#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p5e n MET 1 N 0.00 0.99 -0.36 1.43 0.00 -1.26 -4.28 117.12 113.64 1p5e n MET 1 Ca 0.00 -0.67 0.28 0.00 0.00 0.00 0.00 57.70 57.31 1p5e n MET 1 Cb 0.00 -1.49 0.54 0.00 0.00 0.00 0.00 33.22 32.28 1p5e n MET 1 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1p5e h GLU 2 N 1.63 0.23 -0.01 0.03 4.81 -2.06 0.15 114.58 119.37 1p5e h GLU 2 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1p5e h GLU 2 Cb 0.58 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1p5e h GLU 2 CO 0.00 0.15 -0.06 0.09 -0.73 0.00 0.00 179.01 178.46 1p5e n ASN 3 N -4.89 0.57 -4.43 1.04 3.02 -1.26 -4.85 115.26 104.46 1p5e n ASN 3 Ca 0.33 -0.88 -0.33 0.00 -0.03 0.00 0.00 54.58 53.67 1p5e n ASN 3 Cb 1.13 -0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 40.13 1p5e n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1p5e s PHE 4 N -2.25 2.89 -0.33 3.10 0.08 0.53 -0.34 117.98 121.66 1p5e s PHE 4 Ca 0.36 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 56.86 1p5e s PHE 4 Cb 0.21 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 1p5e s PHE 4 CO 0.42 -0.10 0.14 -1.14 -0.10 0.00 0.00 175.22 174.45 1p5e s GLN 5 N 0.23 3.03 0.29 0.44 2.00 -0.38 -4.94 119.66 120.33 1p5e s GLN 5 Ca -0.06 -0.92 -0.29 0.00 -2.00 0.00 0.00 55.36 52.09 1p5e s GLN 5 Cb -0.15 -3.55 -0.10 0.00 0.80 0.00 0.00 33.01 30.01 1p5e s GLN 5 CO 0.04 -0.54 1.37 0.15 -0.50 0.00 0.00 175.29 175.82 1p5e s LYS 6 N 1.54 4.31 -0.17 1.67 1.02 -1.26 -1.38 119.74 125.46 1p5e s LYS 6 Ca 0.02 2.26 -0.08 0.00 0.02 0.00 0.00 55.97 58.20 1p5e s LYS 6 Cb -0.18 -3.09 -0.07 0.00 -0.52 0.00 0.00 37.83 33.97 1p5e s LYS 6 CO 0.05 -0.31 -0.22 0.28 -0.92 0.00 0.00 175.35 174.23 1p5e n VAL 7 N 1.54 0.93 -3.48 3.17 0.31 0.13 -4.94 118.33 115.99 1p5e n VAL 7 Ca 0.03 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 1p5e n VAL 7 Cb 0.41 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.31 1.01 0.03 5.55 -1.05 -1.16 -5.00 118.70 115.77 1p5e s GLU 8 Ca -0.24 -0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 1p5e s GLU 8 Cb 0.09 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 1p5e s GLU 8 CO 0.30 -0.44 1.01 0.21 0.95 0.00 0.00 175.26 177.28 1p5e s LYS 9 N -3.38 4.57 0.00 -4.83 2.20 -1.26 0.22 119.74 117.25 1p5e s LYS 9 Ca 0.04 1.48 0.05 0.00 -0.36 0.00 0.00 55.97 57.18 1p5e s LYS 9 Cb -0.01 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1p5e s LYS 9 CO -0.10 -0.03 0.59 0.44 -0.36 0.00 0.00 175.35 175.88 1p5e n ILE 10 N 3.68 0.00 -0.09 5.43 -5.35 0.43 -4.86 119.36 118.60 1p5e n ILE 10 Ca 0.06 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1p5e n ILE 10 Cb 0.50 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 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 0.44 -2.12 0.00 3.28 0.00 -1.07 -4.99 105.19 100.73 1p5e n GLY 11 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1p5e n GLY 11 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1p5e n GLU 12 N -0.55 0.00 0.00 1.61 0.28 -1.26 -0.36 120.64 120.36 1p5e n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1p5e n GLU 12 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1p5e n GLU 12 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1p5e n GLY 13 N 0.00 1.11 0.56 -1.84 0.00 -1.26 -4.86 105.19 98.91 1p5e n GLY 13 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 1p5e n GLY 13 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1p5e n THR 14 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.79 114.28 116.50 1p5e n THR 14 Ca 0.00 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1p5e n THR 14 Cb 0.00 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 1p5e n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p5e n TYR 15 N -1.11 0.00 -0.16 1.09 0.18 -1.26 -4.66 117.16 111.25 1p5e n TYR 15 Ca 0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.80 1p5e n TYR 15 Cb 0.09 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 1p5e n TYR 15 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1p5e n GLY 16 N 0.00 -0.04 3.90 -7.48 0.00 -1.25 -2.31 105.19 98.02 1p5e n GLY 16 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1p5e n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p5e s VAL 17 N -1.42 4.98 -0.25 1.61 1.01 -1.24 -4.35 120.40 120.73 1p5e s VAL 17 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1p5e s VAL 17 Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1p5e s VAL 17 CO 0.00 -0.31 0.05 -0.69 0.00 0.00 0.00 175.10 174.15 1p5e s VAL 18 N -2.08 4.12 -0.05 2.92 1.01 0.51 -1.07 120.40 125.76 1p5e s VAL 18 Ca 0.45 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1p5e s VAL 18 Cb -0.11 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1p5e s VAL 18 CO 0.29 0.33 0.03 -0.31 0.00 0.00 0.00 175.10 175.44 1p5e s TYR 19 N 1.58 3.20 0.08 5.22 1.51 0.95 -0.43 117.35 129.47 1p5e s TYR 19 Ca 0.06 0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 56.04 1p5e s TYR 19 Cb -0.15 -1.76 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1p5e s TYR 19 CO 0.02 0.51 0.87 0.21 -1.11 0.00 0.00 175.55 176.05 1p5e s LYS 20 N -1.22 4.60 0.12 -0.62 2.20 0.13 -0.31 119.74 124.65 1p5e s LYS 20 Ca 0.17 1.27 -0.12 0.00 -0.36 0.00 0.00 55.97 56.93 1p5e s LYS 20 Cb -0.12 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 1p5e s LYS 20 CO 0.07 0.25 0.30 0.00 -0.36 0.00 0.00 175.35 175.60 1p5e s ALA 21 N -0.04 -0.46 0.02 3.13 0.00 0.02 0.19 121.76 124.63 1p5e s ALA 21 Ca 0.43 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1p5e s ALA 21 Cb -0.22 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1p5e s ALA 21 CO 0.27 -0.60 -0.19 -0.98 0.00 0.00 0.00 175.76 174.26 1p5e s ARG 22 N -3.86 1.36 -0.37 0.00 1.70 -0.48 0.30 118.95 117.59 1p5e s ARG 22 Ca 0.07 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.24 1p5e s ARG 22 Cb 0.03 -1.39 0.01 0.00 -0.57 0.00 0.00 34.95 33.03 1p5e s ARG 22 CO -0.09 0.37 1.28 1.21 -1.08 0.00 0.00 175.30 176.98 1p5e s ASN 23 N -0.88 6.59 0.37 -2.89 3.84 0.18 -1.25 114.94 120.90 1p5e s ASN 23 Ca 0.06 0.92 0.09 0.00 0.21 0.00 0.00 52.86 54.14 1p5e s ASN 23 Cb -0.08 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.90 1p5e s ASN 23 CO 0.01 -1.20 1.91 0.11 -2.79 0.00 0.00 177.10 175.14 1p5e h LYS 24 N 9.56 0.66 0.16 0.43 1.57 -1.01 0.26 116.57 128.20 1p5e h LYS 24 Ca -0.25 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.19 1p5e h LYS 24 Cb 1.09 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1p5e h LYS 24 CO 1.07 0.44 -1.47 -0.07 -0.57 0.00 0.00 179.45 178.85 1p5e h LEU 25 N 0.68 0.51 0.00 2.94 3.38 -1.91 -3.39 115.31 117.53 1p5e h LEU 25 Ca 0.38 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 1p5e h LEU 25 Cb 0.56 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1p5e h LEU 25 CO -0.15 1.66 -1.83 0.35 0.09 0.00 0.00 178.44 178.56 1p5e n THR 26 N -3.82 0.18 -0.69 0.22 -2.24 -1.17 -4.99 114.28 101.77 1p5e n THR 26 Ca -0.23 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1p5e n THR 26 Cb 0.97 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.27 1.10 3.76 3.38 0.00 0.91 -5.02 105.19 110.59 1p5e n GLY 27 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.20 4.24 -0.19 1.61 2.12 -1.25 -4.64 118.70 120.40 1p5e s GLU 28 Ca 0.00 2.36 -0.14 0.00 0.36 0.00 0.00 54.97 57.55 1p5e s GLU 28 Cb 0.00 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1p5e s GLU 28 CO 0.00 -0.41 0.33 0.08 -0.54 0.00 0.00 175.26 174.72 1p5e s VAL 29 N -0.48 5.26 0.29 3.70 1.01 -1.26 0.47 120.40 129.39 1p5e s VAL 29 Ca 0.56 0.58 0.03 0.00 0.00 0.00 0.00 61.98 63.15 1p5e s VAL 29 Cb -0.43 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1p5e s VAL 29 CO 0.50 0.32 0.07 0.68 0.00 0.00 0.00 175.10 176.67 1p5e s VAL 30 N 0.90 0.94 -0.16 2.92 -7.23 0.15 -3.32 120.40 114.60 1p5e s VAL 30 Ca 0.17 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1p5e s VAL 30 Cb -0.14 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 1p5e s VAL 30 CO 0.06 -0.03 -0.09 0.00 -0.31 0.00 0.00 175.10 174.73 1p5e s ALA 31 N -3.48 2.73 -0.26 1.32 0.00 -0.46 -0.80 121.76 120.83 1p5e s ALA 31 Ca 0.36 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1p5e s ALA 31 Cb 0.08 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1p5e s ALA 31 CO 0.14 0.04 0.12 -0.51 0.00 0.00 0.00 175.76 175.55 1p5e s LEU 32 N 0.69 3.71 -0.42 0.00 1.43 0.58 -0.63 118.68 124.04 1p5e s LEU 32 Ca -0.05 -0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 1p5e s LEU 32 Cb -0.15 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.10 1p5e s LEU 32 CO 0.02 -0.02 0.29 -0.75 0.23 0.00 0.00 176.35 176.12 1p5e s LYS 33 N 1.57 2.88 -0.13 1.70 2.20 -0.10 -0.03 119.74 127.83 1p5e s LYS 33 Ca 0.06 -1.17 -0.26 0.00 -0.36 0.00 0.00 55.97 54.24 1p5e s LYS 33 Cb -0.15 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 1p5e s LYS 33 CO 0.06 -0.83 0.86 0.21 -0.36 0.00 0.00 175.35 175.30 1p5e s LYS 34 N 1.60 4.36 -0.29 4.03 2.20 -0.23 -1.22 119.74 130.19 1p5e s LYS 34 Ca 0.04 1.11 -0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1p5e s LYS 34 Cb -0.21 -3.54 0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1p5e s LYS 34 CO 0.07 -0.26 -0.03 0.42 -0.36 0.00 0.00 175.35 175.19 1p5e s ILE 35 N 1.88 2.72 0.16 5.43 -1.09 0.16 -3.73 121.20 126.72 1p5e s ILE 35 Ca 0.41 -1.47 -0.30 0.00 -2.23 0.00 0.00 60.65 57.06 1p5e s ILE 35 Cb -0.17 -2.58 -0.08 0.00 -1.58 0.00 0.00 42.46 38.05 1p5e s ILE 35 CO 0.15 -0.09 1.21 -0.60 -1.23 0.00 0.00 174.94 174.39 1p5e s ARG 36 N 1.20 4.47 -0.17 2.79 3.52 -0.98 -0.88 118.95 128.90 1p5e s ARG 36 Ca -0.06 1.87 -0.07 0.00 -0.13 0.00 0.00 55.73 57.34 1p5e s ARG 36 Cb -0.20 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1p5e s ARG 36 CO -0.02 -0.14 0.06 -0.51 -0.81 0.00 0.00 175.30 173.87 1p5e s LEU 37 N 0.08 3.80 -1.05 -0.88 1.43 -0.97 -4.80 118.68 116.29 1p5e s LEU 37 Ca 0.55 0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.61 1p5e s LEU 37 Cb -0.32 -1.95 0.20 0.00 0.03 0.00 0.00 46.19 44.15 1p5e s LEU 37 CO 0.35 0.21 1.16 1.51 0.23 0.00 0.00 176.35 179.80 1p5e s ASP 38 N 0.17 6.99 0.55 2.29 1.47 -1.23 -4.81 116.67 122.10 1p5e s ASP 38 Ca 0.04 -2.90 0.31 0.00 1.18 0.00 0.00 52.55 51.17 1p5e s ASP 38 Cb -0.12 -2.31 1.47 0.00 -0.34 0.00 0.00 42.92 41.61 1p5e s ASP 38 CO 0.01 -0.65 1.88 0.71 0.68 0.00 0.00 175.17 177.79 1p5e h THR 39 N 4.66 0.49 -3.32 2.11 1.35 -1.88 -2.50 112.91 113.82 1p5e h THR 39 Ca 0.21 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 65.40 1p5e h THR 39 Cb 0.94 0.56 -0.29 0.00 -1.73 0.00 0.00 68.15 67.62 1p5e h THR 39 CO 1.06 0.00 -0.81 -1.83 -0.25 0.00 0.00 175.52 173.69 1p5e s GLU 40 N -4.86 3.25 0.00 4.72 1.03 -1.26 -4.85 118.70 116.72 1p5e s GLU 40 Ca -0.05 -0.76 0.00 0.00 0.03 0.00 0.00 54.97 54.19 1p5e s GLU 40 Cb 0.20 -2.52 0.00 0.00 -0.80 0.00 0.00 34.13 31.01 1p5e s GLU 40 CO 0.70 0.17 0.00 0.25 -1.33 0.00 0.00 175.26 175.05 1p5e n THR 41 N 3.61 0.00 0.88 1.83 -2.24 -1.20 -4.79 114.28 112.36 1p5e n THR 41 Ca -0.19 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1p5e n THR 41 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.34 0.00 -0.78 -0.58 -1.23 -5.07 120.64 114.31 1p5e n GLU 42 Ca 0.00 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 55.93 1p5e n GLU 42 Cb 0.00 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 1.32 0.41 3.68 0.62 0.00 -0.95 -4.74 105.19 105.54 1p5e n GLY 43 Ca 0.08 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 4.38 0.50 1.61 1.01 -1.26 -3.54 120.40 123.09 1p5e s VAL 44 Ca 0.00 1.68 -0.23 0.00 0.00 0.00 0.00 61.98 63.43 1p5e s VAL 44 Cb 0.00 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1p5e s VAL 44 CO 0.00 -0.02 1.39 -2.16 0.00 0.00 0.00 175.10 174.31 1p5e s PRO 45 N 2.31 3.42 0.39 2.72 0.04 -1.26 -4.85 135.00 137.75 1p5e s PRO 45 Ca 0.54 2.32 0.10 0.00 0.04 0.00 0.00 61.00 63.99 1p5e s PRO 45 Cb -0.23 -2.45 0.78 0.00 0.04 0.00 0.00 34.50 32.64 1p5e s PRO 45 CO 0.20 -1.00 1.91 0.66 0.04 0.00 0.00 177.00 178.82 1p5e h SER 46 N 1.89 0.21 -0.76 6.66 4.64 -1.94 -2.11 113.55 122.14 1p5e h SER 46 Ca -0.51 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1p5e h SER 46 Cb 1.28 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1p5e h SER 46 CO 0.59 0.38 0.46 0.71 -0.87 0.00 0.00 176.83 178.10 1p5e h THR 47 N 0.22 1.22 -0.48 2.95 1.35 -1.91 -1.15 112.91 115.10 1p5e h THR 47 Ca 0.04 -0.47 -0.13 0.00 -0.55 0.00 0.00 66.41 65.31 1p5e h THR 47 Cb 0.38 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 1p5e h THR 47 CO 0.02 0.22 -0.20 0.00 -0.25 0.00 0.00 175.52 175.32 1p5e h ALA 48 N 1.25 0.67 -0.61 6.62 0.00 -1.70 0.30 119.26 125.78 1p5e h ALA 48 Ca 0.27 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1p5e h ALA 48 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1p5e h ALA 48 CO -0.05 0.64 0.40 0.82 0.00 0.00 0.00 179.25 181.05 1p5e h ILE 49 N 0.83 1.14 0.14 0.00 2.04 -1.23 -1.67 117.51 118.76 1p5e h ILE 49 Ca 0.11 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1p5e h ILE 49 Cb 0.78 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1p5e h ILE 49 CO 0.06 0.15 -0.07 0.03 0.00 0.00 0.00 178.15 178.32 1p5e h ARG 50 N 0.80 -0.18 -0.15 2.37 3.08 -1.08 -1.96 114.38 117.27 1p5e h ARG 50 Ca 0.23 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.34 1p5e h ARG 50 Cb -0.07 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 1p5e h ARG 50 CO -0.06 0.19 -0.30 1.49 -1.07 0.00 0.00 179.97 180.22 1p5e h GLU 51 N -0.59 -0.35 -0.08 0.04 4.81 -0.89 -0.57 114.58 116.95 1p5e h GLU 51 Ca -0.02 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1p5e h GLU 51 Cb 0.45 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1p5e h GLU 51 CO 0.03 -0.24 0.04 0.82 -0.73 0.00 0.00 179.01 178.93 1p5e h ILE 52 N -0.37 1.13 -0.34 2.32 2.04 -1.39 -0.10 117.51 120.80 1p5e h ILE 52 Ca 0.10 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1p5e h ILE 52 Cb 0.53 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1p5e h ILE 52 CO -0.35 0.11 0.18 0.77 0.00 0.00 0.00 178.15 178.86 1p5e h SER 53 N -0.01 0.43 -0.17 1.72 4.64 -1.18 -1.92 113.55 117.06 1p5e h SER 53 Ca 0.03 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.11 1p5e h SER 53 Cb 0.15 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1p5e h SER 53 CO -0.00 0.41 -0.38 -0.07 -0.87 0.00 0.00 176.83 175.92 1p5e h LEU 54 N 0.42 0.74 -1.29 5.97 3.38 -1.10 -3.04 115.31 120.39 1p5e h LEU 54 Ca 0.12 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1p5e h LEU 54 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1p5e h LEU 54 CO -0.02 1.04 -0.35 0.25 0.09 0.00 0.00 178.44 179.44 1p5e h LEU 55 N 0.58 0.00 -1.65 1.67 5.85 -0.85 -2.26 115.31 118.65 1p5e h LEU 55 Ca 0.05 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1p5e h LEU 55 Cb 0.91 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1p5e h LEU 55 CO 0.08 0.35 -0.20 0.11 -0.34 0.00 0.00 178.44 178.44 1p5e h LYS 56 N 0.00 0.00 0.00 1.25 1.57 -1.23 -2.92 116.57 115.24 1p5e h LYS 56 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1p5e h LYS 56 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1p5e h LYS 56 CO 0.05 0.20 -0.99 0.93 -0.57 0.00 0.00 179.45 179.07 1p5e h GLU 57 N 0.00 0.00 -3.94 3.15 5.08 -1.46 -3.43 114.58 113.98 1p5e h GLU 57 Ca -0.00 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.58 1p5e h GLU 57 Cb 0.42 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.42 1p5e h GLU 57 CO 0.03 0.17 0.65 -0.51 -1.00 0.00 0.00 179.01 178.34 1p5e s LEU 58 N -5.75 6.03 -0.52 1.33 1.43 -1.04 -4.96 118.68 115.19 1p5e s LEU 58 Ca -0.00 -3.29 -0.17 0.00 -1.03 0.00 0.00 54.13 49.65 1p5e s LEU 58 Cb 0.08 -2.26 0.10 0.00 0.03 0.00 0.00 46.19 44.14 1p5e s LEU 58 CO 0.78 -0.46 0.51 0.21 0.23 0.00 0.00 176.35 177.62 1p5e s ASN 59 N 1.87 6.18 -0.22 2.29 3.04 -1.26 -4.92 114.94 121.92 1p5e s ASN 59 Ca 0.32 -1.50 -0.21 0.00 0.04 0.00 0.00 52.86 51.52 1p5e s ASN 59 Cb -0.08 -2.22 0.06 0.00 -1.54 0.00 0.00 41.25 37.46 1p5e s ASN 59 CO -0.06 -0.83 0.60 -2.28 -3.04 0.00 0.00 177.10 171.48 1p5e s HIS 60 N 1.89 -0.65 0.66 0.43 2.46 -1.26 -5.05 115.29 113.76 1p5e s HIS 60 Ca 0.06 1.57 0.31 0.00 0.47 0.00 0.00 55.06 57.47 1p5e s HIS 60 Cb -0.26 0.23 1.69 0.00 -0.13 0.00 0.00 32.58 34.11 1p5e s HIS 60 CO 0.06 -0.32 1.97 -1.00 -2.47 0.00 0.00 174.74 172.97 1p5e h PRO 61 N 5.12 0.00 -0.43 2.88 0.13 -1.99 -2.11 132.00 135.59 1p5e h PRO 61 Ca -0.28 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.63 1p5e h PRO 61 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1p5e h PRO 61 CO 0.14 0.00 0.02 0.09 -0.23 0.00 0.00 178.00 178.02 1p5e n ASN 62 N -3.01 2.71 -3.90 1.44 5.03 -1.26 -4.84 115.26 111.42 1p5e n ASN 62 Ca -0.01 -3.73 -0.20 0.00 0.87 0.00 0.00 54.58 51.51 1p5e n ASN 62 Cb 0.37 -0.66 -0.16 0.00 -1.02 0.00 0.00 39.78 38.31 1p5e n ASN 62 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1p5e s ILE 63 N -3.24 0.56 0.19 2.41 1.01 -0.79 -0.75 121.20 120.59 1p5e s ILE 63 Ca 0.46 -0.15 -0.33 0.00 0.00 0.00 0.00 60.65 60.64 1p5e s ILE 63 Cb 0.41 -0.58 -0.15 0.00 0.01 0.00 0.00 42.46 42.15 1p5e s ILE 63 CO 0.02 0.23 1.28 0.55 0.00 0.00 0.00 174.94 177.02 1p5e n VAL 64 N 3.98 0.78 -3.11 2.92 3.14 0.14 -4.70 118.33 121.48 1p5e n VAL 64 Ca -0.25 -0.19 -0.40 0.00 -2.96 0.00 0.00 64.34 60.53 1p5e n VAL 64 Cb 0.51 -1.09 -0.06 0.00 -1.06 0.00 0.00 33.84 32.14 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 -0.23 4.15 -0.32 1.45 2.20 -1.26 -5.00 119.74 120.72 1p5e s LYS 65 Ca 0.73 0.58 -0.28 0.00 -0.36 0.00 0.00 55.97 56.63 1p5e s LYS 65 Cb -0.78 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 31.93 1p5e s LYS 65 CO 0.50 -0.35 1.05 -1.17 -0.36 0.00 0.00 175.35 175.02 1p5e s LEU 66 N 2.29 3.95 -0.08 5.43 2.96 -1.26 -1.82 118.68 130.15 1p5e s LEU 66 Ca 0.27 1.02 0.04 0.00 -0.22 0.00 0.00 54.13 55.24 1p5e s LEU 66 Cb -0.16 -3.50 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 1p5e s LEU 66 CO 0.09 -0.85 0.53 0.18 -1.32 0.00 0.00 176.35 174.98 1p5e n LEU 67 N 6.80 1.67 -3.66 -0.68 4.77 0.89 -5.00 117.00 121.79 1p5e n LEU 67 Ca 0.11 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 1p5e n LEU 67 Cb 0.47 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1p5e n LEU 67 CO 0.58 0.60 0.53 -0.62 -1.33 0.00 0.00 177.39 177.15 1p5e s ASP 68 N -6.52 -0.35 -0.10 -1.43 -1.08 -1.12 -4.99 116.67 101.09 1p5e s ASP 68 Ca -0.13 -0.30 -0.01 0.00 -0.52 0.00 0.00 52.55 51.59 1p5e s ASP 68 Cb 0.07 0.59 0.03 0.00 -1.46 0.00 0.00 42.92 42.16 1p5e s ASP 68 CO 0.80 -1.04 -0.03 -0.69 0.52 0.00 0.00 175.17 174.73 1p5e s VAL 69 N -3.62 0.67 -0.22 1.11 1.01 -1.26 -1.04 120.40 117.05 1p5e s VAL 69 Ca 0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1p5e s VAL 69 Cb -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1p5e s VAL 69 CO -0.02 0.26 0.06 -0.63 0.00 0.00 0.00 175.10 174.77 1p5e s ILE 70 N 1.85 4.44 -0.13 2.22 1.01 0.75 -4.97 121.20 126.36 1p5e s ILE 70 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1p5e s ILE 70 Cb -0.13 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1p5e s ILE 70 CO -0.07 0.39 0.17 -1.00 0.00 0.00 0.00 174.94 174.43 1p5e s HIS 71 N 1.10 3.56 0.23 3.97 3.76 -1.26 -1.45 115.29 125.20 1p5e s HIS 71 Ca 0.04 0.53 0.02 0.00 -0.15 0.00 0.00 55.06 55.50 1p5e s HIS 71 Cb -0.14 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 1p5e s HIS 71 CO 0.03 0.61 0.06 0.95 -0.85 0.00 0.00 174.74 175.54 1p5e s THR 72 N -0.66 0.66 0.52 1.30 -4.23 -0.67 -5.02 115.64 107.54 1p5e s THR 72 Ca 0.14 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.83 1p5e s THR 72 Cb -0.12 -2.45 0.29 0.00 1.34 0.00 0.00 72.50 71.56 1p5e s THR 72 CO 0.04 -0.18 2.12 -0.08 -0.54 0.00 0.00 174.62 175.98 1p5e h GLU 73 N 2.48 0.01 0.00 3.99 4.81 -2.02 -3.30 114.58 120.55 1p5e h GLU 73 Ca -0.38 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.72 1p5e h GLU 73 Cb 1.23 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1p5e h GLU 73 CO 0.62 0.01 -1.63 0.27 -0.73 0.00 0.00 179.01 177.55 1p5e n ASN 74 N -4.51 2.58 -3.93 1.04 0.23 -1.26 -4.84 115.26 104.58 1p5e n ASN 74 Ca -0.01 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.94 1p5e n ASN 74 Cb 0.18 0.92 -0.10 0.00 -2.08 0.00 0.00 39.78 38.69 1p5e n ASN 74 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1p5e s LYS 75 N -2.36 0.41 -0.17 -3.83 1.02 -1.25 -2.29 119.74 111.27 1p5e s LYS 75 Ca -0.05 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 1p5e s LYS 75 Cb 0.04 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 1p5e s LYS 75 CO 0.41 -0.09 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.49 1p5e s LEU 76 N -1.46 2.78 -0.25 3.17 2.96 -0.06 -1.67 118.68 124.15 1p5e s LEU 76 Ca -0.15 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1p5e s LEU 76 Cb -0.08 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1p5e s LEU 76 CO 0.00 0.09 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.80 1p5e s TYR 77 N 0.80 3.04 -0.21 5.38 2.02 -0.53 0.35 117.35 128.20 1p5e s TYR 77 Ca -0.04 -1.08 -0.17 0.00 -0.37 0.00 0.00 57.07 55.41 1p5e s TYR 77 Cb -0.15 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1p5e s TYR 77 CO 0.01 -0.59 0.47 -0.51 -1.57 0.00 0.00 175.55 173.36 1p5e s LEU 78 N 1.45 4.13 -0.30 -1.29 1.43 -0.36 -0.18 118.68 123.57 1p5e s LEU 78 Ca 0.04 0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 1p5e s LEU 78 Cb -0.16 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1p5e s LEU 78 CO -0.02 -0.16 0.29 -0.69 0.23 0.00 0.00 176.35 176.00 1p5e s VAL 79 N 1.63 5.24 0.12 -1.59 1.01 -0.21 -0.92 120.40 125.67 1p5e s VAL 79 Ca 0.22 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.50 1p5e s VAL 79 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1p5e s VAL 79 CO 0.09 0.12 -0.15 -0.36 0.00 0.00 0.00 175.10 174.80 1p5e s PHE 80 N 1.90 2.61 0.28 5.22 0.08 0.20 -0.07 117.98 128.20 1p5e s PHE 80 Ca 0.10 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 1p5e s PHE 80 Cb -0.16 -1.37 -0.12 0.00 -0.57 0.00 0.00 43.02 40.79 1p5e s PHE 80 CO 0.11 0.41 1.47 -0.85 -0.10 0.00 0.00 175.22 176.26 1p5e n GLU 81 N 0.71 2.34 -2.49 0.44 0.28 -0.76 -1.35 120.64 119.82 1p5e n GLU 81 Ca -0.15 0.83 -0.41 0.00 -0.16 0.00 0.00 57.16 57.27 1p5e n GLU 81 Cb 0.53 -2.53 -0.04 0.00 1.43 0.00 0.00 31.44 30.83 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 -0.22 3.53 0.26 -1.84 5.36 -1.21 -4.47 117.98 119.39 1p5e s PHE 82 Ca 0.64 1.49 0.10 0.00 -0.96 0.00 0.00 56.93 58.20 1p5e s PHE 82 Cb -0.57 -3.32 -0.05 0.00 -0.34 0.00 0.00 43.02 38.74 1p5e s PHE 82 CO 0.51 -0.83 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.77 1p5e s LEU 83 N 0.23 2.58 0.04 6.12 1.43 -1.26 -4.99 118.68 122.83 1p5e s LEU 83 Ca 0.53 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1p5e s LEU 83 Cb -0.29 -0.90 -0.33 0.00 0.03 0.00 0.00 46.19 44.70 1p5e s LEU 83 CO 0.33 -0.09 1.04 0.45 0.23 0.00 0.00 176.35 178.31 1p5e h HIS 84 N 2.36 0.80 -2.39 0.29 3.86 -1.40 -3.48 115.15 115.19 1p5e h HIS 84 Ca -0.39 -0.58 0.17 0.00 -1.16 0.00 0.00 60.37 58.40 1p5e h HIS 84 Cb 1.24 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.62 1p5e h HIS 84 CO 0.76 1.46 0.52 1.14 0.86 0.00 0.00 177.93 182.68 1p5e s GLN 85 N -2.62 1.24 0.48 2.45 -2.07 -1.10 -5.02 119.66 113.02 1p5e s GLN 85 Ca -0.07 -0.73 -0.04 0.00 -1.82 0.00 0.00 55.36 52.70 1p5e s GLN 85 Cb 0.05 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.34 1p5e s GLN 85 CO 0.92 -0.57 0.76 0.16 -1.32 0.00 0.00 175.29 175.23 1p5e s ASP 86 N -3.09 6.05 0.27 12.60 1.47 -1.26 0.03 116.67 132.73 1p5e s ASP 86 Ca 0.15 0.70 -0.02 0.00 1.18 0.00 0.00 52.55 54.56 1p5e s ASP 86 Cb -0.02 -1.98 0.37 0.00 -0.34 0.00 0.00 42.92 40.95 1p5e s ASP 86 CO 0.03 -0.66 1.84 0.25 0.68 0.00 0.00 175.17 177.31 1p5e h LEU 87 N 0.25 0.85 -0.22 2.11 5.85 0.44 -2.72 115.31 121.86 1p5e h LEU 87 Ca -0.47 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.16 1p5e h LEU 87 Cb 1.23 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1p5e h LEU 87 CO 0.61 0.78 -0.03 0.50 -0.34 0.00 0.00 178.44 179.96 1p5e h LYS 88 N 0.90 0.03 -0.28 1.25 1.63 -1.77 0.59 116.57 118.91 1p5e h LYS 88 Ca 0.21 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1p5e h LYS 88 Cb 0.22 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1p5e h LYS 88 CO -0.01 0.02 -0.13 0.87 -3.45 0.00 0.00 179.45 176.74 1p5e h LYS 89 N 0.03 0.48 -0.58 1.90 1.57 -1.86 -1.05 116.57 117.07 1p5e h LYS 89 Ca 0.11 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1p5e h LYS 89 Cb 0.15 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1p5e h LYS 89 CO -0.21 0.61 0.13 0.35 -0.57 0.00 0.00 179.45 179.76 1p5e h PHE 90 N 0.44 0.99 -0.41 -1.35 3.57 -1.13 -0.54 116.94 118.52 1p5e h PHE 90 Ca 0.08 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1p5e h PHE 90 Cb 0.50 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1p5e h PHE 90 CO 0.02 0.85 0.02 0.52 -2.23 0.00 0.00 178.31 177.48 1p5e h MET 91 N 0.84 0.71 -0.86 1.11 2.86 -0.52 -1.49 114.93 117.57 1p5e h MET 91 Ca 0.18 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1p5e h MET 91 Cb 0.37 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1p5e h MET 91 CO 0.00 0.78 0.55 -0.44 1.06 0.00 0.00 176.91 178.86 1p5e h ASP 92 N 0.54 1.02 0.33 1.22 3.32 -1.07 -0.04 116.42 121.74 1p5e h ASP 92 Ca 0.12 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1p5e h ASP 92 Cb 0.45 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1p5e h ASP 92 CO 0.02 0.76 -0.13 0.00 -1.72 0.00 0.00 179.24 178.16 1p5e h ALA 93 N 1.30 1.35 -0.74 3.45 0.00 -0.95 -2.35 119.26 121.32 1p5e h ALA 93 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1p5e h ALA 93 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1p5e h ALA 93 CO -0.06 0.17 0.00 0.43 0.00 0.00 0.00 179.25 179.78 1p5e n SER 94 N -3.75 4.08 -0.35 0.00 7.64 -0.17 -4.61 113.62 116.45 1p5e n SER 94 Ca -0.02 -2.05 0.13 0.00 1.01 0.00 0.00 58.87 57.94 1p5e n SER 94 Cb 0.24 -0.51 0.32 0.00 -1.01 0.00 0.00 64.21 63.25 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 4.35 1.66 0.05 -0.43 0.00 -0.60 0.13 119.26 124.42 1p5e h ALA 95 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 1p5e h ALA 95 Cb 1.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1p5e h ALA 95 CO 0.03 -0.04 -1.67 1.28 0.00 0.00 0.00 179.25 178.85 1p5e n LEU 96 N -4.76 2.22 0.12 0.00 4.77 -1.26 -4.43 117.00 113.66 1p5e n LEU 96 Ca 0.23 0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 56.50 1p5e n LEU 96 Cb 0.56 -1.02 0.13 0.00 -2.33 0.00 0.00 43.42 40.75 1p5e n LEU 96 CO 0.21 0.55 0.45 0.71 -1.33 0.00 0.00 177.39 177.99 1p5e h THR 97 N -0.52 1.46 0.00 -5.08 1.35 -1.83 -3.50 112.91 104.79 1p5e h THR 97 Ca -0.41 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.22 1p5e h THR 97 Cb 1.65 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1p5e h THR 97 CO -0.09 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1p5e n GLY 98 N 0.38 -1.42 3.39 5.82 0.00 0.43 -4.93 105.19 108.86 1p5e n GLY 98 Ca -0.01 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.86 3.48 0.35 -0.61 1.01 -1.26 -4.89 121.20 117.41 1p5e s ILE 99 Ca 0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.89 1p5e s ILE 99 Cb 0.00 -2.53 -0.12 0.00 0.01 0.00 0.00 42.46 39.82 1p5e s ILE 99 CO 0.00 0.47 1.16 -2.65 0.00 0.00 0.00 174.94 173.92 1p5e n PRO 100 N 4.06 1.77 -0.33 2.79 -0.02 -1.26 -4.80 135.00 137.20 1p5e n PRO 100 Ca -0.18 0.62 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 1p5e n PRO 100 Cb 0.52 -2.16 0.12 0.00 -0.02 0.00 0.00 33.50 31.96 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 2.17 0.96 -1.05 2.45 7.12 -1.99 -2.16 115.31 122.81 1p5e h LEU 101 Ca -0.44 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 57.63 1p5e h LEU 101 Cb 1.31 -0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 41.16 1p5e h LEU 101 CO 0.61 0.66 0.63 -0.65 -0.13 0.00 0.00 178.44 179.56 1p5e h PRO 102 N 1.12 1.08 -0.19 5.25 0.11 -1.99 -0.07 132.00 137.30 1p5e h PRO 102 Ca 0.36 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 1p5e h PRO 102 Cb 0.02 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1p5e h PRO 102 CO -0.12 0.71 0.01 1.25 -0.21 0.00 0.00 178.00 179.64 1p5e h LEU 103 N 1.11 0.32 -0.51 2.35 5.85 -1.77 -0.65 115.31 122.01 1p5e h LEU 103 Ca 0.43 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1p5e h LEU 103 Cb 0.23 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1p5e h LEU 103 CO -0.18 0.53 0.24 0.40 -0.34 0.00 0.00 178.44 179.09 1p5e h ILE 104 N 0.10 0.92 -0.02 4.05 2.04 -1.03 0.22 117.51 123.80 1p5e h ILE 104 Ca 0.06 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1p5e h ILE 104 Cb 0.36 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1p5e h ILE 104 CO 0.01 0.08 -0.09 0.50 0.00 0.00 0.00 178.15 178.65 1p5e h LYS 105 N 0.46 -0.15 -0.13 2.37 3.64 -0.94 -0.63 116.57 121.20 1p5e h LYS 105 Ca 0.23 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1p5e h LYS 105 Cb 0.17 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1p5e h LYS 105 CO -0.18 -0.10 0.04 1.03 -2.27 0.00 0.00 179.45 177.98 1p5e h SER 106 N -0.15 0.05 -0.42 4.20 0.87 -0.51 -0.01 113.55 117.57 1p5e h SER 106 Ca 0.04 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1p5e h SER 106 Cb 0.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1p5e h SER 106 CO -0.11 0.05 0.26 1.88 -0.53 0.00 0.00 176.83 178.39 1p5e h TYR 107 N 0.11 0.54 -0.69 2.24 0.05 -0.46 -0.41 116.97 118.36 1p5e h TYR 107 Ca 0.05 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1p5e h TYR 107 Cb 0.03 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1p5e h TYR 107 CO -0.10 0.36 0.33 1.25 -1.05 0.00 0.00 178.16 178.95 1p5e h LEU 108 N 0.56 0.90 -0.16 3.88 5.85 -0.91 -1.08 115.31 124.35 1p5e h LEU 108 Ca 0.15 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1p5e h LEU 108 Cb -0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1p5e h LEU 108 CO -0.03 0.78 0.00 0.15 -0.34 0.00 0.00 178.44 179.00 1p5e h PHE 109 N 0.96 0.00 -0.44 1.25 3.57 -0.55 -1.41 116.94 120.32 1p5e h PHE 109 Ca 0.24 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1p5e h PHE 109 Cb 0.11 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1p5e h PHE 109 CO 0.00 -0.02 0.00 1.96 -2.23 0.00 0.00 178.31 178.03 1p5e h GLN 110 N 0.06 0.71 -0.34 1.11 4.20 -0.86 -2.31 115.11 117.68 1p5e h GLN 110 Ca 0.08 -0.18 -0.16 0.00 0.06 0.00 0.00 58.65 58.45 1p5e h GLN 110 Cb 0.09 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1p5e h GLN 110 CO -0.12 0.73 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.30 1p5e h LEU 111 N 0.67 0.94 -1.43 1.46 3.38 -0.95 -1.77 115.31 117.60 1p5e h LEU 111 Ca 0.13 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1p5e h LEU 111 Cb 0.41 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1p5e h LEU 111 CO 0.02 1.23 -0.28 -0.07 0.09 0.00 0.00 178.44 179.42 1p5e h LEU 112 N 0.66 0.00 -0.06 1.67 3.38 -1.09 0.37 115.31 120.24 1p5e h LEU 112 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1p5e h LEU 112 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1p5e h LEU 112 CO 0.10 0.28 -0.31 1.56 0.09 0.00 0.00 178.44 180.16 1p5e h GLN 113 N 0.00 0.32 -0.95 1.13 4.20 -1.23 0.19 115.11 118.77 1p5e h GLN 113 Ca -0.00 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.45 1p5e h GLN 113 Cb 0.51 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1p5e h GLN 113 CO 0.04 0.91 0.62 0.78 -0.67 0.00 0.00 178.83 180.51 1p5e h GLY 114 N -0.19 1.35 0.89 3.46 0.00 -1.16 -1.69 103.07 105.74 1p5e h GLY 114 Ca -0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 1p5e h GLY 114 CO 0.06 0.50 -0.48 -2.00 0.00 0.00 0.00 176.54 174.63 1p5e h LEU 115 N 1.30 0.64 -0.94 3.11 5.85 -0.89 -2.01 115.31 122.37 1p5e h LEU 115 Ca 0.35 -0.62 0.09 0.00 0.84 0.00 0.00 57.88 58.55 1p5e h LEU 115 Cb -0.14 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.63 1p5e h LEU 115 CO -0.07 1.15 0.58 0.00 -0.34 0.00 0.00 178.44 179.75 1p5e h ALA 116 N 0.51 1.36 -0.38 1.25 0.00 -0.48 0.15 119.26 121.66 1p5e h ALA 116 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1p5e h ALA 116 Cb 1.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1p5e h ALA 116 CO 0.10 0.24 0.21 0.35 0.00 0.00 0.00 179.25 180.15 1p5e h PHE 117 N 0.98 0.53 0.19 0.00 3.57 -1.28 0.34 116.94 121.27 1p5e h PHE 117 Ca 0.44 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.94 1p5e h PHE 117 Cb 0.35 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1p5e h PHE 117 CO -0.02 0.42 -0.30 0.00 -2.23 0.00 0.00 178.31 176.17 1p5e h HIS 119 N -0.57 0.44 0.00 0.00 3.86 -0.67 -0.72 115.15 117.49 1p5e h HIS 119 Ca 0.01 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1p5e h HIS 119 Cb 0.56 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1p5e h HIS 119 CO -0.24 0.38 0.00 0.77 0.86 0.00 0.00 177.93 179.70 1p5e h SER 120 N 0.44 0.00 -0.42 2.45 0.02 -0.63 -2.60 113.55 112.80 1p5e h SER 120 Ca 0.11 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 1p5e h SER 120 Cb 0.16 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.61 1p5e h SER 120 CO -0.01 0.00 0.06 1.41 -1.14 0.00 0.00 176.83 177.15 1p5e n HIS 121 N -3.07 1.38 -3.28 3.45 8.25 -0.36 -4.97 115.22 116.62 1p5e n HIS 121 Ca 0.00 -1.27 -0.23 0.00 -0.26 0.00 0.00 57.72 55.96 1p5e n HIS 121 Cb 0.29 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 30.92 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 -0.74 -3.79 -4.39 -0.41 -4.01 -0.98 -4.94 116.66 97.40 1p5e n ARG 122 Ca 0.32 0.58 -0.33 0.00 -1.04 0.00 0.00 57.85 57.37 1p5e n ARG 122 Cb 1.08 -5.33 -0.15 0.00 -3.04 0.00 0.00 32.46 25.02 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 -2.99 2.56 0.05 8.89 1.01 -0.68 0.29 120.40 129.54 1p5e s VAL 123 Ca 0.38 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1p5e s VAL 123 Cb -0.19 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 1p5e s VAL 123 CO 0.46 0.51 0.47 -0.76 0.00 0.00 0.00 175.10 175.79 1p5e s LEU 124 N 0.99 4.45 -0.16 3.92 1.43 -0.21 -3.61 118.68 125.48 1p5e s LEU 124 Ca -0.02 1.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.94 1p5e s LEU 124 Cb -0.15 -2.83 -0.14 0.00 0.03 0.00 0.00 46.19 43.10 1p5e s LEU 124 CO -0.03 0.26 0.21 -0.74 0.23 0.00 0.00 176.35 176.28 1p5e h HIS 125 N 4.34 0.00 0.00 0.29 -0.00 -1.89 -2.20 115.15 115.68 1p5e h HIS 125 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.87 1p5e h HIS 125 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1p5e h HIS 125 CO 0.69 0.81 0.00 0.54 -0.00 0.00 0.00 177.93 179.96 1p5e n ARG 126 N -4.57 -0.48 -2.72 5.26 1.74 -1.26 -2.88 116.66 111.75 1p5e n ARG 126 Ca -0.16 0.12 -0.06 0.00 -0.77 0.00 0.00 57.85 56.98 1p5e n ARG 126 Cb 0.44 -3.66 0.06 0.00 -1.02 0.00 0.00 32.46 28.28 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 -0.24 0.69 -4.58 0.55 2.03 -1.26 -2.49 116.55 111.25 1p5e n ASP 127 Ca 0.00 -2.44 -0.42 0.00 0.52 0.00 0.00 54.79 52.45 1p5e n ASP 127 Cb 0.12 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 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 -3.41 3.40 0.07 -2.67 1.43 -1.26 -4.80 118.68 111.43 1p5e s LEU 128 Ca 0.25 0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1p5e s LEU 128 Cb 0.41 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1p5e s LEU 128 CO -0.02 -1.60 0.06 -1.59 0.23 0.00 0.00 176.35 173.44 1p5e s LYS 129 N 5.22 0.72 0.50 1.70 -2.85 -1.26 -4.75 119.74 119.02 1p5e s LYS 129 Ca 0.45 -1.13 0.18 0.00 -1.00 0.00 0.00 55.97 54.47 1p5e s LYS 129 Cb -0.08 0.26 1.24 0.00 -2.06 0.00 0.00 37.83 37.19 1p5e s LYS 129 CO 0.24 -0.18 2.06 -1.35 0.10 0.00 0.00 175.35 176.22 1p5e h PRO 130 N 2.98 0.11 0.00 1.78 0.11 -1.93 0.66 132.00 135.72 1p5e h PRO 130 Ca -0.34 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1p5e h PRO 130 Cb 1.17 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p5e h PRO 130 CO 0.62 0.07 -0.02 1.96 -0.21 0.00 0.00 178.00 180.42 1p5e h GLN 131 N 0.12 0.00 -0.40 1.05 7.50 -1.93 -1.90 115.11 119.54 1p5e h GLN 131 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 1p5e h GLN 131 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.97 1p5e h GLN 131 CO -0.02 0.02 0.00 0.09 -1.50 0.00 0.00 178.83 177.43 1p5e n ASN 132 N -3.13 3.17 -4.29 1.46 3.02 0.22 -4.82 115.26 110.88 1p5e n ASN 132 Ca 0.00 -1.95 -0.34 0.00 -0.03 0.00 0.00 54.58 52.25 1p5e n ASN 132 Cb 0.29 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.41 2.77 -0.04 3.41 1.43 -1.00 -1.53 118.68 122.31 1p5e s LEU 133 Ca 0.39 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1p5e s LEU 133 Cb 0.22 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1p5e s LEU 133 CO 0.30 0.01 -0.06 -0.76 0.23 0.00 0.00 176.35 176.07 1p5e s LEU 134 N 1.31 3.22 0.19 1.79 1.43 -0.68 0.07 118.68 126.00 1p5e s LEU 134 Ca 0.04 -0.05 0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1p5e s LEU 134 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1p5e s LEU 134 CO -0.04 0.33 -0.23 0.27 0.23 0.00 0.00 176.35 176.91 1p5e s ILE 135 N -0.89 2.28 0.48 -0.59 -4.36 0.10 -0.80 121.20 117.42 1p5e s ILE 135 Ca 0.14 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 1p5e s ILE 135 Cb -0.11 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 1p5e s ILE 135 CO 0.04 -0.14 0.14 0.54 0.24 0.00 0.00 174.94 175.76 1p5e s ASN 136 N -2.65 4.28 0.00 4.36 2.20 -0.93 -0.92 114.94 121.28 1p5e s ASN 136 Ca 0.20 -1.39 0.15 0.00 -0.94 0.00 0.00 52.86 50.87 1p5e s ASN 136 Cb -0.08 0.15 0.65 0.00 -2.00 0.00 0.00 41.25 39.97 1p5e s ASN 136 CO 0.09 -0.79 1.46 0.35 -2.94 0.00 0.00 177.10 175.27 1p5e n THR 137 N -1.34 0.92 1.11 0.54 -2.24 -1.26 -3.22 114.28 108.80 1p5e n THR 137 Ca -0.09 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1p5e n THR 137 Cb 0.66 -0.98 0.17 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.46 1.51 0.00 -0.78 1.02 -1.26 -4.55 120.64 115.11 1p5e n GLU 138 Ca 0.04 -1.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.02 1p5e n GLU 138 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1p5e n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p5e n GLY 139 N 1.35 0.90 3.86 0.62 0.00 -1.20 -4.62 105.19 106.10 1p5e n GLY 139 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 3.52 -0.01 4.61 0.00 -1.26 -4.83 121.76 121.78 1p5e s ALA 140 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1p5e s ALA 140 Cb 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1p5e s ALA 140 CO 0.00 0.46 -0.09 -1.50 0.00 0.00 0.00 175.76 174.63 1p5e s ILE 141 N -1.76 0.72 0.01 0.00 2.07 -1.26 -2.20 121.20 118.79 1p5e s ILE 141 Ca 0.46 -0.39 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1p5e s ILE 141 Cb -0.12 -0.61 -0.01 0.00 0.13 0.00 0.00 42.46 41.85 1p5e s ILE 141 CO 0.20 0.21 -0.10 -0.54 -1.91 0.00 0.00 174.94 172.79 1p5e s LYS 142 N -0.19 0.77 0.27 3.50 1.02 0.02 -4.61 119.74 120.52 1p5e s LYS 142 Ca 0.03 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.23 1p5e s LYS 142 Cb -0.04 -0.73 -0.10 0.00 -0.52 0.00 0.00 37.83 36.44 1p5e s LYS 142 CO -0.00 0.19 1.40 -0.51 -0.92 0.00 0.00 175.35 175.50 1p5e s LEU 143 N -0.63 4.40 0.34 3.17 1.43 0.07 -1.69 118.68 125.76 1p5e s LEU 143 Ca 0.01 2.67 0.07 0.00 -1.03 0.00 0.00 54.13 55.86 1p5e s LEU 143 Cb -0.05 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1p5e s LEU 143 CO 0.00 -0.65 0.26 0.00 0.23 0.00 0.00 176.35 176.19 1p5e s ALA 144 N -0.36 2.01 -0.46 4.21 0.00 -0.58 0.23 121.76 126.81 1p5e s ALA 144 Ca 0.56 -1.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.35 1p5e s ALA 144 Cb -0.41 1.39 0.03 0.00 0.00 0.00 0.00 23.12 24.13 1p5e s ALA 144 CO 0.46 -0.62 0.62 -3.47 0.00 0.00 0.00 175.76 172.75 1p5e n ASP 145 N -1.53 -7.25 -1.53 0.00 -0.08 -1.26 -4.82 116.55 100.08 1p5e n ASP 145 Ca 0.06 0.29 0.05 0.00 -1.51 0.00 0.00 54.79 53.68 1p5e n ASP 145 Cb 0.63 -4.34 0.30 0.00 2.34 0.00 0.00 41.12 40.05 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 -0.39 1.54 0.26 -0.67 3.01 -1.26 -4.47 117.46 115.47 1p5e n PHE 146 Ca 0.05 -0.53 0.10 0.00 1.01 0.00 0.00 57.45 58.07 1p5e n PHE 146 Cb 0.53 -0.40 0.67 0.00 -0.01 0.00 0.00 39.48 40.27 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 4.29 0.00 -1.82 1.37 0.00 -1.92 -2.18 103.07 102.82 1p5e h GLY 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1p5e h GLY 147 CO 0.36 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.94 1p5e n LEU 148 N -4.05 3.27 -4.80 3.11 4.77 -1.26 -4.60 117.00 113.45 1p5e n LEU 148 Ca -0.02 -1.92 -0.30 0.00 -0.03 0.00 0.00 56.01 53.74 1p5e n LEU 148 Cb 0.19 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1p5e n LEU 148 CO 0.32 0.80 0.71 0.00 -1.33 0.00 0.00 177.39 177.89 1p5e s ALA 149 N -1.03 2.27 -0.09 -1.18 0.00 -0.82 -4.58 121.76 116.33 1p5e s ALA 149 Ca 0.33 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 1p5e s ALA 149 Cb 0.17 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 20.22 1p5e s ALA 149 CO 0.23 -1.69 0.61 -0.98 0.00 0.00 0.00 175.76 173.93 1p5e s ARG 150 N -5.10 0.92 -0.18 0.00 1.70 -0.83 -4.87 118.95 110.60 1p5e s ARG 150 Ca 0.60 0.35 -0.29 0.00 -0.47 0.00 0.00 55.73 55.92 1p5e s ARG 150 Cb -0.15 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1p5e s ARG 150 CO 0.55 -0.25 1.34 0.00 -1.08 0.00 0.00 175.30 175.86 1p5e s ALA 151 N -0.82 3.58 0.45 7.88 0.00 -1.26 -1.05 121.76 130.55 1p5e s ALA 151 Ca -0.09 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1p5e s ALA 151 Cb -0.02 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1p5e s ALA 151 CO 0.07 -1.37 0.66 -0.59 0.00 0.00 0.00 175.76 174.54 1p5e s PHE 152 N 3.85 3.14 0.45 0.00 -0.71 0.15 -4.97 117.98 119.89 1p5e s PHE 152 Ca 0.58 0.13 0.07 0.00 -1.04 0.00 0.00 56.93 56.67 1p5e s PHE 152 Cb -0.22 -2.36 -0.01 0.00 -1.21 0.00 0.00 43.02 39.22 1p5e s PHE 152 CO 0.19 -0.41 0.36 0.20 -1.34 0.00 0.00 175.22 174.22 1p5e s GLY 153 N -4.25 2.22 -0.23 1.99 0.00 -1.26 -4.88 107.32 100.91 1p5e s GLY 153 Ca 0.50 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.43 1p5e s GLY 153 CO 0.37 -1.80 0.03 0.14 0.00 0.00 0.00 173.10 171.84 1p5e s VAL 154 N -2.58 0.84 0.69 1.40 1.01 -1.26 -2.03 120.40 118.48 1p5e s VAL 154 Ca 0.44 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1p5e s VAL 154 Cb -0.02 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1p5e s VAL 154 CO 0.26 -0.29 1.06 -2.16 0.00 0.00 0.00 175.10 173.96 1p5e s PRO 155 N 1.69 2.97 0.53 2.72 0.04 -1.26 -5.12 135.00 136.58 1p5e s PRO 155 Ca 0.00 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 1p5e s PRO 155 Cb -0.18 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1p5e s PRO 155 CO -0.11 -1.05 1.26 0.14 0.04 0.00 0.00 177.00 177.27 1p5e s VAL 156 N -3.09 2.52 0.55 -0.36 -7.23 -0.86 -5.06 120.40 106.87 1p5e s VAL 156 Ca 0.58 0.37 0.07 0.00 -1.81 0.00 0.00 61.98 61.20 1p5e s VAL 156 Cb -0.13 -3.18 0.07 0.00 0.56 0.00 0.00 36.38 33.70 1p5e s VAL 156 CO 0.55 -0.02 0.62 -2.11 -0.31 0.00 0.00 175.10 173.82 1p5e n ARG 157 N -1.03 0.65 -1.94 4.82 1.85 -1.26 -4.99 116.66 114.76 1p5e n ARG 157 Ca 0.10 -3.13 -0.42 0.00 -1.00 0.00 0.00 57.85 53.40 1p5e n ARG 157 Cb 0.47 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.85 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 -2.53 3.10 -0.02 8.89 2.01 -1.26 -4.70 115.64 121.12 1p5e s THR 158 Ca 0.47 0.51 -0.07 0.00 0.31 0.00 0.00 61.69 62.91 1p5e s THR 158 Cb -0.04 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1p5e s THR 158 CO 0.30 -0.01 -0.14 -1.22 -0.69 0.00 0.00 174.62 172.87 1p5e n TYR 159 N 5.73 0.00 -4.19 4.92 4.01 -1.26 -5.11 117.16 121.26 1p5e n TYR 159 Ca 0.16 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.79 1p5e n TYR 159 Cb 0.41 -0.19 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 1p5e n TYR 159 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1p5e s HIS 161 N -2.24 0.98 -1.62 -0.72 2.46 -1.26 -5.06 115.29 107.82 1p5e s HIS 161 Ca -0.11 -0.95 -0.01 0.00 0.47 0.00 0.00 55.06 54.46 1p5e s HIS 161 Cb 0.02 -0.56 0.00 0.00 -0.13 0.00 0.00 32.58 31.91 1p5e s HIS 161 CO 0.17 -0.18 0.10 0.39 -2.47 0.00 0.00 174.74 172.75 1p5e n GLU 162 N -0.10 -2.29 -1.44 2.88 1.02 -1.26 -4.98 120.64 114.47 1p5e n GLU 162 Ca -0.10 0.92 -0.29 0.00 -0.02 0.00 0.00 57.16 57.67 1p5e n GLU 162 Cb 0.62 -5.61 0.15 0.00 -0.02 0.00 0.00 31.44 26.58 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 -2.99 1.99 0.16 2.62 -7.23 -1.26 -4.91 120.40 108.78 1p5e s VAL 163 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1p5e s VAL 163 Cb -0.02 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1p5e s VAL 163 CO 0.07 0.00 0.00 0.52 -0.31 0.00 0.00 175.10 175.38 1p5e n VAL 164 N -3.90 -4.82 -1.59 1.32 0.31 -1.04 -4.86 118.33 103.74 1p5e n VAL 164 Ca 0.06 1.45 -0.52 0.00 -0.01 0.00 0.00 64.34 65.33 1p5e n VAL 164 Cb 0.59 -2.73 -0.06 0.00 -0.91 0.00 0.00 33.84 30.73 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 0.31 0.03 -0.31 2.52 -1.04 -1.26 -4.60 114.28 109.94 1p5e n THR 165 Ca 0.00 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 1p5e n THR 165 Cb 0.00 -0.86 -0.05 0.00 -1.82 0.00 0.00 70.33 67.60 1p5e n THR 165 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1p5e n LEU 166 N 2.55 -0.71 0.10 -4.42 7.94 -1.26 -0.52 117.00 120.68 1p5e n LEU 166 Ca 0.18 1.31 0.20 0.00 -1.11 0.00 0.00 56.01 56.60 1p5e n LEU 166 Cb 0.20 -0.20 0.75 0.00 0.53 0.00 0.00 43.42 44.69 1p5e n LEU 166 CO 0.62 -1.10 1.18 -0.50 -1.11 0.00 0.00 177.39 176.48 1p5e h TRP 167 N 0.00 0.00 -0.23 1.96 4.06 -1.87 -0.83 115.95 119.05 1p5e h TRP 167 Ca 0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.10 1p5e h TRP 167 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 1p5e h TRP 167 CO -0.74 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 174.80 1p5e n TYR 168 N -3.70 0.30 -2.53 0.49 4.01 0.32 -4.57 117.16 111.47 1p5e n TYR 168 Ca 0.07 -0.35 -0.42 0.00 -0.16 0.00 0.00 57.90 57.04 1p5e n TYR 168 Cb 0.61 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.58 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 -0.96 4.54 0.62 -0.72 3.52 -0.32 -4.00 118.95 121.63 1p5e s ARG 169 Ca 0.18 1.66 -0.16 0.00 -0.13 0.00 0.00 55.73 57.29 1p5e s ARG 169 Cb 0.10 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1p5e s ARG 169 CO 0.14 -0.05 1.09 0.00 -0.81 0.00 0.00 175.30 175.67 1p5e s ALA 170 N 0.44 2.62 0.32 6.12 0.00 -1.26 -4.90 121.76 125.11 1p5e s ALA 170 Ca 0.53 0.50 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1p5e s ALA 170 Cb -0.27 -3.28 0.61 0.00 0.00 0.00 0.00 23.12 20.18 1p5e s ALA 170 CO 0.31 -1.00 1.91 -1.00 0.00 0.00 0.00 175.76 175.99 1p5e h PRO 171 N 0.35 0.90 0.00 0.00 0.13 -1.96 -1.88 132.00 129.55 1p5e h PRO 171 Ca -0.47 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1p5e h PRO 171 Cb 1.23 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1p5e h PRO 171 CO 0.56 0.60 -0.06 1.05 -0.23 0.00 0.00 178.00 179.92 1p5e h GLU 172 N 0.93 0.00 0.19 0.86 9.09 -1.93 -1.17 114.58 122.55 1p5e h GLU 172 Ca 0.39 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.49 1p5e h GLU 172 Cb 0.30 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.43 1p5e h GLU 172 CO -0.15 0.06 -1.36 0.82 0.05 0.00 0.00 179.01 178.42 1p5e h ILE 173 N 0.00 1.33 -0.55 -1.06 1.08 -1.73 -1.58 117.51 115.00 1p5e h ILE 173 Ca -0.00 -2.71 -0.09 0.00 -0.39 0.00 0.00 64.86 61.67 1p5e h ILE 173 Cb 0.12 2.92 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 1p5e h ILE 173 CO 0.01 0.81 -0.02 -0.07 -0.69 0.00 0.00 178.15 178.19 1p5e h LEU 174 N 0.17 0.94 -0.16 1.44 3.38 -0.97 -2.37 115.31 117.73 1p5e h LEU 174 Ca -0.21 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1p5e h LEU 174 Cb 2.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1p5e h LEU 174 CO 0.25 1.01 -0.03 0.18 0.09 0.00 0.00 178.44 179.93 1p5e n LEU 175 N -4.18 0.29 -2.49 1.67 4.77 -0.49 -4.94 117.00 111.62 1p5e n LEU 175 Ca 0.03 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 1p5e n LEU 175 Cb 0.34 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1p5e n LEU 175 CO 0.43 0.05 0.09 0.61 -1.33 0.00 0.00 177.39 177.25 1p5e n GLY 176 N 1.17 -0.04 3.76 -0.72 0.00 -0.89 -3.27 105.19 105.20 1p5e n GLY 176 Ca 0.18 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 1.02 0.45 -6.59 0.00 3.64 -1.95 -3.44 116.57 109.71 1p5e h LYS 178 Ca -0.50 -0.03 -0.70 0.00 -1.27 0.00 0.00 60.65 58.15 1p5e h LYS 178 Cb 1.29 -0.10 -0.28 0.00 -0.41 0.00 0.00 32.23 32.72 1p5e h LYS 178 CO 0.56 0.30 -0.87 0.71 -2.27 0.00 0.00 179.45 177.88 1p5e s TYR 179 N -6.16 2.38 0.05 1.91 2.02 -1.26 -4.38 117.35 111.92 1p5e s TYR 179 Ca -0.13 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.16 1p5e s TYR 179 Cb 0.11 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1p5e s TYR 179 CO 0.72 0.02 -0.00 1.52 -1.57 0.00 0.00 175.55 176.24 1p5e s TYR 180 N -0.67 0.46 0.00 2.71 -0.85 -1.26 -5.02 117.35 112.73 1p5e s TYR 180 Ca 0.11 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 55.67 1p5e s TYR 180 Cb -0.10 -0.34 0.00 0.00 0.38 0.00 0.00 41.96 41.90 1p5e s TYR 180 CO -0.00 -0.39 0.00 0.45 -1.52 0.00 0.00 175.55 174.09 1p5e n SER 181 N 0.15 1.01 0.32 -0.18 2.88 -1.26 -4.91 113.62 111.64 1p5e n SER 181 Ca -0.15 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.60 1p5e n SER 181 Cb 0.61 0.00 1.09 0.00 -0.75 0.00 0.00 64.21 65.16 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 0.13 0.00 2.46 1.35 -1.98 -1.69 112.91 113.18 1p5e h THR 182 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1p5e h THR 182 Cb 0.00 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1p5e h THR 182 CO 0.00 0.00 -0.12 0.00 -0.25 0.00 0.00 175.52 175.15 1p5e h ALA 183 N 1.90 1.17 -0.41 6.62 0.00 -1.94 -2.46 119.26 124.14 1p5e h ALA 183 Ca 0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1p5e h ALA 183 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1p5e h ALA 183 CO -0.00 0.15 -0.15 -0.39 0.00 0.00 0.00 179.25 178.86 1p5e h VAL 184 N 0.00 1.26 -0.24 0.00 -1.51 -1.70 -1.78 116.25 112.28 1p5e h VAL 184 Ca -0.00 -1.22 -0.15 0.00 -1.23 0.00 0.00 66.70 64.10 1p5e h VAL 184 Cb 0.42 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1p5e h VAL 184 CO 0.02 0.41 -0.46 0.44 -1.23 0.00 0.00 177.57 176.74 1p5e h ASP 185 N 0.68 0.67 -0.54 4.19 3.32 -1.63 -2.85 116.42 120.26 1p5e h ASP 185 Ca 0.11 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1p5e h ASP 185 Cb 0.63 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1p5e h ASP 185 CO 0.04 1.03 0.17 0.40 -1.72 0.00 0.00 179.24 179.16 1p5e h ILE 186 N 0.50 1.24 -0.12 0.35 1.08 -1.35 -1.88 117.51 117.32 1p5e h ILE 186 Ca 0.03 -0.80 0.05 0.00 -0.39 0.00 0.00 64.86 63.75 1p5e h ILE 186 Cb 0.99 0.73 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 1p5e h ILE 186 CO 0.09 0.30 -0.30 -0.25 -0.69 0.00 0.00 178.15 177.30 1p5e h TRP 187 N 0.75 -0.83 -0.46 1.37 2.91 -1.24 -0.78 115.95 117.67 1p5e h TRP 187 Ca 0.17 0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.31 1p5e h TRP 187 Cb 0.28 0.38 -0.07 0.00 -0.51 0.00 0.00 29.16 29.25 1p5e h TRP 187 CO 0.02 -0.38 0.06 0.77 -1.03 0.00 0.00 178.44 177.87 1p5e h SER 188 N -0.38 -0.07 -0.33 2.65 0.02 -1.22 0.12 113.55 114.34 1p5e h SER 188 Ca 0.10 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1p5e h SER 188 Cb 0.53 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1p5e h SER 188 CO -0.34 -0.00 0.22 -0.07 -1.14 0.00 0.00 176.83 175.50 1p5e h LEU 189 N 0.18 0.39 0.39 5.07 3.38 -1.11 0.13 115.31 123.75 1p5e h LEU 189 Ca 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1p5e h LEU 189 Cb 0.31 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1p5e h LEU 189 CO -0.33 0.29 -0.18 1.23 0.09 0.00 0.00 178.44 179.54 1p5e h GLY 190 N 0.47 -0.54 0.29 0.83 0.00 0.68 0.13 103.07 104.93 1p5e h GLY 190 Ca 0.12 0.20 0.13 0.00 0.00 0.00 0.00 47.33 47.78 1p5e h GLY 190 CO -0.03 -0.20 0.40 0.00 0.00 0.00 0.00 176.54 176.72 1p5e h ILE 192 N 0.60 1.25 0.21 0.00 2.04 -0.49 -1.76 117.51 119.35 1p5e h ILE 192 Ca 0.42 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1p5e h ILE 192 Cb 0.56 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1p5e h ILE 192 CO -0.34 0.37 -0.10 0.15 0.00 0.00 0.00 178.15 178.23 1p5e h PHE 193 N 0.69 -0.26 -0.96 1.37 3.57 -0.11 -0.70 116.94 120.53 1p5e h PHE 193 Ca 0.13 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1p5e h PHE 193 Cb 0.51 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 1p5e h PHE 193 CO 0.03 -0.12 0.61 0.00 -2.23 0.00 0.00 178.31 176.60 1p5e h ALA 194 N 0.44 1.38 -0.32 2.41 0.00 -1.34 -2.55 119.26 119.28 1p5e h ALA 194 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1p5e h ALA 194 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1p5e h ALA 194 CO 0.05 0.31 -0.27 1.49 0.00 0.00 0.00 179.25 180.82 1p5e h GLU 195 N 1.04 0.64 -0.10 0.00 4.81 -0.98 -2.50 114.58 117.49 1p5e h GLU 195 Ca 0.44 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1p5e h GLU 195 Cb 0.30 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1p5e h GLU 195 CO -0.21 0.85 -0.10 0.52 -0.73 0.00 0.00 179.01 179.34 1p5e h MET 196 N 0.56 0.15 0.06 1.92 2.86 -0.72 0.55 114.93 120.31 1p5e h MET 196 Ca 0.07 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1p5e h MET 196 Cb 0.75 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1p5e h MET 196 CO 0.06 0.26 -0.03 0.28 1.06 0.00 0.00 176.91 178.54 1p5e h VAL 197 N 0.15 1.24 0.00 -2.22 2.07 -1.29 -3.37 116.25 112.84 1p5e h VAL 197 Ca 0.03 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1p5e h VAL 197 Cb 0.27 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1p5e h VAL 197 CO 0.02 0.34 -0.85 0.35 0.02 0.00 0.00 177.57 177.45 1p5e n THR 198 N -4.81 0.26 -2.18 2.57 -2.24 -0.98 -4.82 114.28 102.07 1p5e n THR 198 Ca -0.08 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1p5e n THR 198 Cb 0.31 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1p5e n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1p5e n ARG 199 N -2.04 -1.75 -4.01 -0.78 1.74 0.19 -4.99 116.66 105.01 1p5e n ARG 199 Ca 0.02 0.91 -0.12 0.00 -0.77 0.00 0.00 57.85 57.90 1p5e n ARG 199 Cb 0.44 -5.47 -0.12 0.00 -1.02 0.00 0.00 32.46 26.29 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 -4.64 0.34 0.39 5.56 1.70 -1.24 -4.87 118.95 116.19 1p5e s ARG 200 Ca 0.00 -0.50 -0.25 0.00 -0.47 0.00 0.00 55.73 54.50 1p5e s ARG 200 Cb 0.00 -0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 34.16 1p5e s ARG 200 CO 0.00 0.01 1.06 0.00 -1.08 0.00 0.00 175.30 175.29 1p5e n ALA 201 N 1.98 0.32 0.05 7.88 0.00 -1.26 -4.38 120.51 125.10 1p5e n ALA 201 Ca -0.20 0.28 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 1p5e n ALA 201 Cb 0.56 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.78 1p5e n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1p5e h LEU 202 N 1.78 0.62 -6.72 0.00 5.85 -1.92 -3.40 115.31 111.53 1p5e h LEU 202 Ca -0.44 -0.86 -0.61 0.00 0.84 0.00 0.00 57.88 56.82 1p5e h LEU 202 Cb 1.33 -0.20 -0.40 0.00 0.37 0.00 0.00 40.66 41.76 1p5e h LEU 202 CO 0.58 1.42 -0.75 0.49 -0.34 0.00 0.00 178.44 179.84 1p5e n PHE 203 N -4.04 1.46 -2.03 1.25 3.72 -1.26 -5.01 117.46 111.54 1p5e n PHE 203 Ca -0.13 -3.87 -0.42 0.00 -0.05 0.00 0.00 57.45 52.97 1p5e n PHE 203 Cb 0.84 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 2.25 3.26 -2.38 -1.08 -0.04 -1.26 -4.48 135.00 131.27 1p5e n PRO 204 Ca 0.24 -3.07 -0.35 0.00 -0.04 0.00 0.00 63.50 60.28 1p5e n PRO 204 Cb 0.41 -3.10 -0.02 0.00 -0.04 0.00 0.00 33.50 30.76 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 1.98 2.65 -0.02 0.55 0.00 -1.26 -4.96 107.32 106.26 1p5e s GLY 205 Ca 0.43 0.77 0.11 0.00 0.00 0.00 0.00 44.72 46.04 1p5e s GLY 205 CO -0.04 1.15 1.28 2.09 0.00 0.00 0.00 173.10 177.58 1p5e n ASP 206 N -0.84 3.05 -3.78 1.64 5.68 -1.26 -4.80 116.55 116.24 1p5e n ASP 206 Ca 0.09 -2.12 -0.08 0.00 -0.50 0.00 0.00 54.79 52.18 1p5e n ASP 206 Cb 0.50 -0.27 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 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 -1.11 -0.30 0.26 -1.12 1.04 -1.26 -5.02 113.70 106.19 1p5e s SER 207 Ca 0.25 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 1p5e s SER 207 Cb 0.15 0.68 0.31 0.00 0.10 0.00 0.00 66.02 67.26 1p5e s SER 207 CO 0.15 -1.24 1.92 -0.33 0.98 0.00 0.00 173.24 174.72 1p5e h GLU 208 N 2.04 1.22 -0.11 4.02 5.08 -1.99 -1.33 114.58 123.51 1p5e h GLU 208 Ca -0.23 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 1p5e h GLU 208 Cb 1.26 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 30.25 1p5e h GLU 208 CO 0.28 0.84 -0.44 0.97 -1.00 0.00 0.00 179.01 179.66 1p5e h ILE 209 N 1.25 1.37 -0.89 3.13 2.10 -1.98 -2.30 117.51 120.19 1p5e h ILE 209 Ca 0.33 -1.76 0.00 0.00 1.08 0.00 0.00 64.86 64.51 1p5e h ILE 209 Cb -0.09 2.17 -0.04 0.00 -1.09 0.00 0.00 36.82 37.77 1p5e h ILE 209 CO -0.07 0.53 0.56 -0.78 -1.08 0.00 0.00 178.15 177.31 1p5e h ASP 210 N 0.08 1.05 -0.35 2.19 3.58 -1.94 -0.86 116.42 120.17 1p5e h ASP 210 Ca -0.02 -0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.42 1p5e h ASP 210 Cb 1.07 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 1p5e h ASP 210 CO 0.09 0.79 0.09 -0.61 -2.88 0.00 0.00 179.24 176.72 1p5e h GLN 211 N 1.21 0.21 -0.50 0.28 5.75 -1.23 -1.12 115.11 119.72 1p5e h GLN 211 Ca 0.32 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.73 1p5e h GLN 211 Cb -0.08 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 1p5e h GLN 211 CO -0.06 0.14 -0.01 1.25 -2.65 0.00 0.00 178.83 177.50 1p5e h LEU 212 N 0.22 0.88 -0.93 -2.39 5.85 -0.77 -2.34 115.31 115.83 1p5e h LEU 212 Ca 0.16 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1p5e h LEU 212 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1p5e h LEU 212 CO -0.19 0.98 -0.11 -0.26 -0.34 0.00 0.00 178.44 178.52 1p5e h PHE 213 N 0.76 0.72 -0.81 1.25 -1.00 -1.05 -0.59 116.94 116.21 1p5e h PHE 213 Ca 0.14 -0.12 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 1p5e h PHE 213 Cb 0.53 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.87 1p5e h PHE 213 CO 0.04 0.75 0.34 0.00 -1.61 0.00 0.00 178.31 177.82 1p5e h ARG 214 N 0.61 1.20 -0.28 1.51 3.08 -0.97 0.19 114.38 119.73 1p5e h ARG 214 Ca 0.11 -0.21 -0.18 0.00 0.07 0.00 0.00 59.98 59.77 1p5e h ARG 214 Cb 0.54 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1p5e h ARG 214 CO 0.03 0.96 -0.53 0.82 -1.07 0.00 0.00 179.97 180.19 1p5e h ILE 215 N 1.18 1.28 -0.30 2.04 2.04 -1.15 -3.14 117.51 119.47 1p5e h ILE 215 Ca 0.27 -1.72 -0.10 0.00 1.00 0.00 0.00 64.86 64.31 1p5e h ILE 215 Cb 0.20 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1p5e h ILE 215 CO -0.03 0.56 -0.22 -0.26 0.00 0.00 0.00 178.15 178.21 1p5e h PHE 216 N 0.62 0.79 0.00 1.37 0.04 -0.75 -2.00 116.94 117.01 1p5e h PHE 216 Ca 0.02 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1p5e h PHE 216 Cb 1.11 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1p5e h PHE 216 CO 0.06 0.93 0.00 0.07 -0.60 0.00 0.00 178.31 178.78 1p5e h ARG 217 N 0.42 0.00 0.01 1.51 0.11 -0.70 -2.56 114.38 113.17 1p5e h ARG 217 Ca 0.06 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.76 1p5e h ARG 217 Cb 0.77 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.78 1p5e h ARG 217 CO 0.06 0.00 -2.35 2.41 0.10 0.00 0.00 179.97 180.19 1p5e n THR 218 N -2.80 1.49 -0.00 0.08 -1.04 -1.10 -4.68 114.28 106.23 1p5e n THR 218 Ca -0.01 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1p5e n THR 218 Cb 0.18 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 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 -3.10 0.24 0.00 -4.42 4.77 -0.77 -4.90 117.00 108.83 1p5e n LEU 219 Ca -0.38 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1p5e n LEU 219 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1p5e n LEU 219 CO 0.35 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1p5e n GLY 220 N 0.74 0.25 3.64 -0.72 0.00 -0.97 -4.95 105.19 103.19 1p5e n GLY 220 Ca 0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 0.00 -0.61 2.61 2.01 -1.24 -4.42 115.64 113.98 1p5e s THR 221 Ca 0.00 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1p5e s THR 221 Cb 0.00 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.40 1p5e s THR 221 CO 0.00 0.00 2.48 -0.81 -0.69 0.00 0.00 174.62 175.60 1p5e n PRO 222 N 3.79 0.79 -2.72 4.92 -0.04 -1.26 -4.62 135.00 135.86 1p5e n PRO 222 Ca -0.18 -0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.02 1p5e n PRO 222 Cb 0.58 -3.03 0.07 0.00 -0.04 0.00 0.00 33.50 31.08 1p5e n PRO 222 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1p5e s ASP 223 N 11.43 4.86 0.33 3.54 1.47 -1.26 -4.84 116.67 132.20 1p5e s ASP 223 Ca 1.06 -0.35 0.25 0.00 1.18 0.00 0.00 52.55 54.69 1p5e s ASP 223 Cb -0.41 -0.26 1.19 0.00 -0.34 0.00 0.00 42.92 43.10 1p5e s ASP 223 CO 0.31 -1.47 1.75 -0.33 0.68 0.00 0.00 175.17 176.11 1p5e h GLU 224 N -0.13 0.00 0.08 2.11 4.39 -1.93 0.15 114.58 119.25 1p5e h GLU 224 Ca -0.37 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.09 1p5e h GLU 224 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1p5e h GLU 224 CO 0.44 0.00 -1.26 -0.24 -1.16 0.00 0.00 179.01 176.80 1p5e h VAL 225 N 0.00 1.07 0.00 3.13 3.04 -1.98 -3.22 116.25 118.28 1p5e h VAL 225 Ca 0.00 -2.34 -0.07 0.00 -1.01 0.00 0.00 66.70 63.28 1p5e h VAL 225 Cb 0.19 2.67 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 1p5e h VAL 225 CO 0.00 0.62 -0.38 1.62 -1.01 0.00 0.00 177.57 178.42 1p5e h VAL 226 N -0.51 0.50 -1.77 1.51 3.04 -1.88 -3.42 116.25 113.73 1p5e h VAL 226 Ca -0.29 -1.72 -0.18 0.00 -1.01 0.00 0.00 66.70 63.50 1p5e h VAL 226 Cb 1.59 2.22 -0.29 0.00 -2.01 0.00 0.00 31.29 32.81 1p5e h VAL 226 CO -0.01 0.29 -0.52 0.86 -1.01 0.00 0.00 177.57 177.18 1p5e s TRP 227 N -3.06 -0.93 0.21 3.17 -0.00 0.51 -4.24 118.94 114.59 1p5e s TRP 227 Ca 0.05 0.45 -0.30 0.00 -0.00 0.00 0.00 56.10 56.29 1p5e s TRP 227 Cb 0.07 -0.12 -0.09 0.00 -0.00 0.00 0.00 33.47 33.33 1p5e s TRP 227 CO 0.72 -0.91 1.41 -2.14 -0.00 0.00 0.00 176.95 176.04 1p5e s PRO 228 N 2.54 4.30 -0.22 5.86 0.02 -1.22 -3.85 135.00 142.43 1p5e s PRO 228 Ca 0.11 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.33 1p5e s PRO 228 Cb -0.13 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 1p5e s PRO 228 CO -0.26 -0.39 0.19 0.41 -0.33 0.00 0.00 177.00 176.62 1p5e n GLY 229 N 2.54 0.48 0.12 0.52 0.00 -1.26 -5.02 105.19 102.57 1p5e n GLY 229 Ca 0.08 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1p5e n GLY 229 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p5e n VAL 230 N -1.86 1.47 -0.29 1.61 0.24 -1.26 -4.53 118.33 113.71 1p5e n VAL 230 Ca -0.02 -0.65 -0.01 0.00 -2.04 0.00 0.00 64.34 61.62 1p5e n VAL 230 Cb 0.53 -1.16 0.12 0.00 -1.47 0.00 0.00 33.84 31.85 1p5e n VAL 230 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1p5e h THR 231 N 0.00 1.07 -0.59 3.34 1.35 -1.93 -3.32 112.91 112.83 1p5e h THR 231 Ca -0.56 -0.33 -0.70 0.00 -0.55 0.00 0.00 66.41 64.27 1p5e h THR 231 Cb 2.00 0.04 -0.07 0.00 -1.73 0.00 0.00 68.15 68.39 1p5e h THR 231 CO -0.05 0.17 2.55 -1.20 -0.25 0.00 0.00 175.52 176.74 1p5e n SER 232 N -4.63 4.51 -3.76 5.36 7.64 -1.26 -4.85 113.62 116.63 1p5e n SER 232 Ca 0.11 -2.90 -0.13 0.00 1.01 0.00 0.00 58.87 56.96 1p5e n SER 232 Cb 0.14 -1.69 -0.13 0.00 -1.01 0.00 0.00 64.21 61.52 1p5e n SER 232 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1p5e s MET 233 N 3.51 0.22 0.62 1.43 1.75 -1.25 -5.06 119.30 120.52 1p5e s MET 233 Ca 0.50 0.42 0.40 0.00 -1.25 0.00 0.00 55.69 55.75 1p5e s MET 233 Cb 0.08 -0.01 2.15 0.00 2.84 0.00 0.00 34.83 39.89 1p5e s MET 233 CO 0.00 -0.10 2.21 -1.35 -0.65 0.00 0.00 175.02 175.13 1p5e h PRO 234 N 6.56 0.00 -0.00 4.11 0.11 -1.82 -2.67 132.00 138.29 1p5e h PRO 234 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1p5e h PRO 234 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p5e h PRO 234 CO 0.37 0.00 -0.05 -0.25 -0.21 0.00 0.00 178.00 177.87 1p5e n ASP 235 N -2.93 0.38 -4.67 -2.05 8.00 -1.20 -4.99 116.55 109.08 1p5e n ASP 235 Ca -0.03 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.36 1p5e n ASP 235 Cb 0.11 0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 41.89 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 -0.83 2.25 -0.16 1.24 6.14 -1.01 -4.98 117.35 120.00 1p5e s TYR 236 Ca 0.01 0.36 -0.05 0.00 0.64 0.00 0.00 57.07 58.03 1p5e s TYR 236 Cb 0.01 -3.87 -0.03 0.00 0.42 0.00 0.00 41.96 38.49 1p5e s TYR 236 CO 0.05 -3.53 0.00 0.15 0.64 0.00 0.00 175.55 172.86 1p5e s LYS 237 N 3.46 3.72 0.00 4.97 -0.14 -1.26 -4.85 119.74 125.64 1p5e s LYS 237 Ca 0.71 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 1p5e s LYS 237 Cb -0.34 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 1p5e s LYS 237 CO 0.29 0.30 1.38 -0.35 -0.76 0.00 0.00 175.35 176.21 1p5e n PRO 238 N 3.39 0.92 -2.51 -1.68 -0.04 -1.26 -3.73 135.00 130.08 1p5e n PRO 238 Ca -0.17 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1p5e n PRO 238 Cb 0.52 -1.04 0.03 0.00 -0.04 0.00 0.00 33.50 32.97 1p5e n PRO 238 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1p5e n SER 239 N 1.05 3.07 0.15 3.54 3.41 -1.26 -4.96 113.62 118.62 1p5e n SER 239 Ca 0.00 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1p5e n SER 239 Cb 0.46 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1p5e n SER 239 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1p5e n PHE 240 N -0.49 -3.04 -0.28 7.33 7.35 -1.24 -5.18 117.46 121.91 1p5e n PHE 240 Ca 0.24 0.78 -0.28 0.00 -0.76 0.00 0.00 57.45 57.42 1p5e n PHE 240 Cb 0.83 1.76 0.27 0.00 0.35 0.00 0.00 39.48 42.69 1p5e n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1p5e n PRO 241 N -3.29 -4.46 0.00 -7.13 -0.02 -1.26 -4.94 135.00 113.90 1p5e n PRO 241 Ca 0.00 -1.33 0.00 0.00 -2.02 0.00 0.00 63.50 60.15 1p5e n PRO 241 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1p5e n PRO 241 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1p5e n LYS 242 N -5.10 0.00 0.00 -0.52 4.76 -1.26 -5.03 118.16 111.01 1p5e n LYS 242 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1p5e n LYS 242 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 1p5e n LYS 242 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 1p5e n TRP 243 N 3.48 0.00 -4.11 2.13 4.27 -1.26 -3.72 117.44 118.23 1p5e n TRP 243 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1p5e n TRP 243 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1p5e n TRP 243 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1p5e n ALA 244 N 4.68 0.00 -3.00 -1.67 0.00 -1.26 -4.45 120.51 114.81 1p5e n ALA 244 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p5e n ALA 244 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1p5e n ALA 244 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1p5e n ARG 245 N -0.12 0.00 -2.51 0.00 0.00 -1.26 -5.01 116.66 107.76 1p5e n ARG 245 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1p5e n ARG 245 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.45 1p5e n ARG 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1p5e n GLN 246 N 0.00 -1.86 -1.35 2.89 6.02 -1.26 -4.65 117.38 117.17 1p5e n GLN 246 Ca 0.00 1.47 -0.34 0.00 -0.01 0.00 0.00 57.00 58.12 1p5e n GLN 246 Cb 0.00 -1.86 0.10 0.00 1.02 0.00 0.00 30.24 29.50 1p5e n GLN 246 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1p5e s ASP 247 N -0.18 4.07 -0.76 1.08 1.47 -1.26 -4.82 116.67 116.26 1p5e s ASP 247 Ca -0.04 2.33 -0.25 0.00 1.18 0.00 0.00 52.55 55.77 1p5e s ASP 247 Cb 0.00 -2.58 -0.15 0.00 -0.34 0.00 0.00 42.92 39.85 1p5e s ASP 247 CO 0.11 -2.35 2.40 0.49 0.68 0.00 0.00 175.17 176.51 1p5e n PHE 248 N -2.90 1.10 0.00 2.11 3.01 -1.26 -3.52 117.46 116.00 1p5e n PHE 248 Ca 0.13 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1p5e n PHE 248 Cb 0.50 -2.45 0.00 0.00 -0.01 0.00 0.00 39.48 37.53 1p5e n PHE 248 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1p5e n SER 249 N 17.05 0.00 0.12 4.37 3.41 -1.26 -4.91 113.62 132.40 1p5e n SER 249 Ca 0.47 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 59.14 1p5e n SER 249 Cb 0.42 0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.64 1p5e n SER 249 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1p5e h LYS 250 N 0.00 0.00 0.37 4.33 1.79 -1.92 -3.13 116.57 118.02 1p5e h LYS 250 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1p5e h LYS 250 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1p5e h LYS 250 CO 0.00 0.27 -0.28 0.28 -1.08 0.00 0.00 179.45 178.65 1p5e h VAL 251 N 0.00 0.42 -3.03 0.50 2.07 -1.91 -3.38 116.25 110.92 1p5e h VAL 251 Ca -0.04 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.88 1p5e h VAL 251 Cb 1.30 0.42 -0.40 0.00 -1.52 0.00 0.00 31.29 31.09 1p5e h VAL 251 CO 0.04 0.00 -0.75 -0.69 0.02 0.00 0.00 177.57 176.18 1p5e s VAL 252 N -6.06 1.12 0.09 2.57 1.01 -1.25 -5.06 120.40 112.83 1p5e s VAL 252 Ca -0.16 -2.07 -0.36 0.00 0.00 0.00 0.00 61.98 59.39 1p5e s VAL 252 Cb 0.05 -1.81 -0.16 0.00 0.00 0.00 0.00 36.38 34.46 1p5e s VAL 252 CO 0.64 -0.82 1.56 -0.65 0.00 0.00 0.00 175.10 175.83 1p5e h PRO 253 N 7.25 -0.90 -0.65 2.72 0.11 -1.74 -3.18 132.00 135.60 1p5e h PRO 253 Ca -0.05 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1p5e h PRO 253 Cb 0.96 0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p5e h PRO 253 CO 0.46 -0.60 0.00 -2.30 -0.21 0.00 0.00 178.00 175.35 1p5e n PRO 254 N -5.54 0.67 -4.20 1.05 -0.02 -1.26 -4.76 135.00 120.94 1p5e n PRO 254 Ca -0.11 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.03 1p5e n PRO 254 Cb 0.45 -1.33 -0.11 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.02 3.54 1.37 2.45 2.96 -1.20 -5.11 118.68 122.66 1p5e s LEU 255 Ca 0.00 -0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.66 1p5e s LEU 255 Cb 0.00 -1.88 0.35 0.00 0.50 0.00 0.00 46.19 45.16 1p5e s LEU 255 CO 0.00 0.17 1.00 1.51 -1.32 0.00 0.00 176.35 177.72 1p5e s ASP 256 N 0.35 -0.55 0.14 3.68 -4.77 -1.26 -4.69 116.67 109.58 1p5e s ASP 256 Ca -0.01 0.65 -0.16 0.00 -3.30 0.00 0.00 52.55 49.74 1p5e s ASP 256 Cb -0.13 -0.88 0.00 0.00 -1.09 0.00 0.00 42.92 40.83 1p5e s ASP 256 CO 0.01 -5.02 1.74 -0.08 0.70 0.00 0.00 175.17 172.52 1p5e h GLU 257 N -3.19 0.57 -0.28 2.11 4.81 -1.99 -1.95 114.58 114.66 1p5e h GLU 257 Ca -0.41 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 58.64 1p5e h GLU 257 Cb 1.32 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1p5e h GLU 257 CO 0.26 0.47 -0.22 -0.44 -0.73 0.00 0.00 179.01 178.35 1p5e h ASP 258 N 0.52 0.68 -0.26 1.04 3.32 -1.98 -1.13 116.42 118.61 1p5e h ASP 258 Ca 0.14 -0.45 0.06 0.00 0.02 0.00 0.00 57.03 56.80 1p5e h ASP 258 Cb 0.07 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.36 1p5e h ASP 258 CO -0.02 0.98 -0.19 1.23 -1.72 0.00 0.00 179.24 179.52 1p5e h GLY 259 N 0.38 -0.04 2.00 2.75 0.00 -1.89 -0.36 103.07 105.90 1p5e h GLY 259 Ca 0.05 0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1p5e h GLY 259 CO 0.06 -0.18 -0.39 3.21 0.00 0.00 0.00 176.54 179.23 1p5e h ARG 260 N -0.18 0.00 -0.03 4.80 3.08 -1.32 -0.75 114.38 119.97 1p5e h ARG 260 Ca 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1p5e h ARG 260 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1p5e h ARG 260 CO -0.37 0.39 0.01 1.03 -1.07 0.00 0.00 179.97 179.97 1p5e h SER 261 N 0.00 0.04 -0.47 7.04 0.87 -0.51 -0.79 113.55 119.73 1p5e h SER 261 Ca -0.00 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1p5e h SER 261 Cb 0.74 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1p5e h SER 261 CO 0.05 0.20 0.18 0.25 -0.53 0.00 0.00 176.83 176.98 1p5e h LEU 262 N -0.12 0.65 -0.76 2.23 5.85 -0.91 -2.36 115.31 119.90 1p5e h LEU 262 Ca 0.01 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1p5e h LEU 262 Cb 0.17 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1p5e h LEU 262 CO -0.00 0.65 0.48 0.25 -0.34 0.00 0.00 178.44 179.48 1p5e h LEU 263 N 0.61 0.78 -1.26 2.25 5.85 -1.11 0.51 115.31 122.94 1p5e h LEU 263 Ca 0.15 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1p5e h LEU 263 Cb 0.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1p5e h LEU 263 CO -0.01 0.54 -0.37 0.77 -0.34 0.00 0.00 178.44 179.03 1p5e h SER 264 N 0.92 0.00 -0.08 1.25 4.64 -1.00 -0.09 113.55 119.20 1p5e h SER 264 Ca 0.31 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.41 1p5e h SER 264 Cb 0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1p5e h SER 264 CO -0.12 0.37 -0.80 1.56 -0.87 0.00 0.00 176.83 176.97 1p5e h GLN 265 N 0.00 0.69 0.00 4.77 4.20 -0.86 -2.89 115.11 121.02 1p5e h GLN 265 Ca -0.00 -0.63 -0.04 0.00 0.06 0.00 0.00 58.65 58.04 1p5e h GLN 265 Cb 0.66 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1p5e h GLN 265 CO 0.05 1.23 -0.18 0.52 -0.67 0.00 0.00 178.83 179.78 1p5e h MET 266 N 0.37 0.00 -0.60 1.46 2.86 -0.52 -2.69 114.93 115.80 1p5e h MET 266 Ca -0.08 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.19 1p5e h MET 266 Cb 1.45 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.88 1p5e h MET 266 CO 0.16 0.18 -0.03 1.28 1.06 0.00 0.00 176.91 179.56 1p5e n LEU 267 N -3.47 5.12 -4.76 1.22 4.77 -0.08 -3.91 117.00 115.89 1p5e n LEU 267 Ca -0.01 -4.09 -0.41 0.00 -0.03 0.00 0.00 56.01 51.48 1p5e n LEU 267 Cb 0.35 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1p5e n LEU 267 CO 0.32 1.49 0.99 -2.28 -1.33 0.00 0.00 177.39 176.57 1p5e s HIS 268 N -3.44 3.11 0.15 -1.77 2.46 -1.09 -4.94 115.29 109.76 1p5e s HIS 268 Ca 0.51 1.34 -0.17 0.00 0.47 0.00 0.00 55.06 57.20 1p5e s HIS 268 Cb 0.43 -3.67 -0.01 0.00 -0.13 0.00 0.00 32.58 29.21 1p5e s HIS 268 CO 0.01 -1.91 1.80 1.88 -2.47 0.00 0.00 174.74 174.05 1p5e h TYR 269 N 4.00 0.45 -2.93 3.88 0.05 -1.90 -3.42 116.97 117.10 1p5e h TYR 269 Ca -0.48 0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.75 1p5e h TYR 269 Cb 1.22 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.77 1p5e h TYR 269 CO 0.58 0.29 0.88 0.34 -1.05 0.00 0.00 178.16 179.20 1p5e s ASP 270 N -5.53 6.96 0.26 3.88 -1.08 -1.26 -4.83 116.67 115.07 1p5e s ASP 270 Ca -0.13 1.70 -0.04 0.00 -0.52 0.00 0.00 52.55 53.56 1p5e s ASP 270 Cb 0.10 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.39 1p5e s ASP 270 CO 0.72 -0.74 1.88 -0.65 0.52 0.00 0.00 175.17 176.90 1p5e h PRO 271 N 8.11 1.13 -0.54 4.34 0.11 -1.95 0.44 132.00 143.64 1p5e h PRO 271 Ca -0.27 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 1p5e h PRO 271 Cb 1.11 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1p5e h PRO 271 CO 0.96 0.75 -0.05 -0.91 -0.21 0.00 0.00 178.00 178.53 1p5e h ASN 272 N 1.16 0.95 1.88 -2.05 2.35 -1.96 -3.00 115.58 114.91 1p5e h ASN 272 Ca 0.41 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1p5e h ASN 272 Cb 0.12 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1p5e h ASN 272 CO -0.16 1.03 -0.12 0.11 -1.65 0.00 0.00 177.43 176.65 1p5e h LYS 273 N 0.87 0.00 -6.70 0.81 1.79 -1.87 -3.46 116.57 108.01 1p5e h LYS 273 Ca 0.15 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.07 1p5e h LYS 273 Cb 0.59 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.31 1p5e h LYS 273 CO 0.04 0.11 0.85 -2.13 -1.08 0.00 0.00 179.45 177.23 1p5e n ARG 274 N -3.12 2.54 -1.95 3.15 0.63 0.11 -4.91 116.66 113.11 1p5e n ARG 274 Ca 0.04 0.91 -0.39 0.00 -0.92 0.00 0.00 57.85 57.48 1p5e n ARG 274 Cb 0.57 -2.68 0.01 0.00 0.45 0.00 0.00 32.46 30.82 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 0.29 2.41 0.55 5.15 2.07 -1.02 -5.00 121.20 125.65 1p5e s ILE 275 Ca 0.68 0.35 -0.14 0.00 -1.41 0.00 0.00 60.65 60.13 1p5e s ILE 275 Cb -0.54 -3.20 -0.06 0.00 0.13 0.00 0.00 42.46 38.78 1p5e s ILE 275 CO 0.45 0.04 1.00 -0.94 -1.91 0.00 0.00 174.94 173.57 1p5e s SER 276 N -0.77 6.47 0.29 4.50 1.04 -1.26 -4.87 113.70 119.10 1p5e s SER 276 Ca 0.61 1.50 -0.02 0.00 0.48 0.00 0.00 55.95 58.51 1p5e s SER 276 Cb -0.39 -2.49 0.41 0.00 0.10 0.00 0.00 66.02 63.65 1p5e s SER 276 CO 0.49 -0.69 1.94 0.00 0.98 0.00 0.00 173.24 175.96 1p5e h ALA 277 N 0.45 1.36 0.08 5.32 0.00 -1.95 -0.12 119.26 124.40 1p5e h ALA 277 Ca -0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1p5e h ALA 277 Cb 1.19 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1p5e h ALA 277 CO 0.62 0.56 -0.04 -0.22 0.00 0.00 0.00 179.25 180.17 1p5e h LYS 278 N 1.09 -0.11 -0.61 0.00 3.64 -1.92 -2.30 116.57 116.36 1p5e h LYS 278 Ca 0.29 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1p5e h LYS 278 Cb -0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1p5e h LYS 278 CO -0.05 0.04 0.06 0.00 -2.27 0.00 0.00 179.45 177.22 1p5e h ALA 279 N 0.67 0.95 0.00 5.00 0.00 -1.91 -2.88 119.26 121.09 1p5e h ALA 279 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1p5e h ALA 279 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1p5e h ALA 279 CO 0.02 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.84 1p5e h ALA 280 N 1.10 1.59 0.00 0.00 0.00 -0.87 -1.70 119.26 119.39 1p5e h ALA 280 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1p5e h ALA 280 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1p5e h ALA 280 CO 0.02 0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.29 1p5e h LEU 281 N 0.00 0.00 -2.61 0.00 3.38 -1.18 -2.52 115.31 112.37 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 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1p5e h LEU 281 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1p5e n ALA 282 N -1.97 2.41 -1.81 1.53 0.00 -0.64 -4.90 120.51 115.13 1p5e n ALA 282 Ca 0.01 -1.25 -0.41 0.00 0.00 0.00 0.00 53.44 51.79 1p5e n ALA 282 Cb 0.24 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.08 3.34 0.47 0.00 5.04 -0.95 -4.92 115.29 117.19 1p5e s HIS 283 Ca 0.47 1.53 0.36 0.00 -1.54 0.00 0.00 55.06 55.89 1p5e s HIS 283 Cb 0.25 -3.47 1.53 0.00 0.04 0.00 0.00 32.58 30.93 1p5e s HIS 283 CO 0.32 -1.21 1.60 -1.35 -2.34 0.00 0.00 174.74 171.76 1p5e h PRO 284 N 3.88 0.04 -0.62 2.88 0.11 -1.94 0.49 132.00 136.84 1p5e h PRO 284 Ca -0.47 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1p5e h PRO 284 Cb 1.22 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1p5e h PRO 284 CO 0.68 0.02 0.42 0.35 -0.21 0.00 0.00 178.00 179.26 1p5e h PHE 285 N 0.04 0.45 -0.04 0.65 3.57 -1.91 -2.44 116.94 117.25 1p5e h PHE 285 Ca 0.86 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.37 1p5e h PHE 285 Cb 2.95 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 41.54 1p5e h PHE 285 CO -0.00 0.21 0.00 1.19 -2.23 0.00 0.00 178.31 177.48 1p5e n PHE 286 N -4.47 0.03 -0.04 0.41 3.72 0.16 -4.46 117.46 112.82 1p5e n PHE 286 Ca 0.10 -0.02 0.13 0.00 -0.05 0.00 0.00 57.45 57.62 1p5e n PHE 286 Cb 0.38 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.47 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 2.87 0.29 -0.35 -1.08 3.07 -1.52 -2.13 115.11 116.26 1p5e h GLN 287 Ca 0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 58.65 58.64 1p5e h GLN 287 Cb 0.61 -0.07 -0.05 0.00 0.08 0.00 0.00 27.48 28.06 1p5e h GLN 287 CO 0.00 0.19 0.02 -0.40 0.09 0.00 0.00 178.83 178.74 1p5e n ASP 288 N -4.46 3.66 -4.76 0.06 5.68 -1.26 -5.05 116.55 110.42 1p5e n ASP 288 Ca 0.09 -3.24 -0.41 0.00 -0.50 0.00 0.00 54.79 50.73 1p5e n ASP 288 Cb 0.40 -0.60 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 1p5e n ASP 288 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1p5e s VAL 289 N -2.96 2.55 0.25 2.12 0.11 -0.80 -5.04 120.40 116.62 1p5e s VAL 289 Ca 0.45 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 60.00 1p5e s VAL 289 Cb 0.37 -3.32 -0.00 0.00 -1.53 0.00 0.00 36.38 31.90 1p5e s VAL 289 CO 0.07 0.10 0.02 0.35 -3.33 0.00 0.00 175.10 172.31 1p5e n THR 290 N 1.53 0.00 -3.73 5.04 -2.24 -1.26 -5.09 114.28 108.53 1p5e n THR 290 Ca 0.04 -1.21 -0.28 0.00 -2.27 0.00 0.00 64.05 60.33 1p5e n THR 290 Cb 0.40 0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.81 1p5e n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1p5e n LYS 291 N -0.60 1.64 -2.03 -0.78 4.81 -1.26 -4.43 118.16 115.51 1p5e n LYS 291 Ca -0.09 -4.27 -0.34 0.00 -0.87 0.00 0.00 58.31 52.74 1p5e n LYS 291 Cb 0.32 -2.15 0.02 0.00 0.02 0.00 0.00 35.03 33.24 1p5e n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1p5e s PRO 292 N -1.37 3.09 0.04 1.64 0.02 -1.26 -4.90 135.00 132.27 1p5e s PRO 292 Ca 0.29 1.52 -0.22 0.00 0.02 0.00 0.00 61.00 62.61 1p5e s PRO 292 Cb 0.00 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1p5e s PRO 292 CO -0.15 -1.04 0.67 0.08 -0.33 0.00 0.00 177.00 176.22 1p5e s VAL 293 N -2.01 4.76 0.73 3.83 1.01 -1.26 -4.24 120.40 123.21 1p5e s VAL 293 Ca 0.70 1.42 -0.11 0.00 0.00 0.00 0.00 61.98 63.99 1p5e s VAL 293 Cb -0.23 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1p5e s VAL 293 CO 0.33 0.43 1.08 -2.16 0.00 0.00 0.00 175.10 174.79 1p5e s PRO 294 N -0.39 2.62 -1.15 2.72 0.04 -1.26 -4.97 135.00 132.61 1p5e s PRO 294 Ca 0.34 1.09 -0.15 0.00 0.04 0.00 0.00 61.00 62.31 1p5e s PRO 294 Cb -0.20 -1.95 0.15 0.00 0.04 0.00 0.00 34.50 32.55 1p5e s PRO 294 CO 0.20 -1.35 1.40 -1.58 0.04 0.00 0.00 177.00 175.71 1p5e s HIS 295 N -2.92 3.34 -2.84 0.56 2.46 -1.26 -5.03 115.29 109.60 1p5e s HIS 295 Ca 0.60 -1.91 0.25 0.00 0.47 0.00 0.00 55.06 54.48 1p5e s HIS 295 Cb -0.16 -4.36 0.47 0.00 -0.13 0.00 0.00 32.58 28.41 1p5e s HIS 295 CO 0.54 -1.46 1.42 1.28 -2.47 0.00 0.00 174.74 174.04