 30.41 1p5e s HIS 161 CO 0.00 -0.23 0.00 0.39 -2.00 0.00 0.00 174.74 172.90 1p5e n GLU 162 N -0.29 -1.67 -1.59 -0.38 1.02 -1.26 -4.96 120.64 111.51 1p5e n GLU 162 Ca -0.05 1.01 -0.30 0.00 -0.02 0.00 0.00 57.16 57.80 1p5e n GLU 162 Cb 0.64 -5.59 0.07 0.00 -0.02 0.00 0.00 31.44 26.54 1p5e n GLU 162 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1p5e s VAL 163 N -2.89 3.54 0.00 2.62 -7.23 -1.26 -4.89 120.40 110.28 1p5e s VAL 163 Ca 0.00 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 1p5e s VAL 163 Cb 0.00 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.67 1p5e s VAL 163 CO 0.00 -0.65 0.00 0.52 -0.31 0.00 0.00 175.10 174.66 1p5e n VAL 164 N -3.26 -0.99 -1.60 1.32 0.31 -1.09 -4.85 118.33 108.18 1p5e n VAL 164 Ca 0.07 0.00 -0.52 0.00 -0.01 0.00 0.00 64.34 63.88 1p5e n VAL 164 Cb 0.55 -0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 32.43 1p5e n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1p5e n THR 165 N 0.21 0.00 -0.29 2.52 -1.04 -1.26 -4.63 114.28 109.79 1p5e n THR 165 Ca 0.00 -0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1p5e n THR 165 Cb 0.00 -0.87 0.22 0.00 -1.82 0.00 0.00 70.33 67.86 1p5e n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1p5e h LEU 166 N 4.67 -0.36 -2.47 -4.42 5.85 -1.94 0.09 115.31 116.72 1p5e h LEU 166 Ca -0.48 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1p5e h LEU 166 Cb 1.33 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 1p5e h LEU 166 CO 0.79 -0.23 -0.01 -0.50 -0.34 0.00 0.00 178.44 178.14 1p5e h TRP 167 N 0.09 0.00 -0.27 1.25 6.55 -1.85 -2.02 115.95 119.68 1p5e h TRP 167 Ca 0.49 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.33 1p5e h TRP 167 Cb 0.93 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.23 1p5e h TRP 167 CO -0.44 0.01 0.00 0.66 -1.05 0.00 0.00 178.44 177.62 1p5e n TYR 168 N -3.77 0.36 -2.73 0.49 4.01 -0.00 -4.52 117.16 111.00 1p5e n TYR 168 Ca -0.03 -0.37 -0.41 0.00 -0.16 0.00 0.00 57.90 56.93 1p5e n TYR 168 Cb 0.09 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 1p5e n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1p5e s ARG 169 N -0.99 4.71 0.46 -0.72 3.52 -0.76 -3.87 118.95 121.29 1p5e s ARG 169 Ca 0.22 1.46 -0.21 0.00 -0.13 0.00 0.00 55.73 57.06 1p5e s ARG 169 Cb 0.12 -3.37 -0.09 0.00 -1.56 0.00 0.00 34.95 30.05 1p5e s ARG 169 CO 0.16 0.24 1.01 0.00 -0.81 0.00 0.00 175.30 175.89 1p5e s ALA 170 N -0.09 2.95 0.37 6.12 0.00 -1.26 -4.90 121.76 124.95 1p5e s ALA 170 Ca 0.46 0.54 0.08 0.00 0.00 0.00 0.00 51.96 53.05 1p5e s ALA 170 Cb -0.24 -3.22 0.80 0.00 0.00 0.00 0.00 23.12 20.46 1p5e s ALA 170 CO 0.30 -0.15 1.92 -1.00 0.00 0.00 0.00 175.76 176.84 1p5e h PRO 171 N 1.77 0.68 -0.09 0.00 0.13 -1.96 -1.27 132.00 131.26 1p5e h PRO 171 Ca -0.49 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 1p5e h PRO 171 Cb 1.21 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1p5e h PRO 171 CO 0.60 0.45 -0.20 1.05 -0.23 0.00 0.00 178.00 179.67 1p5e h GLU 172 N 0.70 0.14 -0.03 0.86 9.09 -1.93 0.18 114.58 123.59 1p5e h GLU 172 Ca 0.36 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.72 1p5e h GLU 172 Cb 0.47 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.55 1p5e h GLU 172 CO -0.14 0.35 -0.03 0.82 0.05 0.00 0.00 179.01 180.06 1p5e h ILE 173 N 0.13 1.38 -0.55 -1.06 1.08 -1.62 -1.72 117.51 115.15 1p5e h ILE 173 Ca 0.02 -1.17 0.08 0.00 -0.39 0.00 0.00 64.86 63.41 1p5e h ILE 173 Cb 0.44 2.09 -0.03 0.00 -3.07 0.00 0.00 36.82 36.25 1p5e h ILE 173 CO 0.03 0.31 0.37 -0.07 -0.69 0.00 0.00 178.15 178.10 1p5e h LEU 174 N -0.37 0.35 -1.92 1.44 3.38 -0.78 -1.07 115.31 116.34 1p5e h LEU 174 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1p5e h LEU 174 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1p5e h LEU 174 CO 0.01 0.22 0.00 0.18 0.09 0.00 0.00 178.44 178.94 1p5e n LEU 175 N -4.47 2.80 -1.44 1.67 4.77 0.59 -4.89 117.00 116.02 1p5e n LEU 175 Ca 0.08 -1.39 -0.13 0.00 -0.03 0.00 0.00 56.01 54.54 1p5e n LEU 175 Cb 0.33 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1p5e n LEU 175 CO 0.34 0.70 -0.16 0.61 -1.33 0.00 0.00 177.39 177.55 1p5e n GLY 176 N 1.33 0.10 3.68 -0.72 0.00 -0.40 -1.99 105.19 107.20 1p5e n GLY 176 Ca 0.18 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1p5e n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p5e h LYS 178 N 2.13 1.06 -5.74 0.00 3.64 -1.93 -3.43 116.57 112.30 1p5e h LYS 178 Ca -0.47 -0.06 -0.66 0.00 -1.27 0.00 0.00 60.65 58.19 1p5e h LYS 178 Cb 1.30 -0.24 -0.32 0.00 -0.41 0.00 0.00 32.23 32.56 1p5e h LYS 178 CO 0.60 0.70 -0.87 0.71 -2.27 0.00 0.00 179.45 178.32 1p5e s TYR 179 N -6.05 2.28 0.05 1.91 2.02 -1.26 -4.13 117.35 112.16 1p5e s TYR 179 Ca -0.13 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 55.88 1p5e s TYR 179 Cb 0.19 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1p5e s TYR 179 CO 0.80 -0.24 -0.06 1.52 -1.57 0.00 0.00 175.55 176.00 1p5e s TYR 180 N -0.03 0.61 0.00 2.71 -0.85 -1.26 -4.99 117.35 113.53 1p5e s TYR 180 Ca -0.06 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1p5e s TYR 180 Cb -0.14 -0.37 0.00 0.00 0.38 0.00 0.00 41.96 41.83 1p5e s TYR 180 CO 0.04 -0.13 0.00 0.45 -1.52 0.00 0.00 175.55 174.39 1p5e n SER 181 N 1.20 0.01 0.19 -0.18 2.88 -1.26 -4.94 113.62 111.52 1p5e n SER 181 Ca -0.21 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.43 1p5e n SER 181 Cb 0.56 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.66 1p5e n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1p5e h THR 182 N 0.00 0.96 0.00 2.46 1.35 -1.98 -2.19 112.91 113.51 1p5e h THR 182 Ca 0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1p5e h THR 182 Cb 0.00 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1p5e h THR 182 CO 0.00 0.01 -0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1p5e h ALA 183 N 1.93 1.23 -0.27 6.62 0.00 -1.93 -1.60 119.26 125.25 1p5e h ALA 183 Ca 0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1p5e h ALA 183 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1p5e h ALA 183 CO -0.00 0.00 -0.08 -0.39 0.00 0.00 0.00 179.25 178.78 1p5e h VAL 184 N 0.00 1.21 -0.07 0.00 -1.51 -1.80 -1.97 116.25 112.11 1p5e h VAL 184 Ca -0.00 -0.87 -0.20 0.00 -1.23 0.00 0.00 66.70 64.40 1p5e h VAL 184 Cb 0.01 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.26 1p5e h VAL 184 CO 0.00 0.29 -0.79 0.44 -1.23 0.00 0.00 177.57 176.27 1p5e h ASP 185 N 0.41 0.55 -0.86 4.19 3.32 -1.50 -2.62 116.42 119.91 1p5e h ASP 185 Ca 0.08 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1p5e h ASP 185 Cb 0.40 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1p5e h ASP 185 CO 0.02 1.14 0.43 0.40 -1.72 0.00 0.00 179.24 179.51 1p5e h ILE 186 N 0.29 1.26 -0.13 0.35 1.08 -1.48 -1.13 117.51 117.75 1p5e h ILE 186 Ca -0.05 -0.71 0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1p5e h ILE 186 Cb 1.39 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1p5e h ILE 186 CO 0.14 0.31 0.06 -0.25 -0.69 0.00 0.00 178.15 177.72 1p5e h TRP 187 N 1.22 0.11 -0.38 1.37 2.91 -1.20 0.60 115.95 120.58 1p5e h TRP 187 Ca 0.30 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.38 1p5e h TRP 187 Cb 0.10 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 28.66 1p5e h TRP 187 CO 0.01 0.06 0.05 0.77 -1.03 0.00 0.00 178.44 178.31 1p5e h SER 188 N 0.13 -0.04 -0.01 2.65 0.02 -1.19 -1.24 113.55 113.87 1p5e h SER 188 Ca 0.05 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1p5e h SER 188 Cb 0.01 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1p5e h SER 188 CO -0.04 0.01 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.51 1p5e h LEU 189 N 0.17 0.20 -0.38 5.07 3.38 -0.76 -0.84 115.31 122.14 1p5e h LEU 189 Ca 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1p5e h LEU 189 Cb 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1p5e h LEU 189 CO -0.26 0.31 0.21 1.23 0.09 0.00 0.00 178.44 180.02 1p5e h GLY 190 N 0.61 0.57 1.25 0.83 0.00 0.14 0.11 103.07 106.59 1p5e h GLY 190 Ca 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1p5e h GLY 190 CO 0.01 0.24 0.28 0.00 0.00 0.00 0.00 176.54 177.08 1p5e h ILE 192 N 0.95 1.27 0.59 0.00 2.04 -0.85 -1.20 117.51 120.31 1p5e h ILE 192 Ca 0.23 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 1p5e h ILE 192 Cb 0.16 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1p5e h ILE 192 CO -0.02 0.46 -0.30 0.15 0.00 0.00 0.00 178.15 178.43 1p5e h PHE 193 N 0.66 -0.79 -0.56 1.37 3.57 -0.47 0.50 116.94 121.23 1p5e h PHE 193 Ca 0.08 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.68 1p5e h PHE 193 Cb 0.78 0.27 -0.10 0.00 2.79 0.00 0.00 35.95 39.69 1p5e h PHE 193 CO 0.04 -0.48 -0.04 0.00 -2.23 0.00 0.00 178.31 175.59 1p5e h ALA 194 N -0.42 0.49 -0.78 2.41 0.00 -1.39 -2.25 119.26 117.32 1p5e h ALA 194 Ca -0.08 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1p5e h ALA 194 Cb 0.64 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1p5e h ALA 194 CO 0.12 -0.41 0.42 1.49 0.00 0.00 0.00 179.25 180.87 1p5e h GLU 195 N 0.08 1.08 -0.31 0.00 4.81 -0.81 -1.83 114.58 117.60 1p5e h GLU 195 Ca 0.28 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1p5e h GLU 195 Cb 0.44 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1p5e h GLU 195 CO -0.51 0.80 0.10 0.52 -0.73 0.00 0.00 179.01 179.19 1p5e h MET 196 N 1.09 0.44 0.01 1.92 2.86 -0.30 0.83 114.93 121.77 1p5e h MET 196 Ca 0.28 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1p5e h MET 196 Cb 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1p5e h MET 196 CO -0.04 0.39 -0.00 0.28 1.06 0.00 0.00 176.91 178.59 1p5e h VAL 197 N 0.44 1.58 0.00 -2.22 2.07 -1.14 -3.38 116.25 113.60 1p5e h VAL 197 Ca 0.11 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1p5e h VAL 197 Cb 0.13 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1p5e h VAL 197 CO -0.01 0.47 -0.87 0.71 0.02 0.00 0.00 177.57 177.89 1p5e h THR 198 N -0.82 0.00 -0.20 2.57 1.35 -1.32 -3.46 112.91 111.03 1p5e h THR 198 Ca -0.00 -0.94 -0.09 0.00 -0.55 0.00 0.00 66.41 64.83 1p5e h THR 198 Cb 0.78 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 1p5e h THR 198 CO 0.00 0.00 -0.08 0.54 -0.25 0.00 0.00 175.52 175.73 1p5e n ARG 199 N -2.65 -1.02 -4.13 4.72 1.74 0.29 -5.01 116.66 110.60 1p5e n ARG 199 Ca 0.01 0.51 -0.13 0.00 -0.77 0.00 0.00 57.85 57.47 1p5e n ARG 199 Cb 0.54 -4.41 -0.11 0.00 -1.02 0.00 0.00 32.46 27.45 1p5e n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1p5e s ARG 200 N -1.80 0.71 0.34 5.56 1.70 -1.24 -4.94 118.95 119.28 1p5e s ARG 200 Ca 0.00 -1.02 -0.29 0.00 -0.47 0.00 0.00 55.73 53.95 1p5e s ARG 200 Cb 0.00 -0.37 -0.11 0.00 -0.57 0.00 0.00 34.95 33.90 1p5e s ARG 200 CO 0.00 0.05 1.37 0.00 -1.08 0.00 0.00 175.30 175.64 1p5e s ALA 201 N -2.21 3.53 0.06 7.88 0.00 -1.26 -4.34 121.76 125.41 1p5e s ALA 201 Ca 0.00 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 1p5e s ALA 201 Cb -0.04 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1p5e s ALA 201 CO -0.01 -0.78 1.39 1.25 0.00 0.00 0.00 175.76 177.61 1p5e h LEU 202 N 3.31 0.51 -6.55 0.00 5.85 -1.91 -3.38 115.31 113.13 1p5e h LEU 202 Ca -0.49 -0.45 -0.60 0.00 0.84 0.00 0.00 57.88 57.17 1p5e h LEU 202 Cb 1.23 -0.14 -0.40 0.00 0.37 0.00 0.00 40.66 41.72 1p5e h LEU 202 CO 0.65 0.85 -0.80 0.49 -0.34 0.00 0.00 178.44 179.30 1p5e n PHE 203 N -4.47 1.28 -1.92 1.25 3.72 -1.26 -5.01 117.46 111.04 1p5e n PHE 203 Ca -0.05 -3.82 -0.41 0.00 -0.05 0.00 0.00 57.45 53.12 1p5e n PHE 203 Cb 0.38 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 1p5e n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1p5e n PRO 204 N 2.05 3.90 -1.62 -1.08 -0.04 -1.26 -4.47 135.00 132.49 1p5e n PRO 204 Ca 0.25 -3.11 -0.31 0.00 -0.04 0.00 0.00 63.50 60.29 1p5e n PRO 204 Cb 0.43 -2.84 0.05 0.00 -0.04 0.00 0.00 33.50 31.10 1p5e n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1p5e s GLY 205 N 1.24 1.66 0.00 0.55 0.00 -1.26 -5.01 107.32 104.51 1p5e s GLY 205 Ca 0.52 0.04 0.09 0.00 0.00 0.00 0.00 44.72 45.37 1p5e s GLY 205 CO -0.06 0.35 0.59 2.09 0.00 0.00 0.00 173.10 176.07 1p5e n ASP 206 N -3.09 1.12 -4.00 1.64 5.68 -1.26 -4.75 116.55 111.89 1p5e n ASP 206 Ca 0.07 -1.06 -0.10 0.00 -0.50 0.00 0.00 54.79 53.21 1p5e n ASP 206 Cb 0.54 0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 40.97 1p5e n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1p5e s SER 207 N -1.35 -0.05 0.14 -1.12 1.04 -1.26 -5.04 113.70 106.06 1p5e s SER 207 Ca 0.07 -0.94 -0.17 0.00 0.48 0.00 0.00 55.95 55.39 1p5e s SER 207 Cb 0.08 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1p5e s SER 207 CO 0.25 -1.06 1.76 -0.33 0.98 0.00 0.00 173.24 174.84 1p5e h GLU 208 N 2.34 0.46 -0.40 4.02 5.08 -1.99 0.10 114.58 124.20 1p5e h GLU 208 Ca -0.28 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 1p5e h GLU 208 Cb 1.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1p5e h GLU 208 CO 0.40 0.35 -0.24 0.97 -1.00 0.00 0.00 179.01 179.49 1p5e h ILE 209 N 0.43 1.27 -0.42 3.13 6.09 -1.97 -1.22 117.51 124.83 1p5e h ILE 209 Ca 0.12 -1.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.22 1p5e h ILE 209 Cb 0.01 1.22 -0.02 0.00 0.47 0.00 0.00 36.82 38.50 1p5e h ILE 209 CO -0.02 0.46 0.20 -0.78 -3.07 0.00 0.00 178.15 174.93 1p5e h ASP 210 N 0.71 0.55 -0.02 2.19 3.58 -1.93 -1.05 116.42 120.45 1p5e h ASP 210 Ca 0.09 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.43 1p5e h ASP 210 Cb 0.77 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1p5e h ASP 210 CO 0.06 0.53 -0.12 -0.61 -2.88 0.00 0.00 179.24 176.22 1p5e h GLN 211 N 0.53 -0.19 -0.39 0.28 5.75 -0.53 -0.73 115.11 119.84 1p5e h GLN 211 Ca 0.14 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.71 1p5e h GLN 211 Cb 0.13 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 1p5e h GLN 211 CO -0.02 -0.13 0.11 -0.07 -2.65 0.00 0.00 178.83 176.07 1p5e h LEU 212 N -0.20 0.08 -0.73 -2.39 3.38 -1.11 -1.74 115.31 112.60 1p5e h LEU 212 Ca 0.05 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1p5e h LEU 212 Cb 0.26 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1p5e h LEU 212 CO -0.13 0.08 0.26 -0.26 0.09 0.00 0.00 178.44 178.48 1p5e h PHE 213 N 0.25 1.15 -0.81 1.13 0.04 -0.99 0.27 116.94 117.99 1p5e h PHE 213 Ca 0.18 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1p5e h PHE 213 Cb 0.19 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 1p5e h PHE 213 CO -0.17 0.90 0.45 0.00 -0.60 0.00 0.00 178.31 178.88 1p5e h ARG 214 N 1.07 1.12 -0.02 1.51 3.08 -0.83 -0.53 114.38 119.77 1p5e h ARG 214 Ca 0.24 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1p5e h ARG 214 Cb 0.26 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1p5e h ARG 214 CO -0.01 0.81 -0.00 0.82 -1.07 0.00 0.00 179.97 180.52 1p5e h ILE 215 N 1.12 1.26 -0.99 2.04 2.04 -0.75 -2.90 117.51 119.32 1p5e h ILE 215 Ca 0.29 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.49 1p5e h ILE 215 Cb 0.02 1.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.75 1p5e h ILE 215 CO -0.05 0.21 0.63 -0.26 0.00 0.00 0.00 178.15 178.68 1p5e h PHE 216 N -0.27 1.12 0.00 1.37 0.04 -0.21 -0.45 116.94 118.54 1p5e h PHE 216 Ca 0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1p5e h PHE 216 Cb 0.33 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1p5e h PHE 216 CO 0.04 0.44 0.00 0.00 -0.60 0.00 0.00 178.31 178.19 1p5e h ARG 217 N 0.97 0.00 0.08 1.51 3.08 -1.07 0.25 114.38 119.20 1p5e h ARG 217 Ca 0.49 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.17 1p5e h ARG 217 Cb 0.50 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1p5e h ARG 217 CO -0.26 0.00 -2.18 2.41 -1.07 0.00 0.00 179.97 178.87 1p5e n THR 218 N -2.76 1.67 0.36 2.04 -1.04 -0.53 -4.59 114.28 109.42 1p5e n THR 218 Ca 0.03 -0.63 0.04 0.00 -2.04 0.00 0.00 64.05 61.45 1p5e n THR 218 Cb 0.37 -1.61 0.01 0.00 -1.82 0.00 0.00 70.33 67.27 1p5e n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1p5e n LEU 219 N -3.39 1.23 0.00 -4.42 4.77 -0.29 -3.71 117.00 111.19 1p5e n LEU 219 Ca -0.37 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1p5e n LEU 219 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1p5e n LEU 219 CO 0.37 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1p5e n GLY 220 N 0.74 0.30 3.71 -0.72 0.00 0.88 -4.53 105.19 105.57 1p5e n GLY 220 Ca 0.04 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1p5e n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p5e s THR 221 N -2.83 4.25 0.16 2.61 2.01 -0.44 -4.44 115.64 116.96 1p5e s THR 221 Ca 0.00 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.32 1p5e s THR 221 Cb 0.00 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 1p5e s THR 221 CO 0.00 0.13 1.03 -2.16 -0.69 0.00 0.00 174.62 172.93 1p5e s PRO 222 N 1.02 4.67 0.13 4.92 0.04 -1.26 -4.84 135.00 139.68 1p5e s PRO 222 Ca 0.57 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1p5e s PRO 222 Cb -0.27 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.96 1p5e s PRO 222 CO 0.29 0.18 0.07 -0.40 0.04 0.00 0.00 177.00 177.18 1p5e n ASP 223 N 2.39 1.68 0.27 6.66 5.68 -1.26 -4.93 116.55 127.05 1p5e n ASP 223 Ca 0.02 -1.47 0.15 0.00 -0.50 0.00 0.00 54.79 52.99 1p5e n ASP 223 Cb 0.47 0.02 0.69 0.00 -1.14 0.00 0.00 41.12 41.16 1p5e n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1p5e h GLU 224 N 0.00 0.00 0.47 0.11 4.39 -1.98 -0.62 114.58 116.95 1p5e h GLU 224 Ca -0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1p5e h GLU 224 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1p5e h GLU 224 CO 0.14 0.07 -0.23 0.28 -1.16 0.00 0.00 179.01 178.12 1p5e h VAL 225 N 0.00 0.31 -0.09 3.13 2.07 -1.99 -3.00 116.25 116.68 1p5e h VAL 225 Ca -0.00 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 1p5e h VAL 225 Cb 0.49 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1p5e h VAL 225 CO 0.01 0.06 -0.37 1.62 0.02 0.00 0.00 177.57 178.90 1p5e h VAL 226 N -1.03 1.29 -1.80 2.57 3.04 -1.92 -3.40 116.25 115.01 1p5e h VAL 226 Ca -0.06 -1.40 -0.38 0.00 -1.01 0.00 0.00 66.70 63.85 1p5e h VAL 226 Cb 0.58 1.64 -0.29 0.00 -2.01 0.00 0.00 31.29 31.21 1p5e h VAL 226 CO 0.11 0.42 -0.73 0.86 -1.01 0.00 0.00 177.57 177.21 1p5e s TRP 227 N -4.21 -0.21 0.15 3.17 -0.00 -0.26 -4.42 118.94 113.17 1p5e s TRP 227 Ca -0.04 -1.27 -0.34 0.00 -0.00 0.00 0.00 56.10 54.45 1p5e s TRP 227 Cb 0.14 -0.36 -0.14 0.00 -0.00 0.00 0.00 33.47 33.11 1p5e s TRP 227 CO 0.76 -1.01 1.61 -2.30 -0.00 0.00 0.00 176.95 176.00 1p5e n PRO 228 N 3.36 2.20 0.00 5.86 -0.02 -1.13 -1.50 135.00 143.76 1p5e n PRO 228 Ca 0.20 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1p5e n PRO 228 Cb 0.50 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1p5e n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p5e n GLY 229 N 3.51 3.19 0.26 -1.23 0.00 -1.26 -4.99 105.19 104.67 1p5e n GLY 229 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1p5e n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1p5e h VAL 230 N 0.00 0.35 0.00 1.61 -1.51 -1.58 -0.44 116.25 114.69 1p5e h VAL 230 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1p5e h VAL 230 Cb 0.00 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 29.45 1p5e h VAL 230 CO 0.00 0.01 0.00 0.35 -1.23 0.00 0.00 177.57 176.70 1p5e n THR 231 N -5.38 1.08 0.92 7.19 -2.24 -1.26 -1.71 114.28 112.87 1p5e n THR 231 Ca 0.11 0.29 0.09 0.00 -2.27 0.00 0.00 64.05 62.27 1p5e n THR 231 Cb 0.40 -1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 67.40 1p5e n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1p5e n SER 232 N -1.69 0.96 -4.76 3.42 7.64 -0.19 -4.90 113.62 114.09 1p5e n SER 232 Ca 0.03 -0.98 -0.38 0.00 1.01 0.00 0.00 58.87 58.54 1p5e n SER 232 Cb 0.16 0.98 0.00 0.00 -1.01 0.00 0.00 64.21 64.34 1p5e n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1p5e s MET 233 N -2.82 3.72 0.45 1.43 -1.94 -0.69 -4.91 119.30 114.53 1p5e s MET 233 Ca 0.08 2.04 0.22 0.00 -1.71 0.00 0.00 55.69 56.31 1p5e s MET 233 Cb 0.15 -2.53 1.20 0.00 2.01 0.00 0.00 34.83 35.66 1p5e s MET 233 CO 0.79 -0.66 1.85 -1.35 -0.01 0.00 0.00 175.02 175.64 1p5e h PRO 234 N 2.20 0.28 -0.10 2.03 0.11 -1.78 -1.70 132.00 133.04 1p5e h PRO 234 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1p5e h PRO 234 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1p5e h PRO 234 CO 0.61 0.19 0.00 -0.25 -0.21 0.00 0.00 178.00 178.33 1p5e n ASP 235 N -4.46 2.75 -4.76 -2.05 8.00 -0.84 -4.96 116.55 110.22 1p5e n ASP 235 Ca 0.20 -2.77 -0.40 0.00 0.71 0.00 0.00 54.79 52.53 1p5e n ASP 235 Cb 0.82 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 1p5e n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1p5e s TYR 236 N -2.35 3.62 -0.04 1.24 6.14 -0.64 -4.90 117.35 120.41 1p5e s TYR 236 Ca 0.28 1.73 0.02 0.00 0.64 0.00 0.00 57.07 59.74 1p5e s TYR 236 Cb 0.23 -3.22 0.01 0.00 0.42 0.00 0.00 41.96 39.40 1p5e s TYR 236 CO 0.05 -0.40 -0.10 0.15 0.64 0.00 0.00 175.55 175.90 1p5e s LYS 237 N -1.50 1.27 0.62 4.97 1.02 -1.26 -4.92 119.74 119.93 1p5e s LYS 237 Ca 0.45 -0.33 0.38 0.00 0.02 0.00 0.00 55.97 56.49 1p5e s LYS 237 Cb -0.30 -1.12 2.06 0.00 -0.52 0.00 0.00 37.83 37.95 1p5e s LYS 237 CO 0.38 0.06 2.27 -1.00 -0.92 0.00 0.00 175.35 176.14 1p5e h PRO 238 N 6.74 0.00 0.00 -1.68 0.13 -1.96 -1.69 132.00 133.53 1p5e h PRO 238 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1p5e h PRO 238 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p5e h PRO 238 CO 0.48 0.02 0.00 -1.13 -0.23 0.00 0.00 178.00 177.14 1p5e n SER 239 N -3.31 0.50 -4.55 1.44 3.41 -1.26 -4.84 113.62 105.00 1p5e n SER 239 Ca -0.02 0.60 -0.55 0.00 -0.26 0.00 0.00 58.87 58.63 1p5e n SER 239 Cb 0.12 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.30 1p5e n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1p5e n PHE 240 N -2.02 1.08 -1.68 7.33 3.72 -0.64 -4.88 117.46 120.37 1p5e n PHE 240 Ca 0.04 0.83 -0.40 0.00 -0.05 0.00 0.00 57.45 57.87 1p5e n PHE 240 Cb 0.27 -2.22 0.03 0.00 -0.94 0.00 0.00 39.48 36.62 1p5e n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1p5e n PRO 241 N 2.01 1.54 -3.45 -1.08 -0.02 -1.26 -4.95 135.00 127.79 1p5e n PRO 241 Ca 0.19 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1p5e n PRO 241 Cb 0.15 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 1p5e n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1p5e s LYS 242 N -2.48 3.65 0.26 -0.52 1.02 -1.26 -4.81 119.74 115.59 1p5e s LYS 242 Ca 0.67 -2.97 -0.29 0.00 0.02 0.00 0.00 55.97 53.40 1p5e s LYS 242 Cb -0.47 -4.28 -0.09 0.00 -0.52 0.00 0.00 37.83 32.46 1p5e s LYS 242 CO 0.53 -1.25 0.95 -1.58 -0.92 0.00 0.00 175.35 173.07 1p5e s TRP 243 N -0.80 3.90 0.54 3.18 0.51 -1.26 -4.87 118.94 120.13 1p5e s TRP 243 Ca 0.25 1.88 -0.20 0.00 -2.12 0.00 0.00 56.10 55.91 1p5e s TRP 243 Cb -0.10 -2.97 -0.05 0.00 -0.81 0.00 0.00 33.47 29.53 1p5e s TRP 243 CO -0.09 0.36 1.17 0.00 -0.51 0.00 0.00 176.95 177.88 1p5e s ALA 244 N -1.30 2.71 0.09 0.98 0.00 -1.26 -1.33 121.76 121.65 1p5e s ALA 244 Ca 0.44 0.92 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 1p5e s ALA 244 Cb -0.24 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 1p5e s ALA 244 CO 0.30 -0.88 1.26 0.50 0.00 0.00 0.00 175.76 176.94 1p5e s ARG 245 N -3.17 4.40 0.52 0.00 3.52 -1.26 -3.98 118.95 118.99 1p5e s ARG 245 Ca 0.72 1.88 -0.20 0.00 -0.13 0.00 0.00 55.73 58.00 1p5e s ARG 245 Cb -0.27 -3.30 -0.07 0.00 -1.56 0.00 0.00 34.95 29.75 1p5e s ARG 245 CO 0.31 -0.29 1.11 -1.14 -0.81 0.00 0.00 175.30 174.48 1p5e s GLN 246 N 0.91 3.49 -0.25 5.12 0.74 -1.24 -4.90 119.66 123.53 1p5e s GLN 246 Ca 0.60 1.56 -0.36 0.00 0.05 0.00 0.00 55.36 57.21 1p5e s GLN 246 Cb -0.32 -2.05 -0.12 0.00 1.10 0.00 0.00 33.01 31.61 1p5e s GLN 246 CO 0.30 -0.73 1.97 -3.47 -0.55 0.00 0.00 175.29 172.81 1p5e n ASP 247 N -1.17 2.66 0.29 6.67 2.03 -1.26 -4.85 116.55 120.92 1p5e n ASP 247 Ca 0.11 0.77 0.16 0.00 0.52 0.00 0.00 54.79 56.35 1p5e n ASP 247 Cb 0.51 -1.27 0.89 0.00 -0.72 0.00 0.00 41.12 40.53 1p5e n ASP 247 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1p5e h PHE 248 N 10.00 0.00 0.00 -0.67 3.57 -1.93 -0.71 116.94 127.20 1p5e h PHE 248 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1p5e h PHE 248 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1p5e h PHE 248 CO 0.88 0.04 0.00 0.66 -2.23 0.00 0.00 178.31 177.67 1p5e h SER 249 N 0.00 0.00 0.60 0.41 4.64 -1.92 -2.57 113.55 114.71 1p5e h SER 249 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p5e h SER 249 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1p5e h SER 249 CO 0.01 0.00 -0.80 0.29 -0.87 0.00 0.00 176.83 175.45 1p5e n LYS 250 N -2.36 0.25 -0.08 4.77 4.76 -0.27 -3.34 118.16 121.89 1p5e n LYS 250 Ca 0.00 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.34 1p5e n LYS 250 Cb 0.13 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 31.66 1p5e n LYS 250 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1p5e h VAL 251 N 0.00 1.32 -2.39 -0.18 2.07 -1.57 -3.37 116.25 112.12 1p5e h VAL 251 Ca 0.00 -1.34 -0.59 0.00 0.82 0.00 0.00 66.70 65.59 1p5e h VAL 251 Cb 0.70 1.67 -0.39 0.00 -1.52 0.00 0.00 31.29 31.75 1p5e h VAL 251 CO 0.00 0.41 -0.95 0.52 0.02 0.00 0.00 177.57 177.58 1p5e n VAL 252 N -4.42 -0.81 -0.27 2.57 0.31 -1.26 -5.04 118.33 109.41 1p5e n VAL 252 Ca -0.05 -3.67 0.17 0.00 -0.01 0.00 0.00 64.34 60.79 1p5e n VAL 252 Cb 0.40 -1.75 0.47 0.00 -0.91 0.00 0.00 33.84 32.05 1p5e n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1p5e h PRO 253 N 5.40 0.48 0.00 5.55 0.11 -1.73 -0.11 132.00 141.70 1p5e h PRO 253 Ca 0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1p5e h PRO 253 Cb 0.89 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1p5e h PRO 253 CO 0.42 0.32 0.00 -2.30 -0.21 0.00 0.00 178.00 176.23 1p5e n PRO 254 N -4.56 0.14 -2.32 1.05 -0.02 -1.26 -4.81 135.00 123.22 1p5e n PRO 254 Ca 0.20 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1p5e n PRO 254 Cb 0.66 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1p5e n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1p5e s LEU 255 N -4.16 4.40 0.97 2.45 2.96 -0.06 -5.03 118.68 120.21 1p5e s LEU 255 Ca 0.02 2.22 -0.12 0.00 -0.22 0.00 0.00 54.13 56.03 1p5e s LEU 255 Cb 0.08 -3.59 0.17 0.00 0.50 0.00 0.00 46.19 43.34 1p5e s LEU 255 CO 0.29 -0.49 1.12 1.51 -1.32 0.00 0.00 176.35 177.45 1p5e s ASP 256 N 0.66 2.97 0.24 3.68 1.47 -1.26 -4.73 116.67 119.70 1p5e s ASP 256 Ca 0.58 1.05 -0.05 0.00 1.18 0.00 0.00 52.55 55.31 1p5e s ASP 256 Cb -0.33 -1.67 0.46 0.00 -0.34 0.00 0.00 42.92 41.03 1p5e s ASP 256 CO 0.33 -2.90 1.67 -0.08 0.68 0.00 0.00 175.17 174.88 1p5e h GLU 257 N -1.74 0.22 -0.10 2.11 4.81 -1.99 -0.92 114.58 116.98 1p5e h GLU 257 Ca -0.53 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 1p5e h GLU 257 Cb 1.33 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1p5e h GLU 257 CO 0.60 0.15 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.55 1p5e h ASP 258 N 0.23 0.20 -0.54 1.04 3.32 -1.97 -1.01 116.42 117.68 1p5e h ASP 258 Ca 0.41 -0.39 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1p5e h ASP 258 Cb 0.72 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 1p5e h ASP 258 CO -0.54 0.54 0.25 1.23 -1.72 0.00 0.00 179.24 179.00 1p5e h GLY 259 N -0.15 0.76 1.00 2.75 0.00 -1.85 0.23 103.07 105.81 1p5e h GLY 259 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1p5e h GLY 259 CO 0.01 0.07 0.29 3.21 0.00 0.00 0.00 176.54 180.12 1p5e h ARG 260 N 0.47 0.60 -0.11 4.80 3.08 -1.13 0.21 114.38 122.29 1p5e h ARG 260 Ca 0.25 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.29 1p5e h ARG 260 Cb 0.22 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1p5e h ARG 260 CO -0.21 0.41 -0.10 1.03 -1.07 0.00 0.00 179.97 180.03 1p5e h SER 261 N 0.61 -0.31 -0.14 7.04 0.87 -0.66 -1.05 113.55 119.92 1p5e h SER 261 Ca 0.17 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1p5e h SER 261 Cb -0.05 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1p5e h SER 261 CO -0.03 -0.13 0.06 0.25 -0.53 0.00 0.00 176.83 176.44 1p5e h LEU 262 N -0.12 0.18 -0.36 2.23 5.85 -0.56 -2.29 115.31 120.24 1p5e h LEU 262 Ca 0.08 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1p5e h LEU 262 Cb 0.23 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1p5e h LEU 262 CO -0.18 0.27 0.02 0.25 -0.34 0.00 0.00 178.44 178.45 1p5e h LEU 263 N 0.08 -0.10 -1.61 2.25 5.85 -0.51 -1.45 115.31 119.83 1p5e h LEU 263 Ca 0.05 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1p5e h LEU 263 Cb 0.14 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1p5e h LEU 263 CO -0.01 -0.01 0.29 0.77 -0.34 0.00 0.00 178.44 179.14 1p5e h SER 264 N 0.13 0.45 1.11 1.25 4.64 -1.04 -0.12 113.55 119.98 1p5e h SER 264 Ca 0.18 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 1p5e h SER 264 Cb 0.23 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1p5e h SER 264 CO -0.27 0.32 -0.47 1.56 -0.87 0.00 0.00 176.83 177.10 1p5e h GLN 265 N 0.53 0.00 0.00 4.77 4.20 -0.81 -2.50 115.11 121.30 1p5e h GLN 265 Ca 0.17 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 1p5e h GLN 265 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1p5e h GLN 265 CO -0.04 0.47 -0.40 0.52 -0.67 0.00 0.00 178.83 178.71 1p5e h MET 266 N 0.00 0.00 -0.37 1.46 2.86 -0.15 -1.70 114.93 117.02 1p5e h MET 266 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1p5e h MET 266 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1p5e h MET 266 CO 0.06 0.40 0.00 1.28 1.06 0.00 0.00 176.91 179.71 1p5e n LEU 267 N -3.27 4.45 -4.75 1.22 4.77 -0.19 -4.07 117.00 115.16 1p5e n LEU 267 Ca 0.02 -2.93 -0.41 0.00 -0.03 0.00 0.00 56.01 52.65 1p5e n LEU 267 Cb 0.64 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1p5e n LEU 267 CO 0.38 0.67 1.14 -2.28 -1.33 0.00 0.00 177.39 175.98 1p5e s HIS 268 N -2.70 2.95 0.07 -1.77 2.46 -0.96 -4.94 115.29 110.40 1p5e s HIS 268 Ca 0.46 0.95 -0.25 0.00 0.47 0.00 0.00 55.06 56.69 1p5e s HIS 268 Cb 0.36 -3.89 -0.16 0.00 -0.13 0.00 0.00 32.58 28.75 1p5e s HIS 268 CO 0.12 -2.93 1.64 1.88 -2.47 0.00 0.00 174.74 172.98 1p5e h TYR 269 N 5.02 -0.18 -2.91 3.88 0.05 -1.90 -3.42 116.97 117.51 1p5e h TYR 269 Ca -0.46 -0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.75 1p5e h TYR 269 Cb 1.22 0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.98 1p5e h TYR 269 CO 0.60 -0.05 1.05 0.34 -1.05 0.00 0.00 178.16 179.04 1p5e s ASP 270 N -5.08 6.55 0.36 3.88 -1.08 -1.26 -4.84 116.67 115.20 1p5e s ASP 270 Ca -0.14 1.51 0.10 0.00 -0.52 0.00 0.00 52.55 53.50 1p5e s ASP 270 Cb 0.05 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.82 1p5e s ASP 270 CO 0.65 -1.13 1.88 -0.65 0.52 0.00 0.00 175.17 176.43 1p5e h PRO 271 N 9.92 0.64 -0.62 4.34 0.11 -1.95 0.18 132.00 144.61 1p5e h PRO 271 Ca -0.31 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1p5e h PRO 271 Cb 1.13 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1p5e h PRO 271 CO 1.01 0.42 0.41 -0.91 -0.21 0.00 0.00 178.00 178.72 1p5e h ASN 272 N 0.66 0.67 0.74 -2.05 4.21 -1.96 -3.08 115.58 114.77 1p5e h ASN 272 Ca 0.43 -0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.77 1p5e h ASN 272 Cb 0.72 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.73 1p5e h ASN 272 CO -0.19 0.47 -1.36 0.11 -1.29 0.00 0.00 177.43 175.17 1p5e h LYS 273 N 0.79 0.00 -6.56 0.81 1.57 -1.42 -3.47 116.57 108.29 1p5e h LYS 273 Ca 0.24 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.42 1p5e h LYS 273 Cb -0.01 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.38 1p5e h LYS 273 CO -0.06 0.28 0.53 -2.13 -0.57 0.00 0.00 179.45 177.50 1p5e n ARG 274 N -2.89 1.88 -2.02 3.15 0.63 -0.28 -4.90 116.66 112.24 1p5e n ARG 274 Ca -0.09 0.67 -0.41 0.00 -0.92 0.00 0.00 57.85 57.10 1p5e n ARG 274 Cb 0.82 -2.28 -0.01 0.00 0.45 0.00 0.00 32.46 31.44 1p5e n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1p5e s ILE 275 N -0.22 2.51 0.59 5.15 2.07 -0.64 -5.00 121.20 125.66 1p5e s ILE 275 Ca 0.67 0.51 -0.16 0.00 -1.41 0.00 0.00 60.65 60.27 1p5e s ILE 275 Cb -0.67 -3.32 -0.04 0.00 0.13 0.00 0.00 42.46 38.55 1p5e s ILE 275 CO 0.52 0.12 1.06 -0.94 -1.91 0.00 0.00 174.94 173.78 1p5e s SER 276 N -0.40 5.82 0.36 4.50 1.04 -1.26 -4.89 113.70 118.87 1p5e s SER 276 Ca 0.50 1.82 0.04 0.00 0.48 0.00 0.00 55.95 58.80 1p5e s SER 276 Cb -0.42 -2.53 0.70 0.00 0.10 0.00 0.00 66.02 63.87 1p5e s SER 276 CO 0.56 -1.14 1.99 0.00 0.98 0.00 0.00 173.24 175.63 1p5e h ALA 277 N 0.50 1.63 0.24 5.32 0.00 -1.94 -1.86 119.26 123.15 1p5e h ALA 277 Ca -0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1p5e h ALA 277 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1p5e h ALA 277 CO 0.58 0.30 -0.12 -0.22 0.00 0.00 0.00 179.25 179.79 1p5e h LYS 278 N 0.79 -0.31 -0.32 0.00 3.64 -1.92 -2.86 116.57 115.58 1p5e h LYS 278 Ca 0.26 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1p5e h LYS 278 Cb 0.06 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1p5e h LYS 278 CO -0.07 -0.18 0.01 0.00 -2.27 0.00 0.00 179.45 176.94 1p5e h ALA 279 N 0.38 1.41 0.00 5.00 0.00 -1.89 -2.94 119.26 121.23 1p5e h ALA 279 Ca -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1p5e h ALA 279 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1p5e h ALA 279 CO 0.05 0.42 -0.24 0.00 0.00 0.00 0.00 179.25 179.48 1p5e h ALA 280 N 1.54 1.60 -0.01 0.00 0.00 -1.13 -2.61 119.26 118.64 1p5e h ALA 280 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1p5e h ALA 280 Cb 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p5e h ALA 280 CO 0.01 0.30 0.01 -0.07 0.00 0.00 0.00 179.25 179.49 1p5e h LEU 281 N 0.00 0.00 -2.67 0.00 3.38 -1.31 -1.53 115.31 113.18 1p5e h LEU 281 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p5e h LEU 281 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1p5e h LEU 281 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1p5e n ALA 282 N -2.32 2.64 -1.77 1.53 0.00 -0.98 -4.90 120.51 114.72 1p5e n ALA 282 Ca -0.03 -1.30 -0.40 0.00 0.00 0.00 0.00 53.44 51.71 1p5e n ALA 282 Cb 0.09 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1p5e n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1p5e s HIS 283 N -1.36 3.22 0.55 0.00 5.04 -0.58 -4.92 115.29 117.25 1p5e s HIS 283 Ca 0.47 1.54 0.32 0.00 -1.54 0.00 0.00 55.06 55.85 1p5e s HIS 283 Cb 0.26 -3.48 1.48 0.00 0.04 0.00 0.00 32.58 30.88 1p5e s HIS 283 CO 0.28 -1.31 1.85 -1.35 -2.34 0.00 0.00 174.74 171.87 1p5e h PRO 284 N 3.34 0.00 -0.92 2.88 0.11 -1.93 -0.44 132.00 135.04 1p5e h PRO 284 Ca -0.48 0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.86 1p5e h PRO 284 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1p5e h PRO 284 CO 0.65 0.00 0.62 0.35 -0.21 0.00 0.00 178.00 179.41 1p5e h PHE 285 N 0.00 0.38 -0.26 0.65 3.57 -1.91 -1.34 116.94 118.02 1p5e h PHE 285 Ca 0.41 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1p5e h PHE 285 Cb 1.77 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.40 1p5e h PHE 285 CO 0.00 0.09 0.00 1.19 -2.23 0.00 0.00 178.31 177.36 1p5e n PHE 286 N -4.45 0.34 -0.27 0.41 3.72 -0.17 -4.52 117.46 112.52 1p5e n PHE 286 Ca 0.20 -0.17 0.18 0.00 -0.05 0.00 0.00 57.45 57.60 1p5e n PHE 286 Cb 0.81 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.81 1p5e n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1p5e h GLN 287 N 2.51 0.48 -0.38 -1.08 3.07 -1.39 -1.46 115.11 116.86 1p5e h GLN 287 Ca 0.00 -0.03 -0.17 0.00 0.09 0.00 0.00 58.65 58.54 1p5e h GLN 287 Cb 0.56 -0.11 -0.10 0.00 0.08 0.00 0.00 27.48 27.91 1p5e h GLN 287 CO 0.00 0.32 -0.00 -0.40 0.09 0.00 0.00 178.83 178.84 1p5e n ASP 288 N -4.57 2.89 -4.77 0.06 5.75 -1.26 -5.05 116.55 109.60 1p5e n ASP 288 Ca 0.20 -3.60 -0.41 0.00 -0.01 0.00 0.00 54.79 50.98 1p5e n ASP 288 Cb 0.67 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1p5e n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1p5e s VAL 289 N -3.16 2.63 0.32 2.12 0.11 -0.55 -5.04 120.40 116.83 1p5e s VAL 289 Ca 0.45 0.61 0.03 0.00 -2.93 0.00 0.00 61.98 60.14 1p5e s VAL 289 Cb 0.40 -3.39 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 1p5e s VAL 289 CO 0.03 0.14 0.13 0.42 -3.33 0.00 0.00 175.10 172.48 1p5e s THR 290 N -0.91 0.53 -0.71 5.04 -4.23 -1.26 -5.09 115.64 109.01 1p5e s THR 290 Ca 0.51 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1p5e s THR 290 Cb -0.41 -2.53 0.22 0.00 1.34 0.00 0.00 72.50 71.12 1p5e s THR 290 CO 0.52 0.00 0.68 1.17 -0.54 0.00 0.00 174.62 176.45 1p5e n LYS 291 N -0.65 2.35 -2.24 3.99 4.81 -1.26 -4.31 118.16 120.85 1p5e n LYS 291 Ca -0.01 -4.59 -0.33 0.00 -0.87 0.00 0.00 58.31 52.51 1p5e n LYS 291 Cb 0.65 -2.29 -0.01 0.00 0.02 0.00 0.00 35.03 33.40 1p5e n LYS 291 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1p5e s PRO 292 N -2.01 3.57 0.58 1.64 0.04 -1.26 -4.83 135.00 132.73 1p5e s PRO 292 Ca 0.33 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 1p5e s PRO 292 Cb 0.05 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1p5e s PRO 292 CO -0.08 -0.60 1.34 0.54 0.04 0.00 0.00 177.00 178.24 1p5e s VAL 293 N -2.38 2.05 0.44 -0.36 0.11 -1.26 -4.32 120.40 114.68 1p5e s VAL 293 Ca 0.63 0.04 -0.26 0.00 -2.93 0.00 0.00 61.98 59.46 1p5e s VAL 293 Cb -0.15 -3.02 -0.09 0.00 -1.53 0.00 0.00 36.38 31.60 1p5e s VAL 293 CO 0.32 -0.00 1.46 -2.16 -3.33 0.00 0.00 175.10 171.38 1p5e s PRO 294 N -3.07 3.75 0.00 1.54 0.04 -1.26 -4.88 135.00 131.12 1p5e s PRO 294 Ca 0.75 2.49 0.23 0.00 0.04 0.00 0.00 61.00 64.51 1p5e s PRO 294 Cb -0.40 -2.72 1.02 0.00 0.04 0.00 0.00 34.50 32.44 1p5e s PRO 294 CO 0.45 -0.79 1.73 -2.39 0.04 0.00 0.00 177.00 176.05 1p5e n HIS 295 N -0.07 0.00 0.09 0.56 1.44 -1.26 -5.03 115.22 110.94 1p5e n HIS 295 Ca 0.04 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.76 1p5e n HIS 295 Cb 0.41 -0.45 0.01 0.00 0.12 0.00 0.00 29.99 30.08 1p5e n HIS 295 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81