#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dog n MET 1 N 0.00 2.95 0.17 1.43 2.00 -1.26 -4.65 117.12 117.76 3dog n MET 1 Ca 0.00 -2.62 0.03 0.00 0.00 0.00 0.00 57.70 55.11 3dog n MET 1 Cb 0.00 -1.69 0.30 0.00 0.00 0.00 0.00 33.22 31.83 3dog n MET 1 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 3dog h GLU 2 N 1.91 0.00 -0.00 0.03 9.09 -2.06 -3.08 114.58 120.46 3dog h GLU 2 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3dog h GLU 2 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3dog h GLU 2 CO 0.16 0.44 -0.41 0.09 0.05 0.00 0.00 179.01 179.34 3dog n ASN 3 N -3.67 0.65 -4.88 3.06 3.02 -1.26 -4.86 115.26 107.32 3dog n ASN 3 Ca -0.01 -0.44 -0.37 0.00 -0.03 0.00 0.00 54.58 53.73 3dog n ASN 3 Cb 0.52 0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.83 3dog n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dog s PHE 4 N -2.84 3.60 -0.23 3.10 0.08 -1.17 0.11 117.98 120.64 3dog s PHE 4 Ca 0.15 0.53 0.02 0.00 0.12 0.00 0.00 56.93 57.76 3dog s PHE 4 Cb 0.18 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3dog s PHE 4 CO 0.64 0.74 -0.14 -1.14 -0.10 0.00 0.00 175.22 175.21 3dog s GLN 5 N -1.05 2.56 0.47 0.44 2.00 -0.26 -4.93 119.66 118.89 3dog s GLN 5 Ca 0.15 -1.13 -0.25 0.00 -2.00 0.00 0.00 55.36 52.14 3dog s GLN 5 Cb -0.12 -2.77 -0.08 0.00 0.80 0.00 0.00 33.01 30.84 3dog s GLN 5 CO 0.04 -0.42 1.41 0.15 -0.50 0.00 0.00 175.29 175.97 3dog s LYS 6 N 1.18 3.59 -0.07 1.67 1.02 -1.26 -1.67 119.74 124.21 3dog s LYS 6 Ca -0.03 2.38 -0.02 0.00 0.02 0.00 0.00 55.97 58.31 3dog s LYS 6 Cb -0.17 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 3dog s LYS 6 CO -0.08 -0.88 -0.08 0.28 -0.92 0.00 0.00 175.35 173.67 3dog n VAL 7 N -0.35 0.36 -3.60 3.17 0.31 0.16 -4.91 118.33 113.47 3dog n VAL 7 Ca 0.06 -0.10 -0.07 0.00 -0.01 0.00 0.00 64.34 64.22 3dog n VAL 7 Cb 0.42 -1.39 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 3dog n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3dog s GLU 8 N -2.12 0.40 0.23 5.55 -1.05 -1.18 -5.01 118.70 115.52 3dog s GLU 8 Ca -0.09 0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.47 3dog s GLU 8 Cb 0.03 0.19 -0.10 0.00 -0.44 0.00 0.00 34.13 33.81 3dog s GLU 8 CO 0.12 -0.14 1.51 0.21 0.95 0.00 0.00 175.26 177.91 3dog s LYS 9 N -1.36 4.22 -0.21 -4.83 2.20 -1.26 -0.72 119.74 117.78 3dog s LYS 9 Ca 0.03 2.37 -0.21 0.00 -0.36 0.00 0.00 55.97 57.81 3dog s LYS 9 Cb -0.01 -3.11 -0.18 0.00 -1.51 0.00 0.00 37.83 33.02 3dog s LYS 9 CO -0.03 -0.52 0.17 -0.89 -0.36 0.00 0.00 175.35 173.72 3dog n ILE 10 N 2.80 1.53 -3.61 5.43 5.41 0.13 -4.82 119.36 126.22 3dog n ILE 10 Ca 0.09 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3dog n ILE 10 Cb 0.39 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 3dog n ILE 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dog n GLY 11 N 1.42 -0.62 2.86 7.39 0.00 -1.11 -5.03 105.19 110.10 3dog n GLY 11 Ca -0.34 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 3dog n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dog s GLU 12 N -1.22 1.24 0.00 1.61 2.02 -1.26 -1.15 118.70 119.94 3dog s GLU 12 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.71 3dog s GLU 12 Cb 0.00 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.59 3dog s GLU 12 CO 0.00 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.33 3dog n GLY 13 N 4.97 1.23 0.23 -1.39 0.00 -1.25 -4.95 105.19 104.03 3dog n GLY 13 Ca -0.11 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 3dog n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dog h THR 14 N 0.00 1.30 -3.07 2.61 2.02 -1.99 -3.45 112.91 110.33 3dog h THR 14 Ca 0.00 -1.62 -0.11 0.00 0.77 0.00 0.00 66.41 65.45 3dog h THR 14 Cb 0.00 1.59 -0.19 0.00 -1.74 0.00 0.00 68.15 67.81 3dog h THR 14 CO 0.00 0.51 -0.26 -0.72 0.37 0.00 0.00 175.52 175.42 3dog s TYR 15 N -4.20 -0.17 0.06 3.16 1.13 -1.26 -5.11 117.35 110.95 3dog s TYR 15 Ca -0.08 0.22 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 3dog s TYR 15 Cb 0.12 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 41.08 3dog s TYR 15 CO 0.83 -0.42 0.00 0.41 -2.51 0.00 0.00 175.55 173.86 3dog n GLY 16 N 1.10 -1.89 3.13 5.49 0.00 -1.26 -4.94 105.19 106.82 3dog n GLY 16 Ca -0.21 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 3dog n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dog s VAL 17 N -0.66 1.37 -0.20 1.61 1.01 -0.05 -3.80 120.40 119.68 3dog s VAL 17 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 3dog s VAL 17 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3dog s VAL 17 CO 0.00 0.40 0.10 -0.69 0.00 0.00 0.00 175.10 174.90 3dog s VAL 18 N 0.01 5.05 0.02 2.92 1.01 -0.30 -0.48 120.40 128.62 3dog s VAL 18 Ca -0.03 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.10 3dog s VAL 18 Cb -0.11 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3dog s VAL 18 CO 0.02 0.44 -0.25 -0.31 0.00 0.00 0.00 175.10 175.00 3dog s TYR 19 N 0.47 2.20 0.06 5.22 1.51 -0.14 -0.70 117.35 125.98 3dog s TYR 19 Ca 0.05 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.43 3dog s TYR 19 Cb -0.12 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.32 3dog s TYR 19 CO -0.00 0.05 0.86 0.21 -1.11 0.00 0.00 175.55 175.56 3dog s LYS 20 N -0.94 4.58 0.22 -0.62 2.20 0.10 0.08 119.74 125.37 3dog s LYS 20 Ca 0.10 1.25 -0.06 0.00 -0.36 0.00 0.00 55.97 56.90 3dog s LYS 20 Cb -0.10 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3dog s LYS 20 CO 0.01 0.20 0.28 0.00 -0.36 0.00 0.00 175.35 175.48 3dog s ALA 21 N 0.14 0.53 -0.06 3.13 0.00 -0.30 0.36 121.76 125.56 3dog s ALA 21 Ca 0.43 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3dog s ALA 21 Cb -0.21 1.24 0.02 0.00 0.00 0.00 0.00 23.12 24.16 3dog s ALA 21 CO 0.26 -0.71 -0.09 0.50 0.00 0.00 0.00 175.76 175.73 3dog s ARG 22 N -4.09 1.34 -0.03 0.00 3.52 -0.67 -0.29 118.95 118.73 3dog s ARG 22 Ca 0.31 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 3dog s ARG 22 Cb 0.04 -1.20 -0.06 0.00 -1.56 0.00 0.00 34.95 32.17 3dog s ARG 22 CO 0.10 -0.04 1.59 1.21 -0.81 0.00 0.00 175.30 177.36 3dog s ASN 23 N 0.84 6.70 0.49 -2.12 3.84 0.99 -1.10 114.94 124.59 3dog s ASN 23 Ca -0.12 2.22 0.28 0.00 0.21 0.00 0.00 52.86 55.46 3dog s ASN 23 Cb -0.15 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.86 3dog s ASN 23 CO 0.01 -0.88 1.80 0.11 -2.79 0.00 0.00 177.10 175.35 3dog h LYS 24 N 8.98 0.00 0.00 0.43 1.57 -0.66 -1.32 116.57 125.58 3dog h LYS 24 Ca -0.39 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.00 3dog h LYS 24 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 3dog h LYS 24 CO 0.94 0.02 -2.46 1.28 -0.57 0.00 0.00 179.45 178.66 3dog n LEU 25 N -3.11 2.84 0.01 2.94 4.77 -1.26 -4.53 117.00 118.66 3dog n LEU 25 Ca 0.02 -0.12 0.11 0.00 -0.03 0.00 0.00 56.01 55.99 3dog n LEU 25 Cb 0.42 -0.85 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 3dog n LEU 25 CO 0.31 0.92 -0.32 0.35 -1.33 0.00 0.00 177.39 177.31 3dog n THR 26 N -3.24 0.10 -0.17 -5.08 -2.24 -1.25 -4.97 114.28 97.43 3dog n THR 26 Ca -0.45 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3dog n THR 26 Cb 1.00 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3dog n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dog n GLY 27 N 1.34 2.09 3.74 3.38 0.00 -0.50 -5.00 105.19 110.23 3dog n GLY 27 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3dog n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dog s GLU 28 N -0.20 4.18 -0.12 1.61 2.12 -1.25 -4.58 118.70 120.46 3dog s GLU 28 Ca 0.00 2.47 -0.21 0.00 0.36 0.00 0.00 54.97 57.59 3dog s GLU 28 Cb 0.00 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 3dog s GLU 28 CO 0.00 -0.60 0.60 0.08 -0.54 0.00 0.00 175.26 174.80 3dog s VAL 29 N 0.51 5.09 0.29 3.70 1.01 -1.26 -0.01 120.40 129.73 3dog s VAL 29 Ca 0.66 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.87 3dog s VAL 29 Cb -0.46 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3dog s VAL 29 CO 0.40 0.25 0.10 0.68 0.00 0.00 0.00 175.10 176.52 3dog s VAL 30 N 0.99 0.69 -0.11 2.92 -7.23 0.60 -3.30 120.40 114.96 3dog s VAL 30 Ca 0.31 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 3dog s VAL 30 Cb -0.16 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3dog s VAL 30 CO 0.13 0.00 -0.23 0.00 -0.31 0.00 0.00 175.10 174.69 3dog s ALA 31 N -3.59 2.14 -0.27 1.32 0.00 -0.69 -1.15 121.76 119.53 3dog s ALA 31 Ca 0.36 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 3dog s ALA 31 Cb 0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3dog s ALA 31 CO 0.15 0.21 0.13 -0.51 0.00 0.00 0.00 175.76 175.73 3dog s LEU 32 N 0.47 3.73 -0.46 0.00 1.43 0.11 -0.39 118.68 123.57 3dog s LEU 32 Ca -0.16 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 3dog s LEU 32 Cb -0.17 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.07 3dog s LEU 32 CO 0.06 -0.05 0.57 -0.75 0.23 0.00 0.00 176.35 176.41 3dog s LYS 33 N 1.68 3.16 -0.10 1.70 2.20 0.02 -0.96 119.74 127.43 3dog s LYS 33 Ca 0.07 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 54.80 3dog s LYS 33 Cb -0.16 -4.02 -0.05 0.00 -1.51 0.00 0.00 37.83 32.10 3dog s LYS 33 CO 0.07 -1.05 0.44 0.21 -0.36 0.00 0.00 175.35 174.67 3dog s LYS 34 N 2.53 4.27 -0.14 4.03 2.20 0.37 -0.64 119.74 132.35 3dog s LYS 34 Ca 0.16 0.40 0.02 0.00 -0.36 0.00 0.00 55.97 56.19 3dog s LYS 34 Cb -0.17 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3dog s LYS 34 CO 0.14 0.25 -0.20 0.42 -0.36 0.00 0.00 175.35 175.61 3dog s ILE 35 N 0.34 1.92 0.21 5.43 1.01 -0.15 -0.88 121.20 129.08 3dog s ILE 35 Ca 0.24 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.76 3dog s ILE 35 Cb -0.15 -1.72 -0.09 0.00 0.01 0.00 0.00 42.46 40.51 3dog s ILE 35 CO 0.10 0.52 0.83 -0.13 0.00 0.00 0.00 174.94 176.27 3dog s ARG 36 N 1.01 4.60 0.00 2.79 0.52 -1.26 -1.66 118.95 124.95 3dog s ARG 36 Ca -0.03 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 3dog s ARG 36 Cb -0.15 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.18 3dog s ARG 36 CO -0.05 0.49 0.00 1.28 0.02 0.00 0.00 175.30 177.04 3dog n LEU 37 N 1.30 0.00 -0.08 2.53 4.77 -1.18 -4.97 117.00 119.37 3dog n LEU 37 Ca -0.03 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 3dog n LEU 37 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3dog n LEU 37 CO 0.46 0.00 -0.46 0.35 -1.33 0.00 0.00 177.39 176.42 3dog n THR 39 N 0.00 1.45 0.00 -5.08 -2.24 -1.26 -4.91 114.28 102.24 3dog n THR 39 Ca 0.00 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3dog n THR 39 Cb 0.00 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 65.88 3dog n THR 39 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dog n GLU 40 N -4.56 0.00 0.00 -0.78 4.71 -1.26 -4.53 120.64 114.22 3dog n GLU 40 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 3dog n GLU 40 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.80 3dog n GLU 40 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3dog n THR 41 N 0.00 0.00 -1.21 2.62 -2.24 -1.26 -4.88 114.28 107.31 3dog n THR 41 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 3dog n THR 41 Cb 0.00 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.40 3dog n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dog n GLU 42 N 0.00 1.57 0.00 -0.78 -0.58 -1.26 -5.10 120.64 114.49 3dog n GLU 42 Ca 0.00 -2.82 0.00 0.00 -0.42 0.00 0.00 57.16 53.92 3dog n GLU 42 Cb 0.00 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 3dog n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dog n GLY 43 N -1.24 0.50 3.69 0.62 0.00 -1.26 -4.78 105.19 102.72 3dog n GLY 43 Ca 0.18 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3dog n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dog s VAL 44 N 0.00 4.04 0.40 1.61 1.01 -1.26 -4.96 120.40 121.24 3dog s VAL 44 Ca 0.00 1.39 -0.26 0.00 0.00 0.00 0.00 61.98 63.11 3dog s VAL 44 Cb 0.00 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 3dog s VAL 44 CO 0.00 0.00 1.29 -2.84 0.00 0.00 0.00 175.10 173.55 3dog s PRO 45 N 2.26 4.02 0.43 2.72 0.02 -1.26 -4.83 135.00 138.36 3dog s PRO 45 Ca 0.59 2.13 0.16 0.00 0.02 0.00 0.00 61.00 63.89 3dog s PRO 45 Cb -0.27 -2.79 1.06 0.00 0.02 0.00 0.00 34.50 32.52 3dog s PRO 45 CO 0.24 -0.44 1.93 0.66 -0.33 0.00 0.00 177.00 179.06 3dog h SER 46 N 2.76 0.37 -0.74 2.53 4.64 -1.95 -1.03 113.55 120.13 3dog h SER 46 Ca -0.49 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 3dog h SER 46 Cb 1.24 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3dog h SER 46 CO 0.63 0.20 0.38 0.71 -0.87 0.00 0.00 176.83 177.87 3dog h THR 47 N 0.40 1.23 -0.05 2.95 1.35 -1.90 0.23 112.91 117.12 3dog h THR 47 Ca 0.36 -0.63 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 3dog h THR 47 Cb 0.83 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.53 3dog h THR 47 CO -0.11 0.27 0.00 0.00 -0.25 0.00 0.00 175.52 175.43 3dog h ALA 48 N 1.19 0.07 -0.49 6.62 0.00 -1.53 -0.15 119.26 124.98 3dog h ALA 48 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3dog h ALA 48 Cb 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3dog h ALA 48 CO -0.04 -0.26 0.15 0.82 0.00 0.00 0.00 179.25 179.92 3dog h ILE 49 N -0.20 0.81 -0.26 0.00 2.04 -1.08 0.12 117.51 118.94 3dog h ILE 49 Ca 0.01 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3dog h ILE 49 Cb 0.33 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3dog h ILE 49 CO 0.00 0.06 0.07 0.03 0.00 0.00 0.00 178.15 178.31 3dog h ARG 50 N 0.32 0.40 0.03 2.37 3.08 -0.50 -2.39 114.38 117.69 3dog h ARG 50 Ca 0.24 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3dog h ARG 50 Cb 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3dog h ARG 50 CO -0.26 0.49 -0.01 1.49 -1.07 0.00 0.00 179.97 180.61 3dog h GLU 51 N 0.24 -0.03 -0.03 0.04 4.81 -0.40 -2.05 114.58 117.16 3dog h GLU 51 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3dog h GLU 51 Cb 0.26 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3dog h GLU 51 CO -0.00 0.18 0.02 0.82 -0.73 0.00 0.00 179.01 179.29 3dog h ILE 52 N -0.24 1.05 -0.12 2.32 2.04 -0.84 -0.25 117.51 121.47 3dog h ILE 52 Ca -0.00 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3dog h ILE 52 Cb 0.23 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3dog h ILE 52 CO 0.01 0.04 0.05 0.77 0.00 0.00 0.00 178.15 179.02 3dog h SER 53 N -0.01 0.07 -0.30 1.72 4.64 -1.45 -1.96 113.55 116.26 3dog h SER 53 Ca 0.01 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 3dog h SER 53 Cb 0.05 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3dog h SER 53 CO -0.00 0.06 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.68 3dog h LEU 54 N 0.12 0.75 -1.69 5.97 3.38 -1.34 -3.18 115.31 119.33 3dog h LEU 54 Ca 0.05 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3dog h LEU 54 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3dog h LEU 54 CO -0.04 1.06 -0.17 -0.07 0.09 0.00 0.00 178.44 179.31 3dog h LEU 55 N 0.46 0.00 -1.51 1.67 4.07 -1.00 -1.83 115.31 117.18 3dog h LEU 55 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3dog h LEU 55 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 3dog h LEU 55 CO 0.07 0.17 0.00 0.11 -1.08 0.00 0.00 178.44 177.71 3dog h LYS 56 N 0.00 0.00 0.01 1.13 1.57 -1.33 -3.18 116.57 114.77 3dog h LYS 56 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3dog h LYS 56 Cb 0.44 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 3dog h LYS 56 CO 0.02 0.00 -2.08 0.39 -0.57 0.00 0.00 179.45 177.21 3dog n GLU 57 N -2.91 0.67 -3.09 3.15 1.02 -0.72 -4.76 120.64 114.01 3dog n GLU 57 Ca 0.00 0.16 -0.45 0.00 -0.02 0.00 0.00 57.16 56.86 3dog n GLU 57 Cb 0.26 -1.65 -0.01 0.00 -0.02 0.00 0.00 31.44 30.02 3dog n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dog s LEU 58 N -6.00 5.59 -0.49 -4.62 1.43 -1.03 -4.96 118.68 108.60 3dog s LEU 58 Ca -0.12 -2.91 -0.19 0.00 -1.03 0.00 0.00 54.13 49.88 3dog s LEU 58 Cb 0.07 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 44.02 3dog s LEU 58 CO 0.80 -0.68 0.60 0.21 0.23 0.00 0.00 176.35 177.51 3dog s ASN 59 N 2.54 6.22 -0.06 2.29 3.04 -1.26 -4.92 114.94 122.79 3dog s ASN 59 Ca 0.35 -0.87 -0.12 0.00 0.04 0.00 0.00 52.86 52.26 3dog s ASN 59 Cb -0.06 -2.28 0.02 0.00 -1.54 0.00 0.00 41.25 37.39 3dog s ASN 59 CO -0.05 -0.84 0.28 -2.28 -3.04 0.00 0.00 177.10 171.17 3dog s HIS 60 N 2.54 -0.22 -0.18 0.43 2.46 -1.26 -5.05 115.29 114.01 3dog s HIS 60 Ca 0.15 0.47 0.26 0.00 0.47 0.00 0.00 55.06 56.41 3dog s HIS 60 Cb -0.19 0.08 1.26 0.00 -0.13 0.00 0.00 32.58 33.61 3dog s HIS 60 CO 0.12 -0.26 1.79 -1.00 -2.47 0.00 0.00 174.74 172.92 3dog h PRO 61 N 4.81 0.00 -0.23 2.88 0.13 -1.99 -2.61 132.00 134.98 3dog h PRO 61 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3dog h PRO 61 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dog h PRO 61 CO 0.36 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.22 3dog n ASN 62 N -2.43 3.20 -4.17 1.44 4.13 -1.26 -4.86 115.26 111.32 3dog n ASN 62 Ca -0.00 -2.60 -0.31 0.00 1.68 0.00 0.00 54.58 53.35 3dog n ASN 62 Cb 0.14 -0.38 -0.17 0.00 -1.54 0.00 0.00 39.78 37.84 3dog n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3dog s ILE 63 N -2.07 1.94 0.26 2.41 1.01 -0.98 -1.15 121.20 122.61 3dog s ILE 63 Ca 0.31 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 3dog s ILE 63 Cb 0.23 -1.70 -0.14 0.00 0.01 0.00 0.00 42.46 40.85 3dog s ILE 63 CO 0.09 0.53 1.14 0.55 0.00 0.00 0.00 174.94 177.25 3dog n VAL 64 N 3.87 1.55 -3.33 2.92 3.14 -0.65 -4.48 118.33 121.35 3dog n VAL 64 Ca -0.20 -0.39 -0.38 0.00 -2.96 0.00 0.00 64.34 60.42 3dog n VAL 64 Cb 0.52 -1.09 -0.06 0.00 -1.06 0.00 0.00 33.84 32.15 3dog n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3dog s LYS 65 N -1.10 4.33 -0.36 1.45 2.20 -1.26 -4.98 119.74 120.02 3dog s LYS 65 Ca 0.63 0.42 -0.23 0.00 -0.36 0.00 0.00 55.97 56.44 3dog s LYS 65 Cb -0.72 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.18 3dog s LYS 65 CO 0.57 0.18 0.80 -1.17 -0.36 0.00 0.00 175.35 175.36 3dog s LEU 66 N 0.57 4.11 -0.13 5.43 2.96 -1.26 -1.61 118.68 128.75 3dog s LEU 66 Ca 0.25 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 3dog s LEU 66 Cb -0.15 -3.05 -0.24 0.00 0.50 0.00 0.00 46.19 43.24 3dog s LEU 66 CO 0.10 -0.73 0.32 0.18 -1.32 0.00 0.00 176.35 174.90 3dog n LEU 67 N 6.42 2.38 -3.48 -0.68 4.77 0.84 -4.95 117.00 122.30 3dog n LEU 67 Ca 0.03 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 3dog n LEU 67 Cb 0.48 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 3dog n LEU 67 CO 0.54 0.80 0.36 -0.62 -1.33 0.00 0.00 177.39 177.13 3dog s ASP 68 N -6.80 -0.49 -0.11 -1.43 2.15 -1.08 -5.01 116.67 103.90 3dog s ASP 68 Ca -0.21 -0.09 -0.00 0.00 0.43 0.00 0.00 52.55 52.67 3dog s ASP 68 Cb 0.07 0.58 0.02 0.00 -0.30 0.00 0.00 42.92 43.30 3dog s ASP 68 CO 0.76 -0.97 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.02 3dog s VAL 69 N -3.77 1.04 -0.14 1.11 1.01 -1.26 -0.84 120.40 117.54 3dog s VAL 69 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3dog s VAL 69 Cb -0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3dog s VAL 69 CO -0.12 0.37 -0.12 -0.63 0.00 0.00 0.00 175.10 174.60 3dog s ILE 70 N 1.64 3.06 -0.35 2.22 1.01 0.43 -4.97 121.20 124.24 3dog s ILE 70 Ca 0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 3dog s ILE 70 Cb -0.13 -2.30 0.13 0.00 0.01 0.00 0.00 42.46 40.18 3dog s ILE 70 CO -0.07 0.51 0.20 -2.28 0.00 0.00 0.00 174.94 173.30 3dog s HIS 71 N 0.52 0.89 0.33 3.97 2.46 -1.26 0.63 115.29 122.82 3dog s HIS 71 Ca -0.08 -1.64 -0.02 0.00 0.47 0.00 0.00 55.06 53.79 3dog s HIS 71 Cb -0.16 -1.09 0.07 0.00 -0.13 0.00 0.00 32.58 31.28 3dog s HIS 71 CO 0.04 -0.82 0.45 2.41 -2.47 0.00 0.00 174.74 174.35 3dog n THR 72 N 4.17 0.00 -0.04 0.89 -1.04 -0.77 -5.02 114.28 112.47 3dog n THR 72 Ca 0.08 -0.61 -0.13 0.00 -2.04 0.00 0.00 64.05 61.35 3dog n THR 72 Cb 0.37 -1.31 -0.09 0.00 -1.82 0.00 0.00 70.33 67.48 3dog n THR 72 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3dog h GLU 73 N 0.00 0.19 0.14 -2.82 4.81 -2.01 -3.39 114.58 111.50 3dog h GLU 73 Ca -0.15 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 3dog h GLU 73 Cb 0.51 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3dog h GLU 73 CO 0.15 0.65 -0.08 -2.95 -0.73 0.00 0.00 179.01 176.04 3dog h ASN 74 N -0.25 -0.19 -2.23 1.04 -1.07 -1.95 -3.46 115.58 107.47 3dog h ASN 74 Ca 0.01 0.01 -0.59 0.00 0.07 0.00 0.00 56.30 55.80 3dog h ASN 74 Cb 0.62 0.05 -0.14 0.00 -2.07 0.00 0.00 38.32 36.78 3dog h ASN 74 CO 0.02 -0.12 -0.71 -0.54 0.07 0.00 0.00 177.43 176.15 3dog s LYS 75 N -3.46 1.71 -0.10 4.14 1.02 -1.26 -3.10 119.74 118.70 3dog s LYS 75 Ca -0.03 -1.85 0.01 0.00 0.02 0.00 0.00 55.97 54.12 3dog s LYS 75 Cb 0.00 -1.61 0.02 0.00 -0.52 0.00 0.00 37.83 35.72 3dog s LYS 75 CO 0.09 0.18 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.44 3dog s LEU 76 N -3.54 1.40 -0.11 3.17 2.96 -0.66 -1.85 118.68 120.04 3dog s LEU 76 Ca 0.31 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3dog s LEU 76 Cb 0.00 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 3dog s LEU 76 CO 0.15 -0.06 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.74 3dog s TYR 77 N 1.31 2.93 -0.33 5.38 2.02 0.20 -0.98 117.35 127.88 3dog s TYR 77 Ca -0.02 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3dog s TYR 77 Cb -0.14 -1.82 0.05 0.00 -0.40 0.00 0.00 41.96 39.65 3dog s TYR 77 CO -0.04 0.08 0.08 -0.51 -1.57 0.00 0.00 175.55 173.59 3dog s LEU 78 N -0.15 4.27 -0.32 -1.29 1.43 0.18 -0.43 118.68 122.39 3dog s LEU 78 Ca 0.01 -1.24 -0.28 0.00 -1.03 0.00 0.00 54.13 51.60 3dog s LEU 78 Cb -0.13 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3dog s LEU 78 CO 0.03 -0.33 1.02 -0.69 0.23 0.00 0.00 176.35 176.62 3dog s VAL 79 N 1.35 4.56 0.28 -1.59 1.01 -0.02 -0.80 120.40 125.19 3dog s VAL 79 Ca -0.02 1.63 0.09 0.00 0.00 0.00 0.00 61.98 63.68 3dog s VAL 79 Cb -0.20 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 3dog s VAL 79 CO 0.01 -0.44 0.03 -0.36 0.00 0.00 0.00 175.10 174.34 3dog s PHE 80 N 3.53 2.70 0.34 5.22 0.40 0.47 -0.11 117.98 130.54 3dog s PHE 80 Ca 0.43 -0.26 -0.28 0.00 -0.60 0.00 0.00 56.93 56.22 3dog s PHE 80 Cb -0.12 -1.29 -0.10 0.00 0.51 0.00 0.00 43.02 42.02 3dog s PHE 80 CO 0.15 0.56 1.24 -1.83 0.70 0.00 0.00 175.22 176.04 3dog s GLU 81 N -3.71 4.31 0.14 0.44 -1.05 -0.63 -1.70 118.70 116.49 3dog s GLU 81 Ca 0.33 2.07 -0.26 0.00 -0.15 0.00 0.00 54.97 56.95 3dog s GLU 81 Cb -0.05 -2.99 -0.07 0.00 -0.44 0.00 0.00 34.13 30.58 3dog s GLU 81 CO 0.21 -0.17 0.80 0.12 0.95 0.00 0.00 175.26 177.17 3dog s PHE 82 N -1.21 3.87 0.09 4.83 5.36 -1.21 -4.39 117.98 125.33 3dog s PHE 82 Ca 0.50 1.64 0.08 0.00 -0.96 0.00 0.00 56.93 58.19 3dog s PHE 82 Cb -0.37 -2.82 -0.03 0.00 -0.34 0.00 0.00 43.02 39.46 3dog s PHE 82 CO 0.48 0.43 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.96 3dog s LEU 83 N -0.79 2.28 0.07 6.12 1.02 -1.26 -4.96 118.68 121.16 3dog s LEU 83 Ca 0.38 -0.66 -0.15 0.00 0.02 0.00 0.00 54.13 53.72 3dog s LEU 83 Cb -0.23 -0.82 -0.19 0.00 0.02 0.00 0.00 46.19 44.97 3dog s LEU 83 CO 0.26 0.04 1.24 0.45 0.02 0.00 0.00 176.35 178.37 3dog h HIS 84 N 4.20 0.94 -3.41 0.29 3.86 -1.80 -3.47 115.15 115.76 3dog h HIS 84 Ca -0.45 -0.45 -0.03 0.00 -1.16 0.00 0.00 60.37 58.28 3dog h HIS 84 Cb 1.18 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 29.45 3dog h HIS 84 CO 0.61 1.27 0.04 1.14 0.86 0.00 0.00 177.93 181.84 3dog s GLN 85 N -3.59 1.76 0.37 2.45 -2.07 -1.07 -5.03 119.66 112.48 3dog s GLN 85 Ca -0.11 -1.25 -0.01 0.00 -1.82 0.00 0.00 55.36 52.17 3dog s GLN 85 Cb 0.07 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.49 3dog s GLN 85 CO 0.88 -0.77 0.60 0.16 -1.32 0.00 0.00 175.29 174.84 3dog s ASP 86 N -3.02 6.31 0.27 12.60 1.47 -1.26 0.01 116.67 133.04 3dog s ASP 86 Ca 0.19 0.59 -0.04 0.00 1.18 0.00 0.00 52.55 54.47 3dog s ASP 86 Cb -0.03 -2.09 0.36 0.00 -0.34 0.00 0.00 42.92 40.82 3dog s ASP 86 CO 0.10 -0.34 1.91 0.25 0.68 0.00 0.00 175.17 177.77 3dog h LEU 87 N 0.75 1.07 0.03 2.11 5.85 0.07 -2.40 115.31 122.78 3dog h LEU 87 Ca -0.49 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.23 3dog h LEU 87 Cb 1.21 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3dog h LEU 87 CO 0.62 0.73 -0.09 0.50 -0.34 0.00 0.00 178.44 179.87 3dog h LYS 88 N 1.24 -0.16 0.00 1.25 1.63 -1.83 -0.61 116.57 118.09 3dog h LYS 88 Ca 0.39 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.18 3dog h LYS 88 Cb 0.01 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3dog h LYS 88 CO -0.12 -0.10 -0.11 -0.22 -3.45 0.00 0.00 179.45 175.45 3dog h LYS 89 N -0.16 0.00 -0.13 1.90 3.11 -1.85 -2.52 116.57 116.92 3dog h LYS 89 Ca 0.02 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.68 3dog h LYS 89 Cb 0.19 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.43 3dog h LYS 89 CO -0.07 0.11 -0.66 0.35 -2.81 0.00 0.00 179.45 176.38 3dog h PHE 90 N 0.00 0.90 -0.70 1.91 3.57 -0.91 -2.72 116.94 118.99 3dog h PHE 90 Ca -0.00 -0.40 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 3dog h PHE 90 Cb 0.21 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3dog h PHE 90 CO 0.00 1.21 0.39 0.52 -2.23 0.00 0.00 178.31 178.20 3dog h MET 91 N 0.34 0.96 -0.45 1.11 2.86 -0.72 -1.44 114.93 117.59 3dog h MET 91 Ca -0.05 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.36 3dog h MET 91 Cb 1.29 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 3dog h MET 91 CO 0.14 0.69 -0.25 -0.44 1.06 0.00 0.00 176.91 178.11 3dog h ASP 92 N 0.97 0.99 0.96 1.22 3.32 -1.50 -2.85 116.42 119.52 3dog h ASP 92 Ca 0.25 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3dog h ASP 92 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3dog h ASP 92 CO -0.04 1.17 0.00 0.00 -1.72 0.00 0.00 179.24 178.65 3dog h ALA 93 N 0.89 1.00 -0.61 3.45 0.00 -1.09 -2.10 119.26 120.80 3dog h ALA 93 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dog h ALA 93 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3dog h ALA 93 CO 0.07 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.75 3dog n SER 94 N -2.95 3.74 -0.20 0.00 7.64 -0.59 -4.64 113.62 116.62 3dog n SER 94 Ca 0.01 -2.16 0.01 0.00 1.01 0.00 0.00 58.87 57.74 3dog n SER 94 Cb 0.29 -0.47 0.10 0.00 -1.01 0.00 0.00 64.21 63.12 3dog n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dog h ALA 95 N 4.08 0.64 -0.03 -0.43 0.00 -1.20 0.71 119.26 123.03 3dog h ALA 95 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3dog h ALA 95 Cb 1.04 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3dog h ALA 95 CO 0.09 -0.37 -0.18 1.25 0.00 0.00 0.00 179.25 180.04 3dog h LEU 96 N 0.17 0.21 0.18 0.00 6.46 -1.84 -3.36 115.31 117.13 3dog h LEU 96 Ca 0.32 -0.69 -0.33 0.00 -0.12 0.00 0.00 57.88 57.06 3dog h LEU 96 Cb 0.50 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3dog h LEU 96 CO -0.48 0.86 -1.59 0.71 -0.62 0.00 0.00 178.44 177.33 3dog h THR 97 N -0.43 1.12 0.00 1.05 1.35 -1.84 -3.51 112.91 110.65 3dog h THR 97 Ca -0.02 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 3dog h THR 97 Cb 0.87 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 3dog h THR 97 CO 0.04 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 3dog n GLY 98 N 1.75 -1.69 3.70 5.82 0.00 0.24 -4.92 105.19 110.11 3dog n GLY 98 Ca -0.19 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3dog n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dog s ILE 99 N -3.36 4.51 0.43 -0.61 1.01 -1.26 -4.96 121.20 116.96 3dog s ILE 99 Ca 0.00 1.81 -0.25 0.00 0.00 0.00 0.00 60.65 62.21 3dog s ILE 99 Cb 0.00 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 3dog s ILE 99 CO 0.00 0.10 1.28 -2.16 0.00 0.00 0.00 174.94 174.17 3dog s PRO 100 N 1.33 3.82 0.23 2.79 0.04 -1.26 -4.83 135.00 137.11 3dog s PRO 100 Ca 0.54 2.09 -0.07 0.00 0.04 0.00 0.00 61.00 63.61 3dog s PRO 100 Cb -0.24 -2.62 0.36 0.00 0.04 0.00 0.00 34.50 32.04 3dog s PRO 100 CO 0.26 -0.60 1.75 1.25 0.04 0.00 0.00 177.00 179.70 3dog h LEU 101 N 2.39 0.30 -1.56 -3.56 6.46 -2.00 -0.19 115.31 117.16 3dog h LEU 101 Ca -0.50 0.09 0.14 0.00 -0.12 0.00 0.00 57.88 57.49 3dog h LEU 101 Cb 1.25 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 41.19 3dog h LEU 101 CO 0.61 0.15 0.50 -0.65 -0.62 0.00 0.00 178.44 178.44 3dog h PRO 102 N 0.46 0.43 -0.11 5.25 0.11 -1.99 0.96 132.00 137.12 3dog h PRO 102 Ca 0.36 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.35 3dog h PRO 102 Cb 0.47 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3dog h PRO 102 CO -0.34 0.29 -0.29 1.25 -0.21 0.00 0.00 178.00 178.70 3dog h LEU 103 N 0.44 0.44 -0.07 2.35 5.85 -1.40 -0.00 115.31 122.92 3dog h LEU 103 Ca 0.37 -0.59 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3dog h LEU 103 Cb 0.80 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3dog h LEU 103 CO -0.12 0.96 -0.12 0.40 -0.34 0.00 0.00 178.44 179.21 3dog h ILE 104 N -0.05 0.68 0.13 4.05 2.04 -1.04 0.11 117.51 123.43 3dog h ILE 104 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3dog h ILE 104 Cb 0.91 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3dog h ILE 104 CO 0.06 0.00 -0.29 0.50 0.00 0.00 0.00 178.15 178.42 3dog h LYS 105 N -0.17 -0.50 -0.45 2.37 3.64 -0.81 0.22 116.57 120.87 3dog h LYS 105 Ca 0.07 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3dog h LYS 105 Cb 0.27 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.11 3dog h LYS 105 CO -0.17 -0.33 -0.16 1.03 -2.27 0.00 0.00 179.45 177.55 3dog h SER 106 N -0.51 -0.55 -0.66 4.20 0.87 -0.81 -1.07 113.55 115.01 3dog h SER 106 Ca 0.03 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3dog h SER 106 Cb 0.54 0.33 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 3dog h SER 106 CO -0.17 -0.19 0.38 1.88 -0.53 0.00 0.00 176.83 178.20 3dog h TYR 107 N -0.06 0.89 -0.04 2.24 0.05 -0.26 -2.10 116.97 117.69 3dog h TYR 107 Ca 0.22 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 3dog h TYR 107 Cb 0.39 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 3dog h TYR 107 CO -0.43 0.62 0.00 1.25 -1.05 0.00 0.00 178.16 178.55 3dog h LEU 108 N 0.90 0.07 -0.65 3.88 5.85 0.01 -0.78 115.31 124.58 3dog h LEU 108 Ca 0.23 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 58.80 3dog h LEU 108 Cb 0.01 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 40.92 3dog h LEU 108 CO -0.04 0.34 0.09 0.15 -0.34 0.00 0.00 178.44 178.64 3dog h PHE 109 N -0.20 0.11 -0.42 1.25 3.57 -1.18 -0.59 116.94 119.49 3dog h PHE 109 Ca 0.01 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3dog h PHE 109 Cb 0.31 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3dog h PHE 109 CO 0.03 -0.11 -0.11 1.96 -2.23 0.00 0.00 178.31 177.84 3dog h GLN 110 N 0.20 0.81 -0.68 1.11 4.20 -1.16 -1.28 115.11 118.31 3dog h GLN 110 Ca 0.35 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.79 3dog h GLN 110 Cb 0.57 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 3dog h GLN 110 CO -0.50 0.94 0.41 -0.07 -0.67 0.00 0.00 178.83 178.94 3dog h LEU 111 N 0.63 0.66 -1.16 1.46 3.38 -0.48 -0.92 115.31 118.88 3dog h LEU 111 Ca 0.10 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3dog h LEU 111 Cb 0.65 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3dog h LEU 111 CO 0.04 0.44 -0.23 -0.07 0.09 0.00 0.00 178.44 178.72 3dog h LEU 112 N 0.79 0.29 0.26 1.67 3.38 -0.88 -0.34 115.31 120.48 3dog h LEU 112 Ca 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3dog h LEU 112 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dog h LEU 112 CO -0.13 0.54 -0.13 1.56 0.09 0.00 0.00 178.44 180.37 3dog h GLN 113 N 0.27 -0.34 -0.77 1.13 4.20 -0.39 0.10 115.11 119.31 3dog h GLN 113 Ca 0.04 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3dog h GLN 113 Cb 0.56 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3dog h GLN 113 CO 0.04 -0.10 0.51 0.78 -0.67 0.00 0.00 178.83 179.39 3dog h GLY 114 N -0.55 1.07 0.64 3.46 0.00 -0.98 -0.10 103.07 106.61 3dog h GLY 114 Ca -0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3dog h GLY 114 CO 0.06 0.31 -0.30 -2.00 0.00 0.00 0.00 176.54 174.60 3dog h LEU 115 N 0.92 0.36 -1.20 3.11 5.85 -0.99 -1.18 115.31 122.18 3dog h LEU 115 Ca 0.31 -0.67 0.10 0.00 0.84 0.00 0.00 57.88 58.47 3dog h LEU 115 Cb 0.09 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 3dog h LEU 115 CO -0.09 0.97 0.58 0.00 -0.34 0.00 0.00 178.44 179.55 3dog h ALA 116 N 0.40 1.65 -0.46 1.25 0.00 -0.46 0.22 119.26 121.86 3dog h ALA 116 Ca -0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3dog h ALA 116 Cb 0.97 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3dog h ALA 116 CO 0.06 0.15 -0.01 0.35 0.00 0.00 0.00 179.25 179.80 3dog h PHE 117 N 0.87 0.90 0.21 0.00 3.57 -0.90 0.15 116.94 121.73 3dog h PHE 117 Ca 0.42 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3dog h PHE 117 Cb 0.45 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3dog h PHE 117 CO -0.00 0.87 -0.11 0.00 -2.23 0.00 0.00 178.31 176.84 3dog h HIS 119 N -0.29 0.27 0.00 0.00 3.86 -0.52 0.01 115.15 118.48 3dog h HIS 119 Ca -0.03 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3dog h HIS 119 Cb 0.23 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3dog h HIS 119 CO -0.07 0.45 0.00 0.77 0.86 0.00 0.00 177.93 179.94 3dog h SER 120 N 0.24 0.00 -0.28 2.45 0.02 -0.59 -2.64 113.55 112.75 3dog h SER 120 Ca 0.04 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 3dog h SER 120 Cb 0.49 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.94 3dog h SER 120 CO 0.03 0.00 -0.21 1.41 -1.14 0.00 0.00 176.83 176.93 3dog n HIS 121 N -2.57 0.89 -3.89 3.45 8.25 -0.07 -4.97 115.22 116.31 3dog n HIS 121 Ca 0.00 -1.63 -0.30 0.00 -0.26 0.00 0.00 57.72 55.53 3dog n HIS 121 Cb 0.18 -0.44 0.02 0.00 1.12 0.00 0.00 29.99 30.87 3dog n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3dog n ARG 122 N -1.11 -5.39 -4.24 -0.41 -4.01 -0.99 -4.91 116.66 95.59 3dog n ARG 122 Ca 0.30 0.59 -0.28 0.00 -1.04 0.00 0.00 57.85 57.42 3dog n ARG 122 Cb 0.94 -5.48 -0.17 0.00 -3.04 0.00 0.00 32.46 24.72 3dog n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3dog s VAL 123 N -3.28 1.40 -0.18 8.89 1.01 -0.87 0.13 120.40 127.51 3dog s VAL 123 Ca 0.66 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 3dog s VAL 123 Cb -0.33 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3dog s VAL 123 CO 0.81 0.43 0.16 -0.76 0.00 0.00 0.00 175.10 175.74 3dog s LEU 124 N 1.24 4.25 -0.05 3.92 1.43 -0.47 -3.64 118.68 125.36 3dog s LEU 124 Ca -0.02 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 3dog s LEU 124 Cb -0.14 -2.13 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 3dog s LEU 124 CO -0.05 0.21 0.49 -0.74 0.23 0.00 0.00 176.35 176.49 3dog h HIS 125 N 6.36 -0.37 -0.09 0.29 -0.00 -1.92 -1.71 115.15 117.70 3dog h HIS 125 Ca -0.44 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 59.89 3dog h HIS 125 Cb 1.17 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.68 3dog h HIS 125 CO 0.62 -0.21 -0.03 0.54 -0.00 0.00 0.00 177.93 178.84 3dog n ARG 126 N -5.04 -0.45 -2.64 5.26 1.74 -1.26 -2.90 116.66 111.37 3dog n ARG 126 Ca -0.05 0.33 -0.01 0.00 -0.77 0.00 0.00 57.85 57.34 3dog n ARG 126 Cb 0.17 -3.82 0.09 0.00 -1.02 0.00 0.00 32.46 27.87 3dog n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dog n ASP 127 N 0.26 -0.32 -4.61 0.55 2.03 -1.26 -2.06 116.55 111.14 3dog n ASP 127 Ca -0.02 -2.14 -0.43 0.00 0.52 0.00 0.00 54.79 52.73 3dog n ASP 127 Cb 0.14 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.75 3dog n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3dog s LEU 128 N -3.76 3.62 0.14 -2.67 1.43 -1.26 -4.79 118.68 111.39 3dog s LEU 128 Ca 0.16 1.47 -0.17 0.00 -1.03 0.00 0.00 54.13 54.55 3dog s LEU 128 Cb 0.39 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 43.12 3dog s LEU 128 CO -0.09 -1.59 0.44 -1.59 0.23 0.00 0.00 176.35 173.74 3dog s LYS 129 N 5.43 1.13 0.38 1.70 -2.85 -1.26 -4.80 119.74 119.46 3dog s LYS 129 Ca 0.80 -0.68 0.10 0.00 -1.00 0.00 0.00 55.97 55.19 3dog s LYS 129 Cb -0.25 0.49 0.87 0.00 -2.06 0.00 0.00 37.83 36.89 3dog s LYS 129 CO 0.33 -0.45 1.90 -1.35 0.10 0.00 0.00 175.35 175.87 3dog h PRO 130 N 2.29 0.61 0.00 1.78 0.11 -1.93 0.23 132.00 135.09 3dog h PRO 130 Ca -0.34 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3dog h PRO 130 Cb 1.27 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dog h PRO 130 CO 0.45 0.40 -0.04 1.96 -0.21 0.00 0.00 178.00 180.56 3dog h GLN 131 N 0.62 0.00 -0.57 1.05 7.50 -1.94 -2.27 115.11 119.51 3dog h GLN 131 Ca 0.41 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.56 3dog h GLN 131 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.21 3dog h GLN 131 CO -0.17 0.04 0.00 0.09 -1.50 0.00 0.00 178.83 177.29 3dog n ASN 132 N -3.61 3.67 -4.22 1.46 3.02 0.79 -4.83 115.26 111.55 3dog n ASN 132 Ca -0.02 -2.08 -0.35 0.00 -0.03 0.00 0.00 54.58 52.09 3dog n ASN 132 Cb 0.14 -0.41 -0.14 0.00 -0.61 0.00 0.00 39.78 38.76 3dog n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dog s LEU 133 N -1.15 3.51 -0.15 3.41 1.43 -0.89 -0.42 118.68 124.42 3dog s LEU 133 Ca 0.40 -0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 3dog s LEU 133 Cb 0.22 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3dog s LEU 133 CO 0.25 -0.18 0.01 -0.76 0.23 0.00 0.00 176.35 175.91 3dog s LEU 134 N 1.34 3.58 0.07 1.79 1.43 -0.16 0.13 118.68 126.85 3dog s LEU 134 Ca -0.01 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3dog s LEU 134 Cb -0.18 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3dog s LEU 134 CO -0.02 0.23 -0.01 0.27 0.23 0.00 0.00 176.35 177.05 3dog s ILE 135 N -0.01 3.97 0.49 -0.59 -4.36 0.10 0.09 121.20 120.89 3dog s ILE 135 Ca 0.04 -0.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.53 3dog s ILE 135 Cb -0.13 -2.86 -0.01 0.00 1.25 0.00 0.00 42.46 40.71 3dog s ILE 135 CO 0.02 0.18 0.13 0.54 0.24 0.00 0.00 174.94 176.05 3dog s ASN 136 N -2.12 4.28 0.13 4.36 2.20 -0.65 -2.13 114.94 121.00 3dog s ASN 136 Ca 0.24 -1.42 0.24 0.00 -0.94 0.00 0.00 52.86 50.98 3dog s ASN 136 Cb -0.12 0.23 0.93 0.00 -2.00 0.00 0.00 41.25 40.29 3dog s ASN 136 CO 0.16 -0.82 1.75 0.35 -2.94 0.00 0.00 177.10 175.60 3dog n THR 137 N -1.35 0.56 0.83 0.54 -2.24 -1.26 -3.05 114.28 108.32 3dog n THR 137 Ca -0.10 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.79 3dog n THR 137 Cb 0.66 -0.76 0.18 0.00 -2.10 0.00 0.00 70.33 68.30 3dog n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dog n GLU 138 N -1.93 0.11 0.00 -0.78 -0.58 -1.26 -4.42 120.64 111.78 3dog n GLU 138 Ca 0.05 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3dog n GLU 138 Cb 0.32 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3dog n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dog n GLY 139 N 1.44 1.10 3.78 0.62 0.00 -1.17 -4.36 105.19 106.61 3dog n GLY 139 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3dog n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dog s ALA 140 N -2.00 3.18 0.01 4.61 0.00 -1.26 -4.86 121.76 121.44 3dog s ALA 140 Ca 0.00 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.59 3dog s ALA 140 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3dog s ALA 140 CO 0.00 0.09 -0.22 -1.50 0.00 0.00 0.00 175.76 174.12 3dog s ILE 141 N -1.66 1.79 -0.00 0.00 2.07 -1.26 -1.64 121.20 120.50 3dog s ILE 141 Ca 0.52 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 3dog s ILE 141 Cb -0.19 -1.52 0.00 0.00 0.13 0.00 0.00 42.46 40.89 3dog s ILE 141 CO 0.24 0.37 -0.00 -0.54 -1.91 0.00 0.00 174.94 173.10 3dog s LYS 142 N -0.87 0.05 -0.00 3.50 1.02 0.11 -4.65 119.74 118.90 3dog s LYS 142 Ca 0.09 0.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.78 3dog s LYS 142 Cb -0.09 -0.09 -0.07 0.00 -0.52 0.00 0.00 37.83 37.06 3dog s LYS 142 CO 0.01 -0.01 1.67 -0.51 -0.92 0.00 0.00 175.35 175.59 3dog s LEU 143 N 0.14 4.35 0.39 3.17 1.43 -0.30 -0.99 118.68 126.87 3dog s LEU 143 Ca -0.01 2.35 0.05 0.00 -1.03 0.00 0.00 54.13 55.48 3dog s LEU 143 Cb -0.02 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 3dog s LEU 143 CO -0.00 -0.92 0.04 0.00 0.23 0.00 0.00 176.35 175.70 3dog s ALA 144 N 3.57 2.99 -0.21 4.21 0.00 0.44 -1.63 121.76 131.13 3dog s ALA 144 Ca 0.75 -1.84 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 3dog s ALA 144 Cb -0.36 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3dog s ALA 144 CO 0.31 -0.19 0.10 -3.47 0.00 0.00 0.00 175.76 172.51 3dog n ASP 145 N -0.94 -4.99 -1.16 0.00 -0.08 -1.26 -4.80 116.55 103.32 3dog n ASP 145 Ca -0.06 1.27 0.08 0.00 -1.51 0.00 0.00 54.79 54.58 3dog n ASP 145 Cb 0.67 -4.67 0.28 0.00 2.34 0.00 0.00 41.12 39.74 3dog n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3dog n PHE 146 N 1.29 1.04 0.29 -0.67 3.01 -1.26 -4.57 117.46 116.59 3dog n PHE 146 Ca -0.16 -0.62 0.15 0.00 1.01 0.00 0.00 57.45 57.83 3dog n PHE 146 Cb 0.30 -0.17 0.88 0.00 -0.01 0.00 0.00 39.48 40.47 3dog n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3dog h GLY 147 N 3.06 0.00 -1.42 1.37 0.00 -1.93 -1.51 103.07 102.64 3dog h GLY 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dog h GLY 147 CO 0.14 0.00 -0.17 1.04 0.00 0.00 0.00 176.54 177.55 3dog n LEU 148 N -3.76 2.45 -4.70 3.11 4.77 -1.26 -4.50 117.00 113.11 3dog n LEU 148 Ca -0.03 -0.91 -0.29 0.00 -0.03 0.00 0.00 56.01 54.75 3dog n LEU 148 Cb 0.13 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.37 3dog n LEU 148 CO 0.28 0.43 0.66 0.00 -1.33 0.00 0.00 177.39 177.43 3dog s ALA 149 N -2.00 1.35 0.00 -1.18 0.00 -0.57 -4.73 121.76 114.63 3dog s ALA 149 Ca 0.22 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 3dog s ALA 149 Cb 0.17 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.18 3dog s ALA 149 CO 0.37 -2.51 0.51 -0.98 0.00 0.00 0.00 175.76 173.15 3dog s ARG 150 N -4.94 0.95 -0.13 0.00 1.70 -0.64 -4.93 118.95 110.97 3dog s ARG 150 Ca 0.64 -0.09 -0.29 0.00 -0.47 0.00 0.00 55.73 55.52 3dog s ARG 150 Cb -0.18 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.62 3dog s ARG 150 CO 0.57 -0.31 1.10 0.00 -1.08 0.00 0.00 175.30 175.57 3dog s ALA 151 N -1.83 3.52 0.30 7.88 0.00 -1.26 -1.37 121.76 129.01 3dog s ALA 151 Ca -0.09 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.35 3dog s ALA 151 Cb -0.01 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3dog s ALA 151 CO 0.03 -0.81 0.28 -0.59 0.00 0.00 0.00 175.76 174.67 3dog s PHE 152 N 2.51 3.01 0.48 0.00 -0.71 0.12 -4.99 117.98 118.40 3dog s PHE 152 Ca 0.50 -0.22 0.07 0.00 -1.04 0.00 0.00 56.93 56.24 3dog s PHE 152 Cb -0.20 -1.68 0.02 0.00 -1.21 0.00 0.00 43.02 39.95 3dog s PHE 152 CO 0.16 0.29 0.47 0.20 -1.34 0.00 0.00 175.22 175.00 3dog s GLY 153 N -3.96 2.13 -0.15 1.99 0.00 -1.26 -4.83 107.32 101.23 3dog s GLY 153 Ca 0.38 -1.74 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3dog s GLY 153 CO 0.26 -1.76 -0.15 0.14 0.00 0.00 0.00 173.10 171.60 3dog s VAL 154 N -2.59 1.63 1.00 1.40 1.01 -1.26 -2.53 120.40 119.06 3dog s VAL 154 Ca 0.47 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 3dog s VAL 154 Cb -0.04 -1.52 0.19 0.00 0.00 0.00 0.00 36.38 35.02 3dog s VAL 154 CO 0.28 0.47 1.09 -2.16 0.00 0.00 0.00 175.10 174.78 3dog s PRO 155 N 1.43 0.41 0.64 2.72 0.04 -1.26 -5.10 135.00 133.87 3dog s PRO 155 Ca 0.04 0.56 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 3dog s PRO 155 Cb -0.13 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 3dog s PRO 155 CO -0.10 -2.76 1.14 0.14 0.04 0.00 0.00 177.00 175.46 3dog s VAL 156 N -2.94 3.04 0.43 -0.36 -7.23 -1.05 -5.08 120.40 107.21 3dog s VAL 156 Ca 0.65 0.53 0.02 0.00 -1.81 0.00 0.00 61.98 61.38 3dog s VAL 156 Cb -0.19 -3.09 0.02 0.00 0.56 0.00 0.00 36.38 33.69 3dog s VAL 156 CO 0.58 -0.25 0.19 -2.11 -0.31 0.00 0.00 175.10 173.20 3dog n ARG 157 N -2.15 0.91 -2.07 4.82 1.85 -1.26 -5.01 116.66 113.74 3dog n ARG 157 Ca 0.11 -2.85 -0.42 0.00 -1.00 0.00 0.00 57.85 53.69 3dog n ARG 157 Cb 0.51 0.51 -0.03 0.00 -1.05 0.00 0.00 32.46 32.40 3dog n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3dog s THR 158 N -2.31 3.44 0.00 8.89 2.01 -1.26 -4.79 115.64 121.63 3dog s THR 158 Ca 0.14 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.93 3dog s THR 158 Cb -0.01 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3dog s THR 158 CO 0.09 -0.02 0.00 -1.22 -0.69 0.00 0.00 174.62 172.78 3dog n TYR 159 N 5.86 0.00 0.00 4.92 4.01 -1.26 -5.13 117.16 125.56 3dog n TYR 159 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3dog n TYR 159 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3dog n TYR 159 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3dog n HIS 161 N -1.35 0.00 -1.56 -0.72 8.25 -1.26 -5.05 115.22 113.53 3dog n HIS 161 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 3dog n HIS 161 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 3dog n HIS 161 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3dog n GLU 162 N 0.00 1.31 -3.65 -0.41 -0.00 -1.26 -4.84 120.64 111.79 3dog n GLU 162 Ca 0.00 0.20 -0.07 0.00 -0.00 0.00 0.00 57.16 57.29 3dog n GLU 162 Cb 0.00 -3.20 -0.07 0.00 -0.00 0.00 0.00 31.44 28.16 3dog n GLU 162 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3dog s VAL 163 N 10.36 -0.06 0.31 3.84 1.01 -1.26 -5.10 120.40 129.49 3dog s VAL 163 Ca 1.02 0.01 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3dog s VAL 163 Cb -0.34 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3dog s VAL 163 CO 0.32 0.01 0.00 0.52 0.00 0.00 0.00 175.10 175.95 3dog n VAL 164 N 4.38 -4.05 -1.68 2.92 0.31 -0.87 -4.85 118.33 114.50 3dog n VAL 164 Ca -0.20 1.70 -0.45 0.00 -0.01 0.00 0.00 64.34 65.38 3dog n VAL 164 Cb 0.58 -2.44 -0.03 0.00 -0.91 0.00 0.00 33.84 31.04 3dog n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3dog n THR 165 N -0.42 0.91 -0.30 2.52 -1.04 -1.26 -4.68 114.28 110.01 3dog n THR 165 Ca 0.00 -0.23 0.12 0.00 -2.04 0.00 0.00 64.05 61.90 3dog n THR 165 Cb 0.00 -1.51 0.28 0.00 -1.82 0.00 0.00 70.33 67.28 3dog n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3dog h LEU 166 N 4.33 0.29 -1.64 -4.42 5.85 -1.97 0.32 115.31 118.08 3dog h LEU 166 Ca -0.45 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3dog h LEU 166 Cb 1.27 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.44 3dog h LEU 166 CO 0.76 0.01 0.00 -0.50 -0.34 0.00 0.00 178.44 178.37 3dog h TRP 167 N 0.40 0.00 0.00 1.25 4.06 -1.87 -2.84 115.95 116.94 3dog h TRP 167 Ca 0.53 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.48 3dog h TRP 167 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 3dog h TRP 167 CO -0.15 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.39 3dog n TYR 168 N -2.45 0.00 -2.69 0.49 4.01 0.11 -4.53 117.16 112.10 3dog n TYR 168 Ca -0.01 -0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 56.99 3dog n TYR 168 Cb 0.08 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3dog n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3dog s ARG 169 N -0.63 4.51 0.69 -0.72 3.52 -0.99 -3.83 118.95 121.50 3dog s ARG 169 Ca 0.00 1.42 -0.17 0.00 -0.13 0.00 0.00 55.73 56.85 3dog s ARG 169 Cb 0.00 -3.49 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 3dog s ARG 169 CO 0.00 -0.15 1.24 0.00 -0.81 0.00 0.00 175.30 175.58 3dog s ALA 170 N 1.38 2.25 0.44 6.12 0.00 -1.26 -4.87 121.76 125.81 3dog s ALA 170 Ca 0.51 1.03 0.18 0.00 0.00 0.00 0.00 51.96 53.68 3dog s ALA 170 Cb -0.20 -3.50 1.12 0.00 0.00 0.00 0.00 23.12 20.53 3dog s ALA 170 CO 0.24 -1.72 2.01 -1.00 0.00 0.00 0.00 175.76 175.30 3dog h PRO 171 N 0.13 0.00 0.00 0.00 0.13 -1.96 -2.29 132.00 128.02 3dog h PRO 171 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3dog h PRO 171 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3dog h PRO 171 CO 0.51 0.18 0.00 1.05 -0.23 0.00 0.00 178.00 179.51 3dog h GLU 172 N 0.00 0.00 0.00 0.86 9.09 -1.92 0.85 114.58 123.46 3dog h GLU 172 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.35 3dog h GLU 172 Cb 0.34 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.43 3dog h GLU 172 CO 0.02 0.00 -0.29 0.82 0.05 0.00 0.00 179.01 179.61 3dog h ILE 173 N 0.00 1.60 -0.78 -1.06 2.04 -1.77 -1.58 117.51 115.96 3dog h ILE 173 Ca 0.00 -2.32 0.14 0.00 1.00 0.00 0.00 64.86 63.68 3dog h ILE 173 Cb 0.53 3.14 -0.05 0.00 -0.74 0.00 0.00 36.82 39.69 3dog h ILE 173 CO 0.00 0.55 0.51 -0.07 0.00 0.00 0.00 178.15 179.14 3dog h LEU 174 N -0.99 0.48 -1.14 1.44 3.38 -1.33 0.01 115.31 117.17 3dog h LEU 174 Ca -0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dog h LEU 174 Cb 1.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3dog h LEU 174 CO -0.04 0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.92 3dog n LEU 175 N -4.50 1.72 -0.26 1.67 4.77 0.28 -4.87 117.00 115.81 3dog n LEU 175 Ca 0.15 -0.69 -0.03 0.00 -0.03 0.00 0.00 56.01 55.41 3dog n LEU 175 Cb 0.48 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3dog n LEU 175 CO 0.32 0.34 -0.03 0.61 -1.33 0.00 0.00 177.39 177.30 3dog n GLY 176 N 1.16 0.38 3.68 -0.72 0.00 -0.01 -2.14 105.19 107.54 3dog n GLY 176 Ca 0.17 -0.85 -0.45 0.00 0.00 0.00 0.00 46.02 44.89 3dog n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dog h LYS 178 N 4.49 0.00 -6.46 0.00 2.10 -1.94 -3.41 116.57 111.35 3dog h LYS 178 Ca -0.45 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.53 3dog h LYS 178 Cb 1.27 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 32.31 3dog h LYS 178 CO 0.78 0.26 -0.88 0.71 -2.00 0.00 0.00 179.45 178.33 3dog s TYR 179 N -4.14 2.17 0.05 0.07 2.02 -1.26 -4.30 117.35 111.96 3dog s TYR 179 Ca -0.02 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3dog s TYR 179 Cb 0.13 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 3dog s TYR 179 CO 0.67 0.02 -0.03 1.52 -1.57 0.00 0.00 175.55 176.16 3dog s TYR 180 N -0.65 0.50 0.00 2.71 -0.85 -1.26 -5.00 117.35 112.80 3dog s TYR 180 Ca 0.10 -1.04 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 3dog s TYR 180 Cb -0.09 -0.38 0.00 0.00 0.38 0.00 0.00 41.96 41.87 3dog s TYR 180 CO 0.00 -0.38 0.00 0.45 -1.52 0.00 0.00 175.55 174.11 3dog n SER 181 N 0.17 0.03 -0.25 -0.18 2.88 -1.26 -4.94 113.62 110.08 3dog n SER 181 Ca -0.14 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 57.67 3dog n SER 181 Cb 0.61 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.72 3dog n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3dog h THR 182 N 0.00 0.54 -0.43 2.46 1.35 -1.98 -2.36 112.91 112.50 3dog h THR 182 Ca 0.00 -0.05 0.12 0.00 -0.55 0.00 0.00 66.41 65.93 3dog h THR 182 Cb 0.00 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 3dog h THR 182 CO 0.00 0.03 0.32 0.00 -0.25 0.00 0.00 175.52 175.61 3dog h ALA 183 N 1.55 2.37 -0.26 6.62 0.00 -1.93 -1.67 119.26 125.93 3dog h ALA 183 Ca 0.49 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 3dog h ALA 183 Cb 1.69 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3dog h ALA 183 CO -0.09 -0.54 -0.09 -0.39 0.00 0.00 0.00 179.25 178.14 3dog h VAL 184 N 0.00 1.21 0.00 0.00 -1.51 -1.82 -1.88 116.25 112.25 3dog h VAL 184 Ca 0.20 -0.88 -0.10 0.00 -1.23 0.00 0.00 66.70 64.69 3dog h VAL 184 Cb 0.83 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 3dog h VAL 184 CO -0.00 0.29 -0.50 0.44 -1.23 0.00 0.00 177.57 176.57 3dog h ASP 185 N 0.40 0.00 -0.30 4.19 3.32 -1.51 -2.90 116.42 119.62 3dog h ASP 185 Ca 0.08 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 3dog h ASP 185 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3dog h ASP 185 CO 0.02 0.50 -0.47 0.40 -1.72 0.00 0.00 179.24 177.97 3dog h ILE 186 N 0.00 1.28 -0.24 0.35 1.08 -1.39 -2.31 117.51 116.28 3dog h ILE 186 Ca -0.00 -1.65 0.04 0.00 -0.39 0.00 0.00 64.86 62.86 3dog h ILE 186 Cb 0.96 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 3dog h ILE 186 CO 0.06 0.54 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.79 3dog h TRP 187 N 0.69 -0.07 -0.23 1.37 2.91 -1.24 0.15 115.95 119.53 3dog h TRP 187 Ca 0.04 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.12 3dog h TRP 187 Cb 1.06 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 29.74 3dog h TRP 187 CO 0.06 -0.07 -0.05 0.77 -1.03 0.00 0.00 178.44 178.13 3dog h SER 188 N 0.03 -0.19 -0.63 2.65 0.02 -1.47 -1.26 113.55 112.70 3dog h SER 188 Ca 0.11 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3dog h SER 188 Cb 0.16 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3dog h SER 188 CO -0.22 -0.07 0.42 -0.07 -1.14 0.00 0.00 176.83 175.75 3dog h LEU 189 N 0.01 0.62 0.30 5.07 3.38 -0.81 -0.50 115.31 123.39 3dog h LEU 189 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dog h LEU 189 Cb 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dog h LEU 189 CO -0.23 0.42 -0.14 1.23 0.09 0.00 0.00 178.44 179.81 3dog h GLY 190 N 0.72 -0.42 0.13 0.83 0.00 0.12 0.95 103.07 105.40 3dog h GLY 190 Ca 0.26 0.16 0.16 0.00 0.00 0.00 0.00 47.33 47.90 3dog h GLY 190 CO -0.07 -0.15 0.39 0.00 0.00 0.00 0.00 176.54 176.70 3dog h ILE 192 N 0.53 1.27 -0.52 0.00 2.04 -0.81 -0.32 117.51 119.71 3dog h ILE 192 Ca 0.46 -1.38 0.04 0.00 1.00 0.00 0.00 64.86 64.98 3dog h ILE 192 Cb 0.71 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3dog h ILE 192 CO -0.40 0.48 0.28 0.15 0.00 0.00 0.00 178.15 178.65 3dog h PHE 193 N 0.87 0.52 -0.49 1.37 3.57 -0.13 0.23 116.94 122.87 3dog h PHE 193 Ca 0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3dog h PHE 193 Cb 0.79 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3dog h PHE 193 CO 0.05 0.27 0.10 0.00 -2.23 0.00 0.00 178.31 176.50 3dog h ALA 194 N 1.26 0.64 -0.45 2.41 0.00 -1.09 -2.96 119.26 119.07 3dog h ALA 194 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dog h ALA 194 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dog h ALA 194 CO -0.14 0.35 0.10 1.49 0.00 0.00 0.00 179.25 181.06 3dog h GLU 195 N 0.67 0.68 -0.29 0.00 4.81 -0.25 -1.33 114.58 118.87 3dog h GLU 195 Ca 0.15 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3dog h GLU 195 Cb 0.36 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3dog h GLU 195 CO 0.01 0.63 -0.09 0.52 -0.73 0.00 0.00 179.01 179.34 3dog h MET 196 N 0.66 0.47 -0.11 1.92 2.86 -0.47 0.72 114.93 120.98 3dog h MET 196 Ca 0.15 -0.12 -0.23 0.00 -2.06 0.00 0.00 59.70 57.44 3dog h MET 196 Cb 0.26 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.88 3dog h MET 196 CO -0.00 0.57 -0.84 0.28 1.06 0.00 0.00 176.91 177.97 3dog h VAL 197 N 0.44 1.29 0.00 -2.22 2.07 -1.23 -3.37 116.25 113.23 3dog h VAL 197 Ca 0.09 -2.06 -0.21 0.00 0.82 0.00 0.00 66.70 65.34 3dog h VAL 197 Cb 0.43 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 3dog h VAL 197 CO 0.02 0.65 -2.06 0.35 0.02 0.00 0.00 177.57 176.54 3dog n THR 198 N -3.91 0.79 -1.05 2.57 -2.24 -0.57 -4.89 114.28 104.98 3dog n THR 198 Ca -0.08 -0.63 -0.02 0.00 -2.27 0.00 0.00 64.05 61.06 3dog n THR 198 Cb 0.78 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3dog n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dog n ARG 199 N -2.47 -0.55 -4.15 -0.78 1.74 0.25 -5.02 116.66 105.69 3dog n ARG 199 Ca -0.20 0.30 -0.16 0.00 -0.77 0.00 0.00 57.85 57.02 3dog n ARG 199 Cb 0.87 -3.84 -0.12 0.00 -1.02 0.00 0.00 32.46 28.35 3dog n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3dog s ARG 200 N -1.12 0.76 0.38 5.56 1.70 -1.25 -4.94 118.95 120.03 3dog s ARG 200 Ca 0.00 -0.94 -0.27 0.00 -0.47 0.00 0.00 55.73 54.04 3dog s ARG 200 Cb 0.00 -0.66 -0.10 0.00 -0.57 0.00 0.00 34.95 33.62 3dog s ARG 200 CO 0.00 0.14 1.38 0.00 -1.08 0.00 0.00 175.30 175.73 3dog s ALA 201 N -1.48 3.44 -0.03 7.88 0.00 -1.26 -4.26 121.76 126.05 3dog s ALA 201 Ca -0.03 1.38 -0.25 0.00 0.00 0.00 0.00 51.96 53.06 3dog s ALA 201 Cb -0.09 -3.54 -0.20 0.00 0.00 0.00 0.00 23.12 19.29 3dog s ALA 201 CO 0.02 -0.88 1.22 1.25 0.00 0.00 0.00 175.76 177.36 3dog h LEU 202 N 2.97 0.06 -6.72 0.00 5.85 -1.90 -3.39 115.31 112.18 3dog h LEU 202 Ca -0.50 -0.55 -0.61 0.00 0.84 0.00 0.00 57.88 57.06 3dog h LEU 202 Cb 1.24 -0.02 -0.41 0.00 0.37 0.00 0.00 40.66 41.84 3dog h LEU 202 CO 0.64 0.60 -0.68 0.49 -0.34 0.00 0.00 178.44 179.15 3dog n PHE 203 N -4.77 2.36 -2.23 1.25 3.72 -1.26 -5.02 117.46 111.51 3dog n PHE 203 Ca -0.08 -4.06 -0.43 0.00 -0.05 0.00 0.00 57.45 52.83 3dog n PHE 203 Cb 0.30 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3dog n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3dog n PRO 204 N 1.87 3.23 -2.33 -1.08 -0.04 -1.26 -4.53 135.00 130.86 3dog n PRO 204 Ca 0.24 -3.18 -0.31 0.00 -0.04 0.00 0.00 63.50 60.20 3dog n PRO 204 Cb 0.40 -3.17 -0.02 0.00 -0.04 0.00 0.00 33.50 30.67 3dog n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3dog s GLY 205 N 2.52 1.87 -0.11 0.55 0.00 -1.26 -5.00 107.32 105.89 3dog s GLY 205 Ca 0.45 -0.03 0.14 0.00 0.00 0.00 0.00 44.72 45.29 3dog s GLY 205 CO -0.02 0.22 1.33 2.09 0.00 0.00 0.00 173.10 176.72 3dog n ASP 206 N -1.95 3.37 -3.59 1.64 5.68 -1.26 -4.81 116.55 115.64 3dog n ASP 206 Ca 0.05 -2.68 -0.06 0.00 -0.50 0.00 0.00 54.79 51.60 3dog n ASP 206 Cb 0.54 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 40.09 3dog n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3dog s SER 207 N -1.70 -0.28 0.15 -1.12 1.04 -1.26 -5.02 113.70 105.50 3dog s SER 207 Ca 0.34 -0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.47 3dog s SER 207 Cb 0.25 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.81 3dog s SER 207 CO 0.10 -0.66 1.72 -0.33 0.98 0.00 0.00 173.24 175.05 3dog h GLU 208 N 2.00 0.13 -0.43 4.02 5.08 -1.99 0.95 114.58 124.35 3dog h GLU 208 Ca -0.22 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 3dog h GLU 208 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3dog h GLU 208 CO 0.29 0.08 -0.24 0.97 -1.00 0.00 0.00 179.01 179.11 3dog h ILE 209 N 0.13 1.27 -0.44 3.13 6.09 -1.97 -1.41 117.51 124.32 3dog h ILE 209 Ca 0.15 -1.38 -0.09 0.00 -1.37 0.00 0.00 64.86 62.17 3dog h ILE 209 Cb 0.19 1.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 3dog h ILE 209 CO -0.23 0.47 -0.09 -0.78 -3.07 0.00 0.00 178.15 174.45 3dog h ASP 210 N 0.75 0.76 -0.20 2.19 3.58 -1.89 0.23 116.42 121.85 3dog h ASP 210 Ca 0.10 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 3dog h ASP 210 Cb 0.79 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 3dog h ASP 210 CO 0.07 0.88 0.11 -0.61 -2.88 0.00 0.00 179.24 176.81 3dog h GLN 211 N 0.70 0.28 -0.30 0.28 5.75 -0.50 -0.10 115.11 121.22 3dog h GLN 211 Ca 0.12 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 3dog h GLN 211 Cb 0.57 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 3dog h GLN 211 CO 0.03 0.26 0.12 -0.07 -2.65 0.00 0.00 178.83 176.52 3dog h LEU 212 N 0.23 0.15 -0.92 -2.39 3.38 -0.75 -1.61 115.31 113.41 3dog h LEU 212 Ca 0.07 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3dog h LEU 212 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3dog h LEU 212 CO -0.01 0.12 0.04 -0.26 0.09 0.00 0.00 178.44 178.42 3dog h PHE 213 N 0.26 0.89 -0.62 1.13 0.04 -0.85 0.99 116.94 118.77 3dog h PHE 213 Ca 0.13 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3dog h PHE 213 Cb 0.08 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 3dog h PHE 213 CO -0.12 0.79 0.33 0.00 -0.60 0.00 0.00 178.31 178.71 3dog h ARG 214 N 0.79 0.87 -0.36 1.51 3.08 -0.81 -0.18 114.38 119.29 3dog h ARG 214 Ca 0.16 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3dog h ARG 214 Cb 0.41 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3dog h ARG 214 CO 0.01 0.67 0.13 0.82 -1.07 0.00 0.00 179.97 180.53 3dog h ILE 215 N 0.85 1.20 -0.53 2.04 2.04 -0.83 -3.04 117.51 119.23 3dog h ILE 215 Ca 0.22 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3dog h ILE 215 Cb 0.06 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3dog h ILE 215 CO -0.03 0.22 0.20 -0.26 0.00 0.00 0.00 178.15 178.28 3dog h PHE 216 N 0.43 0.82 0.00 1.37 0.04 -0.61 0.56 116.94 119.55 3dog h PHE 216 Ca 0.12 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3dog h PHE 216 Cb 0.21 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3dog h PHE 216 CO 0.00 0.68 0.00 0.00 -0.60 0.00 0.00 178.31 178.40 3dog h ARG 217 N 0.73 0.00 0.00 1.51 3.08 -1.01 0.33 114.38 119.02 3dog h ARG 217 Ca 0.18 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.81 3dog h ARG 217 Cb 0.22 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 3dog h ARG 217 CO -0.01 0.00 -2.27 2.41 -1.07 0.00 0.00 179.97 179.03 3dog n THR 218 N -2.88 1.53 -0.15 2.04 -1.04 -0.94 -4.60 114.28 108.23 3dog n THR 218 Ca -0.01 -0.31 0.11 0.00 -2.04 0.00 0.00 64.05 61.79 3dog n THR 218 Cb 0.14 -1.91 0.27 0.00 -1.82 0.00 0.00 70.33 67.01 3dog n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dog n LEU 219 N -4.27 3.66 0.00 -4.42 4.77 0.14 -2.81 117.00 114.08 3dog n LEU 219 Ca -0.50 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 3dog n LEU 219 Cb 0.85 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3dog n LEU 219 CO 0.07 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3dog n GLY 220 N 1.44 -2.17 3.69 -0.72 0.00 0.12 -4.64 105.19 102.91 3dog n GLY 220 Ca 0.21 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 3dog n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dog s THR 221 N -3.44 4.12 0.43 2.61 2.01 -0.30 -4.50 115.64 116.57 3dog s THR 221 Ca 0.00 1.46 -0.20 0.00 0.31 0.00 0.00 61.69 63.25 3dog s THR 221 Cb 0.00 -3.94 -0.11 0.00 0.01 0.00 0.00 72.50 68.47 3dog s THR 221 CO 0.00 -0.01 0.94 -2.16 -0.69 0.00 0.00 174.62 172.70 3dog s PRO 222 N 2.35 4.19 0.22 4.92 0.04 -1.26 -4.76 135.00 140.69 3dog s PRO 222 Ca 0.58 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.70 3dog s PRO 222 Cb -0.26 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.08 3dog s PRO 222 CO 0.23 -0.04 0.04 -0.40 0.04 0.00 0.00 177.00 176.87 3dog n ASP 223 N -0.71 1.71 0.06 6.66 5.68 -1.26 -4.96 116.55 123.73 3dog n ASP 223 Ca 0.07 -2.08 0.12 0.00 -0.50 0.00 0.00 54.79 52.40 3dog n ASP 223 Cb 0.54 0.38 0.58 0.00 -1.14 0.00 0.00 41.12 41.48 3dog n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3dog h GLU 224 N 0.00 0.19 0.85 0.11 4.39 -1.97 0.13 114.58 118.27 3dog h GLU 224 Ca -0.18 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 3dog h GLU 224 Cb 0.61 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3dog h GLU 224 CO 0.28 0.12 -0.41 0.28 -1.16 0.00 0.00 179.01 178.13 3dog h VAL 225 N 0.19 0.09 0.00 3.13 2.07 -1.99 -2.59 116.25 117.15 3dog h VAL 225 Ca 0.16 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3dog h VAL 225 Cb 0.40 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3dog h VAL 225 CO -0.03 0.00 0.00 1.62 0.02 0.00 0.00 177.57 179.19 3dog h VAL 226 N -1.23 0.00 -1.31 2.57 3.04 -1.86 -3.40 116.25 114.06 3dog h VAL 226 Ca -0.12 -0.82 -0.23 0.00 -1.01 0.00 0.00 66.70 64.52 3dog h VAL 226 Cb 0.89 1.82 -0.21 0.00 -2.01 0.00 0.00 31.29 31.77 3dog h VAL 226 CO 0.19 0.00 -0.58 0.86 -1.01 0.00 0.00 177.57 177.03 3dog s TRP 227 N -3.24 -1.07 0.16 3.17 -0.00 0.41 -4.46 118.94 113.90 3dog s TRP 227 Ca 0.07 -0.77 -0.34 0.00 -0.00 0.00 0.00 56.10 55.06 3dog s TRP 227 Cb 0.07 0.05 -0.14 0.00 -0.00 0.00 0.00 33.47 33.45 3dog s TRP 227 CO 0.63 -1.16 1.55 -2.30 -0.00 0.00 0.00 176.95 175.67 3dog n PRO 228 N 3.24 2.05 0.00 5.86 -0.02 -0.98 -2.01 135.00 143.15 3dog n PRO 228 Ca 0.18 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3dog n PRO 228 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3dog n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dog n GLY 229 N 3.29 1.11 0.18 -1.23 0.00 -1.26 -4.98 105.19 102.30 3dog n GLY 229 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 3dog n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dog h VAL 230 N 0.00 0.63 0.00 1.61 -1.51 -1.72 -1.57 116.25 113.69 3dog h VAL 230 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3dog h VAL 230 Cb 0.00 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 3dog h VAL 230 CO 0.00 0.01 0.00 0.71 -1.23 0.00 0.00 177.57 177.06 3dog h THR 231 N 0.07 0.00 -0.01 7.19 1.35 -1.93 -1.01 112.91 118.57 3dog h THR 231 Ca 0.22 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3dog h THR 231 Cb 0.32 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3dog h THR 231 CO -0.39 0.00 -0.52 -1.20 -0.25 0.00 0.00 175.52 173.15 3dog n SER 232 N -2.64 1.50 -4.76 5.36 7.64 -0.62 -4.90 113.62 115.20 3dog n SER 232 Ca -0.00 -1.19 -0.38 0.00 1.01 0.00 0.00 58.87 58.31 3dog n SER 232 Cb 0.18 0.48 0.01 0.00 -1.01 0.00 0.00 64.21 63.87 3dog n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3dog s MET 233 N -2.62 3.62 0.24 1.43 -1.94 -0.39 -4.92 119.30 114.72 3dog s MET 233 Ca 0.17 2.08 -0.05 0.00 -1.71 0.00 0.00 55.69 56.18 3dog s MET 233 Cb 0.18 -2.48 0.40 0.00 2.01 0.00 0.00 34.83 34.93 3dog s MET 233 CO 0.62 -0.75 1.76 -1.35 -0.01 0.00 0.00 175.02 175.30 3dog h PRO 234 N 2.08 0.54 -0.54 2.03 0.11 -1.80 -1.69 132.00 132.73 3dog h PRO 234 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dog h PRO 234 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dog h PRO 234 CO 0.60 0.36 0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 3dog n ASP 235 N -4.91 4.58 -4.75 -2.05 8.00 -0.91 -4.93 116.55 111.59 3dog n ASP 235 Ca 0.13 -2.58 -0.40 0.00 0.71 0.00 0.00 54.79 52.65 3dog n ASP 235 Cb 0.34 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 3dog n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3dog s TYR 236 N -2.08 3.70 -0.12 1.24 6.14 -0.64 -4.91 117.35 120.69 3dog s TYR 236 Ca 0.47 1.75 0.01 0.00 0.64 0.00 0.00 57.07 59.94 3dog s TYR 236 Cb 0.32 -3.19 0.02 0.00 0.42 0.00 0.00 41.96 39.53 3dog s TYR 236 CO 0.20 -0.26 -0.13 0.15 0.64 0.00 0.00 175.55 176.14 3dog s LYS 237 N -1.16 2.10 0.58 4.97 1.02 -1.26 -4.92 119.74 121.07 3dog s LYS 237 Ca 0.44 -0.50 0.28 0.00 0.02 0.00 0.00 55.97 56.22 3dog s LYS 237 Cb -0.30 -1.89 1.51 0.00 -0.52 0.00 0.00 37.83 36.64 3dog s LYS 237 CO 0.37 -0.16 1.96 -1.00 -0.92 0.00 0.00 175.35 175.61 3dog h PRO 238 N 7.76 0.00 0.00 -1.68 0.13 -1.97 -0.30 132.00 135.95 3dog h PRO 238 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3dog h PRO 238 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3dog h PRO 238 CO 0.49 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.13 3dog n SER 239 N -3.85 0.49 -4.52 1.44 3.41 -1.26 -4.84 113.62 104.49 3dog n SER 239 Ca 0.07 0.58 -0.56 0.00 -0.26 0.00 0.00 58.87 58.70 3dog n SER 239 Cb 0.58 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 3dog n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3dog n PHE 240 N -2.00 0.86 -1.98 7.33 3.72 -0.12 -4.86 117.46 120.40 3dog n PHE 240 Ca 0.04 0.92 -0.39 0.00 -0.05 0.00 0.00 57.45 57.97 3dog n PHE 240 Cb 0.31 -2.16 0.01 0.00 -0.94 0.00 0.00 39.48 36.70 3dog n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3dog s PRO 241 N 0.06 3.72 -0.47 -1.08 0.02 -1.26 -4.97 135.00 131.02 3dog s PRO 241 Ca 0.87 2.17 -0.17 0.00 0.02 0.00 0.00 61.00 63.88 3dog s PRO 241 Cb -1.14 -2.59 0.05 0.00 0.02 0.00 0.00 34.50 30.84 3dog s PRO 241 CO 0.54 -0.70 0.48 0.15 -0.33 0.00 0.00 177.00 177.14 3dog s LYS 242 N -2.48 3.06 -0.12 5.54 1.02 -1.26 -4.81 119.74 120.70 3dog s LYS 242 Ca 0.61 -1.02 -0.06 0.00 0.02 0.00 0.00 55.97 55.52 3dog s LYS 242 Cb -0.38 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 32.82 3dog s LYS 242 CO 0.48 -1.04 0.11 -1.58 -0.92 0.00 0.00 175.35 172.40 3dog s TRP 243 N 2.12 3.49 0.44 3.18 0.51 -1.26 -4.93 118.94 122.49 3dog s TRP 243 Ca 0.10 0.44 -0.24 0.00 -2.12 0.00 0.00 56.10 54.27 3dog s TRP 243 Cb -0.20 -1.92 -0.08 0.00 -0.81 0.00 0.00 33.47 30.46 3dog s TRP 243 CO 0.10 0.64 1.24 0.00 -0.51 0.00 0.00 176.95 178.43 3dog s ALA 244 N -0.89 3.08 0.13 0.98 0.00 -1.26 -1.15 121.76 122.65 3dog s ALA 244 Ca 0.14 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 3dog s ALA 244 Cb -0.12 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 3dog s ALA 244 CO 0.03 -0.81 1.25 0.50 0.00 0.00 0.00 175.76 176.74 3dog s ARG 245 N -2.50 4.42 0.17 0.00 3.52 -1.26 -4.08 118.95 119.22 3dog s ARG 245 Ca 0.61 1.91 -0.30 0.00 -0.13 0.00 0.00 55.73 57.82 3dog s ARG 245 Cb -0.34 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 29.71 3dog s ARG 245 CO 0.42 -0.23 1.00 -0.65 -0.81 0.00 0.00 175.30 175.03 3dog s GLN 246 N 0.47 4.71 -0.46 5.12 -0.21 -1.12 -4.87 119.66 123.29 3dog s GLN 246 Ca 0.58 1.56 -0.45 0.00 0.02 0.00 0.00 55.36 57.07 3dog s GLN 246 Cb -0.33 -3.31 -0.19 0.00 1.00 0.00 0.00 33.01 30.18 3dog s GLN 246 CO 0.33 0.25 1.80 -3.47 -2.12 0.00 0.00 175.29 172.09 3dog n ASP 247 N 2.24 1.30 0.21 5.90 4.64 -1.26 -4.80 116.55 124.77 3dog n ASP 247 Ca 0.01 0.99 0.15 0.00 -1.38 0.00 0.00 54.79 54.56 3dog n ASP 247 Cb 0.47 -0.94 0.72 0.00 -1.04 0.00 0.00 41.12 40.33 3dog n ASP 247 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 3dog h PHE 248 N 6.79 0.00 0.00 -0.67 3.57 -1.94 0.15 116.94 124.84 3dog h PHE 248 Ca -0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3dog h PHE 248 Cb 1.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.11 3dog h PHE 248 CO 0.77 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 177.51 3dog h SER 249 N 0.00 0.00 0.56 0.41 4.64 -1.91 -3.03 113.55 114.22 3dog h SER 249 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3dog h SER 249 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3dog h SER 249 CO 0.00 0.00 -1.45 0.29 -0.87 0.00 0.00 176.83 174.80 3dog n LYS 250 N -2.42 0.63 0.03 4.77 4.76 0.53 -3.04 118.16 123.43 3dog n LYS 250 Ca 0.02 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.34 3dog n LYS 250 Cb 0.28 -1.70 -0.09 0.00 -1.84 0.00 0.00 35.03 31.68 3dog n LYS 250 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dog h VAL 251 N 0.00 1.16 -2.53 -0.18 2.07 -1.57 -3.37 116.25 111.83 3dog h VAL 251 Ca -0.02 -0.83 -0.60 0.00 0.82 0.00 0.00 66.70 66.07 3dog h VAL 251 Cb 1.07 1.70 -0.40 0.00 -1.52 0.00 0.00 31.29 32.14 3dog h VAL 251 CO 0.00 0.20 -0.79 0.52 0.02 0.00 0.00 177.57 177.53 3dog n VAL 252 N -4.96 0.46 -0.33 2.57 0.31 -1.25 -5.03 118.33 110.11 3dog n VAL 252 Ca -0.08 -4.32 0.15 0.00 -0.01 0.00 0.00 64.34 60.07 3dog n VAL 252 Cb 0.21 -1.96 0.35 0.00 -0.91 0.00 0.00 33.84 31.53 3dog n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3dog h PRO 253 N 5.05 0.55 0.00 5.55 0.11 -1.71 -1.30 132.00 140.24 3dog h PRO 253 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3dog h PRO 253 Cb 0.81 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3dog h PRO 253 CO 0.58 0.36 0.00 -0.35 -0.21 0.00 0.00 178.00 178.39 3dog n PRO 254 N -4.91 0.22 -2.55 1.05 -0.04 -1.26 -4.82 135.00 122.69 3dog n PRO 254 Ca 0.25 0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 63.41 3dog n PRO 254 Cb 0.68 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 3dog n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3dog s LEU 255 N -2.68 4.51 1.00 1.53 2.96 -0.49 -5.05 118.68 120.46 3dog s LEU 255 Ca 0.17 2.07 -0.16 0.00 -0.22 0.00 0.00 54.13 55.99 3dog s LEU 255 Cb 0.14 -3.61 0.20 0.00 0.50 0.00 0.00 46.19 43.42 3dog s LEU 255 CO 0.32 -0.16 1.24 1.51 -1.32 0.00 0.00 176.35 177.95 3dog s ASP 256 N -0.31 2.76 0.24 3.68 -4.77 -1.26 -4.73 116.67 112.28 3dog s ASP 256 Ca 0.48 0.46 -0.06 0.00 -3.30 0.00 0.00 52.55 50.13 3dog s ASP 256 Cb -0.29 -0.64 0.31 0.00 -1.09 0.00 0.00 42.92 41.22 3dog s ASP 256 CO 0.35 -2.97 1.86 -0.08 0.70 0.00 0.00 175.17 175.03 3dog h GLU 257 N -1.80 0.96 -0.19 2.11 4.81 -1.99 -0.29 114.58 118.19 3dog h GLU 257 Ca -0.45 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 3dog h GLU 257 Cb 1.27 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3dog h GLU 257 CO 0.42 0.63 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.74 3dog h ASP 258 N 0.99 0.46 -0.05 1.04 3.32 -1.97 -1.88 116.42 118.33 3dog h ASP 258 Ca 0.37 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.99 3dog h ASP 258 Cb 0.14 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3dog h ASP 258 CO -0.16 0.82 -0.10 1.23 -1.72 0.00 0.00 179.24 179.31 3dog h GLY 259 N 0.11 -0.08 0.66 2.75 0.00 -1.85 -0.77 103.07 103.90 3dog h GLY 259 Ca 0.04 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.55 3dog h GLY 259 CO 0.04 -0.11 0.31 3.21 0.00 0.00 0.00 176.54 179.99 3dog h ARG 260 N -0.15 0.56 -0.02 4.80 3.08 -1.09 0.94 114.38 122.51 3dog h ARG 260 Ca 0.05 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3dog h ARG 260 Cb 0.23 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3dog h ARG 260 CO -0.14 0.37 -0.12 1.03 -1.07 0.00 0.00 179.97 180.05 3dog h SER 261 N 0.58 -0.35 0.28 7.04 0.87 -1.07 -0.48 113.55 120.41 3dog h SER 261 Ca 0.27 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 3dog h SER 261 Cb 0.19 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3dog h SER 261 CO -0.19 -0.17 -0.15 0.25 -0.53 0.00 0.00 176.83 176.04 3dog h LEU 262 N -0.19 -0.37 -0.81 2.23 5.85 -0.48 -2.64 115.31 118.89 3dog h LEU 262 Ca 0.05 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.88 3dog h LEU 262 Cb 0.26 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3dog h LEU 262 CO -0.13 -0.25 0.46 0.25 -0.34 0.00 0.00 178.44 178.43 3dog h LEU 263 N -0.40 0.66 -1.28 2.25 5.85 -0.76 -1.06 115.31 120.57 3dog h LEU 263 Ca -0.03 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3dog h LEU 263 Cb 0.32 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3dog h LEU 263 CO 0.04 0.38 0.50 0.77 -0.34 0.00 0.00 178.44 179.79 3dog h SER 264 N 0.78 0.82 0.97 1.25 4.64 -0.76 0.41 113.55 121.66 3dog h SER 264 Ca 0.39 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.52 3dog h SER 264 Cb 0.35 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 3dog h SER 264 CO -0.24 0.57 -0.85 1.56 -0.87 0.00 0.00 176.83 177.00 3dog h GLN 265 N 0.95 0.00 0.00 4.77 4.20 -0.98 -2.47 115.11 121.59 3dog h GLN 265 Ca 0.30 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.94 3dog h GLN 265 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3dog h GLN 265 CO -0.08 0.85 -0.33 0.52 -0.67 0.00 0.00 178.83 179.12 3dog h MET 266 N 0.00 0.00 -0.45 1.46 2.86 -0.19 -1.91 114.93 116.70 3dog h MET 266 Ca -0.01 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 3dog h MET 266 Cb 1.56 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.12 3dog h MET 266 CO 0.11 0.33 0.08 1.28 1.06 0.00 0.00 176.91 179.76 3dog n LEU 267 N -3.42 4.62 -4.77 1.22 4.77 0.04 -4.07 117.00 115.37 3dog n LEU 267 Ca 0.00 -3.45 -0.41 0.00 -0.03 0.00 0.00 56.01 52.12 3dog n LEU 267 Cb 0.51 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3dog n LEU 267 CO 0.36 1.00 1.02 -2.28 -1.33 0.00 0.00 177.39 176.15 3dog s HIS 268 N -3.09 2.94 0.16 -1.77 2.46 -0.94 -4.94 115.29 110.11 3dog s HIS 268 Ca 0.47 1.34 -0.13 0.00 0.47 0.00 0.00 55.06 57.21 3dog s HIS 268 Cb 0.40 -3.77 0.05 0.00 -0.13 0.00 0.00 32.58 29.13 3dog s HIS 268 CO 0.06 -2.15 1.69 1.88 -2.47 0.00 0.00 174.74 173.74 3dog h TYR 269 N 3.36 0.87 -3.19 3.88 0.05 -1.90 -3.42 116.97 116.62 3dog h TYR 269 Ca -0.49 -0.09 -0.58 0.00 0.05 0.00 0.00 58.73 57.62 3dog h TYR 269 Cb 1.23 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 38.66 3dog h TYR 269 CO 0.55 0.74 0.83 0.34 -1.05 0.00 0.00 178.16 179.58 3dog s ASP 270 N -6.13 7.00 0.59 3.88 -1.08 -1.26 -4.82 116.67 114.85 3dog s ASP 270 Ca -0.13 1.23 0.29 0.00 -0.52 0.00 0.00 52.55 53.42 3dog s ASP 270 Cb 0.12 -2.54 1.75 0.00 -1.46 0.00 0.00 42.92 40.79 3dog s ASP 270 CO 0.80 -0.79 2.21 -0.65 0.52 0.00 0.00 175.17 177.25 3dog h PRO 271 N 7.85 0.00 -0.03 4.34 0.11 -1.96 -1.53 132.00 140.77 3dog h PRO 271 Ca -0.20 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.78 3dog h PRO 271 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3dog h PRO 271 CO 1.01 0.00 -0.56 -0.91 -0.21 0.00 0.00 178.00 177.32 3dog h ASN 272 N 0.00 0.10 0.19 -2.05 2.35 -1.96 -3.27 115.58 110.94 3dog h ASN 272 Ca 0.02 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3dog h ASN 272 Cb 0.14 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3dog h ASN 272 CO -0.00 0.65 -1.28 0.29 -1.65 0.00 0.00 177.43 175.43 3dog n LYS 273 N -3.88 0.30 -1.98 0.81 4.76 -0.67 -4.94 118.16 112.56 3dog n LYS 273 Ca -0.02 -0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 54.96 3dog n LYS 273 Cb 0.58 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 32.20 3dog n LYS 273 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3dog s ARG 274 N -3.23 4.25 0.59 1.97 3.52 -0.68 -4.93 118.95 120.44 3dog s ARG 274 Ca 0.02 2.35 -0.20 0.00 -0.13 0.00 0.00 55.73 57.77 3dog s ARG 274 Cb 0.15 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 3dog s ARG 274 CO 0.85 -0.42 1.19 1.51 -0.81 0.00 0.00 175.30 177.61 3dog n ILE 275 N 1.94 4.03 -3.69 4.11 3.06 -0.72 -5.01 119.36 123.07 3dog n ILE 275 Ca 0.05 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.57 3dog n ILE 275 Cb 0.40 -1.41 -0.02 0.00 0.54 0.00 0.00 39.64 39.15 3dog n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3dog s SER 276 N -1.15 6.33 0.19 9.51 1.04 -1.26 -4.88 113.70 123.49 3dog s SER 276 Ca 0.76 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.37 3dog s SER 276 Cb -0.41 -1.96 0.16 0.00 0.10 0.00 0.00 66.02 63.91 3dog s SER 276 CO 0.46 -0.14 1.82 0.00 0.98 0.00 0.00 173.24 176.37 3dog h ALA 277 N 1.28 0.80 -0.05 5.32 0.00 -1.95 0.13 119.26 124.80 3dog h ALA 277 Ca -0.50 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.43 3dog h ALA 277 Cb 1.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3dog h ALA 277 CO 0.63 0.09 -0.15 -0.22 0.00 0.00 0.00 179.25 179.61 3dog h LYS 278 N 0.71 -0.21 -0.21 0.00 3.64 -1.92 -2.83 116.57 115.75 3dog h LYS 278 Ca 0.25 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3dog h LYS 278 Cb 0.06 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3dog h LYS 278 CO -0.12 -0.14 -0.34 0.00 -2.27 0.00 0.00 179.45 176.57 3dog h ALA 279 N 0.76 1.01 -0.06 5.00 0.00 -1.82 -3.10 119.26 121.06 3dog h ALA 279 Ca 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3dog h ALA 279 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dog h ALA 279 CO -0.18 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3dog h ALA 280 N 1.25 1.86 0.00 0.00 0.00 -0.53 -2.66 119.26 119.18 3dog h ALA 280 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dog h ALA 280 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dog h ALA 280 CO 0.06 0.11 0.00 -0.07 0.00 0.00 0.00 179.25 179.35 3dog h LEU 281 N 0.08 0.00 -1.88 0.00 3.38 -1.42 -1.26 115.31 114.20 3dog h LEU 281 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dog h LEU 281 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dog h LEU 281 CO 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.51 3dog n ALA 282 N -1.97 2.51 -1.78 1.53 0.00 -1.00 -4.89 120.51 114.92 3dog n ALA 282 Ca -0.01 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 3dog n ALA 282 Cb 0.14 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 3dog n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3dog s HIS 283 N -2.02 2.75 0.64 0.00 5.04 -0.48 -4.88 115.29 116.34 3dog s HIS 283 Ca 0.27 1.23 0.32 0.00 -1.54 0.00 0.00 55.06 55.35 3dog s HIS 283 Cb 0.20 -3.91 1.77 0.00 0.04 0.00 0.00 32.58 30.68 3dog s HIS 283 CO 0.31 -2.64 2.04 -1.35 -2.34 0.00 0.00 174.74 170.76 3dog h PRO 284 N 3.23 0.00 -1.06 2.88 0.11 -1.93 -0.85 132.00 134.38 3dog h PRO 284 Ca -0.50 0.00 0.28 0.00 0.11 0.00 0.00 66.00 65.89 3dog h PRO 284 Cb 1.23 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 3dog h PRO 284 CO 0.65 0.00 0.67 0.35 -0.21 0.00 0.00 178.00 179.46 3dog h PHE 285 N 0.00 0.70 -0.50 0.65 3.57 -1.90 -0.06 116.94 119.39 3dog h PHE 285 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3dog h PHE 285 Cb 0.56 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3dog h PHE 285 CO 0.00 0.03 0.00 1.19 -2.23 0.00 0.00 178.31 177.30 3dog n PHE 286 N -4.68 0.78 -0.29 0.41 3.72 -0.32 -4.50 117.46 112.57 3dog n PHE 286 Ca 0.27 -0.36 0.08 0.00 -0.05 0.00 0.00 57.45 57.38 3dog n PHE 286 Cb 0.91 -0.04 0.23 0.00 -0.94 0.00 0.00 39.48 39.63 3dog n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3dog h GLN 287 N 2.99 0.57 -0.49 -1.08 3.07 -1.14 -2.63 115.11 116.39 3dog h GLN 287 Ca 0.00 -0.03 -0.27 0.00 0.09 0.00 0.00 58.65 58.44 3dog h GLN 287 Cb 0.79 -0.13 -0.16 0.00 0.08 0.00 0.00 27.48 28.06 3dog h GLN 287 CO 0.04 0.38 0.04 -0.40 0.09 0.00 0.00 178.83 178.97 3dog n ASP 288 N -4.90 2.91 -4.77 0.06 5.75 -1.26 -5.05 116.55 109.29 3dog n ASP 288 Ca 0.17 -3.77 -0.38 0.00 -0.01 0.00 0.00 54.79 50.80 3dog n ASP 288 Cb 0.45 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 3dog n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dog s VAL 289 N -3.37 3.00 0.38 2.12 0.11 -1.00 -5.06 120.40 116.59 3dog s VAL 289 Ca 0.48 0.85 0.06 0.00 -2.93 0.00 0.00 61.98 60.43 3dog s VAL 289 Cb 0.42 -3.48 -0.02 0.00 -1.53 0.00 0.00 36.38 31.77 3dog s VAL 289 CO 0.01 0.08 0.21 0.42 -3.33 0.00 0.00 175.10 172.50 3dog s THR 290 N -1.38 0.25 -0.63 5.04 -4.23 -1.26 -5.08 115.64 108.35 3dog s THR 290 Ca 0.58 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 3dog s THR 290 Cb -0.33 -2.39 0.19 0.00 1.34 0.00 0.00 72.50 71.31 3dog s THR 290 CO 0.41 0.00 0.53 0.29 -0.54 0.00 0.00 174.62 175.31 3dog n LYS 291 N -0.79 1.66 -2.41 3.99 4.01 -1.26 -4.32 118.16 119.04 3dog n LYS 291 Ca 0.01 -4.25 -0.30 0.00 -0.51 0.00 0.00 58.31 53.26 3dog n LYS 291 Cb 0.63 -2.12 -0.01 0.00 -0.51 0.00 0.00 35.03 33.02 3dog n LYS 291 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3dog s PRO 292 N -1.44 3.67 0.74 1.97 0.04 -1.26 -4.89 135.00 133.83 3dog s PRO 292 Ca 0.30 0.54 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 3dog s PRO 292 Cb 0.03 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 32.36 3dog s PRO 292 CO -0.14 -0.29 1.10 0.14 0.04 0.00 0.00 177.00 177.85 3dog s VAL 293 N -2.78 3.26 0.51 -0.36 -7.23 -1.26 -4.46 120.40 108.09 3dog s VAL 293 Ca 0.52 0.46 -0.22 0.00 -1.81 0.00 0.00 61.98 60.93 3dog s VAL 293 Cb -0.10 -2.94 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 3dog s VAL 293 CO 0.43 -0.49 1.11 -2.65 -0.31 0.00 0.00 175.10 173.19 3dog n PRO 294 N -3.23 1.35 0.01 4.82 -0.02 -1.26 -4.87 135.00 131.79 3dog n PRO 294 Ca 0.10 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3dog n PRO 294 Cb 0.53 -2.26 0.53 0.00 -0.02 0.00 0.00 33.50 32.28 3dog n PRO 294 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3dog n HIS 295 N -1.02 0.05 -4.33 6.00 1.44 -1.26 -4.78 115.22 111.32 3dog n HIS 295 Ca 0.11 0.02 -0.30 0.00 -2.01 0.00 0.00 57.72 55.54 3dog n HIS 295 Cb 0.43 -0.53 -0.11 0.00 0.12 0.00 0.00 29.99 29.90 3dog n HIS 295 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3dog s LEU 296 N -3.09 2.71 0.52 2.39 1.43 -1.26 -5.12 118.68 116.27 3dog s LEU 296 Ca 0.12 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.46 3dog s LEU 296 Cb 0.16 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.76 3dog s LEU 296 CO 0.47 0.18 1.35 0.54 0.23 0.00 0.00 176.35 179.12 3dog n ARG 297 N 0.85 1.78 0.00 1.70 1.74 -1.26 -5.10 116.66 116.37 3dog n ARG 297 Ca -0.15 0.65 0.02 0.00 -0.77 0.00 0.00 57.85 57.60 3dog n ARG 297 Cb 0.53 -2.56 0.02 0.00 -1.02 0.00 0.00 32.46 29.43 3dog n ARG 297 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39