#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i78 s ILE 12 N 0.00 1.39 -0.00 -1.44 1.01 -1.26 -0.85 121.20 120.05 1i78 s ILE 12 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 60.65 58.89 1i78 s ILE 12 Cb 0.00 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1i78 s ILE 12 CO 0.00 -0.30 0.32 0.54 0.00 0.00 0.00 174.94 175.50 1i78 s ASN 13 N -2.21 -0.20 0.02 3.58 2.20 -0.29 -0.76 114.94 117.29 1i78 s ASN 13 Ca 0.07 0.05 0.08 0.00 -0.94 0.00 0.00 52.86 52.12 1i78 s ASN 13 Cb -0.07 0.33 -0.02 0.00 -2.00 0.00 0.00 41.25 39.49 1i78 s ASN 13 CO 0.03 -0.49 -0.23 0.00 -2.94 0.00 0.00 177.10 173.47 1i78 s ALA 14 N -1.60 1.97 -0.13 3.54 0.00 0.27 -1.40 121.76 124.41 1i78 s ALA 14 Ca -0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 1i78 s ALA 14 Cb -0.04 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.68 1i78 s ALA 14 CO 0.03 0.47 -0.06 0.34 0.00 0.00 0.00 175.76 176.54 1i78 s ASP 15 N -0.99 2.43 -0.09 0.00 -1.08 0.33 -1.28 116.67 115.99 1i78 s ASP 15 Ca 0.09 -0.45 0.05 0.00 -0.52 0.00 0.00 52.55 51.72 1i78 s ASP 15 Cb -0.09 -0.83 -0.00 0.00 -1.46 0.00 0.00 42.92 40.54 1i78 s ASP 15 CO 0.01 -0.16 -0.24 -0.63 0.52 0.00 0.00 175.17 174.67 1i78 s ILE 16 N 1.70 2.02 0.09 4.11 1.01 -0.92 -0.38 121.20 128.84 1i78 s ILE 16 Ca 0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 1i78 s ILE 16 Cb -0.14 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1i78 s ILE 16 CO -0.08 0.56 0.10 -0.94 0.00 0.00 0.00 174.94 174.57 1i78 s SER 17 N 0.19 0.28 0.04 3.58 1.04 0.11 -1.08 113.70 117.86 1i78 s SER 17 Ca -0.14 -0.92 0.05 0.00 0.48 0.00 0.00 55.95 55.43 1i78 s SER 17 Cb -0.17 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1i78 s SER 17 CO 0.07 -0.71 -0.16 -0.76 0.98 0.00 0.00 173.24 172.67 1i78 s LEU 18 N -2.93 2.16 0.00 2.42 1.43 -0.32 -0.56 118.68 120.87 1i78 s LEU 18 Ca 0.11 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1i78 s LEU 18 Cb 0.06 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1i78 s LEU 18 CO -0.07 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1i78 n GLY 19 N 1.97 -0.81 3.46 -3.19 0.00 -1.01 -1.32 105.19 104.29 1i78 n GLY 19 Ca -0.17 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1i78 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i78 s THR 20 N -3.00 2.42 -0.08 2.61 -4.23 -0.35 -0.99 115.64 112.02 1i78 s THR 20 Ca 0.00 -2.39 0.01 0.00 -1.18 0.00 0.00 61.69 58.14 1i78 s THR 20 Cb 0.00 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.58 1i78 s THR 20 CO 0.00 -0.41 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.36 1i78 s LEU 21 N -3.47 1.42 -0.03 4.79 2.96 0.45 -2.15 118.68 122.65 1i78 s LEU 21 Ca 0.29 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1i78 s LEU 21 Cb -0.05 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.88 1i78 s LEU 21 CO 0.14 -0.03 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.59 1i78 s SER 22 N 1.06 1.47 0.14 3.68 0.01 -0.34 -0.90 113.70 118.83 1i78 s SER 22 Ca -0.07 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 1i78 s SER 22 Cb -0.14 -0.36 0.02 0.00 0.21 0.00 0.00 66.02 65.74 1i78 s SER 22 CO -0.01 0.10 0.27 0.61 0.41 0.00 0.00 173.24 174.62 1i78 n GLY 23 N 3.18 1.92 3.50 3.44 0.00 -0.74 0.74 105.19 117.23 1i78 n GLY 23 Ca -0.18 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 1i78 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i78 s LYS 24 N -2.11 0.74 -0.01 1.61 2.20 -0.36 -2.46 119.74 119.37 1i78 s LYS 24 Ca 0.07 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 1i78 s LYS 24 Cb -0.01 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1i78 s LYS 24 CO 0.05 -0.11 0.00 -0.08 -0.36 0.00 0.00 175.35 174.85 1i78 s THR 25 N 0.10 0.02 -0.15 3.43 -1.32 0.08 -1.10 115.64 116.69 1i78 s THR 25 Ca -0.02 0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.48 1i78 s THR 25 Cb -0.04 -0.06 -0.02 0.00 -1.51 0.00 0.00 72.50 70.87 1i78 s THR 25 CO 0.02 0.03 -0.06 -0.54 -2.21 0.00 0.00 174.62 171.86 1i78 s LYS 26 N 0.29 3.56 -0.19 7.08 1.02 0.14 -1.44 119.74 130.21 1i78 s LYS 26 Ca -0.02 -0.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.36 1i78 s LYS 26 Cb -0.04 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1i78 s LYS 26 CO -0.01 0.19 -0.05 -2.00 -0.92 0.00 0.00 175.35 172.56 1i78 s GLU 27 N 0.47 3.45 0.18 1.68 2.12 -0.54 -2.13 118.70 123.92 1i78 s GLU 27 Ca -0.05 -0.61 0.06 0.00 0.36 0.00 0.00 54.97 54.73 1i78 s GLU 27 Cb -0.15 -2.94 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 1i78 s GLU 27 CO 0.03 -0.03 -0.12 1.03 -0.54 0.00 0.00 175.26 175.63 1i78 s ARG 28 N 1.05 1.22 -0.03 4.30 0.52 -0.22 -0.17 118.95 125.63 1i78 s ARG 28 Ca 0.01 -1.54 0.04 0.00 -0.52 0.00 0.00 55.73 53.73 1i78 s ARG 28 Cb -0.15 -0.90 -0.01 0.00 0.52 0.00 0.00 34.95 34.42 1i78 s ARG 28 CO -0.00 0.13 -0.16 0.08 0.02 0.00 0.00 175.30 175.37 1i78 s VAL 29 N -3.13 1.33 0.21 3.52 1.01 0.58 -0.64 120.40 123.27 1i78 s VAL 29 Ca 0.20 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1i78 s VAL 29 Cb 0.01 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1i78 s VAL 29 CO 0.04 0.38 -0.17 -0.31 0.00 0.00 0.00 175.10 175.04 1i78 s TYR 30 N -0.08 1.90 -0.43 5.22 1.51 0.35 -0.91 117.35 124.91 1i78 s TYR 30 Ca -0.01 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.50 1i78 s TYR 30 Cb -0.10 -0.88 0.10 0.00 -0.11 0.00 0.00 41.96 40.97 1i78 s TYR 30 CO 0.01 0.44 0.27 -0.51 -1.11 0.00 0.00 175.55 174.65 1i78 s LEU 31 N -3.16 5.33 0.07 -1.29 1.02 0.05 -4.58 118.68 116.12 1i78 s LEU 31 Ca 0.22 -1.75 -0.33 0.00 0.02 0.00 0.00 54.13 52.30 1i78 s LEU 31 Cb -0.03 -1.96 -0.16 0.00 0.02 0.00 0.00 46.19 44.06 1i78 s LEU 31 CO 0.09 -0.59 1.51 0.00 0.02 0.00 0.00 176.35 177.38 1i78 h ALA 32 N 8.34 -1.17 0.00 4.21 0.00 -1.84 0.83 119.26 129.63 1i78 h ALA 32 Ca -0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1i78 h ALA 32 Cb 1.07 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1i78 h ALA 32 CO 0.78 -1.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.01 1i78 n GLU 33 N -5.26 0.00 -2.60 0.00 0.00 -1.26 -2.48 120.64 109.04 1i78 n GLU 33 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.92 1i78 n GLU 33 Cb 0.44 -1.40 0.03 0.00 0.00 0.00 0.00 31.44 30.50 1i78 n GLU 33 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1i78 n GLU 34 N -0.88 2.01 -1.07 3.44 2.13 -0.47 -4.94 120.64 120.86 1i78 n GLU 34 Ca 0.00 -3.67 -0.03 0.00 0.66 0.00 0.00 57.16 54.13 1i78 n GLU 34 Cb 0.00 -1.64 -0.01 0.00 0.27 0.00 0.00 31.44 30.05 1i78 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i78 n GLY 35 N -0.34 0.54 2.43 8.31 0.00 -1.04 -3.25 105.19 111.84 1i78 n GLY 35 Ca 0.18 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1i78 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i78 n GLY 36 N -1.77 0.57 3.78 -0.02 0.00 0.28 -4.98 105.19 103.06 1i78 n GLY 36 Ca -0.03 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1i78 n GLY 36 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i78 s ARG 37 N -4.31 2.87 -0.13 1.61 1.70 -1.20 -4.37 118.95 115.12 1i78 s ARG 37 Ca 0.00 1.25 -0.29 0.00 -0.47 0.00 0.00 55.73 56.22 1i78 s ARG 37 Cb 0.00 -1.97 -0.02 0.00 -0.57 0.00 0.00 34.95 32.39 1i78 s ARG 37 CO 0.00 -1.18 1.22 0.21 -1.08 0.00 0.00 175.30 174.47 1i78 s LYS 38 N -4.33 4.28 -0.04 3.89 2.20 -1.26 -0.77 119.74 123.71 1i78 s LYS 38 Ca 0.64 1.63 0.10 0.00 -0.36 0.00 0.00 55.97 57.98 1i78 s LYS 38 Cb -0.18 -3.68 -0.15 0.00 -1.51 0.00 0.00 37.83 32.31 1i78 s LYS 38 CO 0.44 -0.60 0.16 1.33 -0.36 0.00 0.00 175.35 176.32 1i78 n VAL 39 N 5.10 0.22 -3.75 4.02 0.24 -0.09 -4.64 118.33 119.43 1i78 n VAL 39 Ca 0.13 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 1i78 n VAL 39 Cb 0.45 -0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 1i78 n VAL 39 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1i78 s SER 40 N -3.51 -0.34 -0.06 -1.34 0.01 -1.12 -1.56 113.70 105.78 1i78 s SER 40 Ca -0.04 0.65 -0.02 0.00 1.31 0.00 0.00 55.95 57.85 1i78 s SER 40 Cb 0.05 0.64 0.04 0.00 0.21 0.00 0.00 66.02 66.96 1i78 s SER 40 CO 0.41 -0.12 0.12 -1.58 0.41 0.00 0.00 173.24 172.48 1i78 s GLN 41 N 0.37 0.03 -0.21 12.44 0.74 -0.89 -0.31 119.66 131.82 1i78 s GLN 41 Ca -0.02 0.40 -0.00 0.00 0.05 0.00 0.00 55.36 55.79 1i78 s GLN 41 Cb -0.03 -0.26 0.02 0.00 1.10 0.00 0.00 33.01 33.83 1i78 s GLN 41 CO -0.01 -0.23 -0.13 -0.51 -0.55 0.00 0.00 175.29 173.86 1i78 s LEU 42 N 1.62 2.67 -0.43 3.68 1.43 0.76 -1.45 118.68 126.96 1i78 s LEU 42 Ca -0.04 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 1i78 s LEU 42 Cb -0.12 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.56 1i78 s LEU 42 CO -0.05 -0.05 0.34 -1.81 0.23 0.00 0.00 176.35 175.00 1i78 s ASP 43 N 1.32 6.12 -0.26 2.29 -0.00 -0.59 -1.47 116.67 124.07 1i78 s ASP 43 Ca 0.03 -1.06 -0.11 0.00 -0.00 0.00 0.00 52.55 51.41 1i78 s ASP 43 Cb -0.15 -2.17 -0.05 0.00 -0.00 0.00 0.00 42.92 40.56 1i78 s ASP 43 CO -0.08 -0.52 0.17 0.26 -0.00 0.00 0.00 175.17 174.99 1i78 s TRP 44 N 1.66 3.24 0.20 4.23 0.52 -0.52 -2.31 118.94 125.96 1i78 s TRP 44 Ca 0.05 0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.30 1i78 s TRP 44 Cb -0.21 -2.33 -0.05 0.00 -1.15 0.00 0.00 33.47 29.73 1i78 s TRP 44 CO 0.09 -0.11 0.01 -1.59 0.02 0.00 0.00 176.95 175.37 1i78 s LYS 45 N 1.53 1.22 -0.21 4.98 -2.85 -0.85 -0.74 119.74 122.82 1i78 s LYS 45 Ca 0.07 -1.61 -0.30 0.00 -1.00 0.00 0.00 55.97 53.14 1i78 s LYS 45 Cb -0.15 -0.37 0.15 0.00 -2.06 0.00 0.00 37.83 35.40 1i78 s LYS 45 CO 0.08 -0.14 1.13 -0.59 0.10 0.00 0.00 175.35 175.93 1i78 s PHE 46 N -3.60 -0.26 0.10 1.78 -0.12 -1.03 -1.09 117.98 113.76 1i78 s PHE 46 Ca 0.27 0.45 0.07 0.00 -0.05 0.00 0.00 56.93 57.67 1i78 s PHE 46 Cb 0.06 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1i78 s PHE 46 CO 0.07 -0.23 -0.18 -0.80 -0.05 0.00 0.00 175.22 174.02 1i78 s ASN 47 N -1.01 2.28 -1.46 1.98 -0.87 -1.26 -1.79 114.94 112.81 1i78 s ASN 47 Ca 0.02 -0.69 -0.00 0.00 -1.57 0.00 0.00 52.86 50.62 1i78 s ASN 47 Cb -0.01 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 1i78 s ASN 47 CO -0.02 0.00 0.26 0.59 -2.57 0.00 0.00 177.10 175.36 1i78 n ASN 48 N 1.03 0.17 -4.75 -1.22 3.02 -1.11 -4.91 115.26 107.49 1i78 n ASN 48 Ca -0.19 -1.11 -0.40 0.00 -0.03 0.00 0.00 54.58 52.84 1i78 n ASN 48 Cb 0.54 -2.49 -0.05 0.00 -0.61 0.00 0.00 39.78 37.18 1i78 n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i78 s ALA 49 N -4.12 3.38 0.27 5.41 0.00 -0.08 -4.71 121.76 121.91 1i78 s ALA 49 Ca 0.01 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1i78 s ALA 49 Cb -0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1i78 s ALA 49 CO 0.93 -0.08 0.98 0.00 0.00 0.00 0.00 175.76 177.59 1i78 s ALA 50 N -0.87 3.33 0.16 0.00 0.00 -1.26 -0.41 121.76 122.71 1i78 s ALA 50 Ca 0.45 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 1i78 s ALA 50 Cb -0.30 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1i78 s ALA 50 CO 0.37 0.11 0.16 0.96 0.00 0.00 0.00 175.76 177.36 1i78 s ILE 51 N -1.25 0.06 -0.01 0.00 -4.36 -0.16 0.91 121.20 116.39 1i78 s ILE 51 Ca 0.44 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 59.08 1i78 s ILE 51 Cb -0.26 -2.12 -0.01 0.00 1.25 0.00 0.00 42.46 41.32 1i78 s ILE 51 CO 0.33 -0.27 -0.08 -0.51 0.24 0.00 0.00 174.94 174.64 1i78 s ILE 52 N -4.05 0.65 0.03 8.37 2.07 -0.79 -2.40 121.20 125.08 1i78 s ILE 52 Ca 0.26 -0.37 0.07 0.00 -1.41 0.00 0.00 60.65 59.20 1i78 s ILE 52 Cb 0.06 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 1i78 s ILE 52 CO 0.04 0.17 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.52 1i78 s LYS 53 N -0.22 1.33 0.03 3.50 1.02 0.27 -1.93 119.74 123.74 1i78 s LYS 53 Ca 0.03 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1i78 s LYS 53 Cb -0.03 -1.40 -0.02 0.00 -0.52 0.00 0.00 37.83 35.86 1i78 s LYS 53 CO -0.00 0.36 -0.10 0.20 -0.92 0.00 0.00 175.35 174.89 1i78 s GLY 54 N -1.05 0.56 -0.20 -3.33 0.00 -0.23 -0.71 107.32 102.36 1i78 s GLY 54 Ca 0.06 -0.65 -0.18 0.00 0.00 0.00 0.00 44.72 43.96 1i78 s GLY 54 CO 0.01 -0.64 0.52 0.00 0.00 0.00 0.00 173.10 172.99 1i78 s ALA 55 N -0.82 -1.29 -0.06 3.20 0.00 0.48 -1.36 121.76 121.90 1i78 s ALA 55 Ca -0.02 1.50 0.03 0.00 0.00 0.00 0.00 51.96 53.47 1i78 s ALA 55 Cb -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.18 1i78 s ALA 55 CO 0.01 -0.25 -0.15 0.42 0.00 0.00 0.00 175.76 175.79 1i78 s ILE 56 N 0.36 1.30 0.09 0.00 1.01 0.38 0.12 121.20 124.46 1i78 s ILE 56 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.11 1i78 s ILE 56 Cb -0.04 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1i78 s ILE 56 CO -0.00 0.39 -0.16 0.20 0.00 0.00 0.00 174.94 175.36 1i78 s ASN 57 N 0.41 1.97 -0.17 3.58 -0.87 -0.49 -1.06 114.94 118.31 1i78 s ASN 57 Ca -0.11 -0.67 -0.15 0.00 -1.57 0.00 0.00 52.86 50.35 1i78 s ASN 57 Cb -0.14 -0.08 0.05 0.00 -0.02 0.00 0.00 41.25 41.06 1i78 s ASN 57 CO 0.04 -0.05 0.46 -1.66 -2.57 0.00 0.00 177.10 173.31 1i78 s TRP 58 N -1.42 -0.53 -0.45 2.20 -2.14 -0.78 -1.13 118.94 114.69 1i78 s TRP 58 Ca 0.02 1.26 -0.24 0.00 2.66 0.00 0.00 56.10 59.80 1i78 s TRP 58 Cb -0.09 0.19 0.03 0.00 -3.10 0.00 0.00 33.47 30.50 1i78 s TRP 58 CO 0.03 -0.26 0.82 -0.51 -2.66 0.00 0.00 176.95 174.37 1i78 s ASP 59 N 0.39 6.44 0.04 -2.66 1.11 -0.03 -1.91 116.67 120.04 1i78 s ASP 59 Ca -0.01 -0.05 -0.12 0.00 0.18 0.00 0.00 52.55 52.55 1i78 s ASP 59 Cb -0.04 -2.40 -0.33 0.00 1.07 0.00 0.00 42.92 41.22 1i78 s ASP 59 CO -0.01 -0.94 1.03 -0.07 1.18 0.00 0.00 175.17 176.35 1i78 h LEU 60 N 10.23 0.72 -8.56 1.23 3.38 -1.79 -3.37 115.31 117.14 1i78 h LEU 60 Ca -0.25 -0.78 -0.23 0.00 0.09 0.00 0.00 57.88 56.72 1i78 h LEU 60 Cb 1.08 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 1i78 h LEU 60 CO 0.98 1.61 -0.54 -0.04 0.09 0.00 0.00 178.44 180.54 1i78 s MET 61 N -2.62 1.29 0.46 1.13 -1.94 -1.05 -5.00 119.30 111.58 1i78 s MET 61 Ca -0.08 -1.61 0.22 0.00 -1.71 0.00 0.00 55.69 52.51 1i78 s MET 61 Cb 0.05 0.30 1.14 0.00 2.01 0.00 0.00 34.83 38.33 1i78 s MET 61 CO 0.93 -0.45 1.96 -1.35 -0.01 0.00 0.00 175.02 176.11 1i78 h PRO 62 N 2.53 0.00 -0.02 2.03 0.11 -2.02 -2.95 132.00 131.68 1i78 h PRO 62 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1i78 h PRO 62 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1i78 h PRO 62 CO 0.49 0.21 -0.33 1.04 -0.21 0.00 0.00 178.00 179.20 1i78 n GLN 63 N -3.79 1.53 -4.03 1.05 3.00 -1.26 -4.85 117.38 109.03 1i78 n GLN 63 Ca -0.02 -1.19 -0.16 0.00 -0.01 0.00 0.00 57.00 55.62 1i78 n GLN 63 Cb 0.31 -1.43 -0.15 0.00 0.00 0.00 0.00 30.24 28.96 1i78 n GLN 63 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1i78 s ILE 64 N -2.22 0.28 0.07 5.09 1.01 -1.11 -0.44 121.20 123.88 1i78 s ILE 64 Ca 0.20 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.84 1i78 s ILE 64 Cb 0.17 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 1i78 s ILE 64 CO 0.47 0.13 -0.13 -0.44 0.00 0.00 0.00 174.94 174.97 1i78 s SER 65 N 0.53 1.56 0.05 3.58 0.01 -0.35 -2.27 113.70 116.81 1i78 s SER 65 Ca -0.06 -0.62 0.09 0.00 1.31 0.00 0.00 55.95 56.68 1i78 s SER 65 Cb -0.09 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 1i78 s SER 65 CO -0.01 -0.10 -0.26 -0.63 0.41 0.00 0.00 173.24 172.65 1i78 s ILE 66 N -1.34 2.13 -0.02 1.44 1.01 -0.80 0.39 121.20 124.00 1i78 s ILE 66 Ca -0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 60.65 59.17 1i78 s ILE 66 Cb -0.10 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1i78 s ILE 66 CO 0.02 0.34 0.09 -0.83 0.00 0.00 0.00 174.94 174.56 1i78 s GLY 67 N -1.29 0.01 -0.07 6.18 0.00 -0.44 -1.86 107.32 109.85 1i78 s GLY 67 Ca 0.12 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.87 1i78 s GLY 67 CO 0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 173.10 172.94 1i78 s ALA 68 N -0.61 1.31 0.21 3.20 0.00 -0.22 -1.39 121.76 124.27 1i78 s ALA 68 Ca -0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 1i78 s ALA 68 Cb -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1i78 s ALA 68 CO 0.00 0.08 0.21 0.00 0.00 0.00 0.00 175.76 176.05 1i78 s ALA 69 N 0.73 0.88 0.00 0.00 0.00 0.19 -0.47 121.76 123.09 1i78 s ALA 69 Ca -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1i78 s ALA 69 Cb -0.16 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.29 1i78 s ALA 69 CO 0.03 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1i78 n GLY 70 N -0.30 1.57 3.11 0.00 0.00 -0.46 0.13 105.19 109.23 1i78 n GLY 70 Ca 0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1i78 n GLY 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1i78 s TRP 71 N -2.00 0.65 -0.11 1.61 1.48 -0.44 -1.07 118.94 119.06 1i78 s TRP 71 Ca 0.00 -1.12 -0.13 0.00 -1.06 0.00 0.00 56.10 53.79 1i78 s TRP 71 Cb 0.00 -0.43 0.03 0.00 -1.16 0.00 0.00 33.47 31.92 1i78 s TRP 71 CO 0.00 -0.42 0.35 -0.08 -4.06 0.00 0.00 176.95 172.75 1i78 s THR 72 N -3.95 0.01 0.66 0.66 -1.32 -0.81 -1.66 115.64 109.23 1i78 s THR 72 Ca 0.13 -0.09 -0.17 0.00 -1.21 0.00 0.00 61.69 60.35 1i78 s THR 72 Cb 0.08 -0.53 -0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1i78 s THR 72 CO -0.06 -0.05 1.22 0.42 -2.21 0.00 0.00 174.62 173.94 1i78 s THR 73 N -0.10 2.44 -2.35 5.08 -4.23 -0.19 -1.88 115.64 114.41 1i78 s THR 73 Ca -0.03 0.25 0.22 0.00 -1.18 0.00 0.00 61.69 60.95 1i78 s THR 73 Cb -0.03 -2.96 0.45 0.00 1.34 0.00 0.00 72.50 71.30 1i78 s THR 73 CO 0.01 -0.09 1.44 0.18 -0.54 0.00 0.00 174.62 175.63 1i78 n LEU 74 N -2.13 3.02 0.00 4.79 4.77 0.26 -4.85 117.00 122.86 1i78 n LEU 74 Ca 0.14 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1i78 n LEU 74 Cb 0.50 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1i78 n LEU 74 CO 0.46 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1i78 n GLY 75 N 1.42 2.31 3.60 -0.72 0.00 -1.26 -5.04 105.19 105.50 1i78 n GLY 75 Ca 0.19 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 1i78 n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i78 n SER 76 N 0.00 0.62 -3.89 1.61 2.88 -1.24 -4.74 113.62 108.86 1i78 n SER 76 Ca 0.00 0.79 -0.12 0.00 -1.33 0.00 0.00 58.87 58.21 1i78 n SER 76 Cb 0.00 -1.37 -0.14 0.00 -0.75 0.00 0.00 64.21 61.95 1i78 n SER 76 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1i78 s ARG 77 N -2.73 0.07 0.18 -1.46 6.06 0.17 -4.96 118.95 116.27 1i78 s ARG 77 Ca 0.76 -0.06 -0.30 0.00 -2.50 0.00 0.00 55.73 53.62 1i78 s ARG 77 Cb -0.42 -0.04 -0.09 0.00 0.06 0.00 0.00 34.95 34.47 1i78 s ARG 77 CO 0.47 0.01 1.33 0.20 -2.50 0.00 0.00 175.30 174.81 1i78 s GLY 78 N -0.12 2.35 0.00 8.12 0.00 -1.26 -0.26 107.32 116.15 1i78 s GLY 78 Ca -0.01 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1i78 s GLY 78 CO -0.00 2.13 0.00 0.61 0.00 0.00 0.00 173.10 175.84 1i78 n GLY 79 N 2.62 5.27 3.16 0.20 0.00 0.70 -4.41 105.19 112.72 1i78 n GLY 79 Ca 0.07 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 1i78 n GLY 79 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i78 s ASN 80 N 1.00 0.54 -0.26 1.61 2.47 -0.25 -4.06 114.94 115.98 1i78 s ASN 80 Ca 0.00 -1.17 -0.11 0.00 0.42 0.00 0.00 52.86 52.01 1i78 s ASN 80 Cb 0.00 0.24 0.10 0.00 -1.45 0.00 0.00 41.25 40.15 1i78 s ASN 80 CO 0.00 -0.67 0.59 -0.32 -3.72 0.00 0.00 177.10 172.98 1i78 s MET 81 N -4.00 0.54 -0.08 0.43 -2.45 -1.08 -2.00 119.30 110.67 1i78 s MET 81 Ca 0.21 1.26 0.05 0.00 -1.25 0.00 0.00 55.69 55.96 1i78 s MET 81 Cb 0.07 0.51 -0.01 0.00 1.25 0.00 0.00 34.83 36.66 1i78 s MET 81 CO 0.00 -0.19 -0.24 0.08 1.05 0.00 0.00 175.02 175.72 1i78 s VAL 82 N 2.41 2.14 -0.24 10.11 1.01 -0.98 0.20 120.40 135.04 1i78 s VAL 82 Ca -0.06 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1i78 s VAL 82 Cb -0.10 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1i78 s VAL 82 CO -0.17 0.56 -0.10 -0.62 0.00 0.00 0.00 175.10 174.77 1i78 s ASP 83 N 0.03 4.12 0.19 3.32 -1.08 0.36 -1.54 116.67 122.06 1i78 s ASP 83 Ca -0.09 -0.99 0.09 0.00 -0.52 0.00 0.00 52.55 51.04 1i78 s ASP 83 Cb -0.15 -1.59 -0.04 0.00 -1.46 0.00 0.00 42.92 39.67 1i78 s ASP 83 CO 0.06 -0.12 -0.07 -1.10 0.52 0.00 0.00 175.17 174.46 1i78 s GLN 84 N 1.25 2.16 0.08 4.34 -0.21 -0.53 -1.04 119.66 125.72 1i78 s GLN 84 Ca -0.02 -1.24 0.03 0.00 0.02 0.00 0.00 55.36 54.15 1i78 s GLN 84 Cb -0.17 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.60 1i78 s GLN 84 CO -0.06 0.43 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.95 1i78 s ASP 85 N -2.92 1.18 -0.46 5.90 1.11 0.15 -2.10 116.67 119.53 1i78 s ASP 85 Ca 0.26 -0.79 0.07 0.00 0.18 0.00 0.00 52.55 52.27 1i78 s ASP 85 Cb -0.09 0.04 0.23 0.00 1.07 0.00 0.00 42.92 44.18 1i78 s ASP 85 CO 0.16 -0.30 0.54 0.79 1.18 0.00 0.00 175.17 177.54 1i78 n TRP 86 N 0.67 0.48 1.14 4.23 8.01 -0.60 -1.52 117.44 129.85 1i78 n TRP 86 Ca -0.17 -3.67 0.14 0.00 -1.31 0.00 0.00 57.50 52.49 1i78 n TRP 86 Cb 0.58 -0.31 0.66 0.00 -2.01 0.00 0.00 31.31 30.23 1i78 n TRP 86 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1i78 n MET 87 N 1.53 0.14 -2.76 -0.99 2.81 -1.26 -4.62 117.12 111.97 1i78 n MET 87 Ca 0.24 -0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.70 1i78 n MET 87 Cb 0.49 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.49 1i78 n MET 87 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1i78 s ASP 88 N -2.86 6.75 0.21 7.83 2.15 -1.26 -4.81 116.67 124.68 1i78 s ASP 88 Ca 0.19 -2.20 0.08 0.00 0.43 0.00 0.00 52.55 51.04 1i78 s ASP 88 Cb 0.19 -2.48 0.43 0.00 -0.30 0.00 0.00 42.92 40.77 1i78 s ASP 88 CO 0.51 -1.13 1.09 -0.24 -0.17 0.00 0.00 175.17 175.24 1i78 n SER 89 N 7.33 0.21 -0.90 -0.34 2.88 -1.26 0.84 113.62 122.37 1i78 n SER 89 Ca 0.35 0.45 0.09 0.00 -1.33 0.00 0.00 58.87 58.43 1i78 n SER 89 Cb 0.47 -0.40 0.16 0.00 -0.75 0.00 0.00 64.21 63.70 1i78 n SER 89 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1i78 n SER 90 N -1.77 3.03 -2.74 -3.46 2.88 -1.26 -4.71 113.62 105.58 1i78 n SER 90 Ca -0.01 -1.88 -0.06 0.00 -1.33 0.00 0.00 58.87 55.59 1i78 n SER 90 Cb 0.31 -0.19 0.04 0.00 -0.75 0.00 0.00 64.21 63.61 1i78 n SER 90 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1i78 n ASN 91 N 1.11 -2.93 -4.80 -3.46 2.85 0.25 -5.15 115.26 103.13 1i78 n ASN 91 Ca 0.15 -2.92 -0.30 0.00 -0.11 0.00 0.00 54.58 51.40 1i78 n ASN 91 Cb 0.50 1.67 0.08 0.00 1.24 0.00 0.00 39.78 43.27 1i78 n ASN 91 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 1i78 s PRO 92 N 0.74 2.27 0.00 1.20 0.02 -1.22 -4.03 135.00 133.99 1i78 s PRO 92 Ca 0.30 0.79 0.00 0.00 0.02 0.00 0.00 61.00 62.12 1i78 s PRO 92 Cb 0.13 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1i78 s PRO 92 CO -0.15 -1.53 0.00 0.41 -0.33 0.00 0.00 177.00 175.40 1i78 n GLY 93 N -1.90 2.83 3.68 0.52 0.00 -1.26 -4.99 105.19 104.06 1i78 n GLY 93 Ca 0.07 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1i78 n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i78 s THR 94 N 0.00 4.99 0.26 2.61 -4.23 -1.26 -5.03 115.64 112.98 1i78 s THR 94 Ca 0.00 1.38 -0.29 0.00 -1.18 0.00 0.00 61.69 61.60 1i78 s THR 94 Cb 0.00 -4.02 -0.09 0.00 1.34 0.00 0.00 72.50 69.72 1i78 s THR 94 CO 0.00 0.12 0.95 -1.66 -0.54 0.00 0.00 174.62 173.50 1i78 s TRP 95 N 1.69 3.88 -0.04 3.99 1.48 -1.26 -4.81 118.94 123.87 1i78 s TRP 95 Ca 0.34 1.87 0.22 0.00 -1.06 0.00 0.00 56.10 57.46 1i78 s TRP 95 Cb -0.16 -2.99 -0.33 0.00 -1.16 0.00 0.00 33.47 28.82 1i78 s TRP 95 CO 0.13 0.32 0.48 0.25 -4.06 0.00 0.00 176.95 174.06 1i78 n THR 96 N 1.23 0.00 -3.78 0.66 -2.24 -0.58 -4.96 114.28 104.61 1i78 n THR 96 Ca -0.01 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1i78 n THR 96 Cb 0.48 0.02 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 1i78 n THR 96 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1i78 s ASP 97 N -4.45 0.03 0.02 3.42 1.11 -1.17 -2.96 116.67 112.68 1i78 s ASP 97 Ca -0.08 0.07 0.02 0.00 0.18 0.00 0.00 52.55 52.74 1i78 s ASP 97 Cb 0.14 -0.02 -0.02 0.00 1.07 0.00 0.00 42.92 44.09 1i78 s ASP 97 CO 0.89 -0.11 -0.07 -0.70 1.18 0.00 0.00 175.17 176.37 1i78 s GLU 98 N 0.90 0.47 -0.09 8.23 2.12 -0.93 0.29 118.70 129.71 1i78 s GLU 98 Ca -0.07 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 54.70 1i78 s GLU 98 Cb -0.11 -0.32 0.05 0.00 0.26 0.00 0.00 34.13 34.01 1i78 s GLU 98 CO -0.03 0.07 0.17 0.00 -0.54 0.00 0.00 175.26 174.94 1i78 s ALA 99 N -0.87 -0.27 -0.18 6.30 0.00 -0.20 -0.80 121.76 125.74 1i78 s ALA 99 Ca -0.05 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.52 1i78 s ALA 99 Cb -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1i78 s ALA 99 CO 0.00 -0.42 0.02 1.03 0.00 0.00 0.00 175.76 176.39 1i78 s ARG 100 N 1.89 3.80 -0.69 0.00 0.52 -0.07 -0.49 118.95 123.90 1i78 s ARG 100 Ca -0.02 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1i78 s ARG 100 Cb -0.12 -3.08 0.17 0.00 0.52 0.00 0.00 34.95 32.44 1i78 s ARG 100 CO -0.06 0.21 0.49 -1.01 0.02 0.00 0.00 175.30 174.94 1i78 s HIS 101 N 0.51 3.52 0.40 -0.53 3.76 0.13 -1.60 115.29 121.47 1i78 s HIS 101 Ca 0.00 -3.13 0.19 0.00 -0.15 0.00 0.00 55.06 51.97 1i78 s HIS 101 Cb -0.13 -2.93 1.08 0.00 1.11 0.00 0.00 32.58 31.71 1i78 s HIS 101 CO 0.02 -0.68 1.96 -1.35 -0.85 0.00 0.00 174.74 173.84 1i78 h PRO 102 N 6.06 0.00 -3.77 8.40 0.11 -1.86 -2.86 132.00 138.08 1i78 h PRO 102 Ca 0.07 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.44 1i78 h PRO 102 Cb 0.83 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.84 1i78 h PRO 102 CO 0.74 0.22 2.54 -3.47 -0.21 0.00 0.00 178.00 177.82 1i78 n ASP 103 N -3.95 4.52 -4.10 -2.05 2.03 -1.26 -4.72 116.55 107.02 1i78 n ASP 103 Ca -0.02 -2.98 -0.19 0.00 0.52 0.00 0.00 54.79 52.12 1i78 n ASP 103 Cb 0.30 -1.57 -0.13 0.00 -0.72 0.00 0.00 41.12 39.00 1i78 n ASP 103 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1i78 s THR 104 N 1.74 0.91 0.02 5.18 2.01 -1.24 -0.88 115.64 123.38 1i78 s THR 104 Ca 0.43 -0.82 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1i78 s THR 104 Cb 0.12 -0.83 0.01 0.00 0.01 0.00 0.00 72.50 71.81 1i78 s THR 104 CO -0.04 0.02 0.22 0.00 -0.69 0.00 0.00 174.62 174.13 1i78 s GLN 105 N -0.91 0.64 -0.47 4.92 -2.07 -0.39 -0.22 119.66 121.17 1i78 s GLN 105 Ca 0.01 -0.44 -0.21 0.00 -1.82 0.00 0.00 55.36 52.89 1i78 s GLN 105 Cb -0.07 0.27 0.03 0.00 -1.09 0.00 0.00 33.01 32.16 1i78 s GLN 105 CO 0.01 -0.18 0.70 -1.17 -1.32 0.00 0.00 175.29 173.33 1i78 s LEU 106 N -1.69 4.51 0.18 2.60 2.96 0.65 -1.93 118.68 125.96 1i78 s LEU 106 Ca -0.10 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.29 1i78 s LEU 106 Cb -0.04 -2.72 0.06 0.00 0.50 0.00 0.00 46.19 43.99 1i78 s LEU 106 CO -0.00 -0.89 1.60 0.78 -1.32 0.00 0.00 176.35 176.51 1i78 h ASN 107 N 8.98 1.01 -5.04 3.68 -0.26 -0.99 0.52 115.58 123.48 1i78 h ASN 107 Ca -0.26 -0.34 0.28 0.00 -0.56 0.00 0.00 56.30 55.42 1i78 h ASN 107 Cb 1.09 -0.27 -0.15 0.00 -1.06 0.00 0.00 38.32 37.93 1i78 h ASN 107 CO 0.95 1.13 0.80 -0.72 -1.06 0.00 0.00 177.43 178.53 1i78 s TYR 108 N -4.80 -0.09 -0.23 1.19 -0.85 -1.21 -3.67 117.35 107.70 1i78 s TYR 108 Ca -0.11 0.00 -0.24 0.00 -0.52 0.00 0.00 57.07 56.20 1i78 s TYR 108 Cb 0.13 0.54 0.07 0.00 0.38 0.00 0.00 41.96 43.07 1i78 s TYR 108 CO 0.86 -0.27 0.68 0.00 -1.52 0.00 0.00 175.55 175.30 1i78 s ALA 109 N -2.47 -1.68 0.24 9.51 0.00 -1.26 -1.17 121.76 124.92 1i78 s ALA 109 Ca 0.12 1.83 -0.12 0.00 0.00 0.00 0.00 51.96 53.78 1i78 s ALA 109 Cb 0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1i78 s ALA 109 CO -0.04 -0.33 0.45 0.54 0.00 0.00 0.00 175.76 176.38 1i78 s ASN 110 N 0.15 -0.08 -0.09 0.00 4.22 -0.82 -1.03 114.94 117.29 1i78 s ASN 110 Ca -0.02 -0.93 -0.29 0.00 -2.14 0.00 0.00 52.86 49.48 1i78 s ASN 110 Cb -0.04 0.57 0.07 0.00 1.28 0.00 0.00 41.25 43.12 1i78 s ASN 110 CO 0.02 -1.10 0.68 -0.70 -2.04 0.00 0.00 177.10 173.96 1i78 s GLU 111 N -4.02 1.01 0.04 3.55 2.12 -0.66 -1.23 118.70 119.51 1i78 s GLU 111 Ca 0.22 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.99 1i78 s GLU 111 Cb -0.00 0.48 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 1i78 s GLU 111 CO 0.08 -0.28 -0.09 -0.59 -0.54 0.00 0.00 175.26 173.84 1i78 s PHE 112 N -0.87 0.81 -0.01 5.30 -0.12 -0.65 -1.33 117.98 121.11 1i78 s PHE 112 Ca -0.09 -0.44 -0.00 0.00 -0.05 0.00 0.00 56.93 56.35 1i78 s PHE 112 Cb -0.01 -0.48 0.00 0.00 -0.63 0.00 0.00 43.02 41.90 1i78 s PHE 112 CO 0.08 -0.04 0.01 0.34 -0.05 0.00 0.00 175.22 175.57 1i78 s ASP 113 N -1.44 -0.01 -0.06 1.98 3.68 0.12 -2.18 116.67 118.76 1i78 s ASP 113 Ca -0.06 0.03 0.01 0.00 2.13 0.00 0.00 52.55 54.66 1i78 s ASP 113 Cb -0.09 0.02 0.02 0.00 -1.45 0.00 0.00 42.92 41.42 1i78 s ASP 113 CO 0.01 -0.01 -0.08 -0.76 0.13 0.00 0.00 175.17 174.46 1i78 s LEU 114 N 0.06 1.45 0.30 -1.34 1.43 -0.48 -0.64 118.68 119.46 1i78 s LEU 114 Ca -0.00 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1i78 s LEU 114 Cb -0.01 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.60 1i78 s LEU 114 CO -0.00 -0.02 0.61 0.54 0.23 0.00 0.00 176.35 177.70 1i78 s ASN 115 N 0.86 0.04 0.03 2.29 2.20 -0.49 -0.04 114.94 119.84 1i78 s ASN 115 Ca -0.12 -0.98 0.05 0.00 -0.94 0.00 0.00 52.86 50.87 1i78 s ASN 115 Cb -0.15 0.69 -0.02 0.00 -2.00 0.00 0.00 41.25 39.77 1i78 s ASN 115 CO 0.01 -1.34 -0.15 -0.51 -2.94 0.00 0.00 177.10 172.18 1i78 s ILE 116 N -3.48 1.18 -0.11 0.54 2.07 -0.21 -1.33 121.20 119.87 1i78 s ILE 116 Ca 0.19 -0.91 0.03 0.00 -1.41 0.00 0.00 60.65 58.55 1i78 s ILE 116 Cb -0.03 -1.04 0.01 0.00 0.13 0.00 0.00 42.46 41.52 1i78 s ILE 116 CO 0.11 0.12 -0.20 -0.54 -1.91 0.00 0.00 174.94 172.51 1i78 s LYS 117 N -0.91 2.72 -0.36 3.50 1.02 0.16 -2.21 119.74 123.67 1i78 s LYS 117 Ca 0.03 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.16 1i78 s LYS 117 Cb -0.07 -2.15 0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1i78 s LYS 117 CO 0.01 0.06 0.20 0.20 -0.92 0.00 0.00 175.35 174.90 1i78 s GLY 118 N 0.62 1.92 -0.05 -3.33 0.00 0.27 -1.21 107.32 105.55 1i78 s GLY 118 Ca -0.13 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 42.68 1i78 s GLY 118 CO 0.03 0.81 1.08 -0.98 0.00 0.00 0.00 173.10 174.05 1i78 s TRP 119 N 1.59 3.44 -0.20 1.90 0.52 0.42 -0.71 118.94 125.90 1i78 s TRP 119 Ca 0.03 1.46 -0.14 0.00 0.02 0.00 0.00 56.10 57.47 1i78 s TRP 119 Cb -0.18 -3.27 -0.20 0.00 -1.15 0.00 0.00 33.47 28.66 1i78 s TRP 119 CO 0.07 -0.64 0.14 1.28 0.02 0.00 0.00 176.95 177.82 1i78 n LEU 120 N 4.69 2.19 -4.17 2.99 4.32 0.36 -4.88 117.00 122.50 1i78 n LEU 120 Ca 0.09 0.31 -0.29 0.00 -0.02 0.00 0.00 56.01 56.10 1i78 n LEU 120 Cb 0.48 -0.99 -0.17 0.00 -1.62 0.00 0.00 43.42 41.13 1i78 n LEU 120 CO 0.53 0.54 -0.53 -0.76 -1.22 0.00 0.00 177.39 175.96 1i78 s LEU 121 N -7.48 1.95 -0.46 2.23 1.43 -0.55 -4.97 118.68 110.83 1i78 s LEU 121 Ca -0.29 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 1i78 s LEU 121 Cb 0.08 -1.17 0.20 0.00 0.03 0.00 0.00 46.19 45.33 1i78 s LEU 121 CO 0.63 0.15 0.61 -3.20 0.23 0.00 0.00 176.35 174.78 1i78 n ASN 122 N 3.34 -2.00 -4.31 2.29 5.15 -1.26 -1.50 115.26 116.97 1i78 n ASN 122 Ca -0.19 -2.79 -0.30 0.00 -0.60 0.00 0.00 54.58 50.69 1i78 n ASN 122 Cb 0.53 0.76 -0.16 0.00 -0.53 0.00 0.00 39.78 40.38 1i78 n ASN 122 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1i78 s GLU 123 N 0.32 1.99 0.12 1.20 0.41 -0.58 -5.03 118.70 117.13 1i78 s GLU 123 Ca 0.32 -0.95 0.08 0.00 -0.41 0.00 0.00 54.97 54.01 1i78 s GLU 123 Cb 0.08 -1.98 0.44 0.00 -1.78 0.00 0.00 34.13 30.89 1i78 s GLU 123 CO -0.14 0.54 0.50 -2.30 -0.49 0.00 0.00 175.26 173.37 1i78 n PRO 124 N 2.31 -0.02 0.00 0.39 -0.02 -1.26 0.33 135.00 136.73 1i78 n PRO 124 Ca -0.16 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1i78 n PRO 124 Cb 0.51 -0.78 -0.02 0.00 -0.02 0.00 0.00 33.50 33.19 1i78 n PRO 124 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i78 n ASN 125 N -3.60 1.64 -3.54 2.55 3.02 -1.26 -4.90 115.26 109.16 1i78 n ASN 125 Ca 0.12 -1.30 -0.09 0.00 -0.03 0.00 0.00 54.58 53.27 1i78 n ASN 125 Cb 0.43 0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 40.21 1i78 n ASN 125 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1i78 s TYR 126 N -2.65 -0.40 -0.17 3.10 -0.85 0.15 0.80 117.35 117.33 1i78 s TYR 126 Ca 0.15 0.16 -0.28 0.00 -0.52 0.00 0.00 57.07 56.58 1i78 s TYR 126 Cb 0.17 0.58 0.08 0.00 0.38 0.00 0.00 41.96 43.18 1i78 s TYR 126 CO 0.67 -0.83 0.78 -0.98 -1.52 0.00 0.00 175.55 173.67 1i78 s ARG 127 N -3.56 0.85 -0.08 -3.49 1.70 -0.36 -1.53 118.95 112.47 1i78 s ARG 127 Ca 0.05 0.55 -0.04 0.00 -0.47 0.00 0.00 55.73 55.82 1i78 s ARG 127 Cb -0.02 0.40 0.04 0.00 -0.57 0.00 0.00 34.95 34.81 1i78 s ARG 127 CO -0.07 -0.19 0.19 -1.17 -1.08 0.00 0.00 175.30 172.97 1i78 s LEU 128 N -0.44 0.52 0.13 -1.89 0.20 -0.56 -0.52 118.68 116.13 1i78 s LEU 128 Ca -0.04 0.39 -0.12 0.00 0.69 0.00 0.00 54.13 55.05 1i78 s LEU 128 Cb -0.02 0.50 0.01 0.00 -0.43 0.00 0.00 46.19 46.24 1i78 s LEU 128 CO 0.04 -0.16 0.32 -0.83 -0.29 0.00 0.00 176.35 175.42 1i78 s GLY 129 N 1.32 0.06 0.38 7.98 0.00 0.17 -0.49 107.32 116.74 1i78 s GLY 129 Ca -0.08 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.07 1i78 s GLY 129 CO -0.07 -0.60 0.73 1.08 0.00 0.00 0.00 173.10 174.24 1i78 s LEU 130 N -2.87 3.90 0.03 0.66 1.43 0.11 -0.96 118.68 120.98 1i78 s LEU 130 Ca 0.08 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.32 1i78 s LEU 130 Cb 0.03 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 1i78 s LEU 130 CO -0.07 -0.34 -0.14 -0.04 0.23 0.00 0.00 176.35 175.98 1i78 s MET 131 N -3.68 0.97 -0.04 1.70 -1.94 0.56 -0.56 119.30 116.31 1i78 s MET 131 Ca 0.51 -0.72 -0.01 0.00 -1.71 0.00 0.00 55.69 53.75 1i78 s MET 131 Cb -0.10 -0.97 0.03 0.00 2.01 0.00 0.00 34.83 35.80 1i78 s MET 131 CO 0.29 0.24 0.08 0.00 -0.01 0.00 0.00 175.02 175.62 1i78 s ALA 132 N -0.78 -0.05 0.05 3.03 0.00 -0.94 -0.36 121.76 122.72 1i78 s ALA 132 Ca 0.02 0.45 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 1i78 s ALA 132 Cb -0.07 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1i78 s ALA 132 CO 0.01 -0.13 0.25 0.41 0.00 0.00 0.00 175.76 176.30 1i78 n GLY 133 N 4.21 1.17 2.95 0.00 0.00 -0.53 -1.05 105.19 111.94 1i78 n GLY 133 Ca -0.27 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 1i78 n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i78 s TYR 134 N -5.19 0.79 0.01 1.61 5.04 0.95 -1.01 117.35 119.55 1i78 s TYR 134 Ca 0.05 -0.20 0.06 0.00 -2.44 0.00 0.00 57.07 54.55 1i78 s TYR 134 Cb -0.01 -0.61 -0.02 0.00 0.35 0.00 0.00 41.96 41.67 1i78 s TYR 134 CO 0.01 -0.12 -0.19 -0.65 -1.34 0.00 0.00 175.55 173.26 1i78 s GLN 135 N 0.42 1.42 -0.06 4.97 -0.21 0.61 -1.38 119.66 125.42 1i78 s GLN 135 Ca -0.06 -0.78 -0.03 0.00 0.02 0.00 0.00 55.36 54.52 1i78 s GLN 135 Cb -0.10 -1.44 0.04 0.00 1.00 0.00 0.00 33.01 32.51 1i78 s GLN 135 CO 0.00 0.38 0.12 -2.00 -2.12 0.00 0.00 175.29 171.68 1i78 s GLU 136 N -0.77 0.01 0.15 2.91 2.12 -0.92 0.11 118.70 122.30 1i78 s GLU 136 Ca 0.07 0.45 0.06 0.00 0.36 0.00 0.00 54.97 55.92 1i78 s GLU 136 Cb -0.08 -0.32 -0.04 0.00 0.26 0.00 0.00 34.13 33.95 1i78 s GLU 136 CO 0.00 -0.28 -0.14 -1.54 -0.54 0.00 0.00 175.26 172.76 1i78 s SER 137 N 1.98 2.19 0.02 -1.70 1.04 -0.83 -1.64 113.70 114.76 1i78 s SER 137 Ca 0.01 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.58 1i78 s SER 137 Cb -0.12 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 1i78 s SER 137 CO -0.05 -0.15 -0.06 -0.13 0.98 0.00 0.00 173.24 173.84 1i78 s ARG 138 N -2.97 0.42 0.02 4.02 0.52 -0.37 -0.88 118.95 119.71 1i78 s ARG 138 Ca 0.13 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 1i78 s ARG 138 Cb -0.04 -0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.18 1i78 s ARG 138 CO 0.04 0.05 -0.09 0.71 0.02 0.00 0.00 175.30 176.03 1i78 s TYR 139 N -0.93 0.79 -0.08 -0.53 1.51 -0.87 -1.95 117.35 115.30 1i78 s TYR 139 Ca -0.07 -0.26 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1i78 s TYR 139 Cb -0.07 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.32 1i78 s TYR 139 CO -0.00 -0.02 -0.04 0.45 -1.11 0.00 0.00 175.55 174.83 1i78 s SER 140 N -0.71 1.65 0.17 2.29 0.15 -0.32 -1.03 113.70 115.90 1i78 s SER 140 Ca -0.00 -0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.57 1i78 s SER 140 Cb -0.06 -0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 63.62 1i78 s SER 140 CO 0.00 -0.12 -0.20 -0.36 1.20 0.00 0.00 173.24 173.75 1i78 s PHE 141 N 1.57 1.98 -0.06 3.44 0.40 0.98 -0.38 117.98 125.92 1i78 s PHE 141 Ca 0.00 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 55.86 1i78 s PHE 141 Cb -0.13 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.43 1i78 s PHE 141 CO -0.04 0.38 0.15 0.99 0.70 0.00 0.00 175.22 177.40 1i78 s THR 142 N -1.84 -0.02 -0.02 0.64 2.01 -0.81 -0.86 115.64 114.75 1i78 s THR 142 Ca 0.17 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1i78 s THR 142 Cb -0.07 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 72.20 1i78 s THR 142 CO 0.07 0.03 -0.12 0.00 -0.69 0.00 0.00 174.62 173.92 1i78 s ALA 143 N 0.48 1.00 0.11 7.40 0.00 -0.25 -1.26 121.76 129.25 1i78 s ALA 143 Ca -0.03 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.51 1i78 s ALA 143 Cb -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1i78 s ALA 143 CO -0.02 0.21 -0.14 1.03 0.00 0.00 0.00 175.76 176.84 1i78 s ARG 144 N -0.10 1.00 3.07 0.00 0.52 -0.06 -0.07 118.95 123.30 1i78 s ARG 144 Ca 0.01 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.02 1i78 s ARG 144 Cb -0.06 -0.90 0.00 0.00 0.52 0.00 0.00 34.95 34.50 1i78 s ARG 144 CO 0.00 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.91 1i78 n GLY 145 N 0.64 2.89 0.00 -3.53 0.00 0.78 -4.35 105.19 101.63 1i78 n GLY 145 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1i78 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i78 n GLY 146 N 0.00 0.94 3.67 -0.02 0.00 -1.26 -4.80 105.19 103.71 1i78 n GLY 146 Ca 0.00 -2.07 -0.23 0.00 0.00 0.00 0.00 46.02 43.72 1i78 n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i78 s SER 147 N 0.00 4.52 0.03 1.61 1.04 -0.63 -1.25 113.70 119.03 1i78 s SER 147 Ca 0.00 -0.75 -0.09 0.00 0.48 0.00 0.00 55.95 55.59 1i78 s SER 147 Cb 0.00 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1i78 s SER 147 CO 0.00 -0.14 0.19 -0.72 0.98 0.00 0.00 173.24 173.55 1i78 s TYR 148 N -2.39 0.05 -0.44 5.02 1.13 -1.03 -0.90 117.35 118.79 1i78 s TYR 148 Ca 0.34 -0.24 0.02 0.00 -1.41 0.00 0.00 57.07 55.79 1i78 s TYR 148 Cb -0.04 -0.03 0.15 0.00 -1.10 0.00 0.00 41.96 40.94 1i78 s TYR 148 CO 0.21 -0.41 0.28 0.42 -2.51 0.00 0.00 175.55 173.54 1i78 s ILE 149 N -2.34 0.98 0.61 -3.49 1.01 0.02 -1.54 121.20 116.46 1i78 s ILE 149 Ca -0.07 -2.51 0.01 0.00 0.00 0.00 0.00 60.65 58.08 1i78 s ILE 149 Cb -0.02 -1.69 0.12 0.00 0.01 0.00 0.00 42.46 40.88 1i78 s ILE 149 CO -0.03 -1.00 0.83 -1.22 0.00 0.00 0.00 174.94 173.52 1i78 n TYR 150 N 3.38 -2.93 -3.87 3.97 4.01 -0.78 -2.18 117.16 118.77 1i78 n TYR 150 Ca 0.15 -1.54 -0.28 0.00 -0.16 0.00 0.00 57.90 56.07 1i78 n TYR 150 Cb 0.38 -0.60 -0.16 0.00 -0.31 0.00 0.00 39.34 38.64 1i78 n TYR 150 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1i78 s SER 151 N -4.43 2.80 0.92 7.72 0.01 -1.16 -2.47 113.70 117.10 1i78 s SER 151 Ca 0.56 -0.66 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 1i78 s SER 151 Cb -0.03 -0.86 0.14 0.00 0.21 0.00 0.00 66.02 65.48 1i78 s SER 151 CO 0.37 -0.20 1.09 -0.94 0.41 0.00 0.00 173.24 173.97 1i78 s SER 152 N 1.67 3.28 0.29 2.44 1.04 -1.23 -4.90 113.70 116.28 1i78 s SER 152 Ca 0.01 1.43 0.03 0.00 0.48 0.00 0.00 55.95 57.89 1i78 s SER 152 Cb -0.15 -2.11 0.65 0.00 0.10 0.00 0.00 66.02 64.51 1i78 s SER 152 CO -0.07 -2.75 1.76 -0.33 0.98 0.00 0.00 173.24 172.82 1i78 h GLU 153 N -1.63 0.64 0.00 4.02 5.08 -2.04 -2.24 114.58 118.41 1i78 h GLU 153 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1i78 h GLU 153 Cb 1.29 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1i78 h GLU 153 CO 0.55 0.42 -0.90 0.39 -1.00 0.00 0.00 179.01 178.47 1i78 n GLU 154 N -4.85 1.48 -3.47 2.33 1.02 -1.26 -5.01 120.64 110.89 1i78 n GLU 154 Ca 0.21 -0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 57.11 1i78 n GLU 154 Cb 0.53 -1.28 -0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1i78 n GLU 154 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1i78 s GLY 155 N -2.72 2.09 -0.09 0.62 0.00 -0.84 -5.13 107.32 101.25 1i78 s GLY 155 Ca 0.04 -1.77 -0.02 0.00 0.00 0.00 0.00 44.72 42.97 1i78 s GLY 155 CO 0.67 -1.72 0.04 -0.12 0.00 0.00 0.00 173.10 171.96 1i78 s PHE 156 N -2.56 0.46 -1.65 1.90 5.36 -1.26 -3.54 117.98 116.69 1i78 s PHE 156 Ca 0.48 -0.13 -0.17 0.00 -0.96 0.00 0.00 56.93 56.16 1i78 s PHE 156 Cb -0.04 -0.71 0.13 0.00 -0.34 0.00 0.00 43.02 42.06 1i78 s PHE 156 CO 0.29 -0.34 0.84 0.54 -1.46 0.00 0.00 175.22 175.09 1i78 n ARG 157 N 5.20 -3.90 -0.00 10.12 1.74 -1.13 -4.83 116.66 123.85 1i78 n ARG 157 Ca -0.06 0.44 0.03 0.00 -0.77 0.00 0.00 57.85 57.49 1i78 n ARG 157 Cb 0.50 -5.21 -0.04 0.00 -1.02 0.00 0.00 32.46 26.68 1i78 n ARG 157 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1i78 n ASP 158 N -2.72 2.21 -3.90 0.55 5.68 -1.03 -4.80 116.55 112.54 1i78 n ASP 158 Ca 0.06 -0.27 -0.43 0.00 -0.50 0.00 0.00 54.79 53.65 1i78 n ASP 158 Cb 0.51 1.17 0.00 0.00 -1.14 0.00 0.00 41.12 41.66 1i78 n ASP 158 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1i78 n ASP 159 N -1.48 5.18 -4.86 -1.12 -0.08 -1.04 -4.98 116.55 108.16 1i78 n ASP 159 Ca -0.00 -3.12 -0.31 0.00 -1.51 0.00 0.00 54.79 49.84 1i78 n ASP 159 Cb 0.14 -1.47 0.02 0.00 2.34 0.00 0.00 41.12 42.15 1i78 n ASP 159 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1i78 s ILE 160 N 0.23 4.54 -1.56 5.18 1.09 -1.26 -1.86 121.20 127.56 1i78 s ILE 160 Ca 0.39 0.82 0.00 0.00 -1.10 0.00 0.00 60.65 60.76 1i78 s ILE 160 Cb 0.09 -3.78 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 1i78 s ILE 160 CO 0.01 -1.08 0.00 0.61 -0.10 0.00 0.00 174.94 174.38 1i78 n GLY 161 N -2.65 -0.74 3.51 6.18 0.00 -0.59 -4.95 105.19 105.95 1i78 n GLY 161 Ca 0.06 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 1i78 n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i78 s SER 162 N -4.00 -0.62 0.27 1.61 0.15 -1.26 -2.48 113.70 107.37 1i78 s SER 162 Ca 0.00 1.03 -0.08 0.00 0.70 0.00 0.00 55.95 57.60 1i78 s SER 162 Cb 0.00 1.01 -0.06 0.00 -1.71 0.00 0.00 66.02 65.26 1i78 s SER 162 CO 0.00 -0.34 0.57 -0.36 1.20 0.00 0.00 173.24 174.31 1i78 s PHE 163 N -0.21 3.45 -0.55 3.44 0.40 -0.38 -4.98 117.98 119.14 1i78 s PHE 163 Ca -0.04 0.79 -0.26 0.00 -0.60 0.00 0.00 56.93 56.81 1i78 s PHE 163 Cb -0.03 -2.21 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 1i78 s PHE 163 CO 0.04 0.19 2.19 -2.14 0.70 0.00 0.00 175.22 176.19 1i78 s PRO 164 N -3.26 2.30 0.04 0.24 0.02 -1.26 -4.50 135.00 128.58 1i78 s PRO 164 Ca 0.46 1.05 -0.14 0.00 0.02 0.00 0.00 61.00 62.39 1i78 s PRO 164 Cb -0.11 -4.52 -0.07 0.00 0.02 0.00 0.00 34.50 29.82 1i78 s PRO 164 CO 0.26 -3.10 0.33 0.09 -0.33 0.00 0.00 177.00 174.25 1i78 n ASN 165 N 14.72 -0.24 0.00 2.53 3.02 -1.26 -2.47 115.26 131.55 1i78 n ASN 165 Ca 0.30 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 55.31 1i78 n ASN 165 Cb 0.53 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1i78 n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i78 n GLY 166 N 0.70 1.16 0.00 7.41 0.00 -1.26 -4.90 105.19 108.29 1i78 n GLY 166 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1i78 n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i78 n GLU 167 N -2.00 3.56 -2.56 1.61 1.02 -1.03 -4.70 120.64 116.54 1i78 n GLU 167 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1i78 n GLU 167 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1i78 n GLU 167 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1i78 n ARG 168 N 0.00 -2.74 -1.60 3.49 5.12 -1.26 -0.15 116.66 119.52 1i78 n ARG 168 Ca 0.00 0.18 -0.44 0.00 -1.93 0.00 0.00 57.85 55.67 1i78 n ARG 168 Cb 0.00 -4.72 -0.01 0.00 -1.16 0.00 0.00 32.46 26.57 1i78 n ARG 168 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i78 n ALA 169 N -2.49 -0.08 -3.89 7.54 0.00 -1.25 -4.56 120.51 115.78 1i78 n ALA 169 Ca -0.04 0.34 -0.27 0.00 0.00 0.00 0.00 53.44 53.47 1i78 n ALA 169 Cb 0.53 -2.04 -0.17 0.00 0.00 0.00 0.00 19.45 17.78 1i78 n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i78 s ILE 170 N -1.13 1.01 -0.02 0.00 -1.09 0.90 -1.55 121.20 119.33 1i78 s ILE 170 Ca 0.59 -0.44 -0.08 0.00 -2.23 0.00 0.00 60.65 58.50 1i78 s ILE 170 Cb -0.65 -1.13 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 1i78 s ILE 170 CO 0.59 0.23 0.26 -0.83 -1.23 0.00 0.00 174.94 173.96 1i78 s GLY 171 N 1.69 2.26 -0.19 6.18 0.00 0.12 -1.09 107.32 116.30 1i78 s GLY 171 Ca 0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 1i78 s GLY 171 CO -0.08 -0.33 0.29 -0.47 0.00 0.00 0.00 173.10 172.52 1i78 s TYR 172 N -1.23 -0.51 0.02 1.90 5.04 -0.04 0.31 117.35 122.85 1i78 s TYR 172 Ca 0.25 0.69 0.06 0.00 -2.44 0.00 0.00 57.07 55.63 1i78 s TYR 172 Cb -0.13 -0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.03 1i78 s TYR 172 CO 0.14 -0.56 -0.15 0.15 -1.34 0.00 0.00 175.55 173.78 1i78 s LYS 173 N 2.43 2.23 0.09 4.97 1.02 0.27 -0.01 119.74 130.74 1i78 s LYS 173 Ca 0.06 -0.89 0.05 0.00 0.02 0.00 0.00 55.97 55.22 1i78 s LYS 173 Cb -0.14 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1i78 s LYS 173 CO -0.12 0.56 -0.13 -0.65 -0.92 0.00 0.00 175.35 174.09 1i78 s GLN 174 N -1.33 0.86 -0.04 1.68 -0.21 -0.20 -0.02 119.66 120.40 1i78 s GLN 174 Ca 0.15 -1.06 -0.01 0.00 0.02 0.00 0.00 55.36 54.46 1i78 s GLN 174 Cb -0.11 -0.77 0.03 0.00 1.00 0.00 0.00 33.01 33.17 1i78 s GLN 174 CO 0.05 0.16 0.02 0.50 -2.12 0.00 0.00 175.29 173.90 1i78 s ARG 175 N -2.17 0.22 -0.30 2.91 3.52 0.65 -2.05 118.95 121.74 1i78 s ARG 175 Ca 0.02 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.81 1i78 s ARG 175 Cb -0.07 -0.56 0.07 0.00 -1.56 0.00 0.00 34.95 32.82 1i78 s ARG 175 CO 0.02 -0.23 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.19 1i78 s PHE 176 N 1.53 3.37 -0.36 5.12 0.08 -0.06 -0.75 117.98 126.91 1i78 s PHE 176 Ca -0.03 -2.31 -0.19 0.00 0.12 0.00 0.00 56.93 54.52 1i78 s PHE 176 Cb -0.13 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 1i78 s PHE 176 CO -0.03 -0.87 0.57 0.15 -0.10 0.00 0.00 175.22 174.94 1i78 s LYS 177 N 1.12 3.62 -0.32 0.44 -0.14 0.31 -1.96 119.74 122.81 1i78 s LYS 177 Ca -0.03 -0.09 0.01 0.00 -1.36 0.00 0.00 55.97 54.50 1i78 s LYS 177 Cb -0.20 -3.82 0.10 0.00 -1.68 0.00 0.00 37.83 32.23 1i78 s LYS 177 CO -0.04 -0.70 0.07 -1.64 -0.76 0.00 0.00 175.35 172.28 1i78 s MET 178 N 2.54 1.04 0.47 1.68 -1.94 0.30 -0.88 119.30 122.52 1i78 s MET 178 Ca 0.21 -1.39 -0.16 0.00 -1.71 0.00 0.00 55.69 52.64 1i78 s MET 178 Cb -0.15 -2.49 -0.08 0.00 2.01 0.00 0.00 34.83 34.11 1i78 s MET 178 CO 0.14 -0.95 0.93 -2.14 -0.01 0.00 0.00 175.02 172.99 1i78 s PRO 179 N 1.33 3.98 0.11 2.03 0.02 -1.26 -0.29 135.00 140.92 1i78 s PRO 179 Ca 0.10 0.90 -0.25 0.00 0.02 0.00 0.00 61.00 61.77 1i78 s PRO 179 Cb -0.18 -2.20 0.08 0.00 0.02 0.00 0.00 34.50 32.22 1i78 s PRO 179 CO -0.18 -0.17 0.68 1.52 -0.33 0.00 0.00 177.00 178.53 1i78 s TYR 180 N -2.47 -0.48 0.09 6.54 -0.85 -0.18 -4.64 117.35 115.36 1i78 s TYR 180 Ca 0.58 0.30 0.07 0.00 -0.52 0.00 0.00 57.07 57.50 1i78 s TYR 180 Cb -0.10 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 1i78 s TYR 180 CO 0.27 -0.76 -0.11 0.42 -1.52 0.00 0.00 175.55 173.85 1i78 s ILE 181 N -3.56 3.28 0.33 -3.49 -1.09 -0.45 -1.46 121.20 114.76 1i78 s ILE 181 Ca 0.02 -1.23 -0.12 0.00 -2.23 0.00 0.00 60.65 57.09 1i78 s ILE 181 Cb -0.01 -2.51 0.02 0.00 -1.58 0.00 0.00 42.46 38.38 1i78 s ILE 181 CO -0.12 0.16 0.62 -0.83 -1.23 0.00 0.00 174.94 173.54 1i78 s GLY 182 N -2.04 0.68 -0.04 6.18 0.00 0.52 -0.81 107.32 111.82 1i78 s GLY 182 Ca 0.20 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1i78 s GLY 182 CO 0.12 -0.56 -0.00 -2.27 0.00 0.00 0.00 173.10 170.39 1i78 s LEU 183 N -3.09 1.08 0.04 0.66 1.98 -0.43 -0.32 118.68 118.60 1i78 s LEU 183 Ca 0.21 -0.04 0.01 0.00 -2.89 0.00 0.00 54.13 51.41 1i78 s LEU 183 Cb -0.03 -0.27 -0.03 0.00 0.66 0.00 0.00 46.19 46.53 1i78 s LEU 183 CO 0.13 -0.11 -0.05 0.28 -1.89 0.00 0.00 176.35 174.71 1i78 s THR 184 N 1.15 0.31 0.02 3.68 -1.32 -0.13 -1.14 115.64 118.22 1i78 s THR 184 Ca -0.08 -1.29 -0.29 0.00 -1.21 0.00 0.00 61.69 58.82 1i78 s THR 184 Cb -0.13 -0.82 0.11 0.00 -1.51 0.00 0.00 72.50 70.15 1i78 s THR 184 CO -0.02 -0.63 1.22 -0.83 -2.21 0.00 0.00 174.62 172.15 1i78 s GLY 185 N -2.03 -0.37 -0.02 6.08 0.00 -0.97 0.44 107.32 110.44 1i78 s GLY 185 Ca -0.06 0.56 -0.28 0.00 0.00 0.00 0.00 44.72 44.94 1i78 s GLY 185 CO -0.03 0.19 0.63 -1.35 0.00 0.00 0.00 173.10 172.54 1i78 s SER 186 N -2.99 -0.60 -0.06 1.64 1.04 0.32 -1.65 113.70 111.40 1i78 s SER 186 Ca 0.14 0.57 0.03 0.00 0.48 0.00 0.00 55.95 57.17 1i78 s SER 186 Cb 0.04 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1i78 s SER 186 CO -0.03 -0.64 -0.15 -0.47 0.98 0.00 0.00 173.24 172.94 1i78 s TYR 187 N -1.52 1.65 -0.10 5.02 5.04 -0.47 -1.22 117.35 125.75 1i78 s TYR 187 Ca -0.10 -0.57 0.02 0.00 -2.44 0.00 0.00 57.07 53.98 1i78 s TYR 187 Cb -0.01 -1.16 0.01 0.00 0.35 0.00 0.00 41.96 41.16 1i78 s TYR 187 CO 0.07 -0.25 -0.16 0.50 -1.34 0.00 0.00 175.55 174.36 1i78 s ARG 188 N 0.41 2.27 -0.24 4.97 3.52 0.24 -1.15 118.95 128.97 1i78 s ARG 188 Ca -0.11 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 1i78 s ARG 188 Cb -0.14 -1.88 0.06 0.00 -1.56 0.00 0.00 34.95 31.43 1i78 s ARG 188 CO 0.04 -0.01 -0.08 -0.47 -0.81 0.00 0.00 175.30 173.97 1i78 s TYR 189 N 0.81 2.77 0.00 5.12 5.04 -0.81 -4.75 117.35 125.53 1i78 s TYR 189 Ca -0.10 -1.98 0.00 0.00 -2.44 0.00 0.00 57.07 52.55 1i78 s TYR 189 Cb -0.16 -1.73 0.00 0.00 0.35 0.00 0.00 41.96 40.42 1i78 s TYR 189 CO 0.01 -0.82 0.00 0.39 -1.34 0.00 0.00 175.55 173.79 1i78 n GLU 190 N 4.57 0.00 -0.01 4.97 -0.58 -1.26 -2.09 120.64 126.24 1i78 n GLU 190 Ca -0.13 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.65 1i78 n GLU 190 Cb 0.43 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.34 1i78 n GLU 190 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1i78 n ASP 191 N 10.60 1.73 -4.90 1.62 8.00 -1.26 -4.97 116.55 127.38 1i78 n ASP 191 Ca 0.00 -1.38 -0.29 0.00 0.71 0.00 0.00 54.79 53.82 1i78 n ASP 191 Cb 0.00 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1i78 n ASP 191 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1i78 s PHE 192 N -0.67 3.47 -0.26 1.24 5.36 -0.89 -0.78 117.98 125.44 1i78 s PHE 192 Ca 0.10 0.66 -0.18 0.00 -0.96 0.00 0.00 56.93 56.54 1i78 s PHE 192 Cb 0.06 -2.11 0.07 0.00 -0.34 0.00 0.00 43.02 40.71 1i78 s PHE 192 CO 0.10 0.22 0.67 -2.00 -1.46 0.00 0.00 175.22 172.75 1i78 s GLU 193 N -3.32 0.72 0.20 10.12 2.12 -0.75 -1.92 118.70 125.88 1i78 s GLU 193 Ca 0.44 1.10 0.08 0.00 0.36 0.00 0.00 54.97 56.95 1i78 s GLU 193 Cb -0.11 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 1i78 s GLU 193 CO 0.28 -0.13 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.35 1i78 s LEU 194 N 1.15 3.26 0.17 2.70 1.43 -0.30 -2.52 118.68 124.57 1i78 s LEU 194 Ca -0.06 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 1i78 s LEU 194 Cb -0.05 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.34 1i78 s LEU 194 CO -0.12 0.06 0.53 -0.83 0.23 0.00 0.00 176.35 176.22 1i78 s GLY 195 N -3.17 -0.34 0.04 -3.19 0.00 -0.79 -1.37 107.32 98.51 1i78 s GLY 195 Ca 0.28 0.09 -0.26 0.00 0.00 0.00 0.00 44.72 44.83 1i78 s GLY 195 CO 0.19 -0.11 0.62 -0.32 0.00 0.00 0.00 173.10 173.48 1i78 s GLY 196 N -2.81 -0.56 -0.10 0.20 0.00 -0.66 -1.95 107.32 101.43 1i78 s GLY 196 Ca 0.04 0.88 -0.05 0.00 0.00 0.00 0.00 44.72 45.59 1i78 s GLY 196 CO -0.09 0.54 0.24 -1.59 0.00 0.00 0.00 173.10 172.21 1i78 s THR 197 N -2.36 -0.04 -0.08 0.90 2.01 0.20 -2.29 115.64 113.98 1i78 s THR 197 Ca -0.06 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1i78 s THR 197 Cb -0.01 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1i78 s THR 197 CO -0.01 0.06 -0.21 0.12 -0.69 0.00 0.00 174.62 173.89 1i78 s PHE 198 N 1.22 2.26 0.06 4.92 5.36 -0.29 -1.17 117.98 130.35 1i78 s PHE 198 Ca -0.09 -0.85 0.07 0.00 -0.96 0.00 0.00 56.93 55.11 1i78 s PHE 198 Cb -0.10 -1.53 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1i78 s PHE 198 CO -0.08 -0.33 -0.21 0.15 -1.46 0.00 0.00 175.22 173.29 1i78 s LYS 199 N 0.27 1.29 0.02 10.12 1.02 -0.64 -1.32 119.74 130.51 1i78 s LYS 199 Ca -0.14 -1.00 -0.00 0.00 0.02 0.00 0.00 55.97 54.84 1i78 s LYS 199 Cb -0.16 -1.45 -0.02 0.00 -0.52 0.00 0.00 37.83 35.68 1i78 s LYS 199 CO 0.06 0.36 -0.01 -0.47 -0.92 0.00 0.00 175.35 174.37 1i78 s TYR 200 N -0.91 0.20 -0.08 3.18 5.04 0.01 -1.68 117.35 123.11 1i78 s TYR 200 Ca 0.07 -0.42 -0.26 0.00 -2.44 0.00 0.00 57.07 54.02 1i78 s TYR 200 Cb -0.09 -0.15 0.06 0.00 0.35 0.00 0.00 41.96 42.13 1i78 s TYR 200 CO 0.02 -0.17 0.60 0.45 -1.34 0.00 0.00 175.55 175.12 1i78 s SER 201 N -1.22 -0.57 -0.02 4.32 0.15 -0.73 -1.34 113.70 114.30 1i78 s SER 201 Ca -0.13 0.71 0.02 0.00 0.70 0.00 0.00 55.95 57.25 1i78 s SER 201 Cb -0.08 0.65 0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1i78 s SER 201 CO -0.01 -0.49 0.96 0.61 1.20 0.00 0.00 173.24 175.51 1i78 n GLY 202 N 1.37 0.67 0.49 9.45 0.00 -1.25 -0.84 105.19 115.09 1i78 n GLY 202 Ca -0.18 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1i78 n GLY 202 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1i78 n TRP 203 N -0.19 0.00 -2.28 1.61 8.01 -1.04 -3.77 117.44 119.78 1i78 n TRP 203 Ca 0.02 -0.89 -0.41 0.00 -1.31 0.00 0.00 57.50 54.90 1i78 n TRP 203 Cb 0.66 -0.16 -0.03 0.00 -2.01 0.00 0.00 31.31 29.77 1i78 n TRP 203 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1i78 s VAL 204 N -2.07 3.40 -0.32 -0.99 1.01 -0.13 -4.56 120.40 116.73 1i78 s VAL 204 Ca 0.28 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 1i78 s VAL 204 Cb 0.27 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.98 1i78 s VAL 204 CO -0.03 0.16 0.04 -0.70 0.00 0.00 0.00 175.10 174.57 1i78 s GLU 205 N 0.06 2.40 -0.18 2.72 2.12 -0.06 -1.47 118.70 124.30 1i78 s GLU 205 Ca 0.56 -1.33 -0.04 0.00 0.36 0.00 0.00 54.97 54.52 1i78 s GLU 205 Cb -0.35 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1i78 s GLU 205 CO 0.36 -0.69 -0.02 -1.54 -0.54 0.00 0.00 175.26 172.84 1i78 s SER 206 N 1.35 4.87 0.04 -1.70 1.04 -0.59 -0.53 113.70 118.18 1i78 s SER 206 Ca -0.03 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.33 1i78 s SER 206 Cb -0.20 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.08 1i78 s SER 206 CO -0.01 0.13 -0.19 -0.94 0.98 0.00 0.00 173.24 173.21 1i78 s SER 207 N 0.62 2.25 0.12 7.02 1.04 0.07 -0.04 113.70 124.78 1i78 s SER 207 Ca -0.01 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1i78 s SER 207 Cb -0.14 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 1i78 s SER 207 CO 0.02 0.13 -0.04 1.51 0.98 0.00 0.00 173.24 175.84 1i78 s ASP 208 N -1.16 1.09 -0.15 7.02 1.47 -0.26 -0.25 116.67 124.43 1i78 s ASP 208 Ca 0.06 -1.07 -0.02 0.00 1.18 0.00 0.00 52.55 52.70 1i78 s ASP 208 Cb -0.09 0.12 0.05 0.00 -0.34 0.00 0.00 42.92 42.66 1i78 s ASP 208 CO 0.02 -0.52 0.01 0.21 0.68 0.00 0.00 175.17 175.57 1i78 s ASN 209 N -3.08 2.40 -0.10 2.11 3.04 0.97 -1.87 114.94 118.42 1i78 s ASN 209 Ca 0.16 -0.53 -0.05 0.00 0.04 0.00 0.00 52.86 52.48 1i78 s ASN 209 Cb 0.06 -0.57 -0.04 0.00 -1.54 0.00 0.00 41.25 39.16 1i78 s ASN 209 CO -0.02 -0.25 0.10 -0.62 -3.04 0.00 0.00 177.10 173.27 1i78 s ASP 210 N 1.88 6.07 -0.19 -4.21 -1.08 0.67 -0.57 116.67 119.24 1i78 s ASP 210 Ca 0.02 0.37 -0.04 0.00 -0.52 0.00 0.00 52.55 52.37 1i78 s ASP 210 Cb -0.15 -1.90 0.06 0.00 -1.46 0.00 0.00 42.92 39.48 1i78 s ASP 210 CO -0.07 0.39 0.08 -0.70 0.52 0.00 0.00 175.17 175.39 1i78 s GLU 211 N -1.07 0.21 -0.52 4.34 2.56 0.15 -1.41 118.70 122.96 1i78 s GLU 211 Ca 0.15 -0.21 -0.19 0.00 0.00 0.00 0.00 54.97 54.72 1i78 s GLU 211 Cb -0.12 -1.83 0.06 0.00 2.00 0.00 0.00 34.13 34.24 1i78 s GLU 211 CO 0.05 -0.70 0.66 -1.01 -0.56 0.00 0.00 175.26 173.69 1i78 s HIS 212 N 2.07 3.02 -2.09 5.30 3.76 -0.86 0.16 115.29 126.65 1i78 s HIS 212 Ca 0.02 -0.57 0.31 0.00 -0.15 0.00 0.00 55.06 54.67 1i78 s HIS 212 Cb -0.16 -3.65 1.74 0.00 1.11 0.00 0.00 32.58 31.62 1i78 s HIS 212 CO -0.12 -1.10 2.14 0.66 -0.85 0.00 0.00 174.74 175.47 1i78 n TYR 213 N 6.30 0.00 -1.50 1.40 4.02 -0.59 -2.62 117.16 124.16 1i78 n TYR 213 Ca -0.06 -0.00 -0.53 0.00 -0.01 0.00 0.00 57.90 57.29 1i78 n TYR 213 Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.70 1i78 n TYR 213 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1i78 n ASP 214 N -0.78 2.11 -0.26 7.72 2.03 -1.25 -4.78 116.55 121.34 1i78 n ASP 214 Ca 0.23 0.62 0.06 0.00 0.52 0.00 0.00 54.79 56.22 1i78 n ASP 214 Cb 0.16 -1.20 0.19 0.00 -0.72 0.00 0.00 41.12 39.55 1i78 n ASP 214 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1i78 h PRO 215 N 10.68 0.40 -1.43 -0.67 0.11 -1.98 0.15 132.00 139.26 1i78 h PRO 215 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1i78 h PRO 215 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1i78 h PRO 215 CO 1.01 0.26 0.00 1.63 -0.21 0.00 0.00 178.00 180.69 1i78 n LYS 216 N -5.03 0.59 0.00 1.05 4.01 -1.26 -3.98 118.16 113.54 1i78 n LYS 216 Ca 0.15 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 1i78 n LYS 216 Cb 0.44 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 1i78 n LYS 216 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1i78 n GLY 217 N 0.74 -0.89 3.28 0.72 0.00 0.48 -5.12 105.19 104.41 1i78 n GLY 217 Ca 0.00 0.51 -0.45 0.00 0.00 0.00 0.00 46.02 46.08 1i78 n GLY 217 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i78 s ARG 218 N 0.00 2.87 0.14 1.61 3.00 -0.82 -3.94 118.95 121.81 1i78 s ARG 218 Ca 0.00 -1.74 0.05 0.00 -1.00 0.00 0.00 55.73 53.04 1i78 s ARG 218 Cb 0.00 -4.21 -0.04 0.00 0.00 0.00 0.00 34.95 30.70 1i78 s ARG 218 CO 0.00 -1.30 0.07 0.42 0.00 0.00 0.00 175.30 174.49 1i78 s ILE 219 N 1.50 4.21 -0.10 4.11 -1.09 -1.08 -1.52 121.20 127.24 1i78 s ILE 219 Ca 0.04 -1.11 0.02 0.00 -2.23 0.00 0.00 60.65 57.37 1i78 s ILE 219 Cb -0.29 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.51 1i78 s ILE 219 CO 0.02 -0.04 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.65 1i78 s THR 220 N -1.62 1.47 -0.22 2.92 2.01 -1.26 -2.03 115.64 116.92 1i78 s THR 220 Ca 0.29 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1i78 s THR 220 Cb -0.10 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 71.10 1i78 s THR 220 CO 0.21 0.43 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.13 1i78 s TYR 221 N 0.88 2.98 -0.15 4.92 1.51 -0.50 -1.91 117.35 125.08 1i78 s TYR 221 Ca -0.09 -1.79 -0.01 0.00 -1.01 0.00 0.00 57.07 54.18 1i78 s TYR 221 Cb -0.15 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1i78 s TYR 221 CO 0.00 -0.80 -0.12 1.03 -1.11 0.00 0.00 175.55 174.55 1i78 s ARG 222 N 1.25 3.35 0.13 -0.62 0.52 -0.88 -0.23 118.95 122.47 1i78 s ARG 222 Ca 0.00 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1i78 s ARG 222 Cb -0.16 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 1i78 s ARG 222 CO -0.09 0.10 -0.09 -1.54 0.02 0.00 0.00 175.30 173.71 1i78 s SER 223 N 0.63 1.55 -0.14 0.23 1.04 -0.78 -0.93 113.70 115.30 1i78 s SER 223 Ca -0.07 -1.01 -0.09 0.00 0.48 0.00 0.00 55.95 55.27 1i78 s SER 223 Cb -0.15 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.04 1i78 s SER 223 CO 0.03 -0.38 0.35 -0.75 0.98 0.00 0.00 173.24 173.47 1i78 s LYS 224 N -3.76 0.34 -0.08 4.02 2.20 -0.29 -1.10 119.74 121.08 1i78 s LYS 224 Ca 0.15 0.65 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 1i78 s LYS 224 Cb 0.03 -0.00 -0.01 0.00 -1.51 0.00 0.00 37.83 36.34 1i78 s LYS 224 CO -0.01 -0.14 -0.21 0.08 -0.36 0.00 0.00 175.35 174.71 1i78 s VAL 225 N 1.10 2.40 0.35 4.02 1.01 0.95 -1.31 120.40 128.92 1i78 s VAL 225 Ca -0.07 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1i78 s VAL 225 Cb -0.08 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1i78 s VAL 225 CO -0.09 0.56 0.19 -0.54 0.00 0.00 0.00 175.10 175.23 1i78 s LYS 226 N -0.09 2.44 -1.44 2.72 1.02 -1.26 -1.54 119.74 121.59 1i78 s LYS 226 Ca -0.05 -1.52 -0.08 0.00 0.02 0.00 0.00 55.97 54.34 1i78 s LYS 226 Cb -0.14 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1i78 s LYS 226 CO 0.04 0.07 0.23 -0.25 -0.92 0.00 0.00 175.35 174.52 1i78 n ASP 227 N -1.23 -0.50 -4.89 2.83 10.43 -1.11 -4.92 116.55 117.16 1i78 n ASP 227 Ca -0.02 -1.24 -0.32 0.00 2.57 0.00 0.00 54.79 55.79 1i78 n ASP 227 Cb 0.61 -1.89 -0.05 0.00 1.84 0.00 0.00 41.12 41.64 1i78 n ASP 227 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1i78 s GLN 228 N -7.23 3.65 0.31 -1.24 0.74 -0.54 -4.65 119.66 110.69 1i78 s GLN 228 Ca 0.12 -0.02 -0.18 0.00 0.05 0.00 0.00 55.36 55.32 1i78 s GLN 228 Cb -0.06 -2.83 -0.09 0.00 1.10 0.00 0.00 33.01 31.12 1i78 s GLN 228 CO 0.97 0.45 0.78 -0.80 -0.55 0.00 0.00 175.29 176.15 1i78 s ASN 229 N -2.38 6.94 -0.11 6.67 -0.87 -1.26 -0.96 114.94 122.98 1i78 s ASN 229 Ca 0.41 1.43 -0.13 0.00 -1.57 0.00 0.00 52.86 53.01 1i78 s ASN 229 Cb -0.12 -2.43 0.03 0.00 -0.02 0.00 0.00 41.25 38.71 1i78 s ASN 229 CO 0.24 -0.14 0.34 -0.47 -2.57 0.00 0.00 177.10 174.49 1i78 s TYR 230 N -1.84 -0.34 0.05 2.20 5.04 -0.02 -2.52 117.35 119.93 1i78 s TYR 230 Ca 0.52 0.79 0.02 0.00 -2.44 0.00 0.00 57.07 55.95 1i78 s TYR 230 Cb -0.13 0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.28 1i78 s TYR 230 CO 0.18 -0.22 -0.07 0.71 -1.34 0.00 0.00 175.55 174.81 1i78 s TYR 231 N -0.13 0.69 -0.18 4.97 1.51 -1.08 -1.77 117.35 121.37 1i78 s TYR 231 Ca -0.03 -0.59 -0.14 0.00 -1.01 0.00 0.00 57.07 55.30 1i78 s TYR 231 Cb -0.03 -0.42 0.05 0.00 -0.11 0.00 0.00 41.96 41.46 1i78 s TYR 231 CO 0.01 -0.11 0.46 0.45 -1.11 0.00 0.00 175.55 175.26 1i78 s SER 232 N -1.88 -0.52 -0.03 2.29 0.15 -0.68 -2.29 113.70 110.74 1i78 s SER 232 Ca -0.06 0.96 0.01 0.00 0.70 0.00 0.00 55.95 57.56 1i78 s SER 232 Cb -0.07 0.93 0.02 0.00 -1.71 0.00 0.00 66.02 65.19 1i78 s SER 232 CO -0.01 -0.17 -0.04 -0.69 1.20 0.00 0.00 173.24 173.52 1i78 s VAL 233 N 0.61 0.48 -0.01 4.45 1.01 -0.10 -1.61 120.40 125.23 1i78 s VAL 233 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1i78 s VAL 233 Cb -0.05 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.85 1i78 s VAL 233 CO -0.04 0.20 0.03 0.00 0.00 0.00 0.00 175.10 175.28 1i78 s ALA 234 N 0.68 -0.05 0.03 5.51 0.00 -0.31 -1.12 121.76 126.49 1i78 s ALA 234 Ca -0.09 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1i78 s ALA 234 Cb -0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1i78 s ALA 234 CO -0.00 -0.03 -0.08 0.14 0.00 0.00 0.00 175.76 175.79 1i78 s VAL 235 N 0.17 0.61 0.04 0.00 -7.23 -0.87 -0.63 120.40 112.48 1i78 s VAL 235 Ca -0.01 -0.77 -0.04 0.00 -1.81 0.00 0.00 61.98 59.35 1i78 s VAL 235 Cb -0.02 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 1i78 s VAL 235 CO -0.00 -0.13 0.05 0.54 -0.31 0.00 0.00 175.10 175.25 1i78 s ASN 236 N -0.99 0.24 -0.06 4.85 4.22 -0.82 -1.76 114.94 120.62 1i78 s ASN 236 Ca -0.04 -0.61 -0.06 0.00 -2.14 0.00 0.00 52.86 50.01 1i78 s ASN 236 Cb -0.07 0.20 0.02 0.00 1.28 0.00 0.00 41.25 42.68 1i78 s ASN 236 CO 0.00 -0.49 0.18 0.00 -2.04 0.00 0.00 177.10 174.75 1i78 s ALA 237 N -2.66 -0.43 0.16 3.54 0.00 -0.79 -1.89 121.76 119.69 1i78 s ALA 237 Ca -0.05 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 1i78 s ALA 237 Cb -0.01 -0.24 0.08 0.00 0.00 0.00 0.00 23.12 22.95 1i78 s ALA 237 CO -0.05 -0.10 1.07 0.20 0.00 0.00 0.00 175.76 176.88 1i78 s GLY 238 N -0.10 0.10 0.09 0.00 0.00 -1.05 -0.76 107.32 105.60 1i78 s GLY 238 Ca -0.02 -0.32 0.07 0.00 0.00 0.00 0.00 44.72 44.46 1i78 s GLY 238 CO 0.00 3.06 -0.19 -0.19 0.00 0.00 0.00 173.10 175.78 1i78 s TYR 239 N -2.09 1.67 -0.62 1.90 1.51 -0.31 -1.81 117.35 117.59 1i78 s TYR 239 Ca 0.24 -0.42 -0.21 0.00 -1.01 0.00 0.00 57.07 55.67 1i78 s TYR 239 Cb -0.02 -0.93 0.09 0.00 -0.11 0.00 0.00 41.96 40.99 1i78 s TYR 239 CO 0.05 0.16 0.83 0.71 -1.11 0.00 0.00 175.55 176.18 1i78 s TYR 240 N -1.14 2.84 -0.03 2.71 1.51 0.04 -1.01 117.35 122.27 1i78 s TYR 240 Ca 0.05 -0.77 0.31 0.00 -1.01 0.00 0.00 57.07 55.65 1i78 s TYR 240 Cb -0.10 -4.14 1.33 0.00 -0.11 0.00 0.00 41.96 38.94 1i78 s TYR 240 CO 0.04 -1.46 1.93 -0.39 -1.11 0.00 0.00 175.55 174.55 1i78 h VAL 241 N 5.95 0.00 -3.67 0.71 -1.51 -1.34 -3.44 116.25 112.94 1i78 h VAL 241 Ca -0.29 -0.38 -0.06 0.00 -1.23 0.00 0.00 66.70 64.73 1i78 h VAL 241 Cb 1.08 1.29 -0.10 0.00 -2.13 0.00 0.00 31.29 31.43 1i78 h VAL 241 CO 1.14 0.00 -0.14 0.42 -1.23 0.00 0.00 177.57 177.76 1i78 s THR 242 N -3.60 0.01 0.34 7.19 -4.23 -1.16 -4.99 115.64 109.20 1i78 s THR 242 Ca 0.01 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.24 1i78 s THR 242 Cb 0.09 -2.09 0.31 0.00 1.34 0.00 0.00 72.50 72.15 1i78 s THR 242 CO 0.48 -0.06 1.89 -0.65 -0.54 0.00 0.00 174.62 175.75 1i78 h PRO 243 N 2.30 0.77 -0.01 3.99 0.11 -2.02 -2.58 132.00 134.56 1i78 h PRO 243 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1i78 h PRO 243 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1i78 h PRO 243 CO 0.38 0.51 -0.62 0.09 -0.21 0.00 0.00 178.00 178.15 1i78 n ASN 244 N -4.53 1.22 -4.10 -2.05 4.13 -1.26 -4.94 115.26 103.72 1i78 n ASN 244 Ca 0.15 -1.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.13 1i78 n ASN 244 Cb 0.36 0.55 -0.17 0.00 -1.54 0.00 0.00 39.78 38.98 1i78 n ASN 244 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i78 s ALA 245 N -2.76 1.73 -0.12 5.41 0.00 -0.97 -2.20 121.76 122.86 1i78 s ALA 245 Ca 0.15 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1i78 s ALA 245 Cb 0.17 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1i78 s ALA 245 CO 0.69 0.10 -0.19 0.21 0.00 0.00 0.00 175.76 176.57 1i78 s LYS 246 N 0.67 2.62 -0.17 0.00 2.20 -0.76 -0.87 119.74 123.43 1i78 s LYS 246 Ca -0.13 -0.71 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 1i78 s LYS 246 Cb -0.16 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 1i78 s LYS 246 CO 0.03 0.01 0.08 0.08 -0.36 0.00 0.00 175.35 175.19 1i78 s VAL 247 N 0.78 4.96 0.25 4.02 1.01 -0.18 -0.62 120.40 130.61 1i78 s VAL 247 Ca -0.10 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1i78 s VAL 247 Cb -0.16 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1i78 s VAL 247 CO 0.01 0.49 0.31 -0.72 0.00 0.00 0.00 175.10 175.18 1i78 s TYR 248 N 0.10 0.91 0.16 5.22 -0.85 -0.55 -1.16 117.35 121.17 1i78 s TYR 248 Ca 0.06 -1.16 0.09 0.00 -0.52 0.00 0.00 57.07 55.54 1i78 s TYR 248 Cb -0.12 -0.24 -0.04 0.00 0.38 0.00 0.00 41.96 41.94 1i78 s TYR 248 CO 0.00 -0.85 -0.19 0.08 -1.52 0.00 0.00 175.55 173.07 1i78 s VAL 249 N -3.91 1.82 -0.20 -3.49 1.01 0.06 -0.90 120.40 114.78 1i78 s VAL 249 Ca 0.32 -1.86 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 1i78 s VAL 249 Cb 0.03 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.66 1i78 s VAL 249 CO 0.13 -0.27 0.53 -0.70 0.00 0.00 0.00 175.10 174.79 1i78 s GLU 250 N -2.66 0.58 0.02 2.72 2.12 0.21 -1.88 118.70 119.82 1i78 s GLU 250 Ca 0.14 0.82 0.07 0.00 0.36 0.00 0.00 54.97 56.36 1i78 s GLU 250 Cb -0.06 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.50 1i78 s GLU 250 CO 0.06 -0.10 -0.19 0.20 -0.54 0.00 0.00 175.26 174.69 1i78 s GLY 251 N 0.73 1.52 -0.06 -1.50 0.00 -0.72 -0.03 107.32 107.26 1i78 s GLY 251 Ca -0.04 -1.16 -0.08 0.00 0.00 0.00 0.00 44.72 43.44 1i78 s GLY 251 CO -0.05 -1.02 0.21 0.00 0.00 0.00 0.00 173.10 172.23 1i78 s ALA 252 N -0.85 -0.52 0.01 3.20 0.00 0.44 -2.06 121.76 121.98 1i78 s ALA 252 Ca 0.13 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1i78 s ALA 252 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1i78 s ALA 252 CO 0.03 -0.14 -0.08 -1.58 0.00 0.00 0.00 175.76 174.00 1i78 s TRP 253 N -0.29 0.68 0.08 0.00 0.51 -0.28 -0.07 118.94 119.57 1i78 s TRP 253 Ca -0.04 -0.21 -0.18 0.00 -2.12 0.00 0.00 56.10 53.55 1i78 s TRP 253 Cb -0.03 -0.43 0.04 0.00 -0.81 0.00 0.00 33.47 32.24 1i78 s TRP 253 CO 0.01 -0.02 0.43 0.54 -0.51 0.00 0.00 176.95 177.40 1i78 s ASN 254 N -0.53 -0.30 0.15 2.95 4.22 -0.73 -0.92 114.94 119.77 1i78 s ASN 254 Ca 0.00 -0.08 -0.15 0.00 -2.14 0.00 0.00 52.86 50.49 1i78 s ASN 254 Cb -0.05 0.46 0.03 0.00 1.28 0.00 0.00 41.25 42.97 1i78 s ASN 254 CO 0.00 -0.75 0.41 0.00 -2.04 0.00 0.00 177.10 174.72 1i78 s ARG 255 N -2.99 1.17 -0.22 3.55 1.70 -0.97 -0.98 118.95 120.22 1i78 s ARG 255 Ca -0.02 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 54.40 1i78 s ARG 255 Cb 0.00 0.47 0.06 0.00 -0.57 0.00 0.00 34.95 34.91 1i78 s ARG 255 CO -0.06 -0.46 -0.00 0.08 -1.08 0.00 0.00 175.30 173.77 1i78 s VAL 256 N -3.85 0.99 0.52 4.99 1.01 -1.03 -2.62 120.40 120.42 1i78 s VAL 256 Ca 0.07 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1i78 s VAL 256 Cb 0.01 -1.41 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 1i78 s VAL 256 CO -0.07 -0.19 1.17 0.41 0.00 0.00 0.00 175.10 176.41 1i78 n THR 257 N 4.87 3.32 -2.22 3.92 -1.04 -1.05 -2.50 114.28 119.59 1i78 n THR 257 Ca -0.10 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.08 1i78 n THR 257 Cb 0.45 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.55 1i78 n THR 257 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1i78 s ASN 258 N -0.91 6.00 -0.26 8.00 2.47 -1.26 -4.65 114.94 124.34 1i78 s ASN 258 Ca 0.69 1.84 -0.26 0.00 0.42 0.00 0.00 52.86 55.56 1i78 s ASN 258 Cb -0.46 -2.54 0.11 0.00 -1.45 0.00 0.00 41.25 36.91 1i78 s ASN 258 CO 0.51 -1.02 0.96 -0.75 -3.72 0.00 0.00 177.10 173.08 1i78 s LYS 259 N -3.81 0.60 0.61 0.43 2.20 -1.25 -5.01 119.74 113.51 1i78 s LYS 259 Ca 0.65 0.61 -0.18 0.00 -0.36 0.00 0.00 55.97 56.69 1i78 s LYS 259 Cb -0.16 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.43 1i78 s LYS 259 CO 0.31 -0.09 1.15 0.15 -0.36 0.00 0.00 175.35 176.52 1i78 s LYS 260 N 0.06 2.96 0.02 4.03 1.02 -1.26 -3.92 119.74 122.65 1i78 s LYS 260 Ca 0.01 1.63 0.00 0.00 0.02 0.00 0.00 55.97 57.63 1i78 s LYS 260 Cb -0.04 -1.95 -0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1i78 s LYS 260 CO -0.03 -1.17 0.03 0.41 -0.92 0.00 0.00 175.35 173.67 1i78 n GLY 261 N 0.10 3.30 3.57 -3.33 0.00 0.16 -4.63 105.19 104.36 1i78 n GLY 261 Ca 0.12 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1i78 n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i78 s ASN 262 N -1.15 4.77 0.39 1.61 0.01 -0.43 -1.01 114.94 119.15 1i78 s ASN 262 Ca 0.02 -0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.22 1i78 s ASN 262 Cb -0.00 -1.40 -0.07 0.00 0.41 0.00 0.00 41.25 40.19 1i78 s ASN 262 CO 0.02 0.31 0.05 -0.89 -1.51 0.00 0.00 177.10 175.07 1i78 s THR 263 N -0.47 2.20 -0.14 1.60 2.01 -1.00 -1.14 115.64 118.70 1i78 s THR 263 Ca 0.07 -1.93 -0.15 0.00 0.31 0.00 0.00 61.69 59.99 1i78 s THR 263 Cb -0.12 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.49 1i78 s THR 263 CO 0.02 -0.05 0.42 -0.94 -0.69 0.00 0.00 174.62 173.38 1i78 s SER 264 N -3.76 -0.42 0.23 3.53 1.04 -0.11 -1.13 113.70 113.08 1i78 s SER 264 Ca 0.36 0.78 0.04 0.00 0.48 0.00 0.00 55.95 57.61 1i78 s SER 264 Cb 0.06 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.95 1i78 s SER 264 CO 0.19 -0.19 0.35 -0.76 0.98 0.00 0.00 173.24 173.82 1i78 s LEU 265 N 0.04 4.31 -0.31 2.42 2.01 0.18 -2.07 118.68 125.27 1i78 s LEU 265 Ca -0.02 0.11 0.17 0.00 0.01 0.00 0.00 54.13 54.41 1i78 s LEU 265 Cb -0.03 -2.89 0.46 0.00 0.01 0.00 0.00 46.19 43.74 1i78 s LEU 265 CO 0.01 -0.05 1.24 -1.22 1.01 0.00 0.00 176.35 177.34 1i78 n TYR 266 N -1.25 -0.21 -1.37 0.29 0.53 -0.80 -2.71 117.16 111.65 1i78 n TYR 266 Ca -0.08 -2.10 -0.53 0.00 -1.02 0.00 0.00 57.90 54.16 1i78 n TYR 266 Cb 0.56 0.50 -0.08 0.00 -1.03 0.00 0.00 39.34 39.30 1i78 n TYR 266 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 1i78 n ASP 267 N -0.79 0.94 0.06 7.72 -0.08 -1.14 -4.32 116.55 118.95 1i78 n ASP 267 Ca -0.01 0.92 -0.07 0.00 -1.51 0.00 0.00 54.79 54.12 1i78 n ASP 267 Cb 0.83 -0.70 -0.10 0.00 2.34 0.00 0.00 41.12 43.50 1i78 n ASP 267 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1i78 h HIS 268 N 4.08 0.00 0.27 -0.67 3.86 -1.61 -2.99 115.15 118.09 1i78 h HIS 268 Ca -0.34 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.86 1i78 h HIS 268 Cb 1.08 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1i78 h HIS 268 CO 0.52 0.98 -0.13 -0.91 0.86 0.00 0.00 177.93 179.25 1i78 h ASN 269 N 0.00 -0.31 -0.88 2.45 -0.26 -1.89 -3.30 115.58 111.39 1i78 h ASN 269 Ca -0.01 0.01 -0.59 0.00 -0.56 0.00 0.00 56.30 55.15 1i78 h ASN 269 Cb 1.73 0.08 -0.26 0.00 -1.06 0.00 0.00 38.32 38.81 1i78 h ASN 269 CO 0.13 -0.19 0.76 0.59 -1.06 0.00 0.00 177.43 177.66 1i78 n ASN 270 N -3.16 7.12 -2.60 5.81 3.02 -1.26 -4.93 115.26 119.27 1i78 n ASN 270 Ca -0.05 -3.61 0.00 0.00 -0.03 0.00 0.00 54.58 50.90 1i78 n ASN 270 Cb 0.14 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 1i78 n ASN 270 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i78 n ASN 271 N -0.66 0.00 -3.78 6.41 4.05 -1.14 -4.84 115.26 115.30 1i78 n ASN 271 Ca 0.55 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 55.36 1i78 n ASN 271 Cb 0.72 0.00 -0.17 0.00 1.23 0.00 0.00 39.78 41.55 1i78 n ASN 271 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1i78 s THR 272 N -3.34 0.38 0.21 -0.44 -1.32 -1.17 -5.02 115.64 104.93 1i78 s THR 272 Ca 0.00 0.10 0.05 0.00 -1.21 0.00 0.00 61.69 60.63 1i78 s THR 272 Cb 0.00 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1i78 s THR 272 CO 0.00 0.25 0.27 -0.94 -2.21 0.00 0.00 174.62 171.99 1i78 s SER 273 N 1.84 6.03 -0.11 8.08 1.04 -1.26 -2.90 113.70 126.41 1i78 s SER 273 Ca 0.03 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.40 1i78 s SER 273 Cb -0.12 -1.71 0.05 0.00 0.10 0.00 0.00 66.02 64.34 1i78 s SER 273 CO -0.05 -0.01 0.25 -0.62 0.98 0.00 0.00 173.24 173.80 1i78 s ASP 274 N -3.63 -0.10 -0.11 7.02 3.68 -1.10 -4.91 116.67 117.52 1i78 s ASP 274 Ca 0.33 0.55 -0.08 0.00 2.13 0.00 0.00 52.55 55.48 1i78 s ASP 274 Cb -0.09 0.49 -0.04 0.00 -1.45 0.00 0.00 42.92 41.82 1i78 s ASP 274 CO 0.27 -0.19 0.18 -0.47 0.13 0.00 0.00 175.17 175.10 1i78 s TYR 275 N 1.57 3.61 -0.22 -5.34 5.04 -1.26 0.51 117.35 121.25 1i78 s TYR 275 Ca -0.07 0.59 -0.03 0.00 -2.44 0.00 0.00 57.07 55.12 1i78 s TYR 275 Cb -0.11 -2.01 0.10 0.00 0.35 0.00 0.00 41.96 40.29 1i78 s TYR 275 CO -0.09 0.70 0.21 -1.54 -1.34 0.00 0.00 175.55 173.50 1i78 s SER 276 N -0.95 1.73 0.41 4.32 1.04 -0.28 -4.99 113.70 114.98 1i78 s SER 276 Ca 0.16 -0.46 -0.26 0.00 0.48 0.00 0.00 55.95 55.87 1i78 s SER 276 Cb -0.13 0.27 -0.09 0.00 0.10 0.00 0.00 66.02 66.18 1i78 s SER 276 CO 0.05 -0.35 1.35 -0.54 0.98 0.00 0.00 173.24 174.73 1i78 s LYS 277 N 2.29 3.94 -1.27 4.02 1.02 -1.26 -2.38 119.74 126.11 1i78 s LYS 277 Ca 0.07 2.25 -0.05 0.00 0.02 0.00 0.00 55.97 58.26 1i78 s LYS 277 Cb -0.15 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1i78 s LYS 277 CO -0.18 -0.55 0.35 0.09 -0.92 0.00 0.00 175.35 174.14 1i78 n ASN 278 N 0.13 -4.24 0.04 2.83 5.03 -0.93 -4.72 115.26 113.40 1i78 n ASN 278 Ca 0.04 -0.18 0.11 0.00 0.87 0.00 0.00 54.58 55.41 1i78 n ASN 278 Cb 0.43 -3.52 -0.02 0.00 -1.02 0.00 0.00 39.78 35.65 1i78 n ASN 278 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i78 n GLY 279 N -1.12 -1.22 3.66 7.41 0.00 -0.18 -4.64 105.19 109.10 1i78 n GLY 279 Ca -0.08 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1i78 n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i78 s ALA 280 N -3.30 3.31 -0.05 4.61 0.00 -0.85 0.13 121.76 125.61 1i78 s ALA 280 Ca 0.00 -2.08 -0.06 0.00 0.00 0.00 0.00 51.96 49.83 1i78 s ALA 280 Cb 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1i78 s ALA 280 CO 0.82 -0.04 0.16 0.20 0.00 0.00 0.00 175.76 176.90 1i78 s GLY 281 N -3.77 -0.10 -0.01 0.00 0.00 0.19 -0.66 107.32 102.96 1i78 s GLY 281 Ca 0.37 0.37 -0.01 0.00 0.00 0.00 0.00 44.72 45.45 1i78 s GLY 281 CO 0.20 0.29 0.03 -0.42 0.00 0.00 0.00 173.10 173.20 1i78 s ILE 282 N -0.12 -0.02 -0.20 0.90 1.01 -1.25 -1.05 121.20 120.47 1i78 s ILE 282 Ca -0.02 0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 1i78 s ILE 282 Cb -0.02 -0.06 0.10 0.00 0.01 0.00 0.00 42.46 42.49 1i78 s ILE 282 CO 0.00 0.03 0.85 -0.70 0.00 0.00 0.00 174.94 175.12 1i78 s GLU 283 N 0.35 0.75 0.18 2.79 2.12 -0.91 -3.81 118.70 120.18 1i78 s GLU 283 Ca -0.03 0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.84 1i78 s GLU 283 Cb -0.04 0.36 -0.00 0.00 0.26 0.00 0.00 34.13 34.71 1i78 s GLU 283 CO -0.01 -0.16 0.23 0.27 -0.54 0.00 0.00 175.26 175.04 1i78 n ASN 284 N 1.72 -0.62 -3.63 -1.70 0.23 -1.04 0.26 115.26 110.48 1i78 n ASN 284 Ca -0.14 -2.04 -0.11 0.00 -0.53 0.00 0.00 54.58 51.77 1i78 n ASN 284 Cb 0.56 1.20 -0.07 0.00 -2.08 0.00 0.00 39.78 39.40 1i78 n ASN 284 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1i78 s TYR 285 N -3.57 -0.56 0.01 -2.53 5.04 -0.26 -2.46 117.35 113.02 1i78 s TYR 285 Ca 0.17 1.35 -0.08 0.00 -2.44 0.00 0.00 57.07 56.07 1i78 s TYR 285 Cb -0.00 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.65 1i78 s TYR 285 CO 0.12 -0.28 0.14 -0.80 -1.34 0.00 0.00 175.55 173.40 1i78 s ASN 286 N 0.20 0.04 -0.04 4.32 -0.87 -0.15 -1.22 114.94 117.22 1i78 s ASN 286 Ca 0.02 -0.25 0.03 0.00 -1.57 0.00 0.00 52.86 51.09 1i78 s ASN 286 Cb -0.05 0.22 0.01 0.00 -0.02 0.00 0.00 41.25 41.41 1i78 s ASN 286 CO -0.04 -0.41 -0.12 0.12 -2.57 0.00 0.00 177.10 174.09 1i78 s PHE 287 N -1.62 1.31 -0.13 2.20 5.99 0.23 -1.78 117.98 124.17 1i78 s PHE 287 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 56.93 56.41 1i78 s PHE 287 Cb -0.06 -0.93 0.02 0.00 0.00 0.00 0.00 43.02 42.05 1i78 s PHE 287 CO 0.01 -0.18 -0.13 0.42 -0.00 0.00 0.00 175.22 175.34 1i78 s ILE 288 N 0.35 1.41 -0.14 3.12 1.01 0.89 -1.19 121.20 126.65 1i78 s ILE 288 Ca -0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1i78 s ILE 288 Cb -0.12 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1i78 s ILE 288 CO 0.02 0.43 -0.10 -0.89 0.00 0.00 0.00 174.94 174.40 1i78 s THR 289 N 1.43 3.26 0.08 2.92 2.01 -0.91 -0.42 115.64 124.00 1i78 s THR 289 Ca 0.02 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 1i78 s THR 289 Cb -0.13 -2.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.98 1i78 s THR 289 CO -0.08 0.51 0.19 -0.89 -0.69 0.00 0.00 174.62 173.65 1i78 s THR 290 N 0.46 0.14 -0.02 -0.82 2.01 0.95 -1.22 115.64 117.15 1i78 s THR 290 Ca -0.08 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 60.81 1i78 s THR 290 Cb -0.15 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.13 1i78 s THR 290 CO 0.04 -0.62 -0.01 0.00 -0.69 0.00 0.00 174.62 173.34 1i78 s ALA 291 N -3.55 0.25 0.14 7.40 0.00 -0.44 0.68 121.76 126.24 1i78 s ALA 291 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1i78 s ALA 291 Cb 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1i78 s ALA 291 CO -0.09 -0.02 0.23 0.41 0.00 0.00 0.00 175.76 176.28 1i78 n GLY 292 N 3.69 2.42 3.06 0.00 0.00 -0.08 -1.17 105.19 113.11 1i78 n GLY 292 Ca -0.21 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1i78 n GLY 292 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i78 s LEU 293 N 0.00 1.73 -0.20 0.99 1.98 -0.24 -1.48 118.68 121.45 1i78 s LEU 293 Ca 0.10 -0.36 0.01 0.00 -2.89 0.00 0.00 54.13 50.99 1i78 s LEU 293 Cb -0.01 -0.96 0.03 0.00 0.66 0.00 0.00 46.19 45.91 1i78 s LEU 293 CO 0.07 0.05 -0.17 -0.75 -1.89 0.00 0.00 176.35 173.66 1i78 s LYS 294 N 0.66 2.78 -0.15 1.98 2.20 0.21 -2.15 119.74 125.27 1i78 s LYS 294 Ca -0.14 -0.98 -0.00 0.00 -0.36 0.00 0.00 55.97 54.49 1i78 s LYS 294 Cb -0.16 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 1i78 s LYS 294 CO 0.04 -0.31 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.12 1i78 s TYR 295 N 1.24 2.82 -0.23 4.03 5.04 -0.41 -1.82 117.35 128.01 1i78 s TYR 295 Ca 0.01 -0.79 -0.06 0.00 -2.44 0.00 0.00 57.07 53.79 1i78 s TYR 295 Cb -0.15 -1.88 -0.02 0.00 0.35 0.00 0.00 41.96 40.25 1i78 s TYR 295 CO -0.11 -0.32 0.03 0.95 -1.34 0.00 0.00 175.55 174.76 1i78 s THR 296 N 0.60 4.02 -2.05 4.34 -4.23 -0.93 -0.57 115.64 116.82 1i78 s THR 296 Ca -0.08 -0.27 0.32 0.00 -1.18 0.00 0.00 61.69 60.48 1i78 s THR 296 Cb -0.16 -2.86 0.87 0.00 1.34 0.00 0.00 72.50 71.70 1i78 s THR 296 CO 0.03 0.38 2.18 0.49 -0.54 0.00 0.00 174.62 177.16