#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r78 n GLU 2 N 0.00 0.27 -0.00 2.12 -0.00 -1.26 -2.43 120.64 119.33 1r78 n GLU 2 Ca 0.00 0.11 0.14 0.00 -0.00 0.00 0.00 57.16 57.41 1r78 n GLU 2 Cb 0.00 -1.50 0.76 0.00 -0.00 0.00 0.00 31.44 30.70 1r78 n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1r78 n ASN 3 N -1.27 0.36 -4.05 -1.84 4.13 -1.26 -4.85 115.26 106.48 1r78 n ASN 3 Ca 0.09 -1.21 -0.25 0.00 1.68 0.00 0.00 54.58 54.88 1r78 n ASN 3 Cb 0.14 -0.01 -0.16 0.00 -1.54 0.00 0.00 39.78 38.21 1r78 n ASN 3 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1r78 s PHE 4 N -1.99 1.55 -0.21 3.10 0.08 -1.02 -0.91 117.98 118.58 1r78 s PHE 4 Ca 0.41 -0.55 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 1r78 s PHE 4 Cb 0.20 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1r78 s PHE 4 CO 0.33 -0.26 0.05 -1.14 -0.10 0.00 0.00 175.22 174.09 1r78 s GLN 5 N 0.53 3.76 0.17 0.44 0.74 -0.07 -4.92 119.66 120.30 1r78 s GLN 5 Ca -0.13 -0.44 -0.31 0.00 0.05 0.00 0.00 55.36 54.53 1r78 s GLN 5 Cb -0.15 -3.23 -0.10 0.00 1.10 0.00 0.00 33.01 30.64 1r78 s GLN 5 CO 0.04 0.02 1.51 0.21 -0.55 0.00 0.00 175.29 176.52 1r78 s LYS 6 N 1.03 4.25 -0.27 1.67 2.20 -1.26 -0.52 119.74 126.83 1r78 s LYS 6 Ca 0.03 2.29 -0.15 0.00 -0.36 0.00 0.00 55.97 57.79 1r78 s LYS 6 Cb -0.14 -3.17 -0.12 0.00 -1.51 0.00 0.00 37.83 32.89 1r78 s LYS 6 CO 0.03 -0.54 -0.30 0.28 -0.36 0.00 0.00 175.35 174.46 1r78 n VAL 7 N 3.68 1.53 -3.56 4.02 0.31 0.82 -4.89 118.33 120.24 1r78 n VAL 7 Ca 0.12 -0.32 -0.08 0.00 -0.01 0.00 0.00 64.34 64.05 1r78 n VAL 7 Cb 0.40 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 1r78 n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1r78 s GLU 8 N -2.52 0.55 0.02 5.55 -1.05 -0.83 -5.01 118.70 115.41 1r78 s GLU 8 Ca -0.37 -0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.08 1r78 s GLU 8 Cb 0.13 0.25 -0.05 0.00 -0.44 0.00 0.00 34.13 34.03 1r78 s GLU 8 CO 0.49 -0.21 1.23 0.21 0.95 0.00 0.00 175.26 177.93 1r78 s LYS 9 N -2.02 4.39 -0.14 -4.83 2.20 -1.26 -0.33 119.74 117.75 1r78 s LYS 9 Ca 0.04 1.77 -0.21 0.00 -0.36 0.00 0.00 55.97 57.21 1r78 s LYS 9 Cb -0.01 -3.43 -0.25 0.00 -1.51 0.00 0.00 37.83 32.64 1r78 s LYS 9 CO -0.04 -0.35 0.53 0.82 -0.36 0.00 0.00 175.35 175.95 1r78 h ILE 10 N 4.69 1.21 0.00 5.43 2.04 -1.02 -3.46 117.51 126.39 1r78 h ILE 10 Ca -0.39 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.14 1r78 h ILE 10 Cb 1.20 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1r78 h ILE 10 CO 0.84 0.57 0.00 0.61 0.00 0.00 0.00 178.15 180.17 1r78 n GLY 11 N 1.62 -2.33 3.66 5.37 0.00 -1.10 -5.01 105.19 107.40 1r78 n GLY 11 Ca -0.23 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 1r78 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r78 s GLU 12 N -1.88 4.26 0.00 1.61 2.56 -1.26 -0.86 118.70 123.13 1r78 s GLU 12 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 54.97 56.37 1r78 s GLU 12 Cb 0.00 -3.66 0.00 0.00 2.00 0.00 0.00 34.13 32.47 1r78 s GLU 12 CO 0.00 -0.64 0.00 0.41 -0.56 0.00 0.00 175.26 174.47 1r78 n GLY 13 N 3.36 -0.35 0.15 -1.50 0.00 0.18 -4.93 105.19 102.10 1r78 n GLY 13 Ca 0.12 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 1r78 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1r78 h THR 14 N -0.23 1.37 -0.04 2.61 2.02 -1.97 -3.36 112.91 113.31 1r78 h THR 14 Ca 0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1r78 h THR 14 Cb 0.00 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1r78 h THR 14 CO 0.00 0.46 0.00 -1.22 0.37 0.00 0.00 175.52 175.13 1r78 n TYR 15 N -4.42 0.11 -1.11 3.16 4.02 -1.26 -5.08 117.16 112.58 1r78 n TYR 15 Ca -0.07 -0.80 0.00 0.00 -0.01 0.00 0.00 57.90 57.02 1r78 n TYR 15 Cb 0.46 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 1r78 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1r78 n GLY 16 N -0.95 -2.17 3.78 2.72 0.00 -1.26 -3.90 105.19 103.41 1r78 n GLY 16 Ca 0.11 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 1r78 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r78 s VAL 17 N -2.29 4.65 -0.15 1.61 1.01 -1.17 0.50 120.40 124.56 1r78 s VAL 17 Ca 0.00 1.43 -0.05 0.00 0.00 0.00 0.00 61.98 63.36 1r78 s VAL 17 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1r78 s VAL 17 CO 0.00 0.50 -0.00 -0.69 0.00 0.00 0.00 175.10 174.90 1r78 s VAL 18 N -0.82 4.21 0.08 2.92 1.01 -0.04 -1.33 120.40 126.43 1r78 s VAL 18 Ca 0.33 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.15 1r78 s VAL 18 Cb -0.21 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1r78 s VAL 18 CO 0.21 0.50 -0.26 -0.31 0.00 0.00 0.00 175.10 175.24 1r78 s TYR 19 N 0.21 2.23 -0.05 5.22 1.51 0.37 -0.35 117.35 126.49 1r78 s TYR 19 Ca -0.00 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1r78 s TYR 19 Cb -0.13 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1r78 s TYR 19 CO 0.02 0.20 1.02 0.21 -1.11 0.00 0.00 175.55 175.89 1r78 s LYS 20 N -1.55 4.47 0.10 -0.62 2.20 0.55 0.09 119.74 124.98 1r78 s LYS 20 Ca 0.12 1.44 -0.01 0.00 -0.36 0.00 0.00 55.97 57.16 1r78 s LYS 20 Cb -0.10 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1r78 s LYS 20 CO 0.03 -0.23 0.03 0.00 -0.36 0.00 0.00 175.35 174.83 1r78 s ALA 21 N 1.61 0.67 -0.04 3.13 0.00 -0.35 -0.13 121.76 126.65 1r78 s ALA 21 Ca 0.51 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1r78 s ALA 21 Cb -0.20 0.62 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 1r78 s ALA 21 CO 0.23 -0.45 -0.18 0.50 0.00 0.00 0.00 175.76 175.86 1r78 s ARG 22 N -3.99 1.80 -0.21 0.00 3.52 0.32 -1.08 118.95 119.30 1r78 s ARG 22 Ca 0.16 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 54.85 1r78 s ARG 22 Cb 0.07 -1.57 0.01 0.00 -1.56 0.00 0.00 34.95 31.90 1r78 s ARG 22 CO -0.03 0.26 1.03 1.21 -0.81 0.00 0.00 175.30 176.97 1r78 s ASN 23 N -0.02 7.12 0.37 -2.12 3.84 0.54 -0.89 114.94 123.77 1r78 s ASN 23 Ca -0.03 1.40 0.11 0.00 0.21 0.00 0.00 52.86 54.55 1r78 s ASN 23 Cb -0.11 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 38.76 1r78 s ASN 23 CO 0.02 -0.64 1.84 0.11 -2.79 0.00 0.00 177.10 175.65 1r78 h LYS 24 N 7.40 0.12 0.00 0.43 1.57 -1.36 0.41 116.57 125.14 1r78 h LYS 24 Ca -0.21 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1r78 h LYS 24 Cb 1.07 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1r78 h LYS 24 CO 0.96 0.40 -0.15 1.25 -0.57 0.00 0.00 179.45 181.34 1r78 h LEU 25 N 0.11 0.00 0.05 2.94 5.85 -1.93 -3.40 115.31 118.93 1r78 h LEU 25 Ca 0.02 -0.58 -0.24 0.00 0.84 0.00 0.00 57.88 57.91 1r78 h LEU 25 Cb 0.57 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1r78 h LEU 25 CO 0.04 0.88 -1.15 0.00 -0.34 0.00 0.00 178.44 177.87 1r78 h THR 26 N -1.00 1.56 0.00 1.05 1.03 -1.94 -3.48 112.91 110.14 1r78 h THR 26 Ca -0.03 -3.23 0.00 0.00 -0.01 0.00 0.00 66.41 63.14 1r78 h THR 26 Cb 0.69 2.85 0.00 0.00 -1.07 0.00 0.00 68.15 70.62 1r78 h THR 26 CO -0.02 0.91 0.00 0.61 -0.01 0.00 0.00 175.52 177.01 1r78 n GLY 27 N 1.44 0.75 3.74 2.99 0.00 0.14 -5.04 105.19 109.21 1r78 n GLY 27 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1r78 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r78 s GLU 28 N -0.41 4.12 -0.18 1.61 2.12 -1.25 -4.68 118.70 120.04 1r78 s GLU 28 Ca 0.00 2.61 -0.13 0.00 0.36 0.00 0.00 54.97 57.81 1r78 s GLU 28 Cb 0.00 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 1r78 s GLU 28 CO 0.00 -0.70 0.25 0.08 -0.54 0.00 0.00 175.26 174.35 1r78 s VAL 29 N 0.55 5.33 0.23 3.70 1.01 -1.26 -0.34 120.40 129.62 1r78 s VAL 29 Ca 0.69 0.45 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1r78 s VAL 29 Cb -0.49 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1r78 s VAL 29 CO 0.41 0.39 0.14 0.68 0.00 0.00 0.00 175.10 176.72 1r78 s VAL 30 N 0.51 0.13 -0.26 2.92 -7.23 -0.25 -4.43 120.40 111.79 1r78 s VAL 30 Ca 0.14 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1r78 s VAL 30 Cb -0.13 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 1r78 s VAL 30 CO 0.03 0.00 0.04 0.00 -0.31 0.00 0.00 175.10 174.86 1r78 s ALA 31 N -3.98 3.03 -0.24 1.32 0.00 -0.36 -1.21 121.76 120.32 1r78 s ALA 31 Ca 0.39 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 1r78 s ALA 31 Cb 0.07 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 1r78 s ALA 31 CO 0.14 -0.61 0.06 -1.17 0.00 0.00 0.00 175.76 174.18 1r78 s LEU 32 N 1.54 3.42 -0.33 0.00 2.96 0.11 -0.25 118.68 126.13 1r78 s LEU 32 Ca 0.05 -0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.62 1r78 s LEU 32 Cb -0.16 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1r78 s LEU 32 CO 0.01 -0.02 0.27 -0.75 -1.32 0.00 0.00 176.35 174.55 1r78 s LYS 33 N 1.52 3.62 -0.43 1.98 2.20 0.49 -0.48 119.74 128.64 1r78 s LYS 33 Ca 0.06 -0.49 -0.18 0.00 -0.36 0.00 0.00 55.97 55.00 1r78 s LYS 33 Cb -0.15 -3.77 0.02 0.00 -1.51 0.00 0.00 37.83 32.42 1r78 s LYS 33 CO 0.03 -0.41 0.48 0.15 -0.36 0.00 0.00 175.35 175.24 1r78 s LYS 34 N 1.83 3.13 -0.17 4.03 1.02 -0.44 -0.86 119.74 128.29 1r78 s LYS 34 Ca 0.08 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.21 1r78 s LYS 34 Cb -0.17 -3.97 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 1r78 s LYS 34 CO 0.11 -0.89 0.49 0.42 -0.92 0.00 0.00 175.35 174.56 1r78 s ILE 35 N 2.28 5.15 -0.07 2.17 1.01 0.09 -3.05 121.20 128.78 1r78 s ILE 35 Ca 0.14 0.92 -0.20 0.00 0.00 0.00 0.00 60.65 61.51 1r78 s ILE 35 Cb -0.16 -3.82 -0.29 0.00 0.01 0.00 0.00 42.46 38.19 1r78 s ILE 35 CO 0.15 0.25 0.76 -0.09 0.00 0.00 0.00 174.94 176.01 1r78 h ARG 36 N 7.13 0.26 -2.25 2.79 2.43 -1.86 -3.27 114.38 119.61 1r78 h ARG 36 Ca -0.37 -0.44 0.27 0.00 -0.81 0.00 0.00 59.98 58.62 1r78 h ARG 36 Cb 1.17 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.80 1r78 h ARG 36 CO 0.74 1.21 -0.43 1.28 -1.51 0.00 0.00 179.97 181.27 1r78 n LEU 37 N -4.09 -0.52 0.00 3.80 4.77 -1.26 -4.81 117.00 114.89 1r78 n LEU 37 Ca -0.18 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1r78 n LEU 37 Cb 0.83 -3.07 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 1r78 n LEU 37 CO 0.45 -2.56 0.00 0.35 -1.33 0.00 0.00 177.39 174.30 1r78 n THR 47 N -3.37 0.00 -0.11 -5.08 -2.24 -1.26 -5.13 114.28 97.09 1r78 n THR 47 Ca -0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1r78 n THR 47 Cb 0.46 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.87 1r78 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r78 h ALA 48 N 0.00 1.18 -0.86 6.98 0.00 -2.05 -1.36 119.26 123.15 1r78 h ALA 48 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1r78 h ALA 48 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1r78 h ALA 48 CO 0.00 0.55 0.57 0.82 0.00 0.00 0.00 179.25 181.19 1r78 h ILE 49 N 0.76 1.22 -0.38 0.00 1.08 -2.05 -0.09 117.51 118.06 1r78 h ILE 49 Ca 0.16 -0.40 -0.14 0.00 -0.39 0.00 0.00 64.86 64.09 1r78 h ILE 49 Cb 0.36 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1r78 h ILE 49 CO 0.01 0.21 -0.33 0.03 -0.69 0.00 0.00 178.15 177.38 1r78 h ARG 50 N 1.16 0.86 -0.54 2.37 3.08 -1.87 -2.02 114.38 117.42 1r78 h ARG 50 Ca 0.31 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1r78 h ARG 50 Cb -0.13 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1r78 h ARG 50 CO -0.07 1.06 0.27 1.49 -1.07 0.00 0.00 179.97 181.65 1r78 h GLU 51 N 0.72 0.78 -0.40 0.04 4.57 -0.52 -2.30 114.58 117.46 1r78 h GLU 51 Ca 0.07 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 1r78 h GLU 51 Cb 0.89 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1r78 h GLU 51 CO 0.08 0.63 -0.16 0.82 -1.18 0.00 0.00 179.01 179.20 1r78 h ILE 52 N 0.73 1.28 -0.99 2.32 1.08 -1.03 -1.98 117.51 118.92 1r78 h ILE 52 Ca 0.19 -1.29 0.21 0.00 -0.39 0.00 0.00 64.86 63.58 1r78 h ILE 52 Cb 0.11 1.26 -0.09 0.00 -3.07 0.00 0.00 36.82 35.02 1r78 h ILE 52 CO -0.02 0.43 0.62 0.28 -0.69 0.00 0.00 178.15 178.77 1r78 h SER 53 N 0.63 0.62 0.26 1.72 0.02 -1.23 -0.94 113.55 114.64 1r78 h SER 53 Ca 0.09 0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 60.92 1r78 h SER 53 Cb 0.71 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 1r78 h SER 53 CO 0.05 0.21 -0.81 -0.07 -1.14 0.00 0.00 176.83 175.07 1r78 h LEU 54 N 0.60 0.52 -1.43 5.07 3.38 -0.96 -3.18 115.31 119.31 1r78 h LEU 54 Ca 0.56 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1r78 h LEU 54 Cb 1.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1r78 h LEU 54 CO -0.32 1.14 -0.00 0.25 0.09 0.00 0.00 178.44 179.60 1r78 h LEU 55 N 0.27 0.34 -1.94 1.67 5.85 -0.48 -2.27 115.31 118.75 1r78 h LEU 55 Ca -0.05 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1r78 h LEU 55 Cb 1.41 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 1r78 h LEU 55 CO 0.14 0.40 -0.07 0.50 -0.34 0.00 0.00 178.44 179.07 1r78 h LYS 56 N 0.36 0.00 0.00 1.25 3.64 -1.26 -1.31 116.57 119.25 1r78 h LYS 56 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1r78 h LYS 56 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1r78 h LYS 56 CO 0.01 0.07 -0.12 0.93 -2.27 0.00 0.00 179.45 178.06 1r78 h GLU 57 N 0.00 0.00 -5.29 1.90 5.08 -1.50 -3.42 114.58 111.35 1r78 h GLU 57 Ca -0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1r78 h GLU 57 Cb 0.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1r78 h GLU 57 CO 0.01 0.00 2.28 -0.11 -1.00 0.00 0.00 179.01 180.19 1r78 n LEU 58 N -2.39 5.09 -4.60 1.33 7.94 -0.49 -4.94 117.00 118.93 1r78 n LEU 58 Ca 0.05 -3.81 -0.34 0.00 -1.11 0.00 0.00 56.01 50.79 1r78 n LEU 58 Cb 0.45 -1.69 -0.10 0.00 0.53 0.00 0.00 43.42 42.61 1r78 n LEU 58 CO 0.32 0.08 -0.27 0.20 -1.11 0.00 0.00 177.39 176.61 1r78 s ASN 59 N 4.34 5.48 -0.12 1.96 0.02 -1.26 -4.94 114.94 120.42 1r78 s ASN 59 Ca 0.54 0.03 -0.27 0.00 -1.02 0.00 0.00 52.86 52.15 1r78 s ASN 59 Cb 0.06 -1.94 0.06 0.00 0.02 0.00 0.00 41.25 39.46 1r78 s ASN 59 CO 0.05 0.16 0.64 -2.28 0.02 0.00 0.00 177.10 175.69 1r78 s HIS 60 N 0.45 -0.65 0.63 2.20 2.46 -1.26 -5.04 115.29 114.08 1r78 s HIS 60 Ca 0.02 1.30 0.33 0.00 0.47 0.00 0.00 55.06 57.18 1r78 s HIS 60 Cb -0.13 0.32 1.83 0.00 -0.13 0.00 0.00 32.58 34.47 1r78 s HIS 60 CO 0.01 -0.49 2.10 -1.00 -2.47 0.00 0.00 174.74 172.88 1r78 h PRO 61 N 3.85 0.00 -0.36 2.88 0.13 -1.99 -2.23 132.00 134.28 1r78 h PRO 61 Ca -0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1r78 h PRO 61 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1r78 h PRO 61 CO 0.28 0.00 0.03 0.09 -0.23 0.00 0.00 178.00 178.16 1r78 n ASN 62 N -3.34 3.66 -4.12 1.44 4.13 -1.26 -4.86 115.26 110.90 1r78 n ASN 62 Ca -0.00 -3.25 -0.29 0.00 1.68 0.00 0.00 54.58 52.72 1r78 n ASN 62 Cb 0.30 -0.60 -0.17 0.00 -1.54 0.00 0.00 39.78 37.77 1r78 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1r78 s ILE 63 N -2.97 1.65 0.14 2.41 1.01 -0.84 -0.43 121.20 122.18 1r78 s ILE 63 Ca 0.45 -0.77 -0.33 0.00 0.00 0.00 0.00 60.65 60.00 1r78 s ILE 63 Cb 0.37 -1.46 -0.13 0.00 0.01 0.00 0.00 42.46 41.25 1r78 s ILE 63 CO 0.07 0.47 1.65 0.55 0.00 0.00 0.00 174.94 177.68 1r78 n VAL 64 N 3.78 0.08 -2.25 2.92 3.14 -0.20 -4.58 118.33 121.21 1r78 n VAL 64 Ca -0.20 -0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 60.74 1r78 n VAL 64 Cb 0.52 -1.68 -0.03 0.00 -1.06 0.00 0.00 33.84 31.60 1r78 n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1r78 s LYS 65 N 1.36 4.29 -0.50 1.45 2.20 -1.26 -4.88 119.74 122.40 1r78 s LYS 65 Ca 0.80 1.93 -0.27 0.00 -0.36 0.00 0.00 55.97 58.06 1r78 s LYS 65 Cb -0.64 -3.56 0.03 0.00 -1.51 0.00 0.00 37.83 32.15 1r78 s LYS 65 CO 0.38 -0.55 1.04 -1.17 -0.36 0.00 0.00 175.35 174.69 1r78 s LEU 66 N 2.33 3.81 -0.14 5.43 2.96 -1.26 -0.66 118.68 131.15 1r78 s LEU 66 Ca 0.63 0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 54.40 1r78 s LEU 66 Cb -0.31 -3.25 -0.26 0.00 0.50 0.00 0.00 46.19 42.88 1r78 s LEU 66 CO 0.26 -1.22 0.77 -0.07 -1.32 0.00 0.00 176.35 174.78 1r78 h LEU 67 N 11.07 -0.00 -7.53 -0.68 3.38 -0.24 -3.47 115.31 117.85 1r78 h LEU 67 Ca -0.24 -0.99 -0.12 0.00 0.09 0.00 0.00 57.88 56.62 1r78 h LEU 67 Cb 1.07 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.62 1r78 h LEU 67 CO 1.10 0.99 -0.29 -1.81 0.09 0.00 0.00 178.44 178.51 1r78 s ASP 68 N -6.21 -0.18 -0.19 -0.43 1.01 -0.83 -5.01 116.67 104.83 1r78 s ASP 68 Ca -0.19 0.07 -0.01 0.00 0.71 0.00 0.00 52.55 53.13 1r78 s ASP 68 Cb -0.03 0.31 0.00 0.00 1.01 0.00 0.00 42.92 44.21 1r78 s ASP 68 CO 0.69 -0.44 -0.12 -0.69 0.21 0.00 0.00 175.17 174.82 1r78 s VAL 69 N -1.30 2.76 -0.34 -1.27 1.01 -1.26 -0.73 120.40 119.26 1r78 s VAL 69 Ca -0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1r78 s VAL 69 Cb -0.05 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.18 1r78 s VAL 69 CO 0.04 0.48 0.08 -0.63 0.00 0.00 0.00 175.10 175.07 1r78 s ILE 70 N 1.28 3.28 -0.62 2.22 1.01 0.00 -5.01 121.20 123.37 1r78 s ILE 70 Ca 0.03 -1.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.10 1r78 s ILE 70 Cb -0.14 -2.97 0.16 0.00 0.01 0.00 0.00 42.46 39.52 1r78 s ILE 70 CO -0.06 -0.27 0.51 -2.28 0.00 0.00 0.00 174.94 172.84 1r78 s HIS 71 N 1.27 3.49 -0.24 3.97 2.46 -1.26 -1.46 115.29 123.52 1r78 s HIS 71 Ca -0.01 -1.97 -0.04 0.00 0.47 0.00 0.00 55.06 53.51 1r78 s HIS 71 Cb -0.20 -3.59 0.08 0.00 -0.13 0.00 0.00 32.58 28.74 1r78 s HIS 71 CO -0.01 -0.97 0.10 0.95 -2.47 0.00 0.00 174.74 172.35 1r78 s THR 72 N 0.79 0.06 0.00 0.89 -4.23 -1.03 -5.06 115.64 107.06 1r78 s THR 72 Ca 0.11 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1r78 s THR 72 Cb -0.21 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1r78 s THR 72 CO -0.03 -0.51 0.00 1.21 -0.54 0.00 0.00 174.62 174.75 1r78 n GLU 73 N 5.21 0.00 -0.22 3.99 2.13 -1.26 -3.69 120.64 126.79 1r78 n GLU 73 Ca -0.06 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.73 1r78 n GLU 73 Cb 0.45 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.18 1r78 n GLU 73 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1r78 n ASN 74 N 0.20 3.63 -3.91 4.31 4.05 -1.26 -4.85 115.26 117.42 1r78 n ASN 74 Ca 0.00 -2.24 -0.16 0.00 0.45 0.00 0.00 54.58 52.63 1r78 n ASN 74 Cb 0.00 -0.66 -0.15 0.00 1.23 0.00 0.00 39.78 40.20 1r78 n ASN 74 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1r78 s LYS 75 N -0.33 0.41 -0.09 1.20 -0.14 -1.24 -4.74 119.74 114.80 1r78 s LYS 75 Ca 0.06 -0.11 0.01 0.00 -1.36 0.00 0.00 55.97 54.57 1r78 s LYS 75 Cb 0.05 -0.43 0.02 0.00 -1.68 0.00 0.00 37.83 35.78 1r78 s LYS 75 CO 0.01 0.03 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.36 1r78 s LEU 76 N 0.24 1.42 -0.07 3.17 2.96 -1.24 -2.46 118.68 122.70 1r78 s LEU 76 Ca -0.02 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1r78 s LEU 76 Cb -0.06 -0.85 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 1r78 s LEU 76 CO -0.00 -0.05 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.44 1r78 s TYR 77 N 1.22 2.28 -0.22 5.38 2.02 -0.54 -0.73 117.35 126.77 1r78 s TYR 77 Ca -0.04 -0.76 -0.03 0.00 -0.37 0.00 0.00 57.07 55.87 1r78 s TYR 77 Cb -0.14 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1r78 s TYR 77 CO -0.03 -0.27 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.10 1r78 s LEU 78 N 0.06 2.83 -0.37 -1.29 1.43 -0.04 -0.82 118.68 120.48 1r78 s LEU 78 Ca -0.09 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 1r78 s LEU 78 Cb -0.15 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 1r78 s LEU 78 CO 0.05 -0.04 0.32 -0.69 0.23 0.00 0.00 176.35 176.22 1r78 s VAL 79 N 1.42 5.22 0.29 -1.59 1.01 0.09 -0.38 120.40 126.45 1r78 s VAL 79 Ca 0.05 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.86 1r78 s VAL 79 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1r78 s VAL 79 CO -0.05 -0.16 0.00 -0.36 0.00 0.00 0.00 175.10 174.53 1r78 s PHE 80 N 1.86 2.65 0.48 5.22 0.08 0.65 0.53 117.98 129.45 1r78 s PHE 80 Ca 0.08 -0.28 -0.24 0.00 0.12 0.00 0.00 56.93 56.61 1r78 s PHE 80 Cb -0.17 -1.28 -0.07 0.00 -0.57 0.00 0.00 43.02 40.92 1r78 s PHE 80 CO 0.11 0.57 1.42 -1.91 -0.10 0.00 0.00 175.22 175.31 1r78 n GLU 81 N -0.92 2.09 -3.78 0.44 2.13 0.17 -1.23 120.64 119.55 1r78 n GLU 81 Ca -0.06 0.75 -0.36 0.00 0.66 0.00 0.00 57.16 58.15 1r78 n GLU 81 Cb 0.60 -2.63 -0.07 0.00 0.27 0.00 0.00 31.44 29.61 1r78 n GLU 81 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1r78 s PHE 82 N -1.22 3.54 0.14 4.31 2.19 -1.26 -4.26 117.98 121.41 1r78 s PHE 82 Ca 0.65 0.51 0.11 0.00 0.33 0.00 0.00 56.93 58.52 1r78 s PHE 82 Cb -0.44 -2.07 -0.04 0.00 -1.31 0.00 0.00 43.02 39.16 1r78 s PHE 82 CO 0.55 0.55 -0.26 -0.51 1.83 0.00 0.00 175.22 177.38 1r78 s LEU 83 N -0.46 2.34 0.41 6.12 1.02 -1.26 -4.98 118.68 121.86 1r78 s LEU 83 Ca 0.14 -0.76 0.26 0.00 0.02 0.00 0.00 54.13 53.78 1r78 s LEU 83 Cb -0.12 -1.16 0.66 0.00 0.02 0.00 0.00 46.19 45.59 1r78 s LEU 83 CO 0.03 0.15 1.72 0.45 0.02 0.00 0.00 176.35 178.72 1r78 h HIS 84 N 3.80 0.00 -2.97 0.29 3.86 -1.99 -3.47 115.15 114.67 1r78 h HIS 84 Ca -0.50 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.60 1r78 h HIS 84 Cb 1.18 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.44 1r78 h HIS 84 CO 0.62 0.00 -0.26 -1.14 0.86 0.00 0.00 177.93 178.01 1r78 s GLN 85 N -3.28 0.65 0.25 2.45 0.74 -1.22 -5.06 119.66 114.19 1r78 s GLN 85 Ca 0.06 -0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.44 1r78 s GLN 85 Cb 0.07 0.29 -0.03 0.00 1.10 0.00 0.00 33.01 34.44 1r78 s GLN 85 CO 0.62 -0.17 0.38 0.16 -0.55 0.00 0.00 175.29 175.73 1r78 s ASP 86 N -1.11 6.32 0.35 6.67 1.47 -1.26 -0.63 116.67 128.48 1r78 s ASP 86 Ca -0.12 0.11 0.03 0.00 1.18 0.00 0.00 52.55 53.75 1r78 s ASP 86 Cb -0.05 -1.88 0.65 0.00 -0.34 0.00 0.00 42.92 41.30 1r78 s ASP 86 CO 0.04 -0.09 1.99 0.25 0.68 0.00 0.00 175.17 178.04 1r78 h LEU 87 N 1.13 0.68 -0.37 2.11 5.85 -0.13 -2.50 115.31 122.08 1r78 h LEU 87 Ca -0.52 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.20 1r78 h LEU 87 Cb 1.23 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1r78 h LEU 87 CO 0.61 0.52 0.19 0.50 -0.34 0.00 0.00 178.44 179.92 1r78 h LYS 88 N 0.79 0.38 -0.55 1.25 1.63 -1.75 0.34 116.57 118.66 1r78 h LYS 88 Ca 0.21 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1r78 h LYS 88 Cb -0.03 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 1r78 h LYS 88 CO -0.04 0.25 0.33 -0.22 -3.45 0.00 0.00 179.45 176.32 1r78 h LYS 89 N 0.39 0.75 0.21 1.90 3.64 -1.83 0.20 116.57 121.83 1r78 h LYS 89 Ca 0.16 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1r78 h LYS 89 Cb 0.06 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1r78 h LYS 89 CO -0.10 0.55 -0.10 0.35 -2.27 0.00 0.00 179.45 177.88 1r78 h PHE 90 N 0.74 -0.26 -0.50 1.91 3.57 -1.01 0.73 116.94 122.13 1r78 h PHE 90 Ca 0.20 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.79 1r78 h PHE 90 Cb -0.00 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 38.72 1r78 h PHE 90 CO -0.02 -0.03 -0.19 0.52 -2.23 0.00 0.00 178.31 176.36 1r78 h MET 91 N -0.45 -0.07 -0.58 1.11 2.86 -0.19 0.03 114.93 117.63 1r78 h MET 91 Ca -0.03 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1r78 h MET 91 Cb 0.34 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1r78 h MET 91 CO 0.05 -0.05 0.30 -0.44 1.06 0.00 0.00 176.91 177.83 1r78 h ASP 92 N -0.08 0.43 0.86 1.22 3.32 -0.34 -1.37 116.42 120.45 1r78 h ASP 92 Ca 0.24 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1r78 h ASP 92 Cb 0.44 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1r78 h ASP 92 CO -0.55 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.25 1r78 h ALA 93 N 1.32 1.00 -0.38 3.45 0.00 -0.15 -3.03 119.26 121.46 1r78 h ALA 93 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1r78 h ALA 93 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r78 h ALA 93 CO -0.18 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.50 1r78 n SER 94 N -2.92 3.40 0.19 0.00 7.64 -0.07 -4.68 113.62 117.18 1r78 n SER 94 Ca 0.00 -1.97 0.14 0.00 1.01 0.00 0.00 58.87 58.06 1r78 n SER 94 Cb 0.26 -0.25 0.61 0.00 -1.01 0.00 0.00 64.21 63.83 1r78 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r78 h ALA 95 N 4.24 1.00 0.22 -0.43 0.00 -1.27 0.99 119.26 124.01 1r78 h ALA 95 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1r78 h ALA 95 Cb 0.95 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.77 1r78 h ALA 95 CO 0.00 0.00 -1.42 -0.07 0.00 0.00 0.00 179.25 177.76 1r78 h LEU 96 N 0.00 0.72 0.00 0.00 4.07 -1.86 -3.38 115.31 114.86 1r78 h LEU 96 Ca 0.00 -0.77 -0.30 0.00 0.08 0.00 0.00 57.88 56.89 1r78 h LEU 96 Cb 0.36 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 41.81 1r78 h LEU 96 CO 0.00 1.61 -2.13 0.35 -1.08 0.00 0.00 178.44 177.19 1r78 n THR 97 N -3.66 1.13 0.00 0.22 -2.24 -1.07 -5.12 114.28 103.54 1r78 n THR 97 Ca -0.14 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1r78 n THR 97 Cb 1.08 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1r78 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r78 n GLY 98 N 2.04 -1.95 3.73 3.38 0.00 0.34 -4.91 105.19 107.82 1r78 n GLY 98 Ca -0.27 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1r78 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r78 s ILE 99 N -2.91 2.16 0.34 -0.61 1.01 -1.26 -4.93 121.20 115.00 1r78 s ILE 99 Ca 0.00 0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.49 1r78 s ILE 99 Cb 0.00 -3.08 -0.12 0.00 0.01 0.00 0.00 42.46 39.27 1r78 s ILE 99 CO 0.00 0.01 1.38 -2.65 0.00 0.00 0.00 174.94 173.68 1r78 n PRO 100 N 3.22 2.32 -0.27 2.79 -0.02 -1.26 -4.75 135.00 137.03 1r78 n PRO 100 Ca 0.12 0.82 0.07 0.00 -2.02 0.00 0.00 63.50 62.49 1r78 n PRO 100 Cb 0.37 -2.46 0.22 0.00 -0.02 0.00 0.00 33.50 31.60 1r78 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1r78 h LEU 101 N 2.93 0.25 -1.47 2.45 5.85 -1.98 -0.58 115.31 122.76 1r78 h LEU 101 Ca -0.47 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1r78 h LEU 101 Cb 1.27 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1r78 h LEU 101 CO 0.65 0.05 0.36 -0.65 -0.34 0.00 0.00 178.44 178.52 1r78 h PRO 102 N 0.41 0.71 -0.22 5.25 0.11 -1.98 0.58 132.00 136.84 1r78 h PRO 102 Ca 0.45 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.34 1r78 h PRO 102 Cb 0.75 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 1r78 h PRO 102 CO -0.46 0.47 -0.59 1.25 -0.21 0.00 0.00 178.00 178.46 1r78 h LEU 103 N 0.73 0.82 -0.39 2.35 5.85 -1.51 -1.10 115.31 122.06 1r78 h LEU 103 Ca 0.20 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1r78 h LEU 103 Cb -0.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1r78 h LEU 103 CO -0.05 1.23 0.22 0.40 -0.34 0.00 0.00 178.44 179.90 1r78 h ILE 104 N 0.55 1.01 -0.41 4.05 2.04 -0.76 -1.46 117.51 122.53 1r78 h ILE 104 Ca 0.00 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1r78 h ILE 104 Cb 1.18 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1r78 h ILE 104 CO 0.12 0.08 0.12 0.50 0.00 0.00 0.00 178.15 178.97 1r78 h LYS 105 N 0.44 0.64 -0.27 2.37 3.64 -0.80 -0.51 116.57 122.07 1r78 h LYS 105 Ca 0.16 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1r78 h LYS 105 Cb 0.04 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1r78 h LYS 105 CO -0.09 0.64 0.12 1.03 -2.27 0.00 0.00 179.45 178.89 1r78 h SER 106 N 0.51 0.18 -0.46 4.20 0.87 -1.08 -0.78 113.55 117.00 1r78 h SER 106 Ca 0.13 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1r78 h SER 106 Cb 0.28 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1r78 h SER 106 CO -0.00 0.14 0.18 1.88 -0.53 0.00 0.00 176.83 178.50 1r78 h TYR 107 N 0.27 0.69 -0.11 2.24 0.05 -1.04 -1.01 116.97 118.06 1r78 h TYR 107 Ca 0.11 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.85 1r78 h TYR 107 Cb 0.04 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1r78 h TYR 107 CO -0.10 0.59 0.01 1.25 -1.05 0.00 0.00 178.16 178.86 1r78 h LEU 108 N 0.59 -0.02 -0.53 3.88 5.85 -0.97 -1.69 115.31 122.43 1r78 h LEU 108 Ca 0.15 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1r78 h LEU 108 Cb 0.19 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1r78 h LEU 108 CO -0.01 0.01 0.29 0.15 -0.34 0.00 0.00 178.44 178.54 1r78 h PHE 109 N 0.06 0.55 -0.50 1.25 3.57 -0.97 -0.95 116.94 119.95 1r78 h PHE 109 Ca 0.05 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1r78 h PHE 109 Cb 0.05 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1r78 h PHE 109 CO -0.12 0.29 -0.17 1.96 -2.23 0.00 0.00 178.31 178.04 1r78 h GLN 110 N 0.58 0.99 -0.55 1.11 4.20 -1.07 -1.77 115.11 118.60 1r78 h GLN 110 Ca 0.22 -0.40 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 1r78 h GLN 110 Cb 0.09 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1r78 h GLN 110 CO -0.13 1.08 0.06 -0.07 -0.67 0.00 0.00 178.83 179.10 1r78 h LEU 111 N 0.85 0.85 -1.34 1.46 3.38 -1.13 -0.78 115.31 118.60 1r78 h LEU 111 Ca 0.12 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1r78 h LEU 111 Cb 0.74 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1r78 h LEU 111 CO 0.06 0.88 -0.20 -0.07 0.09 0.00 0.00 178.44 179.20 1r78 h LEU 112 N 0.84 0.19 -0.16 1.67 3.38 -0.97 0.32 115.31 120.58 1r78 h LEU 112 Ca 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1r78 h LEU 112 Cb 0.42 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1r78 h LEU 112 CO 0.01 0.40 -0.06 1.56 0.09 0.00 0.00 178.44 180.45 1r78 h GLN 113 N 0.18 0.31 -0.61 1.13 4.20 -0.78 -0.15 115.11 119.39 1r78 h GLN 113 Ca 0.03 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.64 1r78 h GLN 113 Cb 0.46 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1r78 h GLN 113 CO 0.03 0.61 0.38 0.78 -0.67 0.00 0.00 178.83 179.97 1r78 h GLY 114 N -0.00 0.87 1.04 3.46 0.00 -0.89 -2.03 103.07 105.51 1r78 h GLY 114 Ca 0.04 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1r78 h GLY 114 CO 0.02 0.26 -0.37 1.41 0.00 0.00 0.00 176.54 177.86 1r78 h LEU 115 N 0.76 0.85 -0.83 3.11 3.38 -0.91 -1.12 115.31 120.55 1r78 h LEU 115 Ca 0.24 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1r78 h LEU 115 Cb -0.01 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 1r78 h LEU 115 CO -0.09 1.17 0.49 0.00 0.09 0.00 0.00 178.44 180.11 1r78 h ALA 116 N 0.71 1.17 0.56 1.53 0.00 -0.90 0.29 119.26 122.63 1r78 h ALA 116 Ca 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1r78 h ALA 116 Cb 0.96 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1r78 h ALA 116 CO 0.09 0.17 -0.27 0.35 0.00 0.00 0.00 179.25 179.58 1r78 h PHE 117 N 0.86 -0.70 -0.44 0.00 3.57 -1.15 -0.87 116.94 118.22 1r78 h PHE 117 Ca 0.39 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.96 1r78 h PHE 117 Cb 0.28 0.23 -0.09 0.00 2.79 0.00 0.00 35.95 39.16 1r78 h PHE 117 CO -0.05 -0.41 -0.23 0.00 -2.23 0.00 0.00 178.31 175.40 1r78 h HIS 119 N -0.14 0.62 0.00 0.00 3.86 -0.39 0.03 115.15 119.13 1r78 h HIS 119 Ca 0.21 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1r78 h HIS 119 Cb 0.46 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 1r78 h HIS 119 CO -0.48 0.57 -0.10 0.66 0.86 0.00 0.00 177.93 179.45 1r78 h SER 120 N 0.58 0.00 -0.63 2.45 4.64 -0.76 -1.22 113.55 118.60 1r78 h SER 120 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1r78 h SER 120 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1r78 h SER 120 CO 0.01 0.10 0.00 1.41 -0.87 0.00 0.00 176.83 177.47 1r78 n HIS 121 N -3.49 1.44 -3.19 4.77 8.25 -0.40 -4.94 115.22 117.66 1r78 n HIS 121 Ca -0.01 -0.57 -0.23 0.00 -0.26 0.00 0.00 57.72 56.65 1r78 n HIS 121 Cb 0.24 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.13 1r78 n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1r78 n ARG 122 N 1.10 -4.10 -4.08 -0.41 5.12 -0.46 -4.99 116.66 108.83 1r78 n ARG 122 Ca 0.25 0.68 -0.35 0.00 -1.93 0.00 0.00 57.85 56.50 1r78 n ARG 122 Cb 0.86 -5.46 -0.12 0.00 -1.16 0.00 0.00 32.46 26.58 1r78 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1r78 s VAL 123 N -3.04 4.16 0.06 1.55 1.01 -0.14 -4.99 120.40 119.01 1r78 s VAL 123 Ca 0.35 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1r78 s VAL 123 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1r78 s VAL 123 CO 0.43 0.43 0.07 -0.76 0.00 0.00 0.00 175.10 175.27 1r78 s LEU 124 N 0.84 3.78 -0.08 3.92 1.43 -1.26 -3.42 118.68 123.89 1r78 s LEU 124 Ca 0.01 0.00 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 1r78 s LEU 124 Cb -0.14 -2.41 -0.22 0.00 0.03 0.00 0.00 46.19 43.45 1r78 s LEU 124 CO 0.02 0.19 1.02 -0.74 0.23 0.00 0.00 176.35 177.08 1r78 h HIS 125 N 3.49 -0.01 0.00 0.29 -0.00 -1.98 -3.39 115.15 113.55 1r78 h HIS 125 Ca -0.47 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1r78 h HIS 125 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 1r78 h HIS 125 CO 0.61 0.70 0.00 0.54 -0.00 0.00 0.00 177.93 179.78 1r78 n ARG 126 N -4.75 0.00 -2.73 5.26 1.74 -1.26 -4.51 116.66 110.41 1r78 n ARG 126 Ca -0.09 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.94 1r78 n ARG 126 Cb 0.35 -0.66 0.06 0.00 -1.02 0.00 0.00 32.46 31.19 1r78 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1r78 n ASP 127 N 0.24 0.69 -4.73 0.55 2.03 -1.26 -5.01 116.55 109.06 1r78 n ASP 127 Ca 0.00 -2.36 -0.42 0.00 0.52 0.00 0.00 54.79 52.53 1r78 n ASP 127 Cb 0.00 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 1r78 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1r78 s LEU 128 N -3.51 4.37 0.14 -2.67 1.43 -1.26 -4.93 118.68 112.24 1r78 s LEU 128 Ca 0.24 2.75 -0.21 0.00 -1.03 0.00 0.00 54.13 55.89 1r78 s LEU 128 Cb 0.40 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 43.06 1r78 s LEU 128 CO -0.03 -0.84 0.53 -1.59 0.23 0.00 0.00 176.35 174.65 1r78 s LYS 129 N 0.39 1.19 0.48 1.70 -2.85 -1.26 -4.81 119.74 114.58 1r78 s LYS 129 Ca 0.67 -0.54 0.20 0.00 -1.00 0.00 0.00 55.97 55.30 1r78 s LYS 129 Cb -0.45 0.54 1.21 0.00 -2.06 0.00 0.00 37.83 37.07 1r78 s LYS 129 CO 0.38 -0.50 1.96 -1.35 0.10 0.00 0.00 175.35 175.94 1r78 h PRO 130 N 2.17 0.22 0.00 1.78 0.11 -1.94 -1.83 132.00 132.50 1r78 h PRO 130 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1r78 h PRO 130 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1r78 h PRO 130 CO 0.41 0.14 0.00 1.96 -0.21 0.00 0.00 178.00 180.31 1r78 h GLN 131 N 0.22 0.00 -0.27 1.05 7.50 -1.95 -2.61 115.11 119.06 1r78 h GLN 131 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1r78 h GLN 131 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.43 1r78 h GLN 131 CO -0.06 0.00 0.00 0.27 -1.50 0.00 0.00 178.83 177.54 1r78 n ASN 132 N -2.48 3.43 -4.53 1.46 0.23 -0.70 -4.85 115.26 107.82 1r78 n ASN 132 Ca 0.02 -2.65 -0.37 0.00 -0.53 0.00 0.00 54.58 51.05 1r78 n ASN 132 Cb 0.27 -0.42 -0.11 0.00 -2.08 0.00 0.00 39.78 37.44 1r78 n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1r78 s LEU 133 N -2.16 3.71 -0.08 -4.53 1.43 -1.11 -2.40 118.68 113.52 1r78 s LEU 133 Ca 0.34 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1r78 s LEU 133 Cb 0.25 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1r78 s LEU 133 CO 0.10 0.00 -0.05 -0.76 0.23 0.00 0.00 176.35 175.87 1r78 s LEU 134 N 1.42 3.24 0.21 1.79 1.43 -0.50 0.07 118.68 126.33 1r78 s LEU 134 Ca 0.06 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.25 1r78 s LEU 134 Cb -0.15 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1r78 s LEU 134 CO 0.05 0.33 -0.21 0.27 0.23 0.00 0.00 176.35 177.03 1r78 s ILE 135 N -0.64 2.19 0.43 -0.59 -4.36 0.20 -0.04 121.20 118.39 1r78 s ILE 135 Ca 0.10 -2.10 0.04 0.00 -0.26 0.00 0.00 60.65 58.42 1r78 s ILE 135 Cb -0.12 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 1r78 s ILE 135 CO 0.02 -0.27 0.13 0.54 0.24 0.00 0.00 174.94 175.60 1r78 s ASN 136 N -2.91 2.98 0.15 4.36 2.20 -1.04 -3.40 114.94 117.28 1r78 s ASN 136 Ca 0.22 -1.71 0.23 0.00 -0.94 0.00 0.00 52.86 50.66 1r78 s ASN 136 Cb -0.06 0.57 0.91 0.00 -2.00 0.00 0.00 41.25 40.67 1r78 s ASN 136 CO 0.10 -0.96 1.72 0.35 -2.94 0.00 0.00 177.10 175.37 1r78 n THR 137 N -0.97 0.66 1.47 0.54 -2.24 -1.26 -3.05 114.28 109.42 1r78 n THR 137 Ca -0.07 0.05 0.14 0.00 -2.27 0.00 0.00 64.05 61.90 1r78 n THR 137 Cb 0.65 -0.85 0.68 0.00 -2.10 0.00 0.00 70.33 68.70 1r78 n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r78 n GLU 138 N -1.98 0.67 -0.44 -0.78 4.71 -1.26 -4.62 120.64 116.93 1r78 n GLU 138 Ca 0.04 -0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 1r78 n GLU 138 Cb 0.29 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1r78 n GLU 138 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1r78 n GLY 139 N 1.25 0.75 3.86 0.62 0.00 -1.17 -4.87 105.19 105.64 1r78 n GLY 139 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1r78 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r78 s ALA 140 N -2.38 3.38 0.00 4.61 0.00 -1.26 -4.92 121.76 121.19 1r78 s ALA 140 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1r78 s ALA 140 Cb 0.00 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1r78 s ALA 140 CO 0.00 0.26 -0.11 -1.50 0.00 0.00 0.00 175.76 174.41 1r78 s ILE 141 N -2.07 0.85 0.01 0.00 2.07 -1.26 -2.49 121.20 118.31 1r78 s ILE 141 Ca 0.52 -0.55 0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1r78 s ILE 141 Cb -0.10 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.74 1r78 s ILE 141 CO 0.22 0.17 -0.10 -0.54 -1.91 0.00 0.00 174.94 172.79 1r78 s LYS 142 N -0.43 0.71 0.24 3.50 1.02 0.94 -4.63 119.74 121.10 1r78 s LYS 142 Ca 0.03 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 1r78 s LYS 142 Cb -0.05 -0.66 -0.09 0.00 -0.52 0.00 0.00 37.83 36.51 1r78 s LYS 142 CO -0.00 0.17 1.18 -0.51 -0.92 0.00 0.00 175.35 175.27 1r78 s LEU 143 N -0.70 4.48 0.13 3.17 1.43 0.43 -1.42 118.68 126.21 1r78 s LEU 143 Ca 0.00 2.33 -0.10 0.00 -1.03 0.00 0.00 54.13 55.33 1r78 s LEU 143 Cb -0.06 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1r78 s LEU 143 CO 0.00 -0.31 0.26 0.00 0.23 0.00 0.00 176.35 176.53 1r78 s ALA 144 N -0.64 -0.23 -0.82 4.21 0.00 -1.01 -1.04 121.76 122.24 1r78 s ALA 144 Ca 0.49 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1r78 s ALA 144 Cb -0.34 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1r78 s ALA 144 CO 0.41 -0.59 0.69 -3.47 0.00 0.00 0.00 175.76 172.79 1r78 n ASP 145 N -0.15 -2.52 -3.36 0.00 -0.08 -1.26 -4.81 116.55 104.37 1r78 n ASP 145 Ca -0.12 -0.40 -0.15 0.00 -1.51 0.00 0.00 54.79 52.61 1r78 n ASP 145 Cb 0.63 -3.57 -0.05 0.00 2.34 0.00 0.00 41.12 40.47 1r78 n ASP 145 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1r78 s PHE 146 N -3.23 1.17 0.00 -0.67 -0.12 -1.26 -4.80 117.98 109.06 1r78 s PHE 146 Ca 0.07 -1.34 0.00 0.00 -0.05 0.00 0.00 56.93 55.60 1r78 s PHE 146 Cb -0.03 -0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.14 1r78 s PHE 146 CO 0.49 -1.05 0.00 0.41 -0.05 0.00 0.00 175.22 175.02 1r78 n GLY 147 N -0.55 0.55 3.32 1.99 0.00 -1.26 -5.11 105.19 104.13 1r78 n GLY 147 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1r78 n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r78 s VAL 164 N -2.00 -0.02 -0.15 1.61 1.01 -1.26 -4.96 120.40 114.62 1r78 s VAL 164 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1r78 s VAL 164 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1r78 s VAL 164 CO 0.00 0.03 0.53 -0.89 0.00 0.00 0.00 175.10 174.77 1r78 s THR 165 N 1.35 5.13 -1.56 3.92 2.01 -1.26 -4.95 115.64 120.28 1r78 s THR 165 Ca -0.09 1.02 0.17 0.00 0.31 0.00 0.00 61.69 63.11 1r78 s THR 165 Cb -0.08 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1r78 s THR 165 CO -0.13 0.24 0.89 0.18 -0.69 0.00 0.00 174.62 175.12 1r78 n LEU 166 N 4.23 1.67 0.18 4.42 4.77 -1.26 -4.68 117.00 126.33 1r78 n LEU 166 Ca -0.05 -0.76 0.13 0.00 -0.03 0.00 0.00 56.01 55.31 1r78 n LEU 166 Cb 0.51 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.29 1r78 n LEU 166 CO 0.43 0.32 1.12 -0.50 -1.33 0.00 0.00 177.39 177.43 1r78 h TRP 167 N 1.85 0.00 -0.37 -1.77 4.06 -1.81 -1.58 115.95 116.33 1r78 h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1r78 h TRP 167 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1r78 h TRP 167 CO 0.00 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.54 1r78 n TYR 168 N -4.37 0.48 -2.48 0.49 4.01 -1.26 -4.50 117.16 109.53 1r78 n TYR 168 Ca 0.01 -0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 57.02 1r78 n TYR 168 Cb 0.27 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1r78 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1r78 s ARG 169 N -1.20 4.47 0.49 -0.72 6.06 -0.60 -3.86 118.95 123.59 1r78 s ARG 169 Ca 0.32 1.70 -0.23 0.00 -2.50 0.00 0.00 55.73 55.02 1r78 s ARG 169 Cb 0.18 -3.36 -0.06 0.00 0.06 0.00 0.00 34.95 31.77 1r78 s ARG 169 CO 0.25 -0.18 1.25 0.00 -2.50 0.00 0.00 175.30 174.12 1r78 s ALA 170 N 0.91 2.94 0.44 6.12 0.00 -1.26 -4.90 121.76 126.01 1r78 s ALA 170 Ca 0.56 1.12 0.11 0.00 0.00 0.00 0.00 51.96 53.75 1r78 s ALA 170 Cb -0.28 -3.47 0.97 0.00 0.00 0.00 0.00 23.12 20.35 1r78 s ALA 170 CO 0.30 -0.96 2.04 -1.00 0.00 0.00 0.00 175.76 176.14 1r78 h PRO 171 N 1.87 0.26 -0.43 0.00 0.13 -1.95 -2.53 132.00 129.36 1r78 h PRO 171 Ca -0.50 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1r78 h PRO 171 Cb 1.27 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1r78 h PRO 171 CO 0.59 0.25 0.16 1.05 -0.23 0.00 0.00 178.00 179.82 1r78 h GLU 172 N 0.26 0.62 -0.07 0.86 9.09 -1.92 0.16 114.58 123.59 1r78 h GLU 172 Ca 0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 1r78 h GLU 172 Cb 0.10 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1r78 h GLU 172 CO -0.00 0.52 0.02 0.82 0.05 0.00 0.00 179.01 180.41 1r78 h ILE 173 N 0.61 1.20 0.00 -1.06 2.04 -1.75 0.80 117.51 119.35 1r78 h ILE 173 Ca 0.15 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1r78 h ILE 173 Cb 0.14 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1r78 h ILE 173 CO -0.01 0.17 -0.02 -0.07 0.00 0.00 0.00 178.15 178.22 1r78 h LEU 174 N -0.11 0.00 -1.48 1.44 3.38 -1.19 -1.69 115.31 115.65 1r78 h LEU 174 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1r78 h LEU 174 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1r78 h LEU 174 CO 0.00 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1r78 n LEU 175 N -4.28 2.20 0.00 1.67 4.77 -0.00 -4.89 117.00 116.46 1r78 n LEU 175 Ca -0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1r78 n LEU 175 Cb 0.10 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1r78 n LEU 175 CO 0.32 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1r78 n GLY 176 N 1.21 0.78 3.72 -0.72 0.00 -0.64 -1.30 105.19 108.24 1r78 n GLY 176 Ca 0.16 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1r78 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r78 h LYS 178 N 6.82 0.28 -2.62 0.00 3.64 -1.95 -3.41 116.57 119.33 1r78 h LYS 178 Ca -0.43 -0.48 -0.61 0.00 -1.27 0.00 0.00 60.65 57.86 1r78 h LYS 178 Cb 1.20 0.18 -0.42 0.00 -0.41 0.00 0.00 32.23 32.78 1r78 h LYS 178 CO 0.96 1.16 -0.60 0.66 -2.27 0.00 0.00 179.45 179.36 1r78 n TYR 179 N -3.47 3.30 -2.32 1.91 4.01 -1.26 -5.08 117.16 114.25 1r78 n TYR 179 Ca -0.23 -4.21 -0.25 0.00 -0.16 0.00 0.00 57.90 53.05 1r78 n TYR 179 Cb 1.06 -0.57 0.09 0.00 -0.31 0.00 0.00 39.34 39.60 1r78 n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1r78 s TYR 180 N -1.93 2.43 0.47 -0.72 -0.85 -1.26 -5.09 117.35 110.40 1r78 s TYR 180 Ca 0.33 0.20 0.03 0.00 -0.52 0.00 0.00 57.07 57.10 1r78 s TYR 180 Cb 0.06 -3.21 -0.04 0.00 0.38 0.00 0.00 41.96 39.15 1r78 s TYR 180 CO -0.09 -1.56 0.01 -1.54 -1.52 0.00 0.00 175.55 170.84 1r78 s SER 181 N -4.60 3.99 0.61 -0.18 1.04 -1.26 -5.00 113.70 108.29 1r78 s SER 181 Ca 0.63 -1.55 0.28 0.00 0.48 0.00 0.00 55.95 55.79 1r78 s SER 181 Cb -0.09 0.18 1.36 0.00 0.10 0.00 0.00 66.02 67.58 1r78 s SER 181 CO 0.45 -0.70 1.78 0.71 0.98 0.00 0.00 173.24 176.45 1r78 h THR 182 N 1.52 0.23 -0.06 2.02 1.35 -1.98 -1.34 112.91 114.65 1r78 h THR 182 Ca -0.44 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.44 1r78 h THR 182 Cb 1.29 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1r78 h THR 182 CO 0.76 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 176.15 1r78 h ALA 183 N 1.24 1.44 -0.48 6.62 0.00 -1.94 -1.95 119.26 124.20 1r78 h ALA 183 Ca 0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1r78 h ALA 183 Cb 1.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1r78 h ALA 183 CO -0.00 -0.15 0.19 -0.39 0.00 0.00 0.00 179.25 178.90 1r78 h VAL 184 N 0.00 1.18 -0.07 0.00 -1.51 -1.63 -1.91 116.25 112.32 1r78 h VAL 184 Ca 0.03 -0.56 -0.17 0.00 -1.23 0.00 0.00 66.70 64.78 1r78 h VAL 184 Cb 0.27 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 1r78 h VAL 184 CO -0.00 0.22 -0.68 0.44 -1.23 0.00 0.00 177.57 176.32 1r78 h ASP 185 N 0.68 0.35 -0.39 4.19 3.32 -1.58 -2.26 116.42 120.72 1r78 h ASP 185 Ca 0.16 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1r78 h ASP 185 Cb 0.14 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1r78 h ASP 185 CO -0.02 0.92 -0.06 0.40 -1.72 0.00 0.00 179.24 178.76 1r78 h ILE 186 N 0.21 1.27 0.05 0.35 1.08 -1.54 -0.30 117.51 118.62 1r78 h ILE 186 Ca -0.02 -1.12 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1r78 h ILE 186 Cb 1.23 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 1r78 h ILE 186 CO 0.11 0.38 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.55 1r78 h TRP 187 N 0.55 -0.38 -0.58 1.37 2.91 -1.24 -0.64 115.95 117.95 1r78 h TRP 187 Ca 0.10 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.19 1r78 h TRP 187 Cb 0.57 0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 29.33 1r78 h TRP 187 CO 0.05 -0.22 0.30 0.77 -1.03 0.00 0.00 178.44 178.31 1r78 h SER 188 N -0.27 0.44 -0.45 2.65 0.02 -1.24 -1.92 113.55 112.78 1r78 h SER 188 Ca 0.03 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1r78 h SER 188 Cb 0.30 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1r78 h SER 188 CO -0.11 0.29 0.06 0.25 -1.14 0.00 0.00 176.83 176.19 1r78 h LEU 189 N 0.58 0.77 -0.28 5.07 5.85 -0.82 -1.93 115.31 124.54 1r78 h LEU 189 Ca 0.26 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1r78 h LEU 189 Cb 0.16 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1r78 h LEU 189 CO -0.17 0.80 0.05 1.23 -0.34 0.00 0.00 178.44 180.01 1r78 h GLY 190 N 0.97 0.32 0.72 3.75 0.00 -0.53 0.78 103.07 109.08 1r78 h GLY 190 Ca 0.16 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.53 1r78 h GLY 190 CO 0.01 -0.01 0.48 0.00 0.00 0.00 0.00 176.54 177.02 1r78 h ILE 192 N 0.89 1.25 0.04 0.00 2.04 -0.92 -1.96 117.51 118.85 1r78 h ILE 192 Ca 0.35 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1r78 h ILE 192 Cb 0.17 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1r78 h ILE 192 CO -0.17 0.32 -0.21 0.15 0.00 0.00 0.00 178.15 178.24 1r78 h PHE 193 N 0.73 -0.56 -0.54 1.37 3.57 -0.48 -0.23 116.94 120.79 1r78 h PHE 193 Ca 0.16 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1r78 h PHE 193 Cb 0.37 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1r78 h PHE 193 CO 0.03 -0.30 0.23 0.00 -2.23 0.00 0.00 178.31 176.03 1r78 h ALA 194 N 0.49 0.69 -0.79 2.41 0.00 -1.17 -2.30 119.26 118.58 1r78 h ALA 194 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1r78 h ALA 194 Cb 0.42 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1r78 h ALA 194 CO -0.17 -0.15 0.39 1.49 0.00 0.00 0.00 179.25 180.81 1r78 h GLU 195 N 0.44 1.13 -0.75 0.00 4.81 -1.01 -0.82 114.58 118.37 1r78 h GLU 195 Ca 0.26 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1r78 h GLU 195 Cb 0.25 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1r78 h GLU 195 CO -0.23 0.87 0.42 0.52 -0.73 0.00 0.00 179.01 179.85 1r78 h MET 196 N 1.11 1.04 -0.02 1.92 2.86 -0.60 -0.49 114.93 120.75 1r78 h MET 196 Ca 0.27 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1r78 h MET 196 Cb 0.10 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1r78 h MET 196 CO -0.04 0.76 -0.05 0.28 1.06 0.00 0.00 176.91 178.93 1r78 h VAL 197 N 1.05 1.46 0.00 -2.22 2.07 -0.96 -3.36 116.25 114.28 1r78 h VAL 197 Ca 0.27 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1r78 h VAL 197 Cb 0.02 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1r78 h VAL 197 CO -0.04 0.38 -0.89 0.35 0.02 0.00 0.00 177.57 177.38 1r78 n THR 198 N -4.74 0.38 -1.51 2.57 -2.24 -0.36 -4.80 114.28 103.59 1r78 n THR 198 Ca -0.09 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.17 1r78 n THR 198 Cb 0.32 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1r78 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1r78 n ARG 199 N -2.26 -1.12 -4.46 -0.78 1.74 -0.20 -5.01 116.66 104.58 1r78 n ARG 199 Ca 0.02 1.05 -0.20 0.00 -0.77 0.00 0.00 57.85 57.94 1r78 n ARG 199 Cb 0.48 -5.23 -0.15 0.00 -1.02 0.00 0.00 32.46 26.53 1r78 n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1r78 s ARG 200 N -3.43 0.96 0.20 5.56 3.52 -1.25 -5.06 118.95 119.45 1r78 s ARG 200 Ca 0.00 -0.36 -0.32 0.00 -0.13 0.00 0.00 55.73 54.91 1r78 s ARG 200 Cb 0.00 -0.91 -0.15 0.00 -1.56 0.00 0.00 34.95 32.33 1r78 s ARG 200 CO 0.00 0.18 1.26 0.00 -0.81 0.00 0.00 175.30 175.94 1r78 n ALA 201 N 3.03 -0.03 -0.03 6.12 0.00 -1.26 -4.13 120.51 124.21 1r78 n ALA 201 Ca -0.16 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 1r78 n ALA 201 Cb 0.55 -2.13 -0.08 0.00 0.00 0.00 0.00 19.45 17.79 1r78 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r78 h LEU 202 N 3.72 0.15 -6.33 0.00 5.85 -1.92 -3.40 115.31 113.39 1r78 h LEU 202 Ca -0.44 -0.43 -0.59 0.00 0.84 0.00 0.00 57.88 57.26 1r78 h LEU 202 Cb 1.32 -0.04 -0.40 0.00 0.37 0.00 0.00 40.66 41.90 1r78 h LEU 202 CO 0.72 0.55 -0.86 0.49 -0.34 0.00 0.00 178.44 179.01 1r78 n PHE 203 N -4.76 1.10 -1.72 1.25 3.72 -1.26 -5.01 117.46 110.77 1r78 n PHE 203 Ca -0.07 -3.77 -0.42 0.00 -0.05 0.00 0.00 57.45 53.14 1r78 n PHE 203 Cb 0.26 -0.29 -0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1r78 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1r78 n PRO 204 N 1.73 3.10 -2.73 -1.08 -0.04 -1.26 -4.38 135.00 130.33 1r78 n PRO 204 Ca 0.25 -2.64 -0.33 0.00 -0.04 0.00 0.00 63.50 60.74 1r78 n PRO 204 Cb 0.46 -3.16 -0.06 0.00 -0.04 0.00 0.00 33.50 30.69 1r78 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1r78 s GLY 205 N 2.76 2.40 0.00 0.55 0.00 -1.26 -4.99 107.32 106.78 1r78 s GLY 205 Ca 0.50 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.69 1r78 s GLY 205 CO -0.08 0.73 1.06 2.09 0.00 0.00 0.00 173.10 176.90 1r78 n ASP 206 N -0.76 2.25 -3.84 1.64 5.75 -1.26 -4.57 116.55 115.76 1r78 n ASP 206 Ca 0.08 -1.98 -0.10 0.00 -0.01 0.00 0.00 54.79 52.78 1r78 n ASP 206 Cb 0.54 -0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.51 1r78 n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1r78 s SER 207 N -0.98 0.05 0.16 -1.12 1.04 -1.26 -5.02 113.70 106.57 1r78 s SER 207 Ca 0.07 -1.02 -0.11 0.00 0.48 0.00 0.00 55.95 55.37 1r78 s SER 207 Cb 0.04 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.82 1r78 s SER 207 CO 0.05 -1.19 1.64 -0.33 0.98 0.00 0.00 173.24 174.38 1r78 h GLU 208 N 2.22 0.95 -0.33 4.02 5.08 -1.99 0.08 114.58 124.61 1r78 h GLU 208 Ca -0.27 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 57.67 1r78 h GLU 208 Cb 1.25 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1r78 h GLU 208 CO 0.36 0.93 -0.39 0.97 -1.00 0.00 0.00 179.01 179.88 1r78 h ILE 209 N 0.83 1.28 -0.63 3.13 6.09 -1.97 0.59 117.51 126.83 1r78 h ILE 209 Ca 0.17 -1.57 -0.02 0.00 -1.37 0.00 0.00 64.86 62.07 1r78 h ILE 209 Cb 0.46 1.50 -0.03 0.00 0.47 0.00 0.00 36.82 39.22 1r78 h ILE 209 CO 0.02 0.52 0.32 -0.78 -3.07 0.00 0.00 178.15 175.15 1r78 h ASP 210 N 0.64 0.81 -0.00 2.19 3.58 -1.94 0.37 116.42 122.07 1r78 h ASP 210 Ca 0.05 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.39 1r78 h ASP 210 Cb 0.98 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 1r78 h ASP 210 CO 0.09 0.69 -0.08 -0.61 -2.88 0.00 0.00 179.24 176.46 1r78 h GLN 211 N 0.86 -0.13 -0.54 0.28 5.75 -0.79 0.78 115.11 121.33 1r78 h GLN 211 Ca 0.22 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1r78 h GLN 211 Cb 0.09 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1r78 h GLN 211 CO -0.03 -0.09 0.30 1.25 -2.65 0.00 0.00 178.83 177.61 1r78 h LEU 212 N -0.13 0.67 -0.68 -2.39 5.85 -0.52 -2.14 115.31 115.96 1r78 h LEU 212 Ca 0.03 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1r78 h LEU 212 Cb 0.18 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1r78 h LEU 212 CO -0.08 0.56 -0.60 -0.26 -0.34 0.00 0.00 178.44 177.72 1r78 h PHE 213 N 0.72 0.26 -0.62 1.25 -1.00 -0.12 -0.64 116.94 116.79 1r78 h PHE 213 Ca 0.19 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1r78 h PHE 213 Cb 0.04 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 1r78 h PHE 213 CO -0.02 0.75 0.37 0.00 -1.61 0.00 0.00 178.31 177.80 1r78 h ARG 214 N 0.15 0.85 -0.17 1.51 3.08 -0.68 -0.89 114.38 118.24 1r78 h ARG 214 Ca -0.01 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1r78 h ARG 214 Cb 1.10 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1r78 h ARG 214 CO 0.09 0.62 0.11 0.82 -1.07 0.00 0.00 179.97 180.54 1r78 h ILE 215 N 0.84 1.05 -0.85 2.04 2.04 -1.09 -2.85 117.51 118.71 1r78 h ILE 215 Ca 0.22 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1r78 h ILE 215 Cb -0.01 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1r78 h ILE 215 CO -0.04 0.05 0.56 -0.26 0.00 0.00 0.00 178.15 178.46 1r78 h PHE 216 N 0.22 1.06 0.00 1.37 -1.00 -0.97 -0.15 116.94 117.47 1r78 h PHE 216 Ca 0.06 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.77 1r78 h PHE 216 Cb -0.01 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.18 1r78 h PHE 216 CO -0.06 0.67 -0.45 0.00 -1.61 0.00 0.00 178.31 176.86 1r78 h ARG 217 N 1.14 0.00 0.09 1.51 3.08 -1.04 0.26 114.38 119.44 1r78 h ARG 217 Ca 0.31 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.07 1r78 h ARG 217 Cb -0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1r78 h ARG 217 CO -0.07 0.45 -1.51 1.15 -1.07 0.00 0.00 179.97 178.92 1r78 h THR 218 N 0.00 0.92 -0.01 2.04 2.02 -1.23 -3.40 112.91 113.24 1r78 h THR 218 Ca -0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1r78 h THR 218 Cb 0.91 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1r78 h THR 218 CO 0.06 0.68 -0.31 0.18 0.37 0.00 0.00 175.52 176.50 1r78 n LEU 219 N -3.92 1.91 0.00 2.58 4.77 -0.10 -1.04 117.00 121.20 1r78 n LEU 219 Ca -0.28 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1r78 n LEU 219 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1r78 n LEU 219 CO 0.37 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1r78 n GLY 220 N 1.20 -0.06 3.68 -0.72 0.00 0.92 -4.35 105.19 105.86 1r78 n GLY 220 Ca 0.08 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1r78 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r78 s THR 221 N -2.21 3.36 0.40 2.61 2.01 -0.72 -4.57 115.64 116.53 1r78 s THR 221 Ca 0.00 0.66 -0.26 0.00 0.31 0.00 0.00 61.69 62.41 1r78 s THR 221 Cb 0.00 -3.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 1r78 s THR 221 CO 0.00 -0.03 1.23 -2.16 -0.69 0.00 0.00 174.62 172.97 1r78 s PRO 222 N 3.18 4.01 0.13 4.92 0.04 -1.26 -4.86 135.00 141.15 1r78 s PRO 222 Ca 0.72 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.75 1r78 s PRO 222 Cb -0.36 -2.71 -0.00 0.00 0.04 0.00 0.00 34.50 31.46 1r78 s PRO 222 CO 0.30 -0.40 0.04 -0.40 0.04 0.00 0.00 177.00 176.59 1r78 n ASP 223 N 0.10 1.12 0.25 6.66 5.68 -1.26 -4.98 116.55 124.13 1r78 n ASP 223 Ca 0.04 -1.66 0.17 0.00 -0.50 0.00 0.00 54.79 52.84 1r78 n ASP 223 Cb 0.45 0.30 0.74 0.00 -1.14 0.00 0.00 41.12 41.47 1r78 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1r78 h GLU 224 N 0.00 0.00 0.15 0.11 4.39 -1.97 -1.43 114.58 115.83 1r78 h GLU 224 Ca -0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1r78 h GLU 224 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1r78 h GLU 224 CO 0.16 0.00 -0.07 0.28 -1.16 0.00 0.00 179.01 178.22 1r78 h VAL 225 N 0.00 0.96 0.00 3.13 2.07 -1.99 -3.00 116.25 117.42 1r78 h VAL 225 Ca 0.00 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 1r78 h VAL 225 Cb 0.36 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1r78 h VAL 225 CO 0.00 0.23 -0.80 -0.37 0.02 0.00 0.00 177.57 176.65 1r78 h VAL 226 N -0.78 0.66 -2.55 2.57 -1.51 -1.97 -3.41 116.25 109.27 1r78 h VAL 226 Ca -0.02 -2.02 -0.59 0.00 -1.23 0.00 0.00 66.70 62.84 1r78 h VAL 226 Cb 0.53 2.22 -0.39 0.00 -2.13 0.00 0.00 31.29 31.53 1r78 h VAL 226 CO 0.03 0.37 -0.88 0.86 -1.23 0.00 0.00 177.57 176.72 1r78 s TRP 227 N -2.99 1.14 0.19 5.19 -0.11 -0.54 -4.24 118.94 117.58 1r78 s TRP 227 Ca 0.02 -2.09 -0.32 0.00 1.22 0.00 0.00 56.10 54.93 1r78 s TRP 227 Cb 0.08 -1.09 -0.12 0.00 -1.50 0.00 0.00 33.47 30.84 1r78 s TRP 227 CO 0.77 -0.81 1.74 -2.14 -4.62 0.00 0.00 176.95 171.88 1r78 s PRO 228 N 0.43 4.13 0.00 5.86 0.02 -1.13 -1.90 135.00 142.41 1r78 s PRO 228 Ca 0.25 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1r78 s PRO 228 Cb -0.10 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1r78 s PRO 228 CO -0.09 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 1r78 n GLY 229 N 4.02 3.16 0.37 0.52 0.00 -1.26 -4.99 105.19 107.00 1r78 n GLY 229 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1r78 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1r78 h VAL 230 N 0.00 0.95 0.00 1.61 3.04 -1.69 0.60 116.25 120.76 1r78 h VAL 230 Ca 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1r78 h VAL 230 Cb 0.00 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.30 1r78 h VAL 230 CO 0.00 0.15 0.00 0.35 -1.01 0.00 0.00 177.57 177.06 1r78 n THR 231 N -4.53 0.40 1.02 3.17 -2.24 -1.26 -2.59 114.28 108.24 1r78 n THR 231 Ca 0.15 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 1r78 n THR 231 Cb 0.33 -0.77 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1r78 n THR 231 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1r78 n SER 232 N -1.30 2.04 -4.77 3.42 2.88 0.20 -4.90 113.62 111.20 1r78 n SER 232 Ca 0.09 -1.52 -0.37 0.00 -1.33 0.00 0.00 58.87 55.74 1r78 n SER 232 Cb 0.16 0.42 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 1r78 n SER 232 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1r78 s MET 233 N -2.44 4.00 0.28 -1.46 -1.94 -1.07 -4.94 119.30 111.73 1r78 s MET 233 Ca 0.20 1.70 -0.07 0.00 -1.71 0.00 0.00 55.69 55.82 1r78 s MET 233 Cb 0.18 -2.55 0.50 0.00 2.01 0.00 0.00 34.83 34.98 1r78 s MET 233 CO 0.55 -0.33 1.57 -1.35 -0.01 0.00 0.00 175.02 175.45 1r78 h PRO 234 N 2.41 0.00 -0.36 2.03 0.11 -1.81 -1.32 132.00 133.07 1r78 h PRO 234 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1r78 h PRO 234 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1r78 h PRO 234 CO 0.62 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 1r78 n ASP 235 N -5.58 3.88 -4.76 -2.05 8.00 -0.42 -4.97 116.55 110.65 1r78 n ASP 235 Ca 0.17 -2.66 -0.41 0.00 0.71 0.00 0.00 54.79 52.60 1r78 n ASP 235 Cb 0.54 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1r78 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1r78 s TYR 236 N -2.20 3.31 -0.11 1.24 5.04 -0.50 -4.94 117.35 119.19 1r78 s TYR 236 Ca 0.39 1.54 0.01 0.00 -2.44 0.00 0.00 57.07 56.57 1r78 s TYR 236 Cb 0.29 -3.49 0.02 0.00 0.35 0.00 0.00 41.96 39.12 1r78 s TYR 236 CO 0.13 -1.24 -0.14 0.15 -1.34 0.00 0.00 175.55 173.12 1r78 s LYS 237 N -1.54 2.10 0.59 4.97 -0.14 -1.26 -4.91 119.74 119.54 1r78 s LYS 237 Ca 0.47 -0.51 0.29 0.00 -1.36 0.00 0.00 55.97 54.87 1r78 s LYS 237 Cb -0.36 -1.85 1.39 0.00 -1.68 0.00 0.00 37.83 35.33 1r78 s LYS 237 CO 0.47 -0.12 1.77 -1.35 -0.76 0.00 0.00 175.35 175.36 1r78 h PRO 238 N 7.61 0.00 -0.02 -1.68 0.11 -1.96 0.47 132.00 136.53 1r78 h PRO 238 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1r78 h PRO 238 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1r78 h PRO 238 CO 0.49 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 1r78 n SER 239 N -3.67 0.72 -4.67 -2.05 3.41 -1.26 -4.87 113.62 101.23 1r78 n SER 239 Ca 0.13 -1.31 -0.44 0.00 -0.26 0.00 0.00 58.87 56.99 1r78 n SER 239 Cb 0.90 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.82 1r78 n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1r78 n PHE 240 N -0.41 2.11 -1.43 7.33 3.72 0.15 -4.95 117.46 123.99 1r78 n PHE 240 Ca 0.20 0.48 -0.36 0.00 -0.05 0.00 0.00 57.45 57.72 1r78 n PHE 240 Cb 0.22 -2.43 0.08 0.00 -0.94 0.00 0.00 39.48 36.41 1r78 n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1r78 n PRO 241 N 1.68 0.63 -3.55 -1.08 -0.02 -1.26 -4.97 135.00 126.43 1r78 n PRO 241 Ca 0.10 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1r78 n PRO 241 Cb 0.32 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 1r78 n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1r78 s LYS 242 N -3.35 3.05 0.39 -0.52 1.02 -1.26 -4.83 119.74 114.23 1r78 s LYS 242 Ca 0.75 -2.54 -0.07 0.00 0.02 0.00 0.00 55.97 54.13 1r78 s LYS 242 Cb -0.35 -4.04 -0.05 0.00 -0.52 0.00 0.00 37.83 32.86 1r78 s LYS 242 CO 0.48 -1.23 0.71 -1.58 -0.92 0.00 0.00 175.35 172.81 1r78 s TRP 243 N -0.03 3.49 0.13 3.18 0.51 -1.26 -4.94 118.94 120.02 1r78 s TRP 243 Ca 0.18 0.86 -0.05 0.00 -2.12 0.00 0.00 56.10 54.97 1r78 s TRP 243 Cb -0.15 -2.30 -0.06 0.00 -0.81 0.00 0.00 33.47 30.15 1r78 s TRP 243 CO -0.06 -0.07 0.37 0.00 -0.51 0.00 0.00 176.95 176.68 1r78 s ALA 244 N -2.38 3.79 0.27 0.98 0.00 -1.26 -1.75 121.76 121.41 1r78 s ALA 244 Ca 0.48 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 1r78 s ALA 244 Cb -0.10 -2.13 -0.10 0.00 0.00 0.00 0.00 23.12 20.78 1r78 s ALA 244 CO 0.34 0.67 1.43 0.50 0.00 0.00 0.00 175.76 178.70 1r78 s ARG 245 N -2.56 4.26 0.51 0.00 3.52 -1.26 -3.95 118.95 119.48 1r78 s ARG 245 Ca 0.40 2.32 -0.17 0.00 -0.13 0.00 0.00 55.73 58.15 1r78 s ARG 245 Cb -0.12 -3.09 -0.08 0.00 -1.56 0.00 0.00 34.95 30.10 1r78 s ARG 245 CO 0.24 -0.41 0.99 -0.65 -0.81 0.00 0.00 175.30 174.66 1r78 s GLN 246 N -0.69 3.95 0.15 5.12 -1.52 -0.21 -4.84 119.66 121.62 1r78 s GLN 246 Ca 0.58 0.96 -0.33 0.00 -1.95 0.00 0.00 55.36 54.61 1r78 s GLN 246 Cb -0.42 -2.14 -0.13 0.00 -0.22 0.00 0.00 33.01 30.10 1r78 s GLN 246 CO 0.46 -0.27 1.64 -3.47 -0.25 0.00 0.00 175.29 173.40 1r78 n ASP 247 N -1.57 3.35 0.17 5.90 -0.08 -1.26 -4.90 116.55 118.16 1r78 n ASP 247 Ca 0.07 1.06 0.03 0.00 -1.51 0.00 0.00 54.79 54.44 1r78 n ASP 247 Cb 0.54 -1.46 0.28 0.00 2.34 0.00 0.00 41.12 42.82 1r78 n ASP 247 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1r78 h PHE 248 N 6.50 0.00 0.00 -0.67 3.57 -1.94 -2.85 116.94 121.55 1r78 h PHE 248 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1r78 h PHE 248 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1r78 h PHE 248 CO 0.66 0.46 0.00 0.66 -2.23 0.00 0.00 178.31 177.86 1r78 h SER 249 N 0.00 0.00 1.21 0.41 4.64 -1.97 -2.34 113.55 115.50 1r78 h SER 249 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1r78 h SER 249 Cb 0.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1r78 h SER 249 CO 0.06 0.00 -0.53 0.50 -0.87 0.00 0.00 176.83 175.99 1r78 h LYS 250 N 0.00 0.00 0.18 4.77 3.64 -1.90 -3.32 116.57 119.95 1r78 h LYS 250 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1r78 h LYS 250 Cb 0.45 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1r78 h LYS 250 CO 0.00 0.53 -1.33 0.28 -2.27 0.00 0.00 179.45 176.66 1r78 h VAL 251 N 0.00 1.22 -0.76 2.00 2.07 -1.47 -3.40 116.25 115.91 1r78 h VAL 251 Ca -0.01 -2.55 -0.45 0.00 0.82 0.00 0.00 66.70 64.51 1r78 h VAL 251 Cb 1.28 2.96 -0.42 0.00 -1.52 0.00 0.00 31.29 33.60 1r78 h VAL 251 CO 0.07 0.77 -0.92 1.33 0.02 0.00 0.00 177.57 178.84 1r78 n VAL 252 N -3.86 2.06 -1.86 2.57 0.24 -1.20 -5.01 118.33 111.26 1r78 n VAL 252 Ca -0.19 -3.86 -0.41 0.00 -2.04 0.00 0.00 64.34 57.84 1r78 n VAL 252 Cb 0.98 -0.34 -0.01 0.00 -1.47 0.00 0.00 33.84 33.00 1r78 n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1r78 s PRO 253 N -3.63 4.16 -0.49 7.34 0.04 -1.25 -0.50 135.00 140.67 1r78 s PRO 253 Ca 0.42 2.50 0.02 0.00 0.04 0.00 0.00 61.00 63.99 1r78 s PRO 253 Cb 0.39 -3.00 0.47 0.00 0.04 0.00 0.00 34.50 32.39 1r78 s PRO 253 CO -0.01 -0.48 1.67 -0.35 0.04 0.00 0.00 177.00 177.87 1r78 n PRO 254 N 0.87 2.97 -1.71 0.56 -0.04 -1.26 -4.71 135.00 131.67 1r78 n PRO 254 Ca 0.02 -3.61 -0.43 0.00 -0.04 0.00 0.00 63.50 59.44 1r78 n PRO 254 Cb 0.39 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 1r78 n PRO 254 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r78 n LEU 255 N -0.86 3.81 -4.70 1.53 7.94 0.34 -4.98 117.00 120.08 1r78 n LEU 255 Ca 0.54 1.12 -0.29 0.00 -1.11 0.00 0.00 56.01 56.26 1r78 n LEU 255 Cb 0.84 -1.53 0.16 0.00 0.53 0.00 0.00 43.42 43.43 1r78 n LEU 255 CO 0.60 -0.05 0.65 1.51 -1.11 0.00 0.00 177.39 178.99 1r78 s ASP 256 N 0.66 2.93 0.29 1.96 1.47 -1.26 -4.68 116.67 118.04 1r78 s ASP 256 Ca 0.70 1.27 0.03 0.00 1.18 0.00 0.00 52.55 55.73 1r78 s ASP 256 Cb -0.56 -1.94 0.65 0.00 -0.34 0.00 0.00 42.92 40.73 1r78 s ASP 256 CO 0.44 -2.95 1.79 -0.08 0.68 0.00 0.00 175.17 175.05 1r78 h GLU 257 N -1.76 0.79 -0.32 2.11 4.57 -1.99 -1.00 114.58 116.98 1r78 h GLU 257 Ca -0.53 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.58 1r78 h GLU 257 Cb 1.31 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1r78 h GLU 257 CO 0.57 0.52 0.10 -0.44 -1.18 0.00 0.00 179.01 178.58 1r78 h ASP 258 N 0.81 0.46 -0.38 1.04 3.32 -1.97 -1.13 116.42 118.57 1r78 h ASP 258 Ca 0.54 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 1r78 h ASP 258 Cb 0.74 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1r78 h ASP 258 CO -0.34 0.54 0.17 1.23 -1.72 0.00 0.00 179.24 179.11 1r78 h GLY 259 N 0.36 0.59 1.15 2.75 0.00 -1.70 -1.13 103.07 105.08 1r78 h GLY 259 Ca 0.10 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1r78 h GLY 259 CO -0.00 0.29 0.05 3.21 0.00 0.00 0.00 176.54 180.09 1r78 h ARG 260 N 0.47 1.03 0.08 4.80 3.08 -1.19 0.62 114.38 123.27 1r78 h ARG 260 Ca 0.13 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1r78 h ARG 260 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1r78 h ARG 260 CO -0.01 0.98 -0.04 1.03 -1.07 0.00 0.00 179.97 180.86 1r78 h SER 261 N 0.96 -0.09 -0.28 7.04 0.87 -1.03 -0.69 113.55 120.33 1r78 h SER 261 Ca 0.18 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1r78 h SER 261 Cb 0.48 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1r78 h SER 261 CO 0.02 -0.00 0.17 0.25 -0.53 0.00 0.00 176.83 176.73 1r78 h LEU 262 N -0.16 0.28 -0.42 2.23 5.85 -1.04 -2.43 115.31 119.62 1r78 h LEU 262 Ca -0.01 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1r78 h LEU 262 Cb 0.13 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1r78 h LEU 262 CO 0.02 0.20 0.07 0.25 -0.34 0.00 0.00 178.44 178.64 1r78 h LEU 263 N 0.35 -0.02 -1.29 2.25 5.85 -0.77 -0.71 115.31 120.97 1r78 h LEU 263 Ca 0.11 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.96 1r78 h LEU 263 Cb -0.01 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1r78 h LEU 263 CO -0.05 0.02 0.51 0.77 -0.34 0.00 0.00 178.44 179.36 1r78 h SER 264 N 0.20 0.76 0.61 1.25 4.64 -0.95 -0.81 113.55 119.25 1r78 h SER 264 Ca 0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 1r78 h SER 264 Cb 0.26 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1r78 h SER 264 CO -0.28 0.50 -0.45 1.56 -0.87 0.00 0.00 176.83 177.29 1r78 h GLN 265 N 0.87 0.00 0.00 4.77 4.20 -0.82 -2.73 115.11 121.39 1r78 h GLN 265 Ca 0.33 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 1r78 h GLN 265 Cb 0.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1r78 h GLN 265 CO -0.11 0.45 -0.11 0.52 -0.67 0.00 0.00 178.83 178.91 1r78 h MET 266 N 0.00 0.00 -0.33 1.46 2.86 0.08 -1.81 114.93 117.20 1r78 h MET 266 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1r78 h MET 266 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1r78 h MET 266 CO 0.06 0.11 0.00 1.28 1.06 0.00 0.00 176.91 179.42 1r78 n LEU 267 N -3.15 4.26 -4.77 1.22 4.77 -0.43 -3.84 117.00 115.06 1r78 n LEU 267 Ca 0.03 -3.03 -0.41 0.00 -0.03 0.00 0.00 56.01 52.56 1r78 n LEU 267 Cb 0.51 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1r78 n LEU 267 CO 0.34 0.68 1.15 1.41 -1.33 0.00 0.00 177.39 179.64 1r78 n HIS 268 N -0.33 2.97 0.15 -1.77 8.25 -1.05 -4.93 115.22 118.51 1r78 n HIS 268 Ca 0.23 0.42 -0.14 0.00 -0.26 0.00 0.00 57.72 57.97 1r78 n HIS 268 Cb 0.96 -2.54 -0.08 0.00 1.12 0.00 0.00 29.99 29.45 1r78 n HIS 268 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1r78 h TYR 269 N 3.24 -0.30 -2.58 4.41 0.05 -1.92 -3.42 116.97 116.45 1r78 h TYR 269 Ca -0.50 -0.01 -0.56 0.00 0.05 0.00 0.00 58.73 57.71 1r78 h TYR 269 Cb 1.24 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 39.06 1r78 h TYR 269 CO 0.54 -0.12 1.21 0.34 -1.05 0.00 0.00 178.16 179.08 1r78 s ASP 270 N -4.99 6.23 0.51 3.88 -1.08 -1.26 -4.85 116.67 115.11 1r78 s ASP 270 Ca -0.15 1.81 0.22 0.00 -0.52 0.00 0.00 52.55 53.91 1r78 s ASP 270 Cb 0.04 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 40.29 1r78 s ASP 270 CO 0.63 -1.35 2.00 -0.65 0.52 0.00 0.00 175.17 176.31 1r78 h PRO 271 N 11.46 0.09 0.00 4.34 0.11 -1.95 -1.08 132.00 144.97 1r78 h PRO 271 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1r78 h PRO 271 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1r78 h PRO 271 CO 0.99 0.06 0.00 -0.91 -0.21 0.00 0.00 178.00 177.92 1r78 h ASN 272 N 0.09 0.00 0.00 -2.05 2.35 -1.95 -3.17 115.58 110.84 1r78 h ASN 272 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1r78 h ASN 272 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1r78 h ASN 272 CO -0.02 0.00 -1.70 0.29 -1.65 0.00 0.00 177.43 174.35 1r78 n LYS 273 N -2.45 0.63 -1.69 0.81 4.76 -0.52 -4.97 118.16 114.73 1r78 n LYS 273 Ca 0.04 -0.14 -0.44 0.00 -2.87 0.00 0.00 58.31 54.89 1r78 n LYS 273 Cb 0.39 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 1r78 n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1r78 n ARG 274 N -2.04 2.30 -1.75 1.97 0.63 -0.57 -4.92 116.66 112.28 1r78 n ARG 274 Ca -0.02 0.83 -0.39 0.00 -0.92 0.00 0.00 57.85 57.34 1r78 n ARG 274 Cb 0.46 -2.59 0.03 0.00 0.45 0.00 0.00 32.46 30.82 1r78 n ARG 274 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1r78 n ILE 275 N 3.00 3.41 -1.92 5.15 3.06 -0.68 -5.00 119.36 126.37 1r78 n ILE 275 Ca 0.14 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.59 1r78 n ILE 275 Cb 0.31 -1.75 0.02 0.00 0.54 0.00 0.00 39.64 38.77 1r78 n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1r78 s SER 276 N -0.72 5.99 0.17 9.51 1.04 -1.26 -4.89 113.70 123.53 1r78 s SER 276 Ca 0.67 1.29 -0.15 0.00 0.48 0.00 0.00 55.95 58.25 1r78 s SER 276 Cb -0.43 -2.28 0.05 0.00 0.10 0.00 0.00 66.02 63.46 1r78 s SER 276 CO 0.53 -1.00 1.83 0.00 0.98 0.00 0.00 173.24 175.58 1r78 h ALA 277 N -0.39 0.64 -0.39 5.32 0.00 -1.94 -1.30 119.26 121.21 1r78 h ALA 277 Ca -0.44 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1r78 h ALA 277 Cb 1.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1r78 h ALA 277 CO 0.62 0.09 0.17 -0.22 0.00 0.00 0.00 179.25 179.91 1r78 h LYS 278 N 0.68 0.33 -0.24 0.00 1.63 -1.93 -2.31 116.57 114.74 1r78 h LYS 278 Ca 0.18 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.83 1r78 h LYS 278 Cb -0.07 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1r78 h LYS 278 CO -0.04 0.22 -0.41 0.00 -3.45 0.00 0.00 179.45 175.77 1r78 h ALA 279 N 1.23 0.85 -0.53 5.00 0.00 -1.93 -2.95 119.26 120.93 1r78 h ALA 279 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1r78 h ALA 279 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1r78 h ALA 279 CO -0.15 0.64 0.35 0.00 0.00 0.00 0.00 179.25 180.09 1r78 h ALA 280 N 1.10 1.61 0.00 0.00 0.00 -0.93 -1.72 119.26 119.32 1r78 h ALA 280 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1r78 h ALA 280 Cb 0.91 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r78 h ALA 280 CO 0.08 0.35 -0.06 -0.07 0.00 0.00 0.00 179.25 179.55 1r78 h LEU 281 N 0.72 0.00 -1.55 0.00 3.38 -1.24 -1.74 115.31 114.87 1r78 h LEU 281 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1r78 h LEU 281 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1r78 h LEU 281 CO -0.04 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1r78 n ALA 282 N -2.25 2.48 -1.77 1.53 0.00 -0.65 -4.83 120.51 115.02 1r78 n ALA 282 Ca -0.02 -0.70 -0.40 0.00 0.00 0.00 0.00 53.44 52.33 1r78 n ALA 282 Cb 0.18 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 1r78 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1r78 s HIS 283 N -1.67 3.01 0.60 0.00 5.04 -0.66 -4.90 115.29 116.71 1r78 s HIS 283 Ca 0.34 1.46 0.28 0.00 -1.54 0.00 0.00 55.06 55.61 1r78 s HIS 283 Cb 0.19 -3.59 1.44 0.00 0.04 0.00 0.00 32.58 30.66 1r78 s HIS 283 CO 0.28 -1.73 1.85 -1.35 -2.34 0.00 0.00 174.74 171.44 1r78 h PRO 284 N 2.99 0.00 -0.88 2.88 0.11 -1.92 -0.33 132.00 134.85 1r78 h PRO 284 Ca -0.49 0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.85 1r78 h PRO 284 Cb 1.23 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1r78 h PRO 284 CO 0.64 0.00 0.61 0.35 -0.21 0.00 0.00 178.00 179.39 1r78 h PHE 285 N 0.00 0.25 -0.52 0.65 3.57 -1.91 -2.14 116.94 116.84 1r78 h PHE 285 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1r78 h PHE 285 Cb 1.22 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1r78 h PHE 285 CO 0.00 0.06 0.00 1.19 -2.23 0.00 0.00 178.31 177.33 1r78 n PHE 286 N -4.39 0.99 -0.21 0.41 3.72 -0.13 -4.44 117.46 113.41 1r78 n PHE 286 Ca 0.18 -0.43 -0.04 0.00 -0.05 0.00 0.00 57.45 57.12 1r78 n PHE 286 Cb 0.83 -0.12 0.07 0.00 -0.94 0.00 0.00 39.48 39.31 1r78 n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1r78 h GLN 287 N 3.20 0.69 -0.73 -1.08 5.75 -1.53 -2.93 115.11 118.48 1r78 h GLN 287 Ca 0.00 -0.04 -0.31 0.00 -0.15 0.00 0.00 58.65 58.15 1r78 h GLN 287 Cb 1.01 -0.15 -0.18 0.00 1.07 0.00 0.00 27.48 29.22 1r78 h GLN 287 CO 0.11 0.45 0.33 -0.40 -2.65 0.00 0.00 178.83 176.67 1r78 n ASP 288 N -4.76 3.87 -4.77 -0.69 5.75 -1.26 -5.01 116.55 109.68 1r78 n ASP 288 Ca 0.06 -3.47 -0.41 0.00 -0.01 0.00 0.00 54.79 50.96 1r78 n ASP 288 Cb 0.11 -0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 39.44 1r78 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1r78 s VAL 289 N -3.15 2.57 0.35 2.12 0.11 -1.11 -5.03 120.40 116.26 1r78 s VAL 289 Ca 0.53 0.56 0.05 0.00 -2.93 0.00 0.00 61.98 60.19 1r78 s VAL 289 Cb 0.44 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 1r78 s VAL 289 CO 0.09 0.13 0.20 0.42 -3.33 0.00 0.00 175.10 172.61 1r78 s THR 290 N -0.95 0.25 -0.67 5.04 -4.23 -1.26 -5.09 115.64 108.73 1r78 s THR 290 Ca 0.51 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1r78 s THR 290 Cb -0.41 -2.44 0.17 0.00 1.34 0.00 0.00 72.50 71.15 1r78 s THR 290 CO 0.53 0.00 0.47 -0.75 -0.54 0.00 0.00 174.62 174.33 1r78 s LYS 291 N -3.63 2.48 0.69 3.99 2.20 -1.26 -4.32 119.74 119.89 1r78 s LYS 291 Ca 0.34 -2.98 -0.14 0.00 -0.36 0.00 0.00 55.97 52.83 1r78 s LYS 291 Cb 0.03 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1r78 s LYS 291 CO 0.21 -1.21 1.10 -2.14 -0.36 0.00 0.00 175.35 172.95 1r78 s PRO 292 N -0.86 2.67 -0.08 4.03 0.02 -1.26 -5.01 135.00 134.51 1r78 s PRO 292 Ca 0.22 1.33 -0.12 0.00 0.02 0.00 0.00 61.00 62.44 1r78 s PRO 292 Cb -0.14 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1r78 s PRO 292 CO -0.09 -1.35 0.30 0.14 -0.33 0.00 0.00 177.00 175.68 1r78 s VAL 293 N -2.49 5.24 0.59 3.83 -7.23 -1.26 -4.58 120.40 114.50 1r78 s VAL 293 Ca 0.65 0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 61.30 1r78 s VAL 293 Cb -0.20 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 1r78 s VAL 293 CO 0.45 0.54 1.00 -2.16 -0.31 0.00 0.00 175.10 174.62 1r78 s PRO 294 N -0.65 3.64 -0.51 4.82 0.04 -1.26 -5.00 135.00 136.08 1r78 s PRO 294 Ca 0.19 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 61.77 1r78 s PRO 294 Cb -0.14 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.35 1r78 s PRO 294 CO 0.08 -0.49 0.56 -1.58 0.04 0.00 0.00 177.00 175.61 1r78 s HIS 295 N -3.06 3.11 -0.18 0.56 2.46 -1.26 -4.96 115.29 111.97 1r78 s HIS 295 Ca 0.55 -0.76 -0.07 0.00 0.47 0.00 0.00 55.06 55.25 1r78 s HIS 295 Cb -0.11 -3.51 -0.04 0.00 -0.13 0.00 0.00 32.58 28.79 1r78 s HIS 295 CO 0.50 -1.00 0.05 -0.51 -2.47 0.00 0.00 174.74 171.31 1r78 s LEU 296 N 2.28 3.72 -0.31 8.88 1.43 -1.26 -5.08 118.68 128.35 1r78 s LEU 296 Ca 0.11 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1r78 s LEU 296 Cb -0.22 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1r78 s LEU 296 CO 0.09 0.16 0.18 -0.60 0.23 0.00 0.00 176.35 176.42 1r78 s ARG 297 N 0.43 3.49 0.00 1.70 6.06 -1.26 -5.11 118.95 124.25 1r78 s ARG 297 Ca 0.02 -0.63 0.14 0.00 -2.50 0.00 0.00 55.73 52.77 1r78 s ARG 297 Cb -0.13 -3.65 0.11 0.00 0.06 0.00 0.00 34.95 31.35 1r78 s ARG 297 CO 0.01 -0.38 0.95 1.28 -2.50 0.00 0.00 175.30 174.66