#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h25 h MET 1 N 0.00 0.00 -0.65 -1.46 0.00 -1.99 -2.04 114.93 108.78 1h25 h MET 1 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 59.70 59.83 1h25 h MET 1 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.60 31.51 1h25 h MET 1 CO 0.00 0.00 0.17 1.49 0.00 0.00 0.00 176.91 178.57 1h25 h GLU 2 N 0.00 0.29 -0.06 1.72 4.22 -2.06 -2.49 114.58 116.19 1h25 h GLU 2 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1h25 h GLU 2 Cb 1.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1h25 h GLU 2 CO 0.00 0.19 0.00 0.09 -2.18 0.00 0.00 179.01 177.11 1h25 n ASN 3 N -5.11 1.98 -4.63 1.04 3.02 -0.77 -4.86 115.26 105.93 1h25 n ASN 3 Ca 0.11 -1.67 -0.36 0.00 -0.03 0.00 0.00 54.58 52.62 1h25 n ASN 3 Cb 0.36 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 1h25 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h25 s PHE 4 N -1.95 3.28 -0.36 3.10 0.08 -0.94 0.16 117.98 121.35 1h25 s PHE 4 Ca 0.35 0.15 -0.09 0.00 0.12 0.00 0.00 56.93 57.46 1h25 s PHE 4 Cb 0.20 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1h25 s PHE 4 CO 0.32 0.02 0.17 -1.14 -0.10 0.00 0.00 175.22 174.49 1h25 s GLN 5 N 1.09 2.73 0.40 0.44 2.00 0.70 -4.83 119.66 122.20 1h25 s GLN 5 Ca 0.07 -1.14 -0.27 0.00 -2.00 0.00 0.00 55.36 52.02 1h25 s GLN 5 Cb -0.14 -3.64 -0.10 0.00 0.80 0.00 0.00 33.01 29.93 1h25 s GLN 5 CO 0.05 -0.70 1.45 1.63 -0.50 0.00 0.00 175.29 177.21 1h25 n LYS 6 N 4.93 2.46 -0.01 1.67 5.02 -1.26 -1.37 118.16 129.60 1h25 n LYS 6 Ca -0.12 0.87 0.01 0.00 -2.02 0.00 0.00 58.31 57.04 1h25 n LYS 6 Cb 0.45 -2.62 -0.04 0.00 -0.02 0.00 0.00 35.03 32.80 1h25 n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1h25 n VAL 7 N 0.16 0.12 0.00 -0.18 0.31 0.67 -4.89 118.33 114.53 1h25 n VAL 7 Ca 0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1h25 n VAL 7 Cb 0.40 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1h25 n VAL 7 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1h25 n GLU 8 N -1.87 0.00 -2.54 5.55 0.28 -1.18 -4.99 120.64 115.90 1h25 n GLU 8 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.55 1h25 n GLU 8 Cb 0.34 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.18 1h25 n GLU 8 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1h25 s LYS 9 N -2.00 4.47 0.00 3.44 2.20 -1.26 -0.99 119.74 125.60 1h25 s LYS 9 Ca 0.00 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.23 1h25 s LYS 9 Cb 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1h25 s LYS 9 CO 0.00 -0.20 0.23 1.51 -0.36 0.00 0.00 175.35 176.53 1h25 n ILE 10 N 3.99 0.00 0.00 5.43 3.06 -0.52 -4.88 119.36 126.43 1h25 n ILE 10 Ca 0.08 -0.49 0.00 0.00 -2.50 0.00 0.00 62.75 59.84 1h25 n ILE 10 Cb 0.48 1.01 0.00 0.00 0.54 0.00 0.00 39.64 41.67 1h25 n ILE 10 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1h25 n GLY 11 N 0.53 0.29 3.03 4.50 0.00 -1.02 -5.03 105.19 107.49 1h25 n GLY 11 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1h25 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h25 s GLU 12 N -2.00 1.16 0.03 1.61 2.12 -1.26 -0.73 118.70 119.63 1h25 s GLU 12 Ca 0.00 -0.37 0.06 0.00 0.36 0.00 0.00 54.97 55.02 1h25 s GLU 12 Cb 0.00 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.30 1h25 s GLU 12 CO 0.00 0.13 -0.13 0.20 -0.54 0.00 0.00 175.26 174.91 1h25 s GLY 13 N 0.21 1.64 0.04 -1.50 0.00 0.08 -4.93 107.32 102.86 1h25 s GLY 13 Ca -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 1h25 s GLY 13 CO 0.01 -1.00 0.24 -1.30 0.00 0.00 0.00 173.10 171.04 1h25 n THR 14 N 1.55 -0.06 0.51 0.90 -2.24 -1.26 0.18 114.28 113.86 1h25 n THR 14 Ca -0.16 0.35 0.06 0.00 -2.27 0.00 0.00 64.05 62.03 1h25 n THR 14 Cb 0.52 -0.48 0.03 0.00 -2.10 0.00 0.00 70.33 68.30 1h25 n THR 14 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1h25 n TYR 15 N -4.23 0.00 -2.26 4.78 4.02 -1.26 -5.08 117.16 113.13 1h25 n TYR 15 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1h25 n TYR 15 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1h25 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h25 n GLY 16 N 0.81 3.56 3.46 2.72 0.00 0.49 -4.07 105.19 112.16 1h25 n GLY 16 Ca 0.06 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1h25 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h25 s VAL 17 N -2.50 2.65 -0.22 1.61 1.01 -1.23 -0.74 120.40 120.99 1h25 s VAL 17 Ca 0.00 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1h25 s VAL 17 Cb 0.00 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1h25 s VAL 17 CO 0.00 0.08 -0.10 -0.69 0.00 0.00 0.00 175.10 174.39 1h25 s VAL 18 N -1.17 1.72 0.03 2.92 1.01 0.10 -0.96 120.40 124.05 1h25 s VAL 18 Ca 0.17 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1h25 s VAL 18 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1h25 s VAL 18 CO 0.09 0.08 -0.01 -0.31 0.00 0.00 0.00 175.10 174.95 1h25 s TYR 19 N 1.34 3.02 0.17 5.22 4.12 -0.60 -1.44 117.35 129.17 1h25 s TYR 19 Ca -0.04 0.03 -0.28 0.00 0.02 0.00 0.00 57.07 56.80 1h25 s TYR 19 Cb -0.17 -1.62 -0.08 0.00 -1.52 0.00 0.00 41.96 38.57 1h25 s TYR 19 CO -0.07 0.45 0.89 0.21 0.02 0.00 0.00 175.55 177.05 1h25 s LYS 20 N -1.78 4.72 0.28 -0.62 2.20 -0.16 -1.24 119.74 123.13 1h25 s LYS 20 Ca 0.21 1.37 -0.10 0.00 -0.36 0.00 0.00 55.97 57.08 1h25 s LYS 20 Cb -0.12 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1h25 s LYS 20 CO 0.12 0.43 0.49 0.00 -0.36 0.00 0.00 175.35 176.03 1h25 s ALA 21 N -0.75 -0.01 -0.03 3.13 0.00 -0.92 -0.23 121.76 122.95 1h25 s ALA 21 Ca 0.41 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1h25 s ALA 21 Cb -0.24 1.07 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1h25 s ALA 21 CO 0.29 -0.84 -0.05 0.50 0.00 0.00 0.00 175.76 175.66 1h25 s ARG 22 N -3.68 0.78 -0.37 0.00 3.52 -0.47 -0.86 118.95 117.86 1h25 s ARG 22 Ca 0.24 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.40 1h25 s ARG 22 Cb -0.01 -0.77 0.01 0.00 -1.56 0.00 0.00 34.95 32.63 1h25 s ARG 22 CO 0.12 -0.01 1.24 1.21 -0.81 0.00 0.00 175.30 177.04 1h25 s ASN 23 N 0.61 6.65 0.00 -2.12 3.84 -0.48 -0.21 114.94 123.23 1h25 s ASN 23 Ca -0.08 0.91 0.13 0.00 0.21 0.00 0.00 52.86 54.03 1h25 s ASN 23 Cb -0.12 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.61 1h25 s ASN 23 CO 0.00 -1.16 1.42 0.29 -2.79 0.00 0.00 177.10 174.87 1h25 n LYS 24 N 7.52 0.00 -0.11 0.43 5.02 0.42 0.44 118.16 131.88 1h25 n LYS 24 Ca 0.14 0.27 -0.17 0.00 -2.02 0.00 0.00 58.31 56.53 1h25 n LYS 24 Cb 0.48 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 1h25 n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1h25 n LEU 25 N -1.50 2.64 0.01 -0.35 4.77 -1.26 -4.58 117.00 116.73 1h25 n LEU 25 Ca 0.03 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 1h25 n LEU 25 Cb 0.16 -0.71 -0.14 0.00 -2.33 0.00 0.00 43.42 40.40 1h25 n LEU 25 CO 0.12 0.76 -0.56 0.71 -1.33 0.00 0.00 177.39 177.09 1h25 h THR 26 N -0.19 0.87 0.00 -5.08 1.35 -1.94 -3.48 112.91 104.43 1h25 h THR 26 Ca -0.49 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 62.75 1h25 h THR 26 Cb 1.66 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.62 1h25 h THR 26 CO -0.14 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1h25 n GLY 27 N 1.72 0.78 3.72 5.82 0.00 0.17 -5.05 105.19 112.36 1h25 n GLY 27 Ca -0.21 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1h25 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h25 s GLU 28 N -0.69 4.64 0.15 1.61 2.12 -1.24 -4.72 118.70 120.58 1h25 s GLU 28 Ca 0.00 1.46 -0.25 0.00 0.36 0.00 0.00 54.97 56.54 1h25 s GLU 28 Cb 0.00 -3.40 -0.08 0.00 0.26 0.00 0.00 34.13 30.91 1h25 s GLU 28 CO 0.00 0.10 0.78 0.08 -0.54 0.00 0.00 175.26 175.68 1h25 s VAL 29 N 0.38 4.41 0.30 3.70 1.01 -1.26 -1.38 120.40 127.57 1h25 s VAL 29 Ca 0.49 1.71 0.03 0.00 0.00 0.00 0.00 61.98 64.21 1h25 s VAL 29 Cb -0.23 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1h25 s VAL 29 CO 0.29 0.50 0.29 0.68 0.00 0.00 0.00 175.10 176.86 1h25 s VAL 30 N -0.98 0.00 -0.28 2.92 -7.23 -0.04 -3.79 120.40 111.00 1h25 s VAL 30 Ca 0.36 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1h25 s VAL 30 Cb -0.23 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.27 1h25 s VAL 30 CO 0.26 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 175.00 1h25 s ALA 31 N -3.56 2.53 -0.40 1.32 0.00 0.14 -2.16 121.76 119.63 1h25 s ALA 31 Ca 0.38 -1.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.24 1h25 s ALA 31 Cb 0.03 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.49 1h25 s ALA 31 CO 0.22 -1.35 0.50 -0.51 0.00 0.00 0.00 175.76 174.61 1h25 s LEU 32 N 1.11 4.60 -0.50 0.00 1.43 -0.37 -0.70 118.68 124.24 1h25 s LEU 32 Ca -0.02 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1h25 s LEU 32 Cb -0.19 -2.51 0.08 0.00 0.03 0.00 0.00 46.19 43.59 1h25 s LEU 32 CO -0.07 -0.57 0.49 -0.75 0.23 0.00 0.00 176.35 175.68 1h25 s LYS 33 N 2.35 3.02 0.36 1.70 2.20 0.48 -1.56 119.74 128.28 1h25 s LYS 33 Ca 0.16 -1.31 -0.21 0.00 -0.36 0.00 0.00 55.97 54.26 1h25 s LYS 33 Cb -0.16 -4.16 -0.10 0.00 -1.51 0.00 0.00 37.83 31.90 1h25 s LYS 33 CO 0.15 -1.16 0.88 0.21 -0.36 0.00 0.00 175.35 175.06 1h25 s LYS 34 N 1.93 4.26 -0.20 4.03 2.36 -0.13 -1.87 119.74 130.13 1h25 s LYS 34 Ca 0.07 1.04 -0.03 0.00 -2.55 0.00 0.00 55.97 54.50 1h25 s LYS 34 Cb -0.24 -2.45 0.06 0.00 -1.05 0.00 0.00 37.83 34.15 1h25 s LYS 34 CO 0.07 0.13 0.06 0.42 1.55 0.00 0.00 175.35 177.58 1h25 s ILE 35 N -1.94 0.32 0.05 5.43 1.01 0.29 -3.47 121.20 122.90 1h25 s ILE 35 Ca 0.56 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1h25 s ILE 35 Cb -0.12 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1h25 s ILE 35 CO 0.17 -0.28 1.08 -0.60 0.00 0.00 0.00 174.94 175.32 1h25 s ARG 36 N 1.95 4.52 0.10 2.79 3.52 -1.26 -2.16 118.95 128.41 1h25 s ARG 36 Ca 0.01 1.60 0.07 0.00 -0.13 0.00 0.00 55.73 57.28 1h25 s ARG 36 Cb -0.17 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 1h25 s ARG 36 CO -0.10 -0.10 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.65 1h25 s LEU 37 N 0.80 2.93 0.00 -0.88 1.43 -0.90 -4.99 118.68 117.08 1h25 s LEU 37 Ca 0.54 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1h25 s LEU 37 Cb -0.26 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1h25 s LEU 37 CO 0.29 0.18 0.01 0.47 0.23 0.00 0.00 176.35 177.54 1h25 n ASP 38 N 0.79 0.02 -0.96 2.29 10.43 -1.26 -4.75 116.55 123.11 1h25 n ASP 38 Ca -0.14 -0.17 0.13 0.00 2.57 0.00 0.00 54.79 57.18 1h25 n ASP 38 Cb 0.52 0.20 -0.03 0.00 1.84 0.00 0.00 41.12 43.65 1h25 n ASP 38 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1h25 n THR 39 N -0.20 0.00 -0.20 -3.53 -1.04 -1.26 -4.69 114.28 103.36 1h25 n THR 39 Ca 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1h25 n THR 39 Cb 0.01 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1h25 n THR 39 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h25 n GLU 40 N -3.23 -1.88 0.00 -2.82 4.71 -1.26 -4.77 120.64 111.39 1h25 n GLU 40 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1h25 n GLU 40 Cb 0.44 -2.94 0.00 0.00 -1.01 0.00 0.00 31.44 27.93 1h25 n GLU 40 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1h25 n THR 41 N -0.37 0.00 -0.02 2.62 -1.04 -1.26 -4.99 114.28 109.23 1h25 n THR 41 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1h25 n THR 41 Cb 0.10 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1h25 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h25 n GLU 42 N 0.00 0.23 0.00 -2.82 -0.58 -1.26 -5.12 120.64 111.09 1h25 n GLU 42 Ca 0.00 -0.80 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 1h25 n GLU 42 Cb 0.00 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1h25 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h25 n GLY 43 N -0.15 -0.10 3.67 0.62 0.00 -1.26 -4.83 105.19 103.14 1h25 n GLY 43 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1h25 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h25 s VAL 44 N 0.00 3.56 0.32 1.61 1.01 -1.26 -4.94 120.40 120.69 1h25 s VAL 44 Ca 0.00 0.78 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 1h25 s VAL 44 Cb 0.00 -3.50 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 1h25 s VAL 44 CO 0.00 -0.05 1.43 -2.84 0.00 0.00 0.00 175.10 173.64 1h25 s PRO 45 N 3.54 4.23 0.34 2.72 0.02 -1.26 -4.81 135.00 139.78 1h25 s PRO 45 Ca 0.71 2.39 0.01 0.00 0.02 0.00 0.00 61.00 64.13 1h25 s PRO 45 Cb -0.33 -3.05 0.59 0.00 0.02 0.00 0.00 34.50 31.73 1h25 s PRO 45 CO 0.29 -0.40 1.99 0.66 -0.33 0.00 0.00 177.00 179.21 1h25 h SER 46 N 3.90 0.76 0.05 2.53 4.64 -1.95 0.66 113.55 124.15 1h25 h SER 46 Ca -0.48 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 1h25 h SER 46 Cb 1.23 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1h25 h SER 46 CO 0.70 0.57 -0.03 0.71 -0.87 0.00 0.00 176.83 177.90 1h25 h THR 47 N 0.89 0.80 0.00 2.95 1.35 -1.91 0.25 112.91 117.25 1h25 h THR 47 Ca 0.24 -0.12 -0.12 0.00 -0.55 0.00 0.00 66.41 65.86 1h25 h THR 47 Cb -0.08 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.39 1h25 h THR 47 CO -0.05 0.03 -0.57 0.00 -0.25 0.00 0.00 175.52 174.68 1h25 h ALA 48 N 1.97 0.66 -0.06 6.62 0.00 -0.05 -1.73 119.26 126.66 1h25 h ALA 48 Ca -0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 1h25 h ALA 48 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1h25 h ALA 48 CO 0.00 0.72 -0.76 0.82 0.00 0.00 0.00 179.25 180.03 1h25 h ILE 49 N 0.00 1.39 -0.03 0.00 2.04 0.23 -2.67 117.51 118.47 1h25 h ILE 49 Ca -0.01 -2.20 -0.04 0.00 1.00 0.00 0.00 64.86 63.61 1h25 h ILE 49 Cb 1.39 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1h25 h ILE 49 CO 0.07 0.66 -0.16 0.03 0.00 0.00 0.00 178.15 178.76 1h25 h ARG 50 N 0.25 0.16 -0.37 2.37 3.08 -1.32 -2.12 114.38 116.43 1h25 h ARG 50 Ca -0.04 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 59.95 1h25 h ARG 50 Cb 1.34 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 31.33 1h25 h ARG 50 CO 0.13 0.80 -0.43 1.49 -1.07 0.00 0.00 179.97 180.88 1h25 h GLU 51 N -0.44 -0.34 0.43 0.04 4.81 -1.31 0.29 114.58 118.05 1h25 h GLU 51 Ca -0.01 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1h25 h GLU 51 Cb 0.83 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1h25 h GLU 51 CO 0.03 -0.22 -0.21 0.82 -0.73 0.00 0.00 179.01 178.70 1h25 h ILE 52 N -0.35 0.52 -0.76 2.32 2.04 -1.59 0.31 117.51 120.00 1h25 h ILE 52 Ca 0.13 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1h25 h ILE 52 Cb 0.59 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1h25 h ILE 52 CO -0.55 0.07 0.47 0.77 0.00 0.00 0.00 178.15 178.90 1h25 h SER 53 N -0.84 0.74 -0.04 1.72 4.64 -1.15 -0.75 113.55 117.87 1h25 h SER 53 Ca -0.06 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1h25 h SER 53 Cb 0.55 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1h25 h SER 53 CO 0.10 0.49 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.31 1h25 h LEU 54 N 0.87 0.21 -1.73 5.97 3.38 -0.37 -3.01 115.31 120.64 1h25 h LEU 54 Ca 0.32 -0.65 0.10 0.00 0.09 0.00 0.00 57.88 57.75 1h25 h LEU 54 Cb 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1h25 h LEU 54 CO -0.15 0.83 0.36 0.25 0.09 0.00 0.00 178.44 179.82 1h25 h LEU 55 N -0.38 0.28 -1.85 1.67 5.85 -0.19 0.32 115.31 121.00 1h25 h LEU 55 Ca -0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1h25 h LEU 55 Cb 0.82 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1h25 h LEU 55 CO 0.03 0.17 -0.12 0.11 -0.34 0.00 0.00 178.44 178.29 1h25 h LYS 56 N 0.31 0.00 0.00 1.25 1.57 -1.00 -2.52 116.57 116.18 1h25 h LYS 56 Ca 0.25 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.85 1h25 h LYS 56 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1h25 h LYS 56 CO -0.06 0.12 -0.91 0.93 -0.57 0.00 0.00 179.45 178.97 1h25 h GLU 57 N 0.00 0.00 -4.17 3.15 5.08 -0.39 -3.41 114.58 114.84 1h25 h GLU 57 Ca -0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 1h25 h GLU 57 Cb 0.24 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.34 1h25 h GLU 57 CO 0.02 0.79 1.78 1.28 -1.00 0.00 0.00 179.01 181.88 1h25 n LEU 58 N -3.28 5.96 -4.48 1.33 4.77 -0.95 -4.94 117.00 115.41 1h25 n LEU 58 Ca -0.01 -4.52 -0.43 0.00 -0.03 0.00 0.00 56.01 51.02 1h25 n LEU 58 Cb 0.88 -1.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.33 1h25 n LEU 58 CO 0.45 1.03 0.16 0.54 -1.33 0.00 0.00 177.39 178.24 1h25 s ASN 59 N 1.94 6.22 -0.08 -1.43 4.22 -1.26 -4.87 114.94 119.68 1h25 s ASN 59 Ca 0.42 -0.66 -0.11 0.00 -2.14 0.00 0.00 52.86 50.36 1h25 s ASN 59 Cb 0.04 -2.24 0.03 0.00 1.28 0.00 0.00 41.25 40.35 1h25 s ASN 59 CO 0.00 -0.64 0.29 -2.28 -2.04 0.00 0.00 177.10 172.44 1h25 s HIS 60 N 2.26 -0.26 -1.34 1.54 2.46 -1.26 -5.03 115.29 113.66 1h25 s HIS 60 Ca 0.14 0.60 0.14 0.00 0.47 0.00 0.00 55.06 56.41 1h25 s HIS 60 Cb -0.17 0.10 0.69 0.00 -0.13 0.00 0.00 32.58 33.06 1h25 s HIS 60 CO 0.14 -0.23 1.39 -2.30 -2.47 0.00 0.00 174.74 171.28 1h25 n PRO 61 N 2.40 0.16 -0.06 2.88 -0.02 -1.26 0.39 135.00 139.49 1h25 n PRO 61 Ca -0.16 0.18 0.02 0.00 -2.02 0.00 0.00 63.50 61.52 1h25 n PRO 61 Cb 0.57 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.60 1h25 n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h25 n ASN 62 N -1.33 2.21 -4.60 2.55 4.13 -1.26 -4.88 115.26 112.08 1h25 n ASN 62 Ca 0.06 -1.89 -0.34 0.00 1.68 0.00 0.00 54.58 54.09 1h25 n ASN 62 Cb 0.12 -0.07 -0.10 0.00 -1.54 0.00 0.00 39.78 38.19 1h25 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1h25 s ILE 63 N -0.91 4.52 0.23 2.41 1.01 0.16 -0.08 121.20 128.55 1h25 s ILE 63 Ca 0.08 -0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 1h25 s ILE 63 Cb 0.04 -3.02 -0.15 0.00 0.01 0.00 0.00 42.46 39.35 1h25 s ILE 63 CO 0.06 0.48 1.07 0.55 0.00 0.00 0.00 174.94 177.10 1h25 n VAL 64 N 3.46 1.49 -3.69 2.92 3.14 0.35 -4.57 118.33 121.43 1h25 n VAL 64 Ca -0.17 -0.37 -0.36 0.00 -2.96 0.00 0.00 64.34 60.48 1h25 n VAL 64 Cb 0.52 -0.92 -0.09 0.00 -1.06 0.00 0.00 33.84 32.29 1h25 n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1h25 s LYS 65 N -0.99 4.11 -0.33 1.45 2.20 -1.26 -4.97 119.74 119.95 1h25 s LYS 65 Ca 0.65 -0.25 -0.25 0.00 -0.36 0.00 0.00 55.97 55.76 1h25 s LYS 65 Cb -0.77 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 1h25 s LYS 65 CO 0.56 0.15 0.88 -1.17 -0.36 0.00 0.00 175.35 175.40 1h25 s LEU 66 N 0.81 4.04 -0.04 5.43 2.96 -1.26 -0.80 118.68 129.82 1h25 s LEU 66 Ca 0.08 0.71 0.13 0.00 -0.22 0.00 0.00 54.13 54.82 1h25 s LEU 66 Cb -0.13 -3.21 -0.23 0.00 0.50 0.00 0.00 46.19 43.12 1h25 s LEU 66 CO 0.02 -0.73 0.68 0.18 -1.32 0.00 0.00 176.35 175.18 1h25 n LEU 67 N 6.48 0.89 -3.60 -0.68 4.77 0.95 -4.95 117.00 120.86 1h25 n LEU 67 Ca 0.06 0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 56.40 1h25 n LEU 67 Cb 0.48 0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 1h25 n LEU 67 CO 0.54 0.38 0.68 -0.62 -1.33 0.00 0.00 177.39 177.04 1h25 s ASP 68 N -6.09 -0.31 -0.20 -1.43 -1.08 -1.11 -5.02 116.67 101.43 1h25 s ASP 68 Ca -0.04 -0.16 -0.04 0.00 -0.52 0.00 0.00 52.55 51.78 1h25 s ASP 68 Cb 0.08 0.45 0.07 0.00 -1.46 0.00 0.00 42.92 42.05 1h25 s ASP 68 CO 0.82 -0.76 0.08 -0.69 0.52 0.00 0.00 175.17 175.14 1h25 s VAL 69 N -3.24 0.12 -0.20 1.11 1.01 -1.26 -1.47 120.40 116.46 1h25 s VAL 69 Ca 0.08 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1h25 s VAL 69 Cb -0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1h25 s VAL 69 CO -0.05 -0.34 0.18 -0.63 0.00 0.00 0.00 175.10 174.26 1h25 s ILE 70 N 2.04 5.37 0.15 2.22 1.01 0.05 -4.95 121.20 127.10 1h25 s ILE 70 Ca 0.03 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 1h25 s ILE 70 Cb -0.16 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1h25 s ILE 70 CO -0.13 0.41 0.38 -1.00 0.00 0.00 0.00 174.94 174.60 1h25 s HIS 71 N 0.51 3.47 0.07 3.97 3.76 -1.26 -0.70 115.29 125.11 1h25 s HIS 71 Ca 0.10 0.53 -0.10 0.00 -0.15 0.00 0.00 55.06 55.44 1h25 s HIS 71 Cb -0.12 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.59 1h25 s HIS 71 CO 0.00 0.42 0.23 0.99 -0.85 0.00 0.00 174.74 175.53 1h25 s THR 72 N -1.70 0.12 0.42 1.30 2.01 0.18 -4.92 115.64 113.04 1h25 s THR 72 Ca 0.41 -0.98 0.14 0.00 0.31 0.00 0.00 61.69 61.57 1h25 s THR 72 Cb -0.12 -1.15 0.34 0.00 0.01 0.00 0.00 72.50 71.58 1h25 s THR 72 CO 0.25 -0.54 1.94 -0.08 -0.69 0.00 0.00 174.62 175.50 1h25 h GLU 73 N 2.98 0.45 0.00 4.92 4.81 -2.01 -3.22 114.58 122.51 1h25 h GLU 73 Ca -0.33 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.53 1h25 h GLU 73 Cb 1.20 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 1h25 h GLU 73 CO 0.52 0.30 -2.27 0.27 -0.73 0.00 0.00 179.01 177.10 1h25 n ASN 74 N -4.48 0.58 -4.15 1.04 0.23 -1.26 -4.91 115.26 102.31 1h25 n ASN 74 Ca 0.13 -0.01 -0.16 0.00 -0.53 0.00 0.00 54.58 54.01 1h25 n ASN 74 Cb 0.45 0.87 -0.11 0.00 -2.08 0.00 0.00 39.78 38.90 1h25 n ASN 74 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1h25 s LYS 75 N -2.45 0.77 -0.15 -3.83 2.47 -1.22 -2.11 119.74 113.23 1h25 s LYS 75 Ca -0.11 -0.99 0.01 0.00 -1.56 0.00 0.00 55.97 53.32 1h25 s LYS 75 Cb 0.06 -0.62 0.02 0.00 -1.46 0.00 0.00 37.83 35.83 1h25 s LYS 75 CO 0.74 0.12 -0.15 -1.17 0.16 0.00 0.00 175.35 175.05 1h25 s LEU 76 N -1.97 1.72 -0.20 5.43 2.96 -0.92 -0.65 118.68 125.06 1h25 s LEU 76 Ca -0.01 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1h25 s LEU 76 Cb -0.07 -1.20 -0.00 0.00 0.50 0.00 0.00 46.19 45.41 1h25 s LEU 76 CO 0.01 -0.04 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.60 1h25 s TYR 77 N 1.42 2.90 -0.19 5.38 2.02 0.12 -0.55 117.35 128.46 1h25 s TYR 77 Ca 0.04 -1.00 -0.10 0.00 -0.37 0.00 0.00 57.07 55.64 1h25 s TYR 77 Cb -0.13 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 1h25 s TYR 77 CO -0.10 -0.53 0.14 -0.51 -1.57 0.00 0.00 175.55 172.98 1h25 s LEU 78 N 1.25 4.23 -0.29 -1.29 1.43 -0.78 -0.77 118.68 122.45 1h25 s LEU 78 Ca 0.03 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1h25 s LEU 78 Cb -0.14 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1h25 s LEU 78 CO -0.03 0.20 0.00 -0.69 0.23 0.00 0.00 176.35 176.06 1h25 s VAL 79 N 0.23 3.13 0.11 -1.59 1.01 -0.55 -0.39 120.40 122.35 1h25 s VAL 79 Ca 0.09 -1.22 0.07 0.00 0.00 0.00 0.00 61.98 60.92 1h25 s VAL 79 Cb -0.11 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1h25 s VAL 79 CO -0.01 -0.03 -0.10 -0.36 0.00 0.00 0.00 175.10 174.60 1h25 s PHE 80 N 1.31 2.74 0.52 5.22 0.40 0.12 -0.03 117.98 128.25 1h25 s PHE 80 Ca -0.03 -0.16 -0.20 0.00 -0.60 0.00 0.00 56.93 55.94 1h25 s PHE 80 Cb -0.19 -1.43 -0.09 0.00 0.51 0.00 0.00 43.02 41.83 1h25 s PHE 80 CO -0.01 0.43 0.76 -0.85 0.70 0.00 0.00 175.22 176.25 1h25 n GLU 81 N 0.66 0.83 -4.04 0.44 0.28 0.02 0.28 120.64 119.10 1h25 n GLU 81 Ca -0.13 0.31 -0.36 0.00 -0.16 0.00 0.00 57.16 56.82 1h25 n GLU 81 Cb 0.52 -1.87 -0.07 0.00 1.43 0.00 0.00 31.44 31.45 1h25 n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1h25 s PHE 82 N -1.52 3.44 -0.03 -1.84 5.36 -1.25 -4.42 117.98 117.72 1h25 s PHE 82 Ca 0.68 0.39 0.03 0.00 -0.96 0.00 0.00 56.93 57.07 1h25 s PHE 82 Cb -0.49 -1.87 0.00 0.00 -0.34 0.00 0.00 43.02 40.32 1h25 s PHE 82 CO 0.54 0.64 -0.12 -0.51 -1.46 0.00 0.00 175.22 174.31 1h25 s LEU 83 N -1.13 1.81 0.26 6.12 1.02 -1.26 -4.99 118.68 120.52 1h25 s LEU 83 Ca 0.16 -0.25 0.12 0.00 0.02 0.00 0.00 54.13 54.18 1h25 s LEU 83 Cb -0.12 -0.71 0.28 0.00 0.02 0.00 0.00 46.19 45.66 1h25 s LEU 83 CO 0.06 0.09 1.55 1.12 0.02 0.00 0.00 176.35 179.19 1h25 h HIS 84 N 6.39 0.00 -3.78 0.29 2.07 -1.95 -3.47 115.15 114.71 1h25 h HIS 84 Ca -0.33 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 56.81 1h25 h HIS 84 Cb 1.17 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.01 1h25 h HIS 84 CO 0.44 0.63 -0.59 -1.14 -3.07 0.00 0.00 177.93 174.21 1h25 s GLN 85 N -3.35 1.50 0.03 5.12 0.74 -0.93 -5.02 119.66 117.75 1h25 s GLN 85 Ca 0.00 -1.83 0.07 0.00 0.05 0.00 0.00 55.36 53.65 1h25 s GLN 85 Cb 0.11 -0.23 -0.02 0.00 1.10 0.00 0.00 33.01 33.97 1h25 s GLN 85 CO 0.76 -0.35 -0.21 0.16 -0.55 0.00 0.00 175.29 175.09 1h25 s ASP 86 N -3.35 2.46 0.41 6.67 1.47 -1.26 0.15 116.67 123.22 1h25 s ASP 86 Ca 0.36 -0.49 0.24 0.00 1.18 0.00 0.00 52.55 53.84 1h25 s ASP 86 Cb 0.07 -0.22 1.26 0.00 -0.34 0.00 0.00 42.92 43.69 1h25 s ASP 86 CO 0.15 0.18 1.69 0.25 0.68 0.00 0.00 175.17 178.12 1h25 h LEU 87 N 5.03 0.35 0.39 2.11 5.85 -0.64 0.26 115.31 128.66 1h25 h LEU 87 Ca -0.42 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1h25 h LEU 87 Cb 1.16 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1h25 h LEU 87 CO 0.45 -0.07 -0.19 0.50 -0.34 0.00 0.00 178.44 178.79 1h25 h LYS 88 N 0.23 -0.51 -0.11 1.25 3.64 -1.79 -0.70 116.57 118.58 1h25 h LYS 88 Ca 0.72 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 60.16 1h25 h LYS 88 Cb 2.04 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.97 1h25 h LYS 88 CO -0.38 -0.20 0.11 -0.22 -2.27 0.00 0.00 179.45 176.48 1h25 h LYS 89 N -0.84 0.00 -0.09 1.90 3.64 -1.28 0.21 116.57 120.11 1h25 h LYS 89 Ca -0.05 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.12 1h25 h LYS 89 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1h25 h LYS 89 CO 0.09 0.00 -0.77 0.35 -2.27 0.00 0.00 179.45 176.85 1h25 h PHE 90 N 0.00 0.72 -0.41 1.91 3.57 -1.08 -2.85 116.94 118.80 1h25 h PHE 90 Ca 0.05 -0.33 -0.05 0.00 3.53 0.00 0.00 57.97 61.18 1h25 h PHE 90 Cb 0.26 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1h25 h PHE 90 CO 0.00 1.11 0.04 0.52 -2.23 0.00 0.00 178.31 177.76 1h25 h MET 91 N 0.35 0.62 0.00 1.11 2.86 0.96 -1.09 114.93 119.74 1h25 h MET 91 Ca -0.04 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1h25 h MET 91 Cb 1.37 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1h25 h MET 91 CO 0.14 0.61 0.00 -0.25 1.06 0.00 0.00 176.91 178.47 1h25 n ASP 92 N -4.28 0.00 -0.00 1.22 8.00 -0.84 -1.96 116.55 118.68 1h25 n ASP 92 Ca 0.02 -0.50 0.09 0.00 0.71 0.00 0.00 54.79 55.12 1h25 n ASP 92 Cb 0.24 -0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 1h25 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h25 n ALA 93 N -1.16 4.30 -1.20 2.24 0.00 -0.51 -4.16 120.51 120.01 1h25 n ALA 93 Ca 0.18 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 53.04 1h25 n ALA 93 Cb 0.18 -0.72 0.24 0.00 0.00 0.00 0.00 19.45 19.16 1h25 n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1h25 n SER 94 N -1.59 3.59 0.00 0.00 7.64 -0.61 -4.83 113.62 117.83 1h25 n SER 94 Ca 0.03 -3.41 0.00 0.00 1.01 0.00 0.00 58.87 56.49 1h25 n SER 94 Cb 0.34 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1h25 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h25 n ALA 95 N -0.73 -0.10 -1.00 -0.43 0.00 -1.18 -0.08 120.51 117.00 1h25 n ALA 95 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1h25 n ALA 95 Cb 1.16 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.86 1h25 n ALA 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h25 n LEU 96 N -1.82 0.00 0.00 0.00 4.77 -1.26 -3.75 117.00 114.94 1h25 n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1h25 n LEU 96 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1h25 n LEU 96 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.13 1h25 n THR 97 N 0.00 0.00 0.00 -5.08 5.66 -1.26 -4.91 114.28 108.70 1h25 n THR 97 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1h25 n THR 97 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1h25 n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1h25 n GLY 98 N -0.91 -2.72 3.52 1.09 0.00 0.88 -4.94 105.19 102.12 1h25 n GLY 98 Ca 0.00 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 1h25 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h25 s ILE 99 N -0.52 4.70 0.05 -0.61 1.01 -1.26 -4.86 121.20 119.70 1h25 s ILE 99 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 60.65 60.27 1h25 s ILE 99 Cb 0.00 -3.20 -0.13 0.00 0.01 0.00 0.00 42.46 39.14 1h25 s ILE 99 CO 0.00 0.33 1.72 -2.65 0.00 0.00 0.00 174.94 174.34 1h25 n PRO 100 N 4.79 2.20 -0.32 2.79 -0.02 -1.26 -4.83 135.00 138.35 1h25 n PRO 100 Ca -0.16 0.80 0.20 0.00 -2.02 0.00 0.00 63.50 62.32 1h25 n PRO 100 Cb 0.52 -2.61 0.40 0.00 -0.02 0.00 0.00 33.50 31.79 1h25 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1h25 h LEU 101 N 7.49 0.24 -1.31 2.45 7.12 -1.96 0.63 115.31 129.97 1h25 h LEU 101 Ca -0.47 0.20 0.03 0.00 0.13 0.00 0.00 57.88 57.78 1h25 h LEU 101 Cb 1.26 0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 41.57 1h25 h LEU 101 CO 0.92 -0.18 0.49 -0.65 -0.13 0.00 0.00 178.44 178.88 1h25 h PRO 102 N 0.24 0.88 0.00 5.25 0.11 -1.99 0.22 132.00 136.70 1h25 h PRO 102 Ca 0.67 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.61 1h25 h PRO 102 Cb 1.47 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1h25 h PRO 102 CO -0.66 0.58 -0.55 1.25 -0.21 0.00 0.00 178.00 178.42 1h25 h LEU 103 N 0.91 0.00 0.13 2.35 5.85 -0.11 -1.99 115.31 122.45 1h25 h LEU 103 Ca 0.29 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1h25 h LEU 103 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1h25 h LEU 103 CO -0.08 0.55 -0.06 0.40 -0.34 0.00 0.00 178.44 178.90 1h25 h ILE 104 N 0.00 1.00 -0.58 4.05 2.04 -0.46 -2.20 117.51 121.36 1h25 h ILE 104 Ca -0.01 -1.16 0.11 0.00 1.00 0.00 0.00 64.86 64.81 1h25 h ILE 104 Cb 1.01 1.66 -0.11 0.00 -0.74 0.00 0.00 36.82 38.64 1h25 h ILE 104 CO 0.07 0.25 -0.20 0.50 0.00 0.00 0.00 178.15 178.77 1h25 h LYS 105 N -0.78 -0.05 -0.61 2.37 3.64 -0.53 0.43 116.57 121.04 1h25 h LYS 105 Ca -0.02 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1h25 h LYS 105 Cb 0.54 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1h25 h LYS 105 CO 0.03 -0.04 0.18 1.03 -2.27 0.00 0.00 179.45 178.38 1h25 h SER 106 N -0.05 0.87 0.26 4.20 0.87 -1.39 0.81 113.55 119.12 1h25 h SER 106 Ca 0.27 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1h25 h SER 106 Cb 0.47 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1h25 h SER 106 CO -0.62 0.82 -0.13 1.88 -0.53 0.00 0.00 176.83 178.25 1h25 h TYR 107 N 0.90 -0.33 -0.85 2.24 0.05 -0.37 -0.67 116.97 117.93 1h25 h TYR 107 Ca 0.20 -0.01 0.18 0.00 0.05 0.00 0.00 58.73 59.15 1h25 h TYR 107 Cb 0.28 0.11 -0.11 0.00 1.01 0.00 0.00 36.73 38.02 1h25 h TYR 107 CO 0.02 -0.01 0.39 1.25 -1.05 0.00 0.00 178.16 178.76 1h25 h LEU 108 N -0.97 0.38 0.66 3.88 5.85 -0.97 0.31 115.31 124.46 1h25 h LEU 108 Ca -0.04 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1h25 h LEU 108 Cb 0.47 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1h25 h LEU 108 CO 0.06 0.10 -0.47 0.15 -0.34 0.00 0.00 178.44 177.94 1h25 h PHE 109 N 0.49 -1.26 -0.66 1.25 3.57 -0.72 0.54 116.94 120.15 1h25 h PHE 109 Ca 0.49 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.11 1h25 h PHE 109 Cb 0.82 0.46 -0.13 0.00 2.79 0.00 0.00 35.95 39.90 1h25 h PHE 109 CO -0.13 -0.68 -0.27 1.96 -2.23 0.00 0.00 178.31 176.96 1h25 h GLN 110 N -1.08 -0.08 -0.92 1.11 4.20 0.08 -0.56 115.11 117.86 1h25 h GLN 110 Ca -0.08 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.72 1h25 h GLN 110 Cb 0.89 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.62 1h25 h GLN 110 CO 0.05 -0.06 0.57 -0.07 -0.67 0.00 0.00 178.83 178.65 1h25 h LEU 111 N -0.09 0.86 -0.80 1.46 3.38 -0.13 -1.33 115.31 118.66 1h25 h LEU 111 Ca 0.29 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 1h25 h LEU 111 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1h25 h LEU 111 CO -0.72 0.51 -0.40 -0.07 0.09 0.00 0.00 178.44 177.85 1h25 h LEU 112 N 0.97 0.44 -1.38 1.67 3.38 0.58 0.56 115.31 121.52 1h25 h LEU 112 Ca 0.43 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.33 1h25 h LEU 112 Cb 0.31 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1h25 h LEU 112 CO -0.22 0.79 0.53 1.56 0.09 0.00 0.00 178.44 181.20 1h25 h GLN 113 N 0.35 0.62 0.04 1.13 4.20 -0.05 0.19 115.11 121.58 1h25 h GLN 113 Ca 0.03 -0.04 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1h25 h GLN 113 Cb 0.85 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1h25 h GLN 113 CO 0.07 0.41 -1.66 0.78 -0.67 0.00 0.00 178.83 177.76 1h25 h GLY 114 N 0.64 0.10 1.54 3.46 0.00 -0.66 -2.70 103.07 105.44 1h25 h GLY 114 Ca 0.40 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 1h25 h GLY 114 CO -0.16 0.23 -0.63 -2.00 0.00 0.00 0.00 176.54 173.98 1h25 h LEU 115 N 0.02 0.53 -0.61 3.11 5.85 -0.83 -1.48 115.31 121.90 1h25 h LEU 115 Ca -0.28 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.05 1h25 h LEU 115 Cb 1.99 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 1h25 h LEU 115 CO 0.10 1.03 0.06 0.00 -0.34 0.00 0.00 178.44 179.29 1h25 h ALA 116 N 0.98 0.82 -0.41 1.25 0.00 -0.97 -0.87 119.26 120.06 1h25 h ALA 116 Ca -0.01 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1h25 h ALA 116 Cb 1.18 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1h25 h ALA 116 CO 0.11 0.61 0.10 0.35 0.00 0.00 0.00 179.25 180.42 1h25 h PHE 117 N 0.94 0.16 0.15 0.00 3.57 -1.30 0.23 116.94 120.70 1h25 h PHE 117 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1h25 h PHE 117 Cb 0.48 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1h25 h PHE 117 CO 0.04 0.03 -0.14 0.00 -2.23 0.00 0.00 178.31 176.01 1h25 h HIS 119 N -0.32 0.80 0.00 0.00 3.86 -0.84 0.39 115.15 119.04 1h25 h HIS 119 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1h25 h HIS 119 Cb 0.30 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1h25 h HIS 119 CO -0.12 0.58 0.00 0.43 0.86 0.00 0.00 177.93 179.67 1h25 n SER 120 N -4.37 0.00 -0.29 2.45 7.64 0.78 -1.62 113.62 118.20 1h25 n SER 120 Ca 0.05 0.41 0.08 0.00 1.01 0.00 0.00 58.87 60.43 1h25 n SER 120 Cb 0.12 -0.45 0.17 0.00 -1.01 0.00 0.00 64.21 63.03 1h25 n SER 120 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1h25 n HIS 121 N -1.45 0.06 -3.67 1.43 8.25 0.13 -4.97 115.22 115.01 1h25 n HIS 121 Ca 0.03 -1.16 -0.24 0.00 -0.26 0.00 0.00 57.72 56.09 1h25 n HIS 121 Cb 0.11 -0.19 0.06 0.00 1.12 0.00 0.00 29.99 31.09 1h25 n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1h25 n ARG 122 N -1.30 -6.73 -4.87 -0.41 -4.01 -0.64 -4.91 116.66 93.79 1h25 n ARG 122 Ca 0.18 0.75 -0.27 0.00 -1.04 0.00 0.00 57.85 57.47 1h25 n ARG 122 Cb 0.67 -5.69 -0.16 0.00 -3.04 0.00 0.00 32.46 24.24 1h25 n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1h25 s VAL 123 N -3.37 1.48 -0.18 8.89 1.01 -0.75 -1.17 120.40 126.32 1h25 s VAL 123 Ca 0.43 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1h25 s VAL 123 Cb -0.20 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1h25 s VAL 123 CO 0.77 0.43 -0.06 -0.76 0.00 0.00 0.00 175.10 175.47 1h25 s LEU 124 N 0.01 2.95 -0.07 3.92 1.43 -0.56 -3.76 118.68 122.60 1h25 s LEU 124 Ca -0.03 -0.31 -0.26 0.00 -1.03 0.00 0.00 54.13 52.50 1h25 s LEU 124 Cb -0.12 -1.72 -0.21 0.00 0.03 0.00 0.00 46.19 44.17 1h25 s LEU 124 CO 0.02 0.07 0.99 -0.74 0.23 0.00 0.00 176.35 176.92 1h25 h HIS 125 N 7.43 -0.04 -0.90 0.29 -0.00 -1.92 -1.56 115.15 118.45 1h25 h HIS 125 Ca -0.35 -0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 59.75 1h25 h HIS 125 Cb 1.18 0.01 -0.09 0.00 -0.00 0.00 0.00 27.41 28.51 1h25 h HIS 125 CO 0.56 0.61 -0.27 0.54 -0.00 0.00 0.00 177.93 179.37 1h25 n ARG 126 N -4.78 -0.96 -2.39 5.26 1.74 -1.26 -2.98 116.66 111.29 1h25 n ARG 126 Ca -0.09 0.91 -0.03 0.00 -0.77 0.00 0.00 57.85 57.88 1h25 n ARG 126 Cb 0.33 -5.01 0.10 0.00 -1.02 0.00 0.00 32.46 26.85 1h25 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1h25 n ASP 127 N -0.25 -1.33 -4.71 0.55 2.03 -1.26 -3.26 116.55 108.32 1h25 n ASP 127 Ca -0.14 -2.12 -0.42 0.00 0.52 0.00 0.00 54.79 52.63 1h25 n ASP 127 Cb 0.48 0.60 -0.03 0.00 -0.72 0.00 0.00 41.12 41.45 1h25 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1h25 s LEU 128 N -3.39 4.36 -0.12 -2.67 1.43 -1.26 -4.79 118.68 112.24 1h25 s LEU 128 Ca 0.07 2.11 -0.31 0.00 -1.03 0.00 0.00 54.13 54.97 1h25 s LEU 128 Cb 0.37 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 43.14 1h25 s LEU 128 CO -0.11 -0.56 1.05 -1.59 0.23 0.00 0.00 176.35 175.37 1h25 s LYS 129 N 1.30 0.54 0.56 1.70 -2.85 -1.26 -4.83 119.74 114.90 1h25 s LYS 129 Ca 0.61 -0.11 0.33 0.00 -1.00 0.00 0.00 55.97 55.79 1h25 s LYS 129 Cb -0.32 0.25 1.47 0.00 -2.06 0.00 0.00 37.83 37.17 1h25 s LYS 129 CO 0.29 -0.22 1.81 -1.35 0.10 0.00 0.00 175.35 175.98 1h25 h PRO 130 N 2.13 0.00 -0.06 1.78 0.11 -1.94 -0.06 132.00 133.96 1h25 h PRO 130 Ca -0.16 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.87 1h25 h PRO 130 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1h25 h PRO 130 CO 0.28 0.00 -0.32 1.96 -0.21 0.00 0.00 178.00 179.71 1h25 h GLN 131 N 0.00 0.12 -0.50 1.05 7.50 -1.95 -2.85 115.11 118.48 1h25 h GLN 131 Ca 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.54 1h25 h GLN 131 Cb 1.90 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.42 1h25 h GLN 131 CO -0.00 0.43 0.00 0.09 -1.50 0.00 0.00 178.83 177.84 1h25 n ASN 132 N -4.13 2.66 -4.12 1.46 3.02 -0.04 -4.75 115.26 109.36 1h25 n ASN 132 Ca -0.02 -2.02 -0.35 0.00 -0.03 0.00 0.00 54.58 52.17 1h25 n ASN 132 Cb 0.38 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 39.09 1h25 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h25 s LEU 133 N -1.02 4.73 0.31 3.41 1.43 -1.09 -0.71 118.68 125.74 1h25 s LEU 133 Ca 0.33 -1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 51.50 1h25 s LEU 133 Cb 0.17 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 1h25 s LEU 133 CO 0.22 -0.42 0.69 -0.76 0.23 0.00 0.00 176.35 176.30 1h25 s LEU 134 N 1.14 4.04 0.01 1.79 1.43 -0.76 -0.18 118.68 126.13 1h25 s LEU 134 Ca 0.04 1.12 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 1h25 s LEU 134 Cb -0.21 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 1h25 s LEU 134 CO -0.04 -0.21 -0.06 0.27 0.23 0.00 0.00 176.35 176.54 1h25 s ILE 135 N -2.03 0.44 0.43 -0.59 -4.36 0.12 -0.90 121.20 114.31 1h25 s ILE 135 Ca 0.51 -0.40 0.07 0.00 -0.26 0.00 0.00 60.65 60.57 1h25 s ILE 135 Cb -0.10 -0.40 -0.03 0.00 1.25 0.00 0.00 42.46 43.17 1h25 s ILE 135 CO 0.22 0.01 0.25 0.54 0.24 0.00 0.00 174.94 176.21 1h25 s ASN 136 N -0.43 4.62 0.49 4.36 2.20 -0.89 -2.19 114.94 123.09 1h25 s ASN 136 Ca -0.00 -1.01 0.25 0.00 -0.94 0.00 0.00 52.86 51.15 1h25 s ASN 136 Cb -0.04 -0.40 1.25 0.00 -2.00 0.00 0.00 41.25 40.06 1h25 s ASN 136 CO -0.00 -0.63 1.99 0.71 -2.94 0.00 0.00 177.10 176.22 1h25 h THR 137 N 1.25 0.64 -0.00 0.54 1.35 -1.96 -2.73 112.91 111.99 1h25 h THR 137 Ca -0.42 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1h25 h THR 137 Cb 1.26 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1h25 h THR 137 CO 0.65 0.17 -0.01 -0.62 -0.25 0.00 0.00 175.52 175.46 1h25 n GLU 138 N -3.64 0.58 0.00 4.72 -0.58 -1.26 -4.87 120.64 115.59 1h25 n GLU 138 Ca -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1h25 n GLU 138 Cb 0.30 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1h25 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h25 n GLY 139 N 1.22 0.59 3.78 0.62 0.00 -1.03 -4.87 105.19 105.50 1h25 n GLY 139 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1h25 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h25 s ALA 140 N -2.00 2.84 0.04 4.61 0.00 -1.26 -4.87 121.76 121.12 1h25 s ALA 140 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.76 1h25 s ALA 140 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1h25 s ALA 140 CO 0.00 -0.51 -0.18 -1.50 0.00 0.00 0.00 175.76 173.56 1h25 s ILE 141 N -1.81 1.48 -0.07 0.00 2.07 -1.26 -2.10 121.20 119.51 1h25 s ILE 141 Ca 0.68 -1.09 -0.06 0.00 -1.41 0.00 0.00 60.65 58.77 1h25 s ILE 141 Cb -0.21 -1.29 0.02 0.00 0.13 0.00 0.00 42.46 41.11 1h25 s ILE 141 CO 0.25 0.17 0.18 -0.54 -1.91 0.00 0.00 174.94 173.10 1h25 s LYS 142 N -1.07 0.21 0.36 3.50 1.02 -0.08 -4.67 119.74 119.01 1h25 s LYS 142 Ca 0.06 0.26 -0.28 0.00 0.02 0.00 0.00 55.97 56.02 1h25 s LYS 142 Cb -0.08 0.10 -0.11 0.00 -0.52 0.00 0.00 37.83 37.22 1h25 s LYS 142 CO 0.01 -0.03 1.41 -0.51 -0.92 0.00 0.00 175.35 175.31 1h25 s LEU 143 N 0.12 4.36 0.26 3.17 1.43 0.89 -1.84 118.68 127.06 1h25 s LEU 143 Ca -0.00 2.89 0.02 0.00 -1.03 0.00 0.00 54.13 56.01 1h25 s LEU 143 Cb -0.01 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1h25 s LEU 143 CO 0.00 -0.74 0.21 0.00 0.23 0.00 0.00 176.35 176.05 1h25 s ALA 144 N -1.13 1.42 -0.50 4.21 0.00 0.12 -0.50 121.76 125.37 1h25 s ALA 144 Ca 0.51 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 1h25 s ALA 144 Cb -0.43 1.42 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 1h25 s ALA 144 CO 0.58 -0.63 0.46 -3.47 0.00 0.00 0.00 175.76 172.71 1h25 n ASP 145 N -0.82 -5.44 -1.09 0.00 -0.08 -1.26 -4.80 116.55 103.06 1h25 n ASP 145 Ca 0.04 -0.13 -0.02 0.00 -1.51 0.00 0.00 54.79 53.18 1h25 n ASP 145 Cb 0.64 -3.62 0.01 0.00 2.34 0.00 0.00 41.12 40.50 1h25 n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1h25 n PHE 146 N -1.71 0.19 -0.02 -0.67 3.01 -1.26 -4.37 117.46 112.63 1h25 n PHE 146 Ca -0.01 -0.60 -0.06 0.00 1.01 0.00 0.00 57.45 57.79 1h25 n PHE 146 Cb 0.52 -0.30 0.14 0.00 -0.01 0.00 0.00 39.48 39.82 1h25 n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1h25 h GLY 147 N 3.79 0.65 -2.44 1.37 0.00 -1.90 -2.95 103.07 101.58 1h25 h GLY 147 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1h25 h GLY 147 CO 0.07 0.52 0.00 1.04 0.00 0.00 0.00 176.54 178.17 1h25 n LEU 148 N -4.09 3.65 -4.73 3.11 4.77 -1.26 -4.69 117.00 113.77 1h25 n LEU 148 Ca -0.01 -1.70 -0.30 0.00 -0.03 0.00 0.00 56.01 53.98 1h25 n LEU 148 Cb 0.45 -0.34 0.13 0.00 -2.33 0.00 0.00 43.42 41.33 1h25 n LEU 148 CO 0.44 0.84 0.67 0.00 -1.33 0.00 0.00 177.39 178.01 1h25 s ALA 149 N -1.29 1.61 -0.03 -1.18 0.00 -1.12 -4.74 121.76 115.02 1h25 s ALA 149 Ca 0.42 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 1h25 s ALA 149 Cb 0.24 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 20.24 1h25 s ALA 149 CO 0.32 -2.30 0.62 -0.98 0.00 0.00 0.00 175.76 173.43 1h25 s ARG 150 N -4.96 1.03 0.01 0.00 1.04 -0.59 -4.89 118.95 110.60 1h25 s ARG 150 Ca 0.63 0.13 -0.27 0.00 -1.04 0.00 0.00 55.73 55.19 1h25 s ARG 150 Cb -0.18 0.48 -0.04 0.00 -2.04 0.00 0.00 34.95 33.17 1h25 s ARG 150 CO 0.57 -0.33 0.83 0.00 -0.04 0.00 0.00 175.30 176.33 1h25 s ALA 151 N -1.46 3.29 0.35 7.88 0.00 -1.26 -1.50 121.76 129.05 1h25 s ALA 151 Ca -0.10 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1h25 s ALA 151 Cb -0.01 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1h25 s ALA 151 CO 0.07 -0.07 0.21 -0.59 0.00 0.00 0.00 175.76 175.38 1h25 s PHE 152 N 0.48 2.76 0.40 0.00 -0.71 -0.32 -4.97 117.98 115.62 1h25 s PHE 152 Ca 0.43 -0.38 0.07 0.00 -1.04 0.00 0.00 56.93 56.02 1h25 s PHE 152 Cb -0.20 -1.76 -0.06 0.00 -1.21 0.00 0.00 43.02 39.79 1h25 s PHE 152 CO 0.24 0.24 0.08 0.20 -1.34 0.00 0.00 175.22 174.64 1h25 s GLY 153 N -3.92 2.36 -0.18 1.99 0.00 -1.26 -4.89 107.32 101.41 1h25 s GLY 153 Ca 0.40 -2.17 -0.01 0.00 0.00 0.00 0.00 44.72 42.95 1h25 s GLY 153 CO 0.24 -1.99 -0.14 0.14 0.00 0.00 0.00 173.10 171.36 1h25 s VAL 154 N -2.63 2.67 1.12 1.40 1.01 -1.26 -1.83 120.40 120.88 1h25 s VAL 154 Ca 0.38 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1h25 s VAL 154 Cb 0.06 -2.16 0.25 0.00 0.00 0.00 0.00 36.38 34.53 1h25 s VAL 154 CO 0.20 0.50 1.10 -2.16 0.00 0.00 0.00 175.10 174.74 1h25 s PRO 155 N 1.19 -0.55 0.71 2.72 0.04 -1.26 -5.10 135.00 132.76 1h25 s PRO 155 Ca 0.02 0.19 -0.09 0.00 0.04 0.00 0.00 61.00 61.16 1h25 s PRO 155 Cb -0.14 -1.65 0.04 0.00 0.04 0.00 0.00 34.50 32.79 1h25 s PRO 155 CO -0.06 -3.32 1.07 0.14 0.04 0.00 0.00 177.00 174.87 1h25 s VAL 156 N -2.97 2.84 0.49 -0.36 -7.23 -0.76 -5.08 120.40 107.33 1h25 s VAL 156 Ca 0.68 0.09 0.06 0.00 -1.81 0.00 0.00 61.98 61.01 1h25 s VAL 156 Cb -0.14 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.56 1h25 s VAL 156 CO 0.57 -0.29 0.32 -0.60 -0.31 0.00 0.00 175.10 174.79 1h25 s ARG 157 N -5.33 2.30 -0.10 4.82 3.52 -1.26 -4.97 118.95 117.92 1h25 s ARG 157 Ca 0.59 -1.91 -0.29 0.00 -0.13 0.00 0.00 55.73 53.99 1h25 s ARG 157 Cb -0.11 -2.09 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 1h25 s ARG 157 CO 0.48 -0.40 1.53 0.99 -0.81 0.00 0.00 175.30 177.09 1h25 s THR 158 N -2.68 3.81 -0.10 4.11 2.01 -1.26 -4.66 115.64 116.87 1h25 s THR 158 Ca 0.37 0.97 0.09 0.00 0.31 0.00 0.00 61.69 63.43 1h25 s THR 158 Cb -0.01 -3.65 -0.12 0.00 0.01 0.00 0.00 72.50 68.74 1h25 s THR 158 CO 0.22 -0.11 0.03 -1.22 -0.69 0.00 0.00 174.62 172.85 1h25 n TYR 159 N 7.08 0.00 0.00 4.92 0.53 -1.26 -5.10 117.16 123.33 1h25 n TYR 159 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 1h25 n TYR 159 Cb 0.44 -0.50 0.00 0.00 -1.03 0.00 0.00 39.34 38.25 1h25 n TYR 159 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42 1h25 n HIS 161 N -2.39 0.00 -2.83 -0.72 -0.00 -1.26 -5.07 115.22 102.95 1h25 n HIS 161 Ca -0.17 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.58 1h25 n HIS 161 Cb 0.82 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.69 1h25 n HIS 161 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1h25 n GLU 162 N -0.59 3.41 -4.42 1.57 4.71 -1.26 -4.94 120.64 119.13 1h25 n GLU 162 Ca 0.00 -3.78 -0.19 0.00 -0.01 0.00 0.00 57.16 53.17 1h25 n GLU 162 Cb 0.00 -3.03 -0.14 0.00 -1.01 0.00 0.00 31.44 27.26 1h25 n GLU 162 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1h25 s VAL 163 N 1.38 0.86 0.00 2.62 1.01 -1.26 -5.06 120.40 119.95 1h25 s VAL 163 Ca 0.42 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1h25 s VAL 163 Cb -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1h25 s VAL 163 CO 0.00 0.18 0.00 0.52 0.00 0.00 0.00 175.10 175.80 1h25 n VAL 164 N 2.64 -1.01 -1.54 2.92 0.31 -1.20 -4.87 118.33 115.58 1h25 n VAL 164 Ca -0.15 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.68 1h25 n VAL 164 Cb 0.56 -1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 32.44 1h25 n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1h25 n THR 165 N -0.39 0.93 -0.24 2.52 -1.04 -1.26 -4.66 114.28 110.14 1h25 n THR 165 Ca 0.00 -0.23 -0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1h25 n THR 165 Cb 0.00 -0.60 0.07 0.00 -1.82 0.00 0.00 70.33 67.97 1h25 n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1h25 h LEU 166 N 2.96 -0.73 -2.54 -4.42 5.85 -1.96 -0.95 115.31 113.52 1h25 h LEU 166 Ca -0.42 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1h25 h LEU 166 Cb 1.37 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 1h25 h LEU 166 CO 0.67 -0.24 0.03 -0.50 -0.34 0.00 0.00 178.44 178.06 1h25 h TRP 167 N -0.02 0.00 -0.26 1.25 4.06 -1.87 -1.43 115.95 117.68 1h25 h TRP 167 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1h25 h TRP 167 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1h25 h TRP 167 CO -0.58 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 174.96 1h25 n TYR 168 N -3.66 0.34 -2.54 0.49 4.01 -0.41 -4.53 117.16 110.87 1h25 n TYR 168 Ca -0.02 -0.45 -0.41 0.00 -0.16 0.00 0.00 57.90 56.85 1h25 n TYR 168 Cb 0.12 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1h25 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1h25 s ARG 169 N -0.98 4.56 0.53 -0.72 3.52 -0.54 -4.08 118.95 121.24 1h25 s ARG 169 Ca 0.18 1.66 -0.18 0.00 -0.13 0.00 0.00 55.73 57.26 1h25 s ARG 169 Cb 0.10 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 30.09 1h25 s ARG 169 CO 0.13 -0.01 1.03 0.00 -0.81 0.00 0.00 175.30 175.63 1h25 s ALA 170 N 0.31 2.88 0.37 6.12 0.00 -1.26 -4.91 121.76 125.26 1h25 s ALA 170 Ca 0.52 0.43 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1h25 s ALA 170 Cb -0.27 -3.21 0.77 0.00 0.00 0.00 0.00 23.12 20.40 1h25 s ALA 170 CO 0.32 -0.44 1.98 -1.00 0.00 0.00 0.00 175.76 176.62 1h25 h PRO 171 N 1.06 0.69 0.00 0.00 0.13 -1.95 -1.35 132.00 130.59 1h25 h PRO 171 Ca -0.48 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1h25 h PRO 171 Cb 1.21 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1h25 h PRO 171 CO 0.59 0.46 -0.07 1.05 -0.23 0.00 0.00 178.00 179.80 1h25 h GLU 172 N 0.72 0.00 0.11 0.86 9.09 -1.92 0.56 114.58 124.00 1h25 h GLU 172 Ca 0.28 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.36 1h25 h GLU 172 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 1h25 h GLU 172 CO -0.08 0.07 -1.73 0.82 0.05 0.00 0.00 179.01 178.13 1h25 h ILE 173 N 0.00 0.91 0.00 -1.06 2.04 -1.61 -2.50 117.51 115.30 1h25 h ILE 173 Ca -0.00 -2.60 -0.04 0.00 1.00 0.00 0.00 64.86 63.22 1h25 h ILE 173 Cb 0.39 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 1h25 h ILE 173 CO 0.01 0.80 -0.17 -0.07 0.00 0.00 0.00 178.15 178.71 1h25 h LEU 174 N 0.07 0.00 -2.38 1.44 3.38 -0.98 -2.01 115.31 114.83 1h25 h LEU 174 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1h25 h LEU 174 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1h25 h LEU 174 CO 0.13 0.17 0.00 0.18 0.09 0.00 0.00 178.44 179.01 1h25 n LEU 175 N -3.42 3.57 -0.51 1.67 4.77 0.12 -4.84 117.00 118.36 1h25 n LEU 175 Ca -0.00 -1.80 -0.07 0.00 -0.03 0.00 0.00 56.01 54.11 1h25 n LEU 175 Cb 0.36 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1h25 n LEU 175 CO 0.32 0.69 -0.06 0.61 -1.33 0.00 0.00 177.39 177.61 1h25 n GLY 176 N 1.10 0.78 3.69 -0.72 0.00 -0.76 -1.93 105.19 107.36 1h25 n GLY 176 Ca 0.20 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1h25 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h25 n LYS 178 N -0.43 0.04 -4.42 0.00 2.85 -1.26 -4.64 118.16 110.30 1h25 n LYS 178 Ca 0.09 0.15 -0.21 0.00 -1.05 0.00 0.00 58.31 57.29 1h25 n LYS 178 Cb 0.42 -1.55 -0.15 0.00 -0.65 0.00 0.00 35.03 33.09 1h25 n LYS 178 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1h25 s TYR 179 N -3.03 1.00 0.05 5.58 2.02 -1.26 -4.04 117.35 117.67 1h25 s TYR 179 Ca 0.10 -0.25 -0.05 0.00 -0.37 0.00 0.00 57.07 56.50 1h25 s TYR 179 Cb 0.14 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.97 1h25 s TYR 179 CO 0.42 -0.11 0.09 1.52 -1.57 0.00 0.00 175.55 175.90 1h25 s TYR 180 N 0.19 0.25 0.00 2.71 -0.85 -1.26 -4.99 117.35 113.40 1h25 s TYR 180 Ca -0.03 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1h25 s TYR 180 Cb -0.09 -0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.08 1h25 s TYR 180 CO 0.01 -0.40 0.00 0.45 -1.52 0.00 0.00 175.55 174.09 1h25 n SER 181 N 0.50 0.00 -0.18 -0.18 2.88 -1.26 -4.90 113.62 110.49 1h25 n SER 181 Ca -0.17 0.00 0.29 0.00 -1.33 0.00 0.00 58.87 57.66 1h25 n SER 181 Cb 0.60 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.77 1h25 n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1h25 h THR 182 N 0.00 0.36 -0.17 2.46 1.35 -2.00 -2.24 112.91 112.68 1h25 h THR 182 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 1h25 h THR 182 Cb 0.00 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 66.86 1h25 h THR 182 CO 0.00 0.00 0.16 0.00 -0.25 0.00 0.00 175.52 175.43 1h25 h ALA 183 N 1.34 1.89 0.00 6.62 0.00 -1.95 -1.20 119.26 125.96 1h25 h ALA 183 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1h25 h ALA 183 Cb 1.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1h25 h ALA 183 CO -0.00 -0.25 0.00 -0.39 0.00 0.00 0.00 179.25 178.60 1h25 h VAL 184 N 0.00 0.00 0.15 0.00 -1.51 -1.81 -2.33 116.25 110.75 1h25 h VAL 184 Ca 0.08 -0.45 -0.30 0.00 -1.23 0.00 0.00 66.70 64.80 1h25 h VAL 184 Cb 0.40 1.37 0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1h25 h VAL 184 CO -0.00 0.00 -1.39 0.44 -1.23 0.00 0.00 177.57 175.39 1h25 h ASP 185 N 0.00 0.48 0.02 4.19 3.32 -1.43 -3.27 116.42 119.73 1h25 h ASP 185 Ca 0.00 -0.57 -0.00 0.00 0.02 0.00 0.00 57.03 56.48 1h25 h ASP 185 Cb 0.50 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1h25 h ASP 185 CO 0.00 1.45 -0.01 0.40 -1.72 0.00 0.00 179.24 179.37 1h25 h ILE 186 N 0.08 1.04 -0.98 0.35 1.08 -1.48 0.76 117.51 118.36 1h25 h ILE 186 Ca -0.20 -0.17 0.14 0.00 -0.39 0.00 0.00 64.86 64.25 1h25 h ILE 186 Cb 2.02 1.15 -0.15 0.00 -3.07 0.00 0.00 36.82 36.77 1h25 h ILE 186 CO 0.20 0.04 -0.41 1.87 -0.69 0.00 0.00 178.15 179.16 1h25 n TRP 187 N -5.07 -0.03 0.09 1.37 -0.00 -0.91 0.14 117.44 113.03 1h25 n TRP 187 Ca -0.07 1.22 -0.12 0.00 -0.00 0.00 0.00 57.50 58.52 1h25 n TRP 187 Cb 0.07 -0.83 -0.06 0.00 -0.00 0.00 0.00 31.31 30.49 1h25 n TRP 187 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 1h25 h SER 188 N 0.00 -0.30 -0.86 5.87 0.02 -1.54 0.20 113.55 116.93 1h25 h SER 188 Ca 0.32 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.35 1h25 h SER 188 Cb 0.56 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 1h25 h SER 188 CO -0.97 -0.17 0.54 -0.07 -1.14 0.00 0.00 176.83 175.02 1h25 h LEU 189 N -0.23 0.87 0.23 5.07 3.38 0.17 -1.51 115.31 123.29 1h25 h LEU 189 Ca 0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1h25 h LEU 189 Cb 0.24 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1h25 h LEU 189 CO -0.05 0.57 -0.48 1.23 0.09 0.00 0.00 178.44 179.81 1h25 h GLY 190 N 1.01 -1.05 -0.06 0.83 0.00 0.31 0.15 103.07 104.26 1h25 h GLY 190 Ca 0.36 0.57 0.25 0.00 0.00 0.00 0.00 47.33 48.51 1h25 h GLY 190 CO -0.15 -0.30 0.65 0.00 0.00 0.00 0.00 176.54 176.74 1h25 h ILE 192 N 0.46 1.29 0.28 0.00 2.04 0.14 0.12 117.51 121.84 1h25 h ILE 192 Ca 0.59 -2.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 1h25 h ILE 192 Cb 1.36 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1h25 h ILE 192 CO -0.32 0.58 -0.13 0.15 0.00 0.00 0.00 178.15 178.43 1h25 h PHE 193 N 0.00 -0.34 -0.63 1.37 3.57 0.22 0.47 116.94 121.60 1h25 h PHE 193 Ca -0.01 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1h25 h PHE 193 Cb 1.15 0.11 -0.12 0.00 2.79 0.00 0.00 35.95 39.88 1h25 h PHE 193 CO 0.00 0.01 -0.19 0.00 -2.23 0.00 0.00 178.31 175.90 1h25 h ALA 194 N -0.23 0.34 -0.22 2.41 0.00 -0.64 0.50 119.26 121.42 1h25 h ALA 194 Ca -0.04 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1h25 h ALA 194 Cb 0.51 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1h25 h ALA 194 CO 0.06 -0.47 0.12 1.49 0.00 0.00 0.00 179.25 180.45 1h25 h GLU 195 N -0.03 0.30 0.00 0.00 4.81 -0.28 0.18 114.58 119.56 1h25 h GLU 195 Ca 0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1h25 h GLU 195 Cb 0.49 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1h25 h GLU 195 CO -0.67 0.23 0.00 0.52 -0.73 0.00 0.00 179.01 178.36 1h25 h MET 196 N 0.30 0.00 0.03 1.92 2.86 0.14 -1.58 114.93 118.59 1h25 h MET 196 Ca 0.08 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1h25 h MET 196 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1h25 h MET 196 CO -0.01 0.00 -0.01 0.28 1.06 0.00 0.00 176.91 178.22 1h25 h VAL 197 N 0.00 0.00 -0.19 -2.22 2.07 -0.36 -3.38 116.25 112.17 1h25 h VAL 197 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1h25 h VAL 197 Cb 0.58 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1h25 h VAL 197 CO 0.00 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.94 1h25 n THR 198 N -3.09 0.25 -4.17 2.57 -2.24 -0.98 -4.75 114.28 101.87 1h25 n THR 198 Ca -0.00 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 1h25 n THR 198 Cb 0.01 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 1h25 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h25 n ARG 199 N 0.34 -2.78 -3.60 -0.78 1.74 -0.60 -4.95 116.66 106.04 1h25 n ARG 199 Ca 0.15 0.33 -0.16 0.00 -0.77 0.00 0.00 57.85 57.41 1h25 n ARG 199 Cb 0.32 -4.72 -0.07 0.00 -1.02 0.00 0.00 32.46 26.97 1h25 n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1h25 s ARG 200 N -6.89 0.91 0.68 5.56 3.52 -1.23 -5.05 118.95 116.46 1h25 s ARG 200 Ca 0.44 0.31 -0.17 0.00 -0.13 0.00 0.00 55.73 56.17 1h25 s ARG 200 Cb -0.24 0.43 0.01 0.00 -1.56 0.00 0.00 34.95 33.59 1h25 s ARG 200 CO 0.93 -0.25 1.27 0.00 -0.81 0.00 0.00 175.30 176.44 1h25 s ALA 201 N -0.88 2.27 -0.06 6.12 0.00 -1.26 -4.35 121.76 123.59 1h25 s ALA 201 Ca -0.09 1.11 0.12 0.00 0.00 0.00 0.00 51.96 53.10 1h25 s ALA 201 Cb -0.02 -3.53 -0.23 0.00 0.00 0.00 0.00 23.12 19.34 1h25 s ALA 201 CO 0.07 -1.72 0.59 -0.11 0.00 0.00 0.00 175.76 174.59 1h25 n LEU 202 N -2.21 0.86 -3.19 0.00 7.94 -1.26 -4.64 117.00 114.50 1h25 n LEU 202 Ca 0.15 0.37 -0.20 0.00 -1.11 0.00 0.00 56.01 55.22 1h25 n LEU 202 Cb 0.49 0.15 -0.04 0.00 0.53 0.00 0.00 43.42 44.55 1h25 n LEU 202 CO 0.47 0.42 -0.25 0.49 -1.11 0.00 0.00 177.39 177.41 1h25 n PHE 203 N -3.03 -0.01 -1.05 1.96 3.72 -1.26 -4.99 117.46 112.79 1h25 n PHE 203 Ca -0.19 -3.73 -0.31 0.00 -0.05 0.00 0.00 57.45 53.17 1h25 n PHE 203 Cb 1.06 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 1h25 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1h25 n PRO 204 N 0.65 2.57 -1.93 -1.08 -0.05 -1.26 -4.58 135.00 129.32 1h25 n PRO 204 Ca 0.24 -1.83 -0.29 0.00 -0.05 0.00 0.00 63.50 61.57 1h25 n PRO 204 Cb 0.62 -2.69 0.12 0.00 -0.05 0.00 0.00 33.50 31.50 1h25 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1h25 s GLY 205 N 3.21 1.65 0.00 0.55 0.00 -1.26 -5.02 107.32 106.46 1h25 s GLY 205 Ca 0.51 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1h25 s GLY 205 CO -0.03 -0.27 0.65 2.09 0.00 0.00 0.00 173.10 175.54 1h25 n ASP 206 N -3.43 1.09 -3.89 1.64 3.85 -1.26 -4.79 116.55 109.76 1h25 n ASP 206 Ca 0.10 -1.42 -0.08 0.00 -0.71 0.00 0.00 54.79 52.68 1h25 n ASP 206 Cb 0.60 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.34 1h25 n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1h25 s SER 207 N -0.42 -0.15 0.14 -1.12 1.04 -1.26 -5.00 113.70 106.93 1h25 s SER 207 Ca 0.00 -0.80 -0.14 0.00 0.48 0.00 0.00 55.95 55.49 1h25 s SER 207 Cb 0.00 0.66 -0.00 0.00 0.10 0.00 0.00 66.02 66.78 1h25 s SER 207 CO 0.00 -1.26 1.60 -0.33 0.98 0.00 0.00 173.24 174.23 1h25 h GLU 208 N 2.13 0.76 -0.25 4.02 5.08 -1.99 -0.47 114.58 123.86 1h25 h GLU 208 Ca -0.23 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 1h25 h GLU 208 Cb 1.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1h25 h GLU 208 CO 0.30 0.80 -0.40 0.97 -1.00 0.00 0.00 179.01 179.68 1h25 h ILE 209 N 0.61 1.30 -0.56 3.13 6.09 -1.96 -1.45 117.51 124.66 1h25 h ILE 209 Ca 0.13 -1.57 -0.02 0.00 -1.37 0.00 0.00 64.86 62.03 1h25 h ILE 209 Cb 0.44 1.55 -0.03 0.00 0.47 0.00 0.00 36.82 39.25 1h25 h ILE 209 CO 0.02 0.50 0.29 -0.78 -3.07 0.00 0.00 178.15 175.10 1h25 h ASP 210 N 0.48 0.71 -0.64 2.19 3.58 -1.92 -2.21 116.42 118.61 1h25 h ASP 210 Ca 0.04 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.41 1h25 h ASP 210 Cb 0.91 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 1h25 h ASP 210 CO 0.08 0.62 0.39 -0.61 -2.88 0.00 0.00 179.24 176.84 1h25 h GLN 211 N 0.75 0.73 0.22 0.28 5.75 -0.51 -1.73 115.11 120.60 1h25 h GLN 211 Ca 0.19 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1h25 h GLN 211 Cb 0.08 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.47 1h25 h GLN 211 CO -0.03 0.48 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.46 1h25 h LEU 212 N 0.75 -0.24 -1.83 -2.39 3.38 -0.92 -2.56 115.31 111.50 1h25 h LEU 212 Ca 0.26 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1h25 h LEU 212 Cb 0.06 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1h25 h LEU 212 CO -0.12 -0.16 -0.14 -0.26 0.09 0.00 0.00 178.44 177.85 1h25 h PHE 213 N -0.31 0.00 -0.05 1.13 -1.00 -1.24 0.73 116.94 116.21 1h25 h PHE 213 Ca -0.03 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.54 1h25 h PHE 213 Cb 0.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1h25 h PHE 213 CO -0.06 0.14 -0.86 0.00 -1.61 0.00 0.00 178.31 175.93 1h25 h ARG 214 N 0.00 0.47 -0.30 1.51 3.08 -1.20 -1.39 114.38 116.55 1h25 h ARG 214 Ca -0.00 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 1h25 h ARG 214 Cb 0.34 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1h25 h ARG 214 CO 0.02 1.09 -0.17 0.82 -1.07 0.00 0.00 179.97 180.66 1h25 h ILE 215 N 0.29 1.29 -0.17 2.04 2.04 -0.93 -2.97 117.51 119.11 1h25 h ILE 215 Ca -0.06 -1.28 -0.06 0.00 1.00 0.00 0.00 64.86 64.45 1h25 h ILE 215 Cb 1.47 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1h25 h ILE 215 CO 0.15 0.41 -0.18 -0.26 0.00 0.00 0.00 178.15 178.27 1h25 h PHE 216 N 0.40 0.31 0.00 1.37 0.04 -0.85 -0.70 116.94 117.50 1h25 h PHE 216 Ca 0.07 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1h25 h PHE 216 Cb 0.70 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1h25 h PHE 216 CO 0.06 0.46 -0.24 0.00 -0.60 0.00 0.00 178.31 178.00 1h25 h ARG 217 N 0.27 0.00 0.11 1.51 3.08 -1.16 0.18 114.38 118.37 1h25 h ARG 217 Ca 0.05 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.75 1h25 h ARG 217 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1h25 h ARG 217 CO 0.03 0.24 -1.89 1.15 -1.07 0.00 0.00 179.97 178.43 1h25 h THR 218 N 0.00 0.74 0.00 2.04 2.02 -1.30 -3.42 112.91 112.99 1h25 h THR 218 Ca -0.00 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1h25 h THR 218 Cb 0.90 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1h25 h THR 218 CO 0.03 0.82 0.00 0.18 0.37 0.00 0.00 175.52 176.92 1h25 n LEU 219 N -3.42 0.51 0.00 2.58 4.77 -0.31 -3.37 117.00 117.76 1h25 n LEU 219 Ca -0.27 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1h25 n LEU 219 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1h25 n LEU 219 CO 0.45 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1h25 n GLY 220 N 0.48 2.37 3.72 -0.72 0.00 0.62 -4.63 105.19 107.03 1h25 n GLY 220 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1h25 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h25 s THR 221 N -0.75 2.31 0.48 2.61 2.01 -1.01 -4.58 115.64 116.71 1h25 s THR 221 Ca 0.00 0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.06 1h25 s THR 221 Cb 0.00 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.28 1h25 s THR 221 CO 0.00 0.02 0.96 -2.16 -0.69 0.00 0.00 174.62 172.75 1h25 s PRO 222 N 0.86 4.01 0.31 4.92 0.04 -1.26 -4.83 135.00 139.05 1h25 s PRO 222 Ca 0.70 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1h25 s PRO 222 Cb -0.47 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1h25 s PRO 222 CO 0.34 -0.19 0.16 0.16 0.04 0.00 0.00 177.00 177.52 1h25 s ASP 223 N -2.85 1.66 0.59 6.66 1.47 -1.26 -4.97 116.67 117.97 1h25 s ASP 223 Ca 0.59 -1.57 0.29 0.00 1.18 0.00 0.00 52.55 53.04 1h25 s ASP 223 Cb -0.10 0.39 1.67 0.00 -0.34 0.00 0.00 42.92 44.54 1h25 s ASP 223 CO 0.27 -0.89 2.10 -0.33 0.68 0.00 0.00 175.17 176.99 1h25 h GLU 224 N 2.17 0.00 0.47 2.11 4.39 -1.96 0.91 114.58 122.68 1h25 h GLU 224 Ca -0.33 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 1h25 h GLU 224 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1h25 h GLU 224 CO 0.52 0.00 -0.23 0.28 -1.16 0.00 0.00 179.01 178.42 1h25 h VAL 225 N 0.00 0.00 -0.36 3.13 2.07 -1.98 -2.66 116.25 116.45 1h25 h VAL 225 Ca 0.08 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1h25 h VAL 225 Cb 0.49 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1h25 h VAL 225 CO -0.00 0.00 0.03 1.62 0.02 0.00 0.00 177.57 179.24 1h25 h VAL 226 N -1.14 1.19 -2.12 2.57 3.04 -1.65 -3.38 116.25 114.76 1h25 h VAL 226 Ca -0.06 -0.74 -0.45 0.00 -1.01 0.00 0.00 66.70 64.44 1h25 h VAL 226 Cb 0.48 0.89 -0.33 0.00 -2.01 0.00 0.00 31.29 30.33 1h25 h VAL 226 CO 0.11 0.26 -0.76 0.86 -1.01 0.00 0.00 177.57 177.02 1h25 s TRP 227 N -5.02 0.11 0.35 3.17 -0.11 0.31 -4.63 118.94 113.12 1h25 s TRP 227 Ca -0.08 -1.26 -0.28 0.00 1.22 0.00 0.00 56.10 55.70 1h25 s TRP 227 Cb 0.16 -0.57 -0.12 0.00 -1.50 0.00 0.00 33.47 31.43 1h25 s TRP 227 CO 0.76 -0.93 1.35 -2.30 -4.62 0.00 0.00 176.95 171.21 1h25 n PRO 228 N 3.88 2.29 0.00 5.86 -0.02 -1.01 -2.36 135.00 143.65 1h25 n PRO 228 Ca 0.15 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1h25 n PRO 228 Cb 0.44 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1h25 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h25 n GLY 229 N 0.67 3.03 0.23 -1.23 0.00 -1.26 -4.93 105.19 101.69 1h25 n GLY 229 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1h25 n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1h25 h VAL 230 N 0.00 0.54 0.00 1.61 -1.51 -1.81 0.13 116.25 115.20 1h25 h VAL 230 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1h25 h VAL 230 Cb 0.00 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 29.54 1h25 h VAL 230 CO 0.00 0.03 0.00 0.71 -1.23 0.00 0.00 177.57 177.08 1h25 h THR 231 N 0.14 0.00 -0.02 7.19 1.35 -1.92 0.29 112.91 119.95 1h25 h THR 231 Ca 0.31 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1h25 h THR 231 Cb 0.49 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1h25 h THR 231 CO -0.49 0.00 -0.27 -1.20 -0.25 0.00 0.00 175.52 173.32 1h25 n SER 232 N -2.38 1.99 -4.75 5.36 7.64 0.43 -4.89 113.62 117.03 1h25 n SER 232 Ca -0.00 -1.50 -0.36 0.00 1.01 0.00 0.00 58.87 58.02 1h25 n SER 232 Cb 0.13 0.24 0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1h25 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1h25 s MET 233 N -2.32 2.90 0.16 1.43 -1.94 0.10 -4.95 119.30 114.69 1h25 s MET 233 Ca 0.24 1.89 -0.16 0.00 -1.71 0.00 0.00 55.69 55.95 1h25 s MET 233 Cb 0.19 -1.93 0.10 0.00 2.01 0.00 0.00 34.83 35.20 1h25 s MET 233 CO 0.47 -1.28 1.70 -1.35 -0.01 0.00 0.00 175.02 174.56 1h25 h PRO 234 N 0.85 0.11 -0.63 2.03 0.11 -1.82 -2.37 132.00 130.28 1h25 h PRO 234 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1h25 h PRO 234 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1h25 h PRO 234 CO 0.55 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 1h25 n ASP 235 N -5.18 5.06 -4.81 -2.05 8.00 -0.81 -4.94 116.55 111.82 1h25 n ASP 235 Ca 0.02 -2.67 -0.35 0.00 0.71 0.00 0.00 54.79 52.50 1h25 n ASP 235 Cb 0.20 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 1h25 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1h25 s TYR 236 N -2.29 3.56 -0.04 1.24 6.14 -0.89 -4.89 117.35 120.18 1h25 s TYR 236 Ca 0.50 1.58 0.01 0.00 0.64 0.00 0.00 57.07 59.80 1h25 s TYR 236 Cb 0.36 -2.78 0.02 0.00 0.42 0.00 0.00 41.96 39.98 1h25 s TYR 236 CO 0.19 0.16 -0.04 0.15 0.64 0.00 0.00 175.55 176.65 1h25 s LYS 237 N -2.38 0.72 0.59 4.97 -0.14 -1.26 -4.91 119.74 117.33 1h25 s LYS 237 Ca 0.51 -0.09 0.29 0.00 -1.36 0.00 0.00 55.97 55.33 1h25 s LYS 237 Cb -0.15 -0.75 1.70 0.00 -1.68 0.00 0.00 37.83 36.95 1h25 s LYS 237 CO 0.20 -0.07 2.13 -1.35 -0.76 0.00 0.00 175.35 175.50 1h25 h PRO 238 N 7.09 0.00 0.00 -1.68 0.11 -1.97 0.11 132.00 135.66 1h25 h PRO 238 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1h25 h PRO 238 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1h25 h PRO 238 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 1h25 n SER 239 N -3.81 0.00 -4.69 -2.05 3.41 -1.26 -4.82 113.62 100.40 1h25 n SER 239 Ca 0.01 -0.11 -0.54 0.00 -0.26 0.00 0.00 58.87 57.97 1h25 n SER 239 Cb 0.27 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1h25 n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1h25 n PHE 240 N -1.27 2.13 -1.55 7.33 3.01 0.39 -4.89 117.46 122.61 1h25 n PHE 240 Ca 0.12 0.34 -0.44 0.00 1.01 0.00 0.00 57.45 58.48 1h25 n PHE 240 Cb 0.19 -2.53 -0.01 0.00 -0.01 0.00 0.00 39.48 37.12 1h25 n PHE 240 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1h25 n PRO 241 N 5.64 1.06 -3.48 -1.08 -0.02 -1.26 -4.93 135.00 130.94 1h25 n PRO 241 Ca 0.24 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 1h25 n PRO 241 Cb 0.20 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1h25 n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1h25 s LYS 242 N -1.55 3.68 0.50 -0.52 1.02 -1.26 -4.79 119.74 116.82 1h25 s LYS 242 Ca 0.61 -3.11 -0.18 0.00 0.02 0.00 0.00 55.97 53.30 1h25 s LYS 242 Cb -0.70 -4.26 -0.08 0.00 -0.52 0.00 0.00 37.83 32.27 1h25 s LYS 242 CO 0.59 -1.25 0.99 -1.58 -0.92 0.00 0.00 175.35 173.18 1h25 s TRP 243 N -1.06 3.28 0.63 3.18 0.51 -1.26 -4.86 118.94 119.36 1h25 s TRP 243 Ca 0.27 1.53 -0.13 0.00 -2.12 0.00 0.00 56.10 55.66 1h25 s TRP 243 Cb -0.10 -2.88 -0.03 0.00 -0.81 0.00 0.00 33.47 29.66 1h25 s TRP 243 CO -0.09 -0.47 1.04 0.00 -0.51 0.00 0.00 176.95 176.92 1h25 s ALA 244 N -2.38 2.86 0.13 0.98 0.00 -1.26 -2.40 121.76 119.69 1h25 s ALA 244 Ca 0.62 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.45 1h25 s ALA 244 Cb -0.11 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1h25 s ALA 244 CO 0.25 -0.86 0.74 0.50 0.00 0.00 0.00 175.76 176.38 1h25 s ARG 245 N -4.75 4.49 0.18 0.00 3.52 -1.26 -4.20 118.95 116.92 1h25 s ARG 245 Ca 0.58 1.07 -0.30 0.00 -0.13 0.00 0.00 55.73 56.95 1h25 s ARG 245 Cb -0.13 -3.28 -0.07 0.00 -1.56 0.00 0.00 34.95 29.91 1h25 s ARG 245 CO 0.48 0.53 0.99 -1.14 -0.81 0.00 0.00 175.30 175.35 1h25 s GLN 246 N -0.95 4.73 -0.46 5.12 0.74 -1.22 -4.95 119.66 122.68 1h25 s GLN 246 Ca 0.35 1.53 -0.35 0.00 0.05 0.00 0.00 55.36 56.94 1h25 s GLN 246 Cb -0.22 -3.32 -0.13 0.00 1.10 0.00 0.00 33.01 30.44 1h25 s GLN 246 CO 0.24 0.30 2.27 -3.47 -0.55 0.00 0.00 175.29 174.08 1h25 n ASP 247 N 2.18 1.76 -0.33 6.67 4.64 -1.26 -4.77 116.55 125.44 1h25 n ASP 247 Ca 0.01 0.32 0.36 0.00 -1.38 0.00 0.00 54.79 54.09 1h25 n ASP 247 Cb 0.48 -1.21 0.66 0.00 -1.04 0.00 0.00 41.12 40.01 1h25 n ASP 247 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 1h25 h PHE 248 N 12.68 0.00 0.00 -0.67 3.57 -1.92 0.17 116.94 130.78 1h25 h PHE 248 Ca -0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1h25 h PHE 248 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1h25 h PHE 248 CO 0.98 0.00 0.00 -1.13 -2.23 0.00 0.00 178.31 175.93 1h25 n SER 249 N -3.70 0.00 0.00 0.41 3.41 -1.26 -2.02 113.62 110.46 1h25 n SER 249 Ca 0.27 0.42 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1h25 n SER 249 Cb 1.47 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 64.86 1h25 n SER 249 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h25 n LYS 250 N -1.45 0.41 0.09 4.33 4.76 0.61 -3.47 118.16 123.44 1h25 n LYS 250 Ca 0.02 -0.10 -0.07 0.00 -2.87 0.00 0.00 58.31 55.29 1h25 n LYS 250 Cb 0.07 -1.54 0.03 0.00 -1.84 0.00 0.00 35.03 31.75 1h25 n LYS 250 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1h25 h VAL 251 N 0.00 1.48 -1.96 -0.18 2.07 -1.53 -3.36 116.25 112.77 1h25 h VAL 251 Ca 0.00 -2.49 -0.54 0.00 0.82 0.00 0.00 66.70 64.49 1h25 h VAL 251 Cb 0.82 2.37 -0.37 0.00 -1.52 0.00 0.00 31.29 32.58 1h25 h VAL 251 CO 0.00 0.73 -1.02 0.52 0.02 0.00 0.00 177.57 177.82 1h25 n VAL 252 N -3.70 -0.79 -0.32 2.57 0.31 -1.24 -5.03 118.33 110.13 1h25 n VAL 252 Ca -0.03 -3.61 0.19 0.00 -0.01 0.00 0.00 64.34 60.88 1h25 n VAL 252 Cb 0.76 -1.59 0.39 0.00 -0.91 0.00 0.00 33.84 32.49 1h25 n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1h25 h PRO 253 N 4.49 0.18 0.00 5.55 0.11 -1.72 -0.44 132.00 140.17 1h25 h PRO 253 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1h25 h PRO 253 Cb 0.90 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1h25 h PRO 253 CO 0.41 0.12 0.00 -2.30 -0.21 0.00 0.00 178.00 176.02 1h25 n PRO 254 N -5.22 0.07 -2.43 1.05 -0.02 -1.26 -4.87 135.00 122.32 1h25 n PRO 254 Ca 0.27 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.74 1h25 n PRO 254 Cb 0.87 -1.65 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 1h25 n PRO 254 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h25 s LEU 255 N -3.56 4.47 0.00 2.45 1.02 -0.18 -5.05 118.68 117.84 1h25 s LEU 255 Ca 0.04 2.30 -0.02 0.00 0.02 0.00 0.00 54.13 56.47 1h25 s LEU 255 Cb 0.07 -3.71 0.03 0.00 0.02 0.00 0.00 46.19 42.60 1h25 s LEU 255 CO 0.24 -0.26 0.17 -0.90 0.02 0.00 0.00 176.35 175.62 1h25 n ASP 256 N 0.94 -0.04 0.12 2.29 3.85 -1.26 -4.77 116.55 117.68 1h25 n ASP 256 Ca -0.00 -1.04 0.01 0.00 -0.71 0.00 0.00 54.79 53.05 1h25 n ASP 256 Cb 0.45 -0.13 0.34 0.00 -1.35 0.00 0.00 41.12 40.43 1h25 n ASP 256 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1h25 h GLU 257 N 0.00 0.21 0.05 0.11 4.81 -1.99 -1.24 114.58 116.54 1h25 h GLU 257 Ca -0.06 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 1h25 h GLU 257 Cb 0.15 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1h25 h GLU 257 CO 0.04 0.44 -0.48 -0.44 -0.73 0.00 0.00 179.01 177.84 1h25 h ASP 258 N 0.20 0.16 -0.81 1.04 3.32 -1.97 -1.39 116.42 116.97 1h25 h ASP 258 Ca 0.03 -0.92 0.20 0.00 0.02 0.00 0.00 57.03 56.36 1h25 h ASP 258 Cb 0.52 -0.05 -0.13 0.00 0.22 0.00 0.00 39.33 39.89 1h25 h ASP 258 CO 0.04 1.21 0.15 1.23 -1.72 0.00 0.00 179.24 180.15 1h25 h GLY 259 N -0.73 1.13 1.18 2.75 0.00 -1.93 0.60 103.07 106.07 1h25 h GLY 259 Ca -0.10 0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 1h25 h GLY 259 CO 0.03 -0.30 -0.45 3.21 0.00 0.00 0.00 176.54 179.03 1h25 h ARG 260 N 0.19 0.88 -0.78 4.80 3.08 -1.11 -0.87 114.38 120.57 1h25 h ARG 260 Ca 0.48 -0.50 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1h25 h ARG 260 Cb 0.90 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1h25 h ARG 260 CO -0.63 1.14 0.33 1.03 -1.07 0.00 0.00 179.97 180.77 1h25 h SER 261 N 0.70 1.07 0.42 7.04 0.87 0.28 0.47 113.55 124.40 1h25 h SER 261 Ca 0.04 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1h25 h SER 261 Cb 1.04 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1h25 h SER 261 CO 0.10 0.94 -0.20 0.25 -0.53 0.00 0.00 176.83 177.39 1h25 h LEU 262 N 1.13 -0.47 -0.96 2.23 5.85 0.28 -1.02 115.31 122.34 1h25 h LEU 262 Ca 0.26 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 59.03 1h25 h LEU 262 Cb 0.19 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 1h25 h LEU 262 CO -0.02 -0.15 0.57 0.25 -0.34 0.00 0.00 178.44 178.75 1h25 h LEU 263 N -0.82 0.78 -1.44 2.25 5.85 -1.06 0.91 115.31 121.78 1h25 h LEU 263 Ca -0.06 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1h25 h LEU 263 Cb 0.54 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1h25 h LEU 263 CO 0.09 0.35 0.39 -1.28 -0.34 0.00 0.00 178.44 177.66 1h25 h SER 264 N 0.82 0.64 1.20 1.25 0.87 0.59 0.97 113.55 119.90 1h25 h SER 264 Ca 0.51 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1h25 h SER 264 Cb 0.66 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1h25 h SER 264 CO -0.33 0.45 -0.60 1.56 -0.53 0.00 0.00 176.83 177.39 1h25 h GLN 265 N 0.75 0.00 0.00 2.24 4.20 0.20 -3.18 115.11 119.32 1h25 h GLN 265 Ca 0.23 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 1h25 h GLN 265 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1h25 h GLN 265 CO -0.06 0.00 -0.37 0.52 -0.67 0.00 0.00 178.83 178.26 1h25 h MET 266 N 0.00 0.00 -0.59 1.46 2.86 0.17 -2.04 114.93 116.78 1h25 h MET 266 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1h25 h MET 266 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1h25 h MET 266 CO 0.00 0.37 0.00 1.28 1.06 0.00 0.00 176.91 179.62 1h25 n LEU 267 N -3.21 4.27 -4.74 1.22 4.77 -0.56 -3.79 117.00 114.96 1h25 n LEU 267 Ca 0.02 -2.34 -0.42 0.00 -0.03 0.00 0.00 56.01 53.25 1h25 n LEU 267 Cb 0.67 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1h25 n LEU 267 CO 0.38 0.83 1.08 1.57 -1.33 0.00 0.00 177.39 179.93 1h25 n HIS 268 N 1.02 2.71 -0.09 -1.77 -0.00 -1.20 -4.93 115.22 110.96 1h25 n HIS 268 Ca 0.23 0.44 -0.12 0.00 0.46 0.00 0.00 57.72 58.74 1h25 n HIS 268 Cb 0.77 -2.51 -0.04 0.00 -0.12 0.00 0.00 29.99 28.09 1h25 n HIS 268 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 1h25 h TYR 269 N 3.26 0.57 -2.64 1.57 0.05 -1.93 -3.42 116.97 114.44 1h25 h TYR 269 Ca -0.48 -0.12 -0.54 0.00 0.05 0.00 0.00 58.73 57.64 1h25 h TYR 269 Cb 1.25 -0.14 -0.06 0.00 1.01 0.00 0.00 36.73 38.79 1h25 h TYR 269 CO 0.53 0.71 1.11 0.34 -1.05 0.00 0.00 178.16 179.81 1h25 s ASP 270 N -6.10 6.06 0.27 3.88 -1.08 -1.26 -4.86 116.67 113.59 1h25 s ASP 270 Ca -0.13 0.11 -0.07 0.00 -0.52 0.00 0.00 52.55 51.94 1h25 s ASP 270 Cb 0.08 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.47 1h25 s ASP 270 CO 0.77 -1.80 1.57 -0.65 0.52 0.00 0.00 175.17 175.58 1h25 h PRO 271 N 11.17 0.01 -0.35 4.34 0.11 -1.97 0.71 132.00 146.01 1h25 h PRO 271 Ca -0.27 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.94 1h25 h PRO 271 Cb 1.09 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1h25 h PRO 271 CO 1.21 0.00 0.30 -0.97 -0.21 0.00 0.00 178.00 178.33 1h25 h ASN 272 N 0.01 0.00 -0.02 -2.05 -1.24 -1.96 -1.94 115.58 108.37 1h25 h ASN 272 Ca 0.48 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.49 1h25 h ASN 272 Cb 0.78 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.83 1h25 h ASN 272 CO -0.95 0.00 -0.12 0.29 -1.29 0.00 0.00 177.43 175.36 1h25 n LYS 273 N -4.11 1.67 -1.89 6.67 4.76 0.24 -4.98 118.16 120.53 1h25 n LYS 273 Ca 0.05 -1.43 -0.41 0.00 -2.87 0.00 0.00 58.31 53.66 1h25 n LYS 273 Cb 0.47 -1.37 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 1h25 n LYS 273 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1h25 s ARG 274 N -1.80 4.18 0.66 1.97 3.52 -0.73 -4.89 118.95 121.86 1h25 s ARG 274 Ca 0.21 2.46 -0.18 0.00 -0.13 0.00 0.00 55.73 58.09 1h25 s ARG 274 Cb 0.16 -3.03 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1h25 s ARG 274 CO 0.32 -0.48 1.27 -1.50 -0.81 0.00 0.00 175.30 174.09 1h25 s ILE 275 N -0.59 2.16 0.28 4.11 2.07 -0.77 -4.98 121.20 123.47 1h25 s ILE 275 Ca 0.56 0.09 0.07 0.00 -1.41 0.00 0.00 60.65 59.97 1h25 s ILE 275 Cb -0.45 -2.97 -0.03 0.00 0.13 0.00 0.00 42.46 39.14 1h25 s ILE 275 CO 0.53 -0.03 0.27 -0.94 -1.91 0.00 0.00 174.94 172.86 1h25 s SER 276 N -1.53 5.62 0.10 4.50 1.04 -1.26 -4.83 113.70 117.33 1h25 s SER 276 Ca 0.80 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 56.69 1h25 s SER 276 Cb -0.35 -1.35 -0.12 0.00 0.10 0.00 0.00 66.02 64.30 1h25 s SER 276 CO 0.40 -0.15 1.64 0.00 0.98 0.00 0.00 173.24 176.10 1h25 h ALA 277 N 1.34 -0.57 -1.00 5.32 0.00 -1.93 0.25 119.26 122.66 1h25 h ALA 277 Ca -0.48 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.46 1h25 h ALA 277 Cb 1.24 0.39 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1h25 h ALA 277 CO 0.60 -0.85 -0.53 -0.22 0.00 0.00 0.00 179.25 178.25 1h25 h LYS 278 N -0.58 -0.00 -0.67 0.00 3.64 -1.90 -0.57 116.57 116.49 1h25 h LYS 278 Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1h25 h LYS 278 Cb 0.53 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1h25 h LYS 278 CO -0.06 -0.00 0.31 0.00 -2.27 0.00 0.00 179.45 177.43 1h25 h ALA 279 N 0.78 1.28 0.00 5.00 0.00 -1.72 -1.94 119.26 122.65 1h25 h ALA 279 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h25 h ALA 279 Cb 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1h25 h ALA 279 CO -0.96 0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.85 1h25 h ALA 280 N 1.38 1.00 0.00 0.00 0.00 0.11 0.23 119.26 121.98 1h25 h ALA 280 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1h25 h ALA 280 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1h25 h ALA 280 CO -0.03 0.00 -0.05 -0.07 0.00 0.00 0.00 179.25 179.10 1h25 h LEU 281 N 0.00 0.00 0.00 0.00 3.38 -0.94 -3.00 115.31 114.75 1h25 h LEU 281 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h25 h LEU 281 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1h25 h LEU 281 CO 0.00 0.05 -0.62 0.00 0.09 0.00 0.00 178.44 177.96 1h25 h ALA 282 N 1.95 0.67 -1.94 1.53 0.00 -0.70 -3.47 119.26 117.30 1h25 h ALA 282 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1h25 h ALA 282 Cb 0.37 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.21 1h25 h ALA 282 CO 0.01 0.00 0.68 1.58 0.00 0.00 0.00 179.25 181.52 1h25 n HIS 283 N -2.67 1.93 -0.26 0.00 -0.00 -1.14 -4.88 115.22 108.20 1h25 n HIS 283 Ca 0.02 0.43 0.33 0.00 -0.00 0.00 0.00 57.72 58.49 1h25 n HIS 283 Cb 0.52 -2.45 0.74 0.00 -0.00 0.00 0.00 29.99 28.79 1h25 n HIS 283 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1h25 h PRO 284 N 5.68 0.00 -0.49 1.57 0.11 -1.92 0.46 132.00 137.41 1h25 h PRO 284 Ca -0.47 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1h25 h PRO 284 Cb 1.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1h25 h PRO 284 CO 0.85 0.00 0.71 0.35 -0.21 0.00 0.00 178.00 179.70 1h25 h PHE 285 N 0.00 0.00 -0.00 0.65 3.57 -1.90 0.30 116.94 119.56 1h25 h PHE 285 Ca 0.51 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.01 1h25 h PHE 285 Cb 2.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.83 1h25 h PHE 285 CO 0.00 0.00 -0.93 1.19 -2.23 0.00 0.00 178.31 176.34 1h25 n PHE 286 N -3.32 0.00 -0.51 0.41 3.72 0.16 -4.54 117.46 113.38 1h25 n PHE 286 Ca 0.10 0.00 0.41 0.00 -0.05 0.00 0.00 57.45 57.91 1h25 n PHE 286 Cb 0.89 -0.03 0.63 0.00 -0.94 0.00 0.00 39.48 40.02 1h25 n PHE 286 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h25 n GLN 287 N -1.47 0.00 -0.04 -1.08 10.64 0.11 0.22 117.38 125.75 1h25 n GLN 287 Ca 0.04 0.92 0.04 0.00 -1.83 0.00 0.00 57.00 56.17 1h25 n GLN 287 Cb 0.33 -2.17 0.06 0.00 -0.86 0.00 0.00 30.24 27.61 1h25 n GLN 287 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1h25 n ASP 288 N -3.48 2.03 -4.48 2.61 5.68 -1.26 -5.05 116.55 112.59 1h25 n ASP 288 Ca 0.34 -1.57 -0.48 0.00 -0.50 0.00 0.00 54.79 52.59 1h25 n ASP 288 Cb 1.64 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 41.54 1h25 n ASP 288 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1h25 n VAL 289 N 0.39 1.82 -4.15 2.12 3.14 0.59 -4.99 118.33 117.24 1h25 n VAL 289 Ca 0.06 -0.45 -0.10 0.00 -2.96 0.00 0.00 64.34 60.89 1h25 n VAL 289 Cb 0.27 -0.38 -0.04 0.00 -1.06 0.00 0.00 33.84 32.63 1h25 n VAL 289 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1h25 n THR 290 N 0.25 0.00 -3.70 1.55 -2.24 -1.26 -5.08 114.28 103.81 1h25 n THR 290 Ca 0.15 -1.21 -0.28 0.00 -2.27 0.00 0.00 64.05 60.44 1h25 n THR 290 Cb 0.26 0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 68.97 1h25 n THR 290 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1h25 s LYS 291 N -2.69 1.86 0.00 -0.78 2.20 -1.26 -4.32 119.74 114.74 1h25 s LYS 291 Ca 0.19 -2.87 0.00 0.00 -0.36 0.00 0.00 55.97 52.93 1h25 s LYS 291 Cb 0.01 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1h25 s LYS 291 CO 0.13 -1.33 0.00 -2.30 -0.36 0.00 0.00 175.35 171.50 1h25 n PRO 292 N 2.30 1.64 0.00 4.03 -0.02 -1.26 -4.95 135.00 136.74 1h25 n PRO 292 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1h25 n PRO 292 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 1h25 n PRO 292 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76