#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3i s PRO 9 N 0.00 2.69 0.27 0.52 0.04 -1.26 -4.69 135.00 132.56 3m3i s PRO 9 Ca 0.00 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 60.78 3m3i s PRO 9 Cb 0.00 -2.18 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 3m3i s PRO 9 CO 0.00 -0.94 1.01 0.00 0.04 0.00 0.00 177.00 177.11 3m3i n GLN 10 N -2.78 1.27 -2.32 4.56 10.64 -1.26 -3.26 117.38 124.22 3m3i n GLN 10 Ca 0.06 0.45 -0.12 0.00 -1.83 0.00 0.00 57.00 55.55 3m3i n GLN 10 Cb 0.58 -1.82 -0.00 0.00 -0.86 0.00 0.00 30.24 28.15 3m3i n GLN 10 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3m3i n ASN 11 N 1.38 -3.93 -4.59 2.61 3.02 -1.26 -5.04 115.26 107.46 3m3i n ASN 11 Ca 0.11 -0.04 -0.26 0.00 -0.03 0.00 0.00 54.58 54.35 3m3i n ASN 11 Cb 0.31 -3.07 -0.09 0.00 -0.61 0.00 0.00 39.78 36.31 3m3i n ASN 11 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3m3i s THR 12 N -2.66 3.30 0.16 3.41 -4.23 -1.20 -4.95 115.64 109.47 3m3i s THR 12 Ca 0.03 -1.63 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 3m3i s THR 12 Cb -0.01 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.20 3m3i s THR 12 CO 0.04 -0.13 1.57 0.00 -0.54 0.00 0.00 174.62 175.57 3m3i h ALA 13 N 2.81 -0.35 0.00 3.99 0.00 -1.91 -2.07 119.26 121.73 3m3i h ALA 13 Ca -0.47 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3m3i h ALA 13 Cb 1.21 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 3m3i h ALA 13 CO 0.55 -0.83 -0.20 0.93 0.00 0.00 0.00 179.25 179.70 3m3i h GLU 14 N -0.25 0.00 -0.42 0.00 4.39 -1.96 -0.73 114.58 115.61 3m3i h GLU 14 Ca 0.17 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.94 3m3i h GLU 14 Cb 0.57 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 3m3i h GLU 14 CO -0.66 0.20 0.03 0.35 -1.16 0.00 0.00 179.01 177.78 3m3i h PHE 15 N 0.00 0.03 0.11 4.33 3.04 -1.62 -1.15 116.94 121.67 3m3i h PHE 15 Ca -0.00 0.03 -0.27 0.00 3.98 0.00 0.00 57.97 61.71 3m3i h PHE 15 Cb 0.39 0.05 0.01 0.00 2.56 0.00 0.00 35.95 38.96 3m3i h PHE 15 CO 0.00 -0.05 -1.19 -1.49 -2.02 0.00 0.00 178.31 173.56 3m3i h TRP 16 N 0.14 0.64 -0.66 0.41 4.06 -0.97 -1.38 115.95 118.19 3m3i h TRP 16 Ca 0.21 -0.43 -0.02 0.00 2.06 0.00 0.00 58.89 60.71 3m3i h TRP 16 Cb 0.28 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 3m3i h TRP 16 CO -0.25 1.30 0.32 0.82 -3.56 0.00 0.00 178.44 177.07 3m3i h ILE 17 N 0.15 1.22 0.18 1.49 2.04 -1.40 -0.81 117.51 120.39 3m3i h ILE 17 Ca -0.14 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3m3i h ILE 17 Cb 1.88 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3m3i h ILE 17 CO 0.21 0.25 -0.09 0.50 0.00 0.00 0.00 178.15 179.02 3m3i h LYS 18 N 0.91 -0.24 0.00 2.37 3.64 -1.21 -1.20 116.57 120.84 3m3i h LYS 18 Ca 0.23 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.49 3m3i h LYS 18 Cb 0.11 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3m3i h LYS 18 CO -0.03 0.13 -0.65 0.00 -2.27 0.00 0.00 179.45 176.63 3m3i h ARG 19 N -0.65 0.00 -0.13 1.90 3.08 -1.29 -2.99 114.38 114.30 3m3i h ARG 19 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3m3i h ARG 19 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3m3i h ARG 19 CO 0.04 0.65 0.00 1.28 -1.07 0.00 0.00 179.97 180.87 3m3i n LEU 20 N -3.42 3.10 -3.54 3.04 4.77 -0.31 -4.98 117.00 115.67 3m3i n LEU 20 Ca 0.00 -1.13 -0.21 0.00 -0.03 0.00 0.00 56.01 54.65 3m3i n LEU 20 Cb 0.73 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.83 3m3i n LEU 20 CO 0.42 0.56 0.16 0.00 -1.33 0.00 0.00 177.39 177.21 3m3i n GLN 21 N 1.36 -7.11 -2.45 3.23 6.02 -0.92 -4.79 117.38 112.73 3m3i n GLN 21 Ca 0.16 0.82 -0.42 0.00 -0.01 0.00 0.00 57.00 57.55 3m3i n GLN 21 Cb 0.60 -5.83 -0.03 0.00 1.02 0.00 0.00 30.24 25.99 3m3i n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m3i s LEU 22 N -6.84 4.41 0.25 1.08 1.43 -0.50 -4.73 118.68 113.79 3m3i s LEU 22 Ca 0.29 2.05 0.12 0.00 -1.03 0.00 0.00 54.13 55.56 3m3i s LEU 22 Cb -0.13 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 3m3i s LEU 22 CO 0.74 -0.39 -0.21 0.68 0.23 0.00 0.00 176.35 177.40 3m3i s VAL 23 N 0.58 2.41 0.26 -1.59 -7.23 0.36 -4.81 120.40 110.38 3m3i s VAL 23 Ca 0.55 -2.29 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 3m3i s VAL 23 Cb -0.30 -2.23 -0.11 0.00 0.56 0.00 0.00 36.38 34.30 3m3i s VAL 23 CO 0.32 -0.32 1.59 -2.84 -0.31 0.00 0.00 175.10 173.54 3m3i s PRO 24 N -3.25 4.15 0.07 4.82 0.02 -1.26 -0.58 135.00 138.95 3m3i s PRO 24 Ca 0.27 2.53 -0.09 0.00 0.02 0.00 0.00 61.00 63.74 3m3i s PRO 24 Cb -0.06 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 3m3i s PRO 24 CO 0.13 -0.62 0.36 -1.58 -0.33 0.00 0.00 177.00 174.96 3m3i s HIS 25 N 0.27 3.57 0.28 6.54 2.46 -0.74 -4.84 115.29 122.84 3m3i s HIS 25 Ca 0.65 0.71 0.02 0.00 0.47 0.00 0.00 55.06 56.92 3m3i s HIS 25 Cb -0.47 -2.10 0.64 0.00 -0.13 0.00 0.00 32.58 30.52 3m3i s HIS 25 CO 0.43 0.54 1.75 -1.35 -2.47 0.00 0.00 174.74 173.64 3m3i h PRO 26 N 3.71 0.57 0.00 2.88 0.11 -1.95 -0.60 132.00 136.71 3m3i h PRO 26 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3m3i h PRO 26 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3m3i h PRO 26 CO 0.67 0.38 -0.11 1.05 -0.21 0.00 0.00 178.00 179.78 3m3i h GLU 27 N 0.59 0.00 0.00 1.05 4.11 -1.95 -3.50 114.58 114.88 3m3i h GLU 27 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 3m3i h GLU 27 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3m3i h GLU 27 CO -0.42 0.11 0.00 0.41 0.07 0.00 0.00 179.01 179.18 3m3i n GLY 28 N -0.25 2.85 6.37 1.06 0.00 -0.23 -0.94 105.19 114.05 3m3i n GLY 28 Ca -0.01 -2.00 0.01 0.00 0.00 0.00 0.00 46.02 44.03 3m3i n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3i n GLY 29 N -1.33 -1.56 3.29 -0.02 0.00 -1.16 -4.27 105.19 100.14 3m3i n GLY 29 Ca 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 3m3i n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m3i s TYR 30 N -0.16 1.83 0.26 1.61 1.51 0.09 -1.79 117.35 120.70 3m3i s TYR 30 Ca 0.00 -0.41 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 3m3i s TYR 30 Cb 0.00 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 3m3i s TYR 30 CO 0.00 0.21 0.54 1.52 -1.11 0.00 0.00 175.55 176.70 3m3i s TYR 31 N -1.13 0.29 -0.16 2.71 -0.85 0.25 -0.57 117.35 117.88 3m3i s TYR 31 Ca 0.07 -0.67 -0.11 0.00 -0.52 0.00 0.00 57.07 55.84 3m3i s TYR 31 Cb -0.10 0.30 0.05 0.00 0.38 0.00 0.00 41.96 42.59 3m3i s TYR 31 CO 0.04 -1.07 0.41 -1.54 -1.52 0.00 0.00 175.55 171.87 3m3i s SER 32 N -3.01 -0.49 0.20 -0.18 1.04 -0.70 -0.49 113.70 110.07 3m3i s SER 32 Ca 0.20 0.87 -0.30 0.00 0.48 0.00 0.00 55.95 57.20 3m3i s SER 32 Cb -0.02 0.79 -0.09 0.00 0.10 0.00 0.00 66.02 66.80 3m3i s SER 32 CO 0.09 -0.18 1.34 -1.61 0.98 0.00 0.00 173.24 173.86 3m3i s GLU 33 N 1.04 4.36 -0.01 4.02 2.02 -1.26 -2.15 118.70 126.72 3m3i s GLU 33 Ca -0.07 2.10 -0.02 0.00 0.02 0.00 0.00 54.97 57.00 3m3i s GLU 33 Cb -0.07 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 3m3i s GLU 33 CO -0.09 -0.29 -0.04 0.28 0.02 0.00 0.00 175.26 175.14 3m3i n VAL 34 N 2.67 0.24 -4.17 2.63 0.31 -0.98 -4.95 118.33 114.09 3m3i n VAL 34 Ca 0.07 0.31 -0.16 0.00 -0.01 0.00 0.00 64.34 64.54 3m3i n VAL 34 Cb 0.42 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.79 3m3i n VAL 34 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3m3i s VAL 35 N -1.27 1.00 -0.10 2.52 -7.23 -1.26 -5.01 120.40 109.05 3m3i s VAL 35 Ca -0.03 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3m3i s VAL 35 Cb 0.00 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.77 3m3i s VAL 35 CO 0.05 -0.41 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.16 3m3i s ARG 36 N -2.28 2.08 0.24 4.82 0.52 -1.26 -0.85 118.95 122.22 3m3i s ARG 36 Ca 0.02 -0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 3m3i s ARG 36 Cb -0.06 -1.77 -0.14 0.00 0.52 0.00 0.00 34.95 33.49 3m3i s ARG 36 CO 0.01 -0.05 1.18 0.45 0.02 0.00 0.00 175.30 176.91 3m3i n SER 37 N 4.14 1.76 0.02 0.23 2.88 -0.17 -4.90 113.62 117.58 3m3i n SER 37 Ca -0.19 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.49 3m3i n SER 37 Cb 0.51 -1.31 0.25 0.00 -0.75 0.00 0.00 64.21 62.92 3m3i n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m3i h ALA 38 N 3.07 1.24 -2.59 -1.46 0.00 -2.00 -3.41 119.26 114.11 3m3i h ALA 38 Ca -0.43 -0.28 -0.48 0.00 0.00 0.00 0.00 54.91 53.72 3m3i h ALA 38 Cb 1.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3m3i h ALA 38 CO 0.68 0.50 0.38 -1.58 0.00 0.00 0.00 179.25 179.22 3m3i s HIS 39 N -4.68 3.68 0.12 0.00 5.65 -1.26 -4.96 115.29 113.84 3m3i s HIS 39 Ca -0.07 1.78 0.07 0.00 0.25 0.00 0.00 55.06 57.09 3m3i s HIS 39 Cb 0.14 -3.02 -0.04 0.00 -1.18 0.00 0.00 32.58 28.48 3m3i s HIS 39 CO 0.77 0.02 -0.06 0.15 -0.65 0.00 0.00 174.74 174.98 3m3i s LYS 40 N -1.82 2.27 0.12 2.88 -0.14 -1.26 -1.09 119.74 120.69 3m3i s LYS 40 Ca 0.48 -1.01 -0.08 0.00 -1.36 0.00 0.00 55.97 54.00 3m3i s LYS 40 Cb -0.23 -2.36 -0.01 0.00 -1.68 0.00 0.00 37.83 33.56 3m3i s LYS 40 CO 0.29 0.50 0.22 0.14 -0.76 0.00 0.00 175.35 175.74 3m3i s VAL 41 N -1.36 0.11 0.09 3.17 -7.23 0.56 -4.79 120.40 110.95 3m3i s VAL 41 Ca 0.24 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 3m3i s VAL 41 Cb -0.11 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 3m3i s VAL 41 CO 0.16 -0.51 0.94 -1.81 -0.31 0.00 0.00 175.10 173.57 3m3i s ASP 42 N -2.91 7.45 0.29 4.85 1.01 -1.26 -1.04 116.67 125.06 3m3i s ASP 42 Ca 0.11 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.10 3m3i s ASP 42 Cb 0.04 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3m3i s ASP 42 CO -0.06 -0.08 0.00 -0.46 0.21 0.00 0.00 175.17 174.78 3m3i n ASN 43 N 2.92 0.00 0.04 0.27 6.94 0.10 -4.85 115.26 120.68 3m3i n ASN 43 Ca 0.02 -0.69 0.10 0.00 -0.02 0.00 0.00 54.58 53.99 3m3i n ASN 43 Cb 0.49 0.00 0.41 0.00 -2.36 0.00 0.00 39.78 38.33 3m3i n ASN 43 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3m3i n GLU 44 N -0.69 0.07 -0.14 -3.83 4.71 -1.26 -1.21 120.64 118.28 3m3i n GLU 44 Ca 0.00 0.25 0.05 0.00 -0.01 0.00 0.00 57.16 57.45 3m3i n GLU 44 Cb 0.00 -1.62 0.12 0.00 -1.01 0.00 0.00 31.44 28.94 3m3i n GLU 44 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3m3i n GLU 45 N -1.74 2.86 -1.04 3.49 1.02 -1.26 -4.99 120.64 118.98 3m3i n GLU 45 Ca 0.04 -1.93 -0.01 0.00 -0.02 0.00 0.00 57.16 55.23 3m3i n GLU 45 Cb 0.23 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 3m3i n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3i n GLY 46 N 0.33 0.51 3.90 0.62 0.00 -0.35 -5.03 105.19 105.16 3m3i n GLY 46 Ca 0.09 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 3m3i n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3m3i s ASN 47 N -2.71 6.48 -0.02 1.61 0.01 -1.26 -4.70 114.94 114.35 3m3i s ASN 47 Ca 0.00 0.55 -0.30 0.00 -0.71 0.00 0.00 52.86 52.40 3m3i s ASN 47 Cb 0.00 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3m3i s ASN 47 CO 0.00 0.12 1.19 -0.13 -1.51 0.00 0.00 177.10 176.78 3m3i s ARG 48 N -2.38 4.38 0.04 -0.60 1.81 -1.26 -0.72 118.95 120.22 3m3i s ARG 48 Ca 0.37 1.69 -0.03 0.00 -1.72 0.00 0.00 55.73 56.03 3m3i s ARG 48 Cb -0.13 -3.50 -0.02 0.00 -0.45 0.00 0.00 34.95 30.85 3m3i s ARG 48 CO 0.23 -0.38 0.04 1.03 -0.68 0.00 0.00 175.30 175.54 3m3i s ARG 49 N 1.87 0.54 0.67 3.54 1.81 -0.20 -4.95 118.95 122.23 3m3i s ARG 49 Ca 0.57 -0.83 -0.17 0.00 -1.72 0.00 0.00 55.73 53.58 3m3i s ARG 49 Cb -0.26 0.20 -0.02 0.00 -0.45 0.00 0.00 34.95 34.42 3m3i s ARG 49 CO 0.24 -0.12 0.93 0.72 -0.68 0.00 0.00 175.30 176.39 3m3i n HIS 50 N 0.78 0.62 -0.25 -0.53 8.25 -1.26 -0.32 115.22 122.50 3m3i n HIS 50 Ca -0.19 0.41 -0.01 0.00 -0.26 0.00 0.00 57.72 57.67 3m3i n HIS 50 Cb 0.58 -2.09 0.11 0.00 1.12 0.00 0.00 29.99 29.71 3m3i n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m3i h ALA 51 N 0.05 0.98 -2.51 -1.41 0.00 -1.34 0.29 119.26 115.32 3m3i h ALA 51 Ca -0.48 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3m3i h ALA 51 Cb 1.35 -0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 3m3i h ALA 51 CO 0.48 0.10 -0.22 1.52 0.00 0.00 0.00 179.25 181.14 3m3i s TYR 52 N -6.08 -0.18 0.06 0.00 -0.85 -1.26 -3.44 117.35 105.59 3m3i s TYR 52 Ca -0.13 0.18 0.06 0.00 -0.52 0.00 0.00 57.07 56.65 3m3i s TYR 52 Cb 0.17 0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.61 3m3i s TYR 52 CO 0.77 -0.47 -0.15 0.95 -1.52 0.00 0.00 175.55 175.12 3m3i s THR 53 N -2.00 1.22 0.17 -3.49 -4.23 -0.74 -1.00 115.64 105.58 3m3i s THR 53 Ca -0.09 -1.22 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 3m3i s THR 53 Cb -0.03 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 3m3i s THR 53 CO 0.00 -0.09 -0.13 0.42 -0.54 0.00 0.00 174.62 174.29 3m3i s THR 54 N -1.07 1.47 0.12 3.99 -4.23 -0.03 -1.42 115.64 114.46 3m3i s THR 54 Ca 0.01 -2.12 -0.09 0.00 -1.18 0.00 0.00 61.69 58.31 3m3i s THR 54 Cb -0.09 -1.93 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 3m3i s THR 54 CO 0.02 -0.65 0.22 0.27 -0.54 0.00 0.00 174.62 173.94 3m3i s ILE 55 N -3.08 0.11 -0.14 2.99 -4.36 0.97 -2.31 121.20 115.38 3m3i s ILE 55 Ca 0.19 -1.27 -0.15 0.00 -0.26 0.00 0.00 60.65 59.16 3m3i s ILE 55 Cb 0.00 -1.55 -0.05 0.00 1.25 0.00 0.00 42.46 42.12 3m3i s ILE 55 CO 0.04 -0.51 0.34 -0.31 0.24 0.00 0.00 174.94 174.74 3m3i s TYR 56 N -3.91 3.49 -0.06 1.37 2.02 -0.92 -1.17 117.35 118.18 3m3i s TYR 56 Ca 0.10 0.70 0.04 0.00 -0.37 0.00 0.00 57.07 57.54 3m3i s TYR 56 Cb 0.04 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 3m3i s TYR 56 CO -0.07 0.26 -0.18 0.12 -1.57 0.00 0.00 175.55 174.11 3m3i s PHE 57 N 0.37 1.85 -0.03 2.71 5.36 -0.15 -1.73 117.98 126.36 3m3i s PHE 57 Ca 0.19 -0.61 0.05 0.00 -0.96 0.00 0.00 56.93 55.60 3m3i s PHE 57 Cb -0.14 -1.26 -0.01 0.00 -0.34 0.00 0.00 43.02 41.27 3m3i s PHE 57 CO 0.06 -0.23 -0.18 -1.17 -1.46 0.00 0.00 175.22 172.24 3m3i s LEU 58 N 0.20 1.97 0.05 6.12 0.20 0.27 -1.33 118.68 126.16 3m3i s LEU 58 Ca -0.09 -0.34 0.08 0.00 0.69 0.00 0.00 54.13 54.48 3m3i s LEU 58 Cb -0.14 -0.95 -0.03 0.00 -0.43 0.00 0.00 46.19 44.65 3m3i s LEU 58 CO 0.04 0.19 -0.23 0.00 -0.29 0.00 0.00 176.35 176.06 3m3i s THR 60 N -0.85 0.57 0.41 0.00 -4.23 -1.22 -1.89 115.64 108.42 3m3i s THR 60 Ca 0.09 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 3m3i s THR 60 Cb -0.09 -1.94 0.25 0.00 1.34 0.00 0.00 72.50 72.05 3m3i s THR 60 CO 0.02 -0.62 2.04 -0.65 -0.54 0.00 0.00 174.62 174.87 3m3i h PRO 61 N 2.83 0.47 -0.00 3.99 0.11 -1.76 -1.03 132.00 136.61 3m3i h PRO 61 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3m3i h PRO 61 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3m3i h PRO 61 CO 0.63 0.35 -0.01 0.39 -0.21 0.00 0.00 178.00 179.14 3m3i n GLU 62 N -4.44 1.08 -3.08 1.05 1.02 -1.26 -4.49 120.64 110.51 3m3i n GLU 62 Ca 0.02 -0.25 -0.20 0.00 -0.02 0.00 0.00 57.16 56.71 3m3i n GLU 62 Cb 0.10 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 3m3i n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3m3i n SER 63 N -0.74 -0.73 -4.76 1.62 2.88 -0.39 -5.03 113.62 106.47 3m3i n SER 63 Ca 0.21 -2.83 -0.30 0.00 -1.33 0.00 0.00 58.87 54.62 3m3i n SER 63 Cb 0.20 0.04 0.12 0.00 -0.75 0.00 0.00 64.21 63.82 3m3i n SER 63 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3m3i s PRO 64 N -0.59 1.55 -0.33 -1.46 0.04 -1.24 -3.07 135.00 129.92 3m3i s PRO 64 Ca 0.34 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.87 3m3i s PRO 64 Cb 0.17 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 3m3i s PRO 64 CO -0.15 -1.99 0.44 0.45 0.04 0.00 0.00 177.00 175.79 3m3i s SER 65 N -3.71 6.27 0.69 6.66 0.15 0.13 -2.99 113.70 120.90 3m3i s SER 65 Ca 0.62 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 57.17 3m3i s SER 65 Cb -0.16 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3m3i s SER 65 CO 0.55 -0.37 1.06 -1.00 1.20 0.00 0.00 173.24 174.68 3m3i s HIS 66 N 2.22 3.25 0.21 3.44 3.76 -0.12 -0.90 115.29 127.16 3m3i s HIS 66 Ca 0.16 1.30 -0.32 0.00 -0.15 0.00 0.00 55.06 56.05 3m3i s HIS 66 Cb -0.16 -2.89 -0.13 0.00 1.11 0.00 0.00 32.58 30.51 3m3i s HIS 66 CO 0.12 -1.15 1.61 1.28 -0.85 0.00 0.00 174.74 175.75 3m3i n LEU 67 N -3.05 3.65 -3.90 0.89 4.77 -0.28 -4.58 117.00 114.50 3m3i n LEU 67 Ca 0.07 1.10 -0.11 0.00 -0.03 0.00 0.00 56.01 57.04 3m3i n LEU 67 Cb 0.54 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 3m3i n LEU 67 CO 0.57 -0.07 0.40 -1.38 -1.33 0.00 0.00 177.39 175.58 3m3i s HIS 68 N 0.69 0.44 -0.05 -1.77 -3.43 -0.78 -3.04 115.29 107.36 3m3i s HIS 68 Ca 0.73 -0.97 -0.05 0.00 -0.80 0.00 0.00 55.06 53.97 3m3i s HIS 68 Cb -0.58 0.52 0.01 0.00 -1.43 0.00 0.00 32.58 31.11 3m3i s HIS 68 CO 0.40 -1.42 0.15 0.50 -2.00 0.00 0.00 174.74 172.36 3m3i s ARG 69 N -2.57 0.20 0.27 -0.38 3.52 0.19 -1.31 118.95 118.87 3m3i s ARG 69 Ca 0.21 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.98 3m3i s ARG 69 Cb -0.04 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.46 3m3i s ARG 69 CO 0.14 -0.03 0.11 1.28 -0.81 0.00 0.00 175.30 175.99 3m3i n LEU 70 N 2.86 0.00 -0.00 -0.88 4.77 -1.26 -2.06 117.00 120.43 3m3i n LEU 70 Ca -0.13 -1.52 0.03 0.00 -0.03 0.00 0.00 56.01 54.35 3m3i n LEU 70 Cb 0.59 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 3m3i n LEU 70 CO 0.21 -0.33 -0.49 0.00 -1.33 0.00 0.00 177.39 175.46 3m3i s SER 72 N -2.49 5.55 0.52 0.00 0.01 -1.26 -4.44 113.70 111.59 3m3i s SER 72 Ca -0.01 -0.40 -0.21 0.00 1.31 0.00 0.00 55.95 56.64 3m3i s SER 72 Cb 0.04 -1.01 -0.06 0.00 0.21 0.00 0.00 66.02 65.20 3m3i s SER 72 CO 0.23 -0.44 1.18 -1.81 0.41 0.00 0.00 173.24 172.81 3m3i s ASP 73 N -4.10 5.75 -0.07 2.44 -0.00 -1.26 -3.31 116.67 116.13 3m3i s ASP 73 Ca 0.44 2.33 0.02 0.00 -0.00 0.00 0.00 52.55 55.33 3m3i s ASP 73 Cb -0.07 -2.60 0.02 0.00 -0.00 0.00 0.00 42.92 40.27 3m3i s ASP 73 CO 0.29 -1.20 -0.10 -0.70 -0.00 0.00 0.00 175.17 173.45 3m3i s GLU 74 N -3.02 1.55 -0.13 8.23 2.12 -0.51 -2.32 118.70 124.62 3m3i s GLU 74 Ca 0.70 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 3m3i s GLU 74 Cb -0.29 -1.35 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 3m3i s GLU 74 CO 0.33 -0.03 0.02 0.99 -0.54 0.00 0.00 175.26 176.03 3m3i s THR 75 N 0.84 4.42 -0.14 -1.70 2.01 -0.35 0.38 115.64 121.11 3m3i s THR 75 Ca -0.11 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 3m3i s THR 75 Cb -0.15 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 3m3i s THR 75 CO 0.02 0.54 -0.02 0.26 -0.69 0.00 0.00 174.62 174.72 3m3i s TRP 76 N -0.23 3.06 -0.16 4.92 0.52 0.35 -2.17 118.94 125.24 3m3i s TRP 76 Ca 0.06 -0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.03 3m3i s TRP 76 Cb -0.12 -1.92 0.03 0.00 -1.15 0.00 0.00 33.47 30.31 3m3i s TRP 76 CO 0.02 0.10 -0.11 -1.64 0.02 0.00 0.00 176.95 175.33 3m3i s MET 77 N 0.05 2.04 0.25 4.98 -1.94 -0.48 -1.41 119.30 122.79 3m3i s MET 77 Ca 0.01 -0.58 -0.30 0.00 -1.71 0.00 0.00 55.69 53.11 3m3i s MET 77 Cb -0.13 -2.10 -0.11 0.00 2.01 0.00 0.00 34.83 34.51 3m3i s MET 77 CO 0.02 -0.31 1.53 -0.47 -0.01 0.00 0.00 175.02 175.79 3m3i s TYR 78 N 1.51 2.92 0.02 -0.03 6.14 -0.47 -1.94 117.35 125.50 3m3i s TYR 78 Ca 0.03 0.84 -0.03 0.00 0.64 0.00 0.00 57.07 58.55 3m3i s TYR 78 Cb -0.14 -3.94 -0.01 0.00 0.42 0.00 0.00 41.96 38.28 3m3i s TYR 78 CO -0.09 -3.20 -0.07 0.72 0.64 0.00 0.00 175.55 173.54 3m3i n HIS 79 N 2.61 0.00 -3.92 4.97 8.25 -0.21 -4.91 115.22 122.02 3m3i n HIS 79 Ca 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 3m3i n HIS 79 Cb 0.39 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.32 3m3i n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m3i s ALA 80 N -2.16 -0.23 0.00 -1.41 0.00 -1.05 -5.00 121.76 111.91 3m3i s ALA 80 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3m3i s ALA 80 Cb 0.01 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.03 3m3i s ALA 80 CO 0.09 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3m3i n GLY 81 N -0.27 -0.54 3.80 0.00 0.00 -1.26 -1.01 105.19 105.91 3m3i n GLY 81 Ca -0.07 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 3m3i n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m3i s ASP 82 N -4.00 5.15 0.52 1.61 1.01 0.18 -4.94 116.67 116.20 3m3i s ASP 82 Ca 0.00 1.72 -0.23 0.00 0.71 0.00 0.00 52.55 54.75 3m3i s ASP 82 Cb 0.00 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 3m3i s ASP 82 CO 0.00 -1.60 1.37 -0.81 0.21 0.00 0.00 175.17 174.34 3m3i n PRO 83 N -3.10 1.84 -3.17 8.23 -0.04 -1.26 -4.24 135.00 133.26 3m3i n PRO 83 Ca 0.08 0.67 -0.41 0.00 -0.04 0.00 0.00 63.50 63.81 3m3i n PRO 83 Cb 0.53 -2.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 3m3i n PRO 83 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3m3i s LEU 84 N -3.14 4.13 -0.14 1.53 2.96 -0.39 -4.74 118.68 118.88 3m3i s LEU 84 Ca 0.68 0.44 -0.27 0.00 -0.22 0.00 0.00 54.13 54.76 3m3i s LEU 84 Cb -0.43 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 3m3i s LEU 84 CO 0.52 -0.40 0.91 -1.58 -1.32 0.00 0.00 176.35 174.48 3m3i s GLN 85 N 2.47 4.35 -0.19 1.98 0.74 -0.80 -0.68 119.66 127.54 3m3i s GLN 85 Ca 0.23 1.19 -0.07 0.00 0.05 0.00 0.00 55.36 56.75 3m3i s GLN 85 Cb -0.15 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 3m3i s GLN 85 CO 0.11 -0.32 0.06 -0.51 -0.55 0.00 0.00 175.29 174.08 3m3i s LEU 86 N 2.09 3.80 -0.33 3.68 1.43 0.14 -1.64 118.68 127.86 3m3i s LEU 86 Ca 0.43 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 3m3i s LEU 86 Cb -0.17 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3m3i s LEU 86 CO 0.15 0.17 0.13 -1.00 0.23 0.00 0.00 176.35 176.02 3m3i s HIS 87 N 0.42 3.20 -0.25 0.29 3.76 -0.60 -1.51 115.29 120.60 3m3i s HIS 87 Ca 0.03 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 3m3i s HIS 87 Cb -0.12 -2.32 0.07 0.00 1.11 0.00 0.00 32.58 31.31 3m3i s HIS 87 CO 0.00 -0.60 -0.01 0.08 -0.85 0.00 0.00 174.74 173.36 3m3i s VAL 88 N 1.51 1.35 -0.42 -0.90 1.01 0.02 -1.63 120.40 121.35 3m3i s VAL 88 Ca 0.02 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 3m3i s VAL 88 Cb -0.18 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.48 3m3i s VAL 88 CO 0.04 -0.24 0.67 -0.63 0.00 0.00 0.00 175.10 174.94 3m3i s ILE 89 N 1.46 4.81 0.32 2.22 1.01 0.54 -0.30 121.20 131.27 3m3i s ILE 89 Ca -0.02 0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.69 3m3i s ILE 89 Cb -0.18 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 3m3i s ILE 89 CO -0.09 -0.54 0.92 -0.76 0.00 0.00 0.00 174.94 174.47 3m3i s LEU 90 N 2.87 4.31 0.03 2.97 1.43 -0.09 -1.15 118.68 129.04 3m3i s LEU 90 Ca 0.24 1.78 -0.27 0.00 -1.03 0.00 0.00 54.13 54.86 3m3i s LEU 90 Cb -0.14 -4.02 -0.17 0.00 0.03 0.00 0.00 46.19 41.89 3m3i s LEU 90 CO 0.18 -0.08 1.32 0.50 0.23 0.00 0.00 176.35 178.51 3m3i h LYS 91 N 3.08 -0.56 -5.44 1.70 3.64 -1.90 -2.91 116.57 114.18 3m3i h LYS 91 Ca -0.47 0.04 -0.43 0.00 -1.27 0.00 0.00 60.65 58.52 3m3i h LYS 91 Cb 1.19 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 3m3i h LYS 91 CO 0.65 -0.27 -0.72 -0.51 -2.27 0.00 0.00 179.45 176.33 3m3i s ASP 92 N -4.84 2.41 0.00 4.20 1.01 -1.26 -1.64 116.67 116.54 3m3i s ASP 92 Ca -0.15 -1.04 0.00 0.00 0.71 0.00 0.00 52.55 52.07 3m3i s ASP 92 Cb 0.03 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.85 3m3i s ASP 92 CO 0.55 -0.23 0.19 -2.65 0.21 0.00 0.00 175.17 173.23 3m3i n PRO 93 N -0.37 0.00 -0.41 8.23 -0.02 -1.26 -4.54 135.00 136.63 3m3i n PRO 93 Ca -0.08 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.47 3m3i n PRO 93 Cb 0.61 -0.92 0.25 0.00 -0.02 0.00 0.00 33.50 33.42 3m3i n PRO 93 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3m3i n GLN 94 N 2.69 2.82 -0.13 -0.52 6.02 -1.26 -4.03 117.38 122.97 3m3i n GLN 94 Ca 0.00 -2.03 -0.08 0.00 -0.01 0.00 0.00 57.00 54.88 3m3i n GLN 94 Cb 0.09 -1.66 0.08 0.00 1.02 0.00 0.00 30.24 29.78 3m3i n GLN 94 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3m3i h ASP 95 N 2.99 0.87 0.32 1.08 3.32 -1.97 -3.28 116.42 119.75 3m3i h ASP 95 Ca 0.00 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 3m3i h ASP 95 Cb 1.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3m3i h ASP 95 CO 0.14 1.00 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.97 3m3i h GLU 96 N 0.79 0.06 0.00 3.56 4.39 -1.97 -2.92 114.58 118.50 3m3i h GLU 96 Ca 0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3m3i h GLU 96 Cb 0.62 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3m3i h GLU 96 CO 0.04 0.41 0.00 -0.44 -1.16 0.00 0.00 179.01 177.86 3m3i h ASP 97 N 0.05 0.00 0.00 1.42 5.19 -1.86 -3.56 116.42 117.66 3m3i h ASP 97 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3m3i h ASP 97 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 3m3i h ASP 97 CO 0.05 0.00 -0.73 -2.11 -3.12 0.00 0.00 179.24 173.33 3m3i n ARG 98 N -2.99 2.90 0.00 3.56 -4.01 -1.11 -5.21 116.66 109.80 3m3i n ARG 98 Ca 0.01 -0.03 0.00 0.00 -1.04 0.00 0.00 57.85 56.79 3m3i n ARG 98 Cb 0.29 -1.00 0.00 0.00 -3.04 0.00 0.00 32.46 28.70 3m3i n ARG 98 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 3m3i n ARG 117 N -1.40 0.00 -2.18 2.89 3.00 -1.26 -5.09 116.66 112.62 3m3i n ARG 117 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.51 3m3i n ARG 117 Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.63 3m3i n ARG 117 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3m3i s PRO 118 N -2.73 3.26 0.34 -0.14 0.04 -1.26 -5.03 135.00 129.49 3m3i s PRO 118 Ca 0.00 1.60 0.09 0.00 0.04 0.00 0.00 61.00 62.73 3m3i s PRO 118 Cb 0.00 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3m3i s PRO 118 CO 0.00 -0.92 0.08 0.15 0.04 0.00 0.00 177.00 176.34 3m3i s LYS 119 N -3.38 2.21 -1.42 4.56 1.02 -1.26 -4.72 119.74 116.74 3m3i s LYS 119 Ca 0.72 -1.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.02 3m3i s LYS 119 Cb -0.24 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 3m3i s LYS 119 CO 0.29 0.11 0.19 0.66 -0.92 0.00 0.00 175.35 175.68 3m3i n TYR 120 N -1.05 -1.45 0.05 3.18 4.01 -0.65 -4.86 117.16 116.39 3m3i n TYR 120 Ca -0.04 0.17 -0.08 0.00 -0.16 0.00 0.00 57.90 57.79 3m3i n TYR 120 Cb 0.62 -3.52 -0.13 0.00 -0.31 0.00 0.00 39.34 36.00 3m3i n TYR 120 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3m3i h GLN 121 N -0.41 0.03 -5.10 -0.72 4.20 -1.82 -3.46 115.11 107.83 3m3i h GLN 121 Ca -0.42 -0.05 -0.62 0.00 0.06 0.00 0.00 58.65 57.62 3m3i h GLN 121 Cb 1.30 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.95 3m3i h GLN 121 CO 0.49 0.94 -0.52 0.08 -0.67 0.00 0.00 178.83 179.15 3m3i s VAL 122 N -2.68 5.26 -0.29 -0.54 1.01 -1.26 -5.01 120.40 116.89 3m3i s VAL 122 Ca -0.01 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 3m3i s VAL 122 Cb 0.09 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3m3i s VAL 122 CO 0.83 0.36 0.05 -0.47 0.00 0.00 0.00 175.10 175.86 3m3i s TYR 123 N 1.02 3.14 -0.16 5.22 5.04 -1.26 -0.91 117.35 129.44 3m3i s TYR 123 Ca 0.07 -1.15 -0.06 0.00 -2.44 0.00 0.00 57.07 53.50 3m3i s TYR 123 Cb -0.13 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 3m3i s TYR 123 CO 0.04 -0.62 0.04 1.03 -1.34 0.00 0.00 175.55 174.70 3m3i s ARG 124 N 1.45 3.72 -0.31 4.97 0.52 0.59 -4.96 118.95 124.93 3m3i s ARG 124 Ca 0.02 -0.37 -0.10 0.00 -0.52 0.00 0.00 55.73 54.76 3m3i s ARG 124 Cb -0.17 -3.08 -0.00 0.00 0.52 0.00 0.00 34.95 32.21 3m3i s ARG 124 CO 0.01 0.37 0.15 0.50 0.02 0.00 0.00 175.30 176.35 3m3i s ARG 125 N 0.06 3.30 -0.05 3.54 3.52 -1.26 -0.80 118.95 127.27 3m3i s ARG 125 Ca 0.04 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 54.96 3m3i s ARG 125 Cb -0.12 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 3m3i s ARG 125 CO 0.01 -0.43 -0.23 0.08 -0.81 0.00 0.00 175.30 173.92 3m3i s VAL 126 N 1.61 1.90 -0.24 7.11 1.01 -0.57 -4.97 120.40 126.24 3m3i s VAL 126 Ca 0.04 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3m3i s VAL 126 Cb -0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3m3i s VAL 126 CO 0.06 0.53 0.18 -0.76 0.00 0.00 0.00 175.10 175.11 3m3i s LEU 127 N -0.22 4.11 -0.40 3.92 1.43 -1.26 0.29 118.68 126.54 3m3i s LEU 127 Ca -0.00 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 3m3i s LEU 127 Cb -0.12 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.98 3m3i s LEU 127 CO 0.02 0.05 0.32 -0.69 0.23 0.00 0.00 176.35 176.28 3m3i s VAL 128 N 1.14 5.22 0.12 -1.59 1.01 0.15 -0.88 120.40 125.57 3m3i s VAL 128 Ca 0.08 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 3m3i s VAL 128 Cb -0.14 -3.91 0.08 0.00 0.00 0.00 0.00 36.38 32.41 3m3i s VAL 128 CO 0.05 -0.28 1.12 -0.83 0.00 0.00 0.00 175.10 175.16 3m3i s GLY 129 N 1.72 0.03 -0.00 4.51 0.00 -0.28 -1.27 107.32 112.03 3m3i s GLY 129 Ca 0.07 -0.20 0.20 0.00 0.00 0.00 0.00 44.72 44.79 3m3i s GLY 129 CO 0.11 3.32 0.84 0.00 0.00 0.00 0.00 173.10 177.37 3m3i n ALA 130 N -0.75 4.54 -2.51 3.20 0.00 -1.26 -2.49 120.51 121.23 3m3i n ALA 130 Ca -0.01 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.42 3m3i n ALA 130 Cb 0.59 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.30 3m3i n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3m3i n ARG 131 N -1.54 3.27 0.30 0.00 1.74 -1.26 -4.76 116.66 114.41 3m3i n ARG 131 Ca 0.03 -3.39 0.18 0.00 -0.77 0.00 0.00 57.85 53.91 3m3i n ARG 131 Cb 0.34 -3.22 0.92 0.00 -1.02 0.00 0.00 32.46 29.48 3m3i n ARG 131 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3m3i h VAL 132 N 4.69 0.21 0.00 1.55 -1.51 -1.83 -1.27 116.25 118.09 3m3i h VAL 132 Ca 0.42 -0.29 -0.00 0.00 -1.23 0.00 0.00 66.70 65.60 3m3i h VAL 132 Cb 0.79 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 3m3i h VAL 132 CO 1.50 0.04 -0.00 1.05 -1.23 0.00 0.00 177.57 178.92 3m3i h GLU 133 N 0.00 0.00 -0.05 5.19 9.09 -1.87 -2.71 114.58 124.23 3m3i h GLU 133 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m3i h GLU 133 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3m3i h GLU 133 CO 0.00 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.61 3m3i n ARG 134 N -3.10 2.16 -0.07 1.06 1.74 -0.49 -4.97 116.66 113.00 3m3i n ARG 134 Ca -0.01 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.20 3m3i n ARG 134 Cb 0.21 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3m3i n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m3i n GLY 135 N 1.28 0.96 3.84 -0.13 0.00 -1.02 -5.08 105.19 105.05 3m3i n GLY 135 Ca 0.14 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3m3i n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m3i s GLU 136 N -0.79 4.03 -0.14 1.61 2.02 -1.16 -4.66 118.70 119.61 3m3i s GLU 136 Ca 0.00 0.77 0.02 0.00 0.02 0.00 0.00 54.97 55.78 3m3i s GLU 136 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.88 3m3i s GLU 136 CO 0.00 0.07 -0.20 -0.51 0.02 0.00 0.00 175.26 174.64 3m3i s LEU 137 N -3.17 2.25 0.41 1.80 1.43 -0.06 -4.03 118.68 117.31 3m3i s LEU 137 Ca 0.56 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 3m3i s LEU 137 Cb -0.10 -1.48 0.87 0.00 0.03 0.00 0.00 46.19 45.51 3m3i s LEU 137 CO 0.18 0.10 2.02 -0.07 0.23 0.00 0.00 176.35 178.82 3m3i h LEU 138 N 7.16 0.36 -7.78 1.79 3.38 -1.81 -0.72 115.31 117.69 3m3i h LEU 138 Ca -0.29 -0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.30 3m3i h LEU 138 Cb 1.20 -0.09 -0.31 0.00 0.09 0.00 0.00 40.66 41.55 3m3i h LEU 138 CO 0.54 0.33 -0.75 -1.58 0.09 0.00 0.00 178.44 177.06 3m3i s GLN 139 N -5.22 0.46 -0.16 1.13 0.74 -1.26 -1.37 119.66 113.98 3m3i s GLN 139 Ca -0.07 -0.09 -0.14 0.00 0.05 0.00 0.00 55.36 55.11 3m3i s GLN 139 Cb 0.17 -0.50 0.04 0.00 1.10 0.00 0.00 33.01 33.82 3m3i s GLN 139 CO 0.73 -0.00 0.43 -0.47 -0.55 0.00 0.00 175.29 175.43 3m3i s TYR 140 N 0.42 -0.49 -0.20 1.67 5.04 -0.50 -4.97 117.35 118.32 3m3i s TYR 140 Ca -0.05 1.18 -0.04 0.00 -2.44 0.00 0.00 57.07 55.72 3m3i s TYR 140 Cb -0.08 0.18 -0.02 0.00 0.35 0.00 0.00 41.96 42.39 3m3i s TYR 140 CO -0.00 -0.24 -0.02 0.99 -1.34 0.00 0.00 175.55 174.93 3m3i s THR 141 N 0.38 3.72 -0.31 4.34 2.01 -1.26 0.13 115.64 124.65 3m3i s THR 141 Ca -0.01 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 3m3i s THR 141 Cb -0.04 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 3m3i s THR 141 CO -0.01 0.44 0.56 -0.69 -0.69 0.00 0.00 174.62 174.23 3m3i s VAL 142 N 1.03 4.99 0.31 3.82 1.01 0.16 -4.94 120.40 126.78 3m3i s VAL 142 Ca 0.01 0.66 -0.28 0.00 0.00 0.00 0.00 61.98 62.38 3m3i s VAL 142 Cb -0.14 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3m3i s VAL 142 CO 0.01 -0.12 1.07 -2.84 0.00 0.00 0.00 175.10 173.22 3m3i s PRO 143 N 2.47 4.52 0.19 2.72 0.02 -1.26 -1.42 135.00 142.23 3m3i s PRO 143 Ca 0.22 1.70 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 3m3i s PRO 143 Cb -0.15 -3.01 -0.16 0.00 0.02 0.00 0.00 34.50 31.19 3m3i s PRO 143 CO 0.12 0.13 0.87 0.41 -0.33 0.00 0.00 177.00 178.20 3m3i n GLY 144 N 0.97 -0.76 0.58 0.52 0.00 -1.21 -1.80 105.19 103.49 3m3i n GLY 144 Ca 0.01 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3m3i n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3i n GLY 145 N 1.76 1.19 3.76 -0.02 0.00 -1.06 -4.88 105.19 105.94 3m3i n GLY 145 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3m3i n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i s ALA 146 N -2.28 3.31 -0.32 4.61 0.00 -0.75 -4.27 121.76 122.06 3m3i s ALA 146 Ca 0.00 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 3m3i s ALA 146 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 3m3i s ALA 146 CO 0.00 0.09 0.60 0.42 0.00 0.00 0.00 175.76 176.88 3m3i s ILE 147 N -1.30 4.94 0.05 0.00 1.01 -0.30 -4.26 121.20 121.34 3m3i s ILE 147 Ca 0.45 0.69 -0.08 0.00 0.00 0.00 0.00 60.65 61.72 3m3i s ILE 147 Cb -0.25 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 3m3i s ILE 147 CO 0.32 -0.19 0.15 0.72 0.00 0.00 0.00 174.94 175.94 3m3i s PHE 148 N 2.58 0.15 0.34 3.97 -0.71 -0.43 -0.34 117.98 123.55 3m3i s PHE 148 Ca 0.24 -0.46 -0.06 0.00 -1.04 0.00 0.00 56.93 55.61 3m3i s PHE 148 Cb -0.15 -0.09 0.01 0.00 -1.21 0.00 0.00 43.02 41.58 3m3i s PHE 148 CO 0.13 -0.43 0.52 0.20 -1.34 0.00 0.00 175.22 174.29 3m3i s GLY 149 N -2.32 1.20 -0.02 1.99 0.00 -0.65 -1.86 107.32 105.67 3m3i s GLY 149 Ca -0.02 -1.32 -0.06 0.00 0.00 0.00 0.00 44.72 43.32 3m3i s GLY 149 CO -0.06 -0.85 0.13 -1.35 0.00 0.00 0.00 173.10 170.96 3m3i s SER 150 N -3.18 -0.04 0.24 1.64 1.04 -0.08 -1.56 113.70 111.76 3m3i s SER 150 Ca 0.27 0.00 -0.03 0.00 0.48 0.00 0.00 55.95 56.67 3m3i s SER 150 Cb -0.01 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3m3i s SER 150 CO 0.17 -0.22 0.26 -0.94 0.98 0.00 0.00 173.24 173.49 3m3i s SER 151 N -0.71 0.30 0.01 7.02 1.04 -0.65 0.17 113.70 120.88 3m3i s SER 151 Ca -0.08 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 55.05 3m3i s SER 151 Cb -0.05 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3m3i s SER 151 CO 0.01 -0.97 -0.07 -0.69 0.98 0.00 0.00 173.24 172.49 3m3i s VAL 152 N -3.97 0.57 0.36 5.02 1.01 -1.26 -1.90 120.40 120.22 3m3i s VAL 152 Ca 0.35 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 3m3i s VAL 152 Cb 0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 3m3i s VAL 152 CO 0.14 0.01 1.16 0.00 0.00 0.00 0.00 175.10 176.41 3m3i s ALA 153 N -0.50 3.27 0.13 5.51 0.00 -1.26 -4.26 121.76 124.65 3m3i s ALA 153 Ca -0.01 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 3m3i s ALA 153 Cb -0.05 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3m3i s ALA 153 CO 0.00 -0.42 1.53 0.00 0.00 0.00 0.00 175.76 176.87 3m3i h ALA 154 N 3.07 0.56 -3.90 0.00 0.00 -1.90 -3.37 119.26 113.72 3m3i h ALA 154 Ca -0.48 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 53.85 3m3i h ALA 154 Cb 1.23 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 3m3i h ALA 154 CO 0.64 0.44 -0.19 -0.25 0.00 0.00 0.00 179.25 179.89 3m3i n ASP 155 N -4.32 -0.78 0.00 0.00 9.92 -1.26 -4.82 116.55 115.29 3m3i n ASP 155 Ca -0.01 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.82 3m3i n ASP 155 Cb 0.37 1.56 0.00 0.00 -0.64 0.00 0.00 41.12 42.41 3m3i n ASP 155 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3m3i n GLY 156 N -0.43 -1.89 0.09 0.44 0.00 -1.26 -3.47 105.19 98.67 3m3i n GLY 156 Ca 0.02 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.52 3m3i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i n ALA 157 N 0.27 1.67 0.90 4.61 0.00 -1.26 -1.71 120.51 124.99 3m3i n ALA 157 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3m3i n ALA 157 Cb 0.00 -1.34 0.09 0.00 0.00 0.00 0.00 19.45 18.20 3m3i n ALA 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m3i n ASP 158 N -1.99 2.79 -3.15 0.00 8.00 -1.26 -4.72 116.55 116.21 3m3i n ASP 158 Ca 0.03 -1.90 -0.20 0.00 0.71 0.00 0.00 54.79 53.43 3m3i n ASP 158 Cb 0.21 0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 3m3i n ASP 158 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m3i n GLY 159 N 1.22 3.89 0.13 0.44 0.00 -0.69 -4.11 105.19 106.06 3m3i n GLY 159 Ca 0.13 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 3m3i n GLY 159 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m3i n GLN 160 N 0.32 0.65 0.06 1.61 1.13 -1.24 -4.02 117.38 115.91 3m3i n GLN 160 Ca 0.26 0.13 -0.11 0.00 -1.94 0.00 0.00 57.00 55.34 3m3i n GLN 160 Cb 0.60 -1.52 -0.01 0.00 0.11 0.00 0.00 30.24 29.41 3m3i n GLN 160 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3m3i h ALA 161 N 0.11 0.47 0.00 -1.58 0.00 -1.92 -3.48 119.26 112.86 3m3i h ALA 161 Ca -0.58 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3m3i h ALA 161 Cb 1.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3m3i h ALA 161 CO -0.08 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.40 3m3i n GLY 162 N 0.81 0.77 3.84 0.00 0.00 -1.26 -4.77 105.19 104.57 3m3i n GLY 162 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 3m3i n GLY 162 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3m3i s TYR 163 N -2.80 -0.12 -0.04 1.61 -0.85 -1.26 -4.36 117.35 109.53 3m3i s TYR 163 Ca 0.00 -0.36 -0.00 0.00 -0.52 0.00 0.00 57.07 56.19 3m3i s TYR 163 Cb 0.00 0.70 0.03 0.00 0.38 0.00 0.00 41.96 43.07 3m3i s TYR 163 CO 0.00 -1.27 0.01 0.45 -1.52 0.00 0.00 175.55 173.22 3m3i s SER 164 N -2.94 0.82 -0.16 -0.18 0.15 -0.79 0.50 113.70 111.10 3m3i s SER 164 Ca 0.12 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.71 3m3i s SER 164 Cb -0.06 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.97 3m3i s SER 164 CO 0.08 -0.15 -0.01 -0.22 1.20 0.00 0.00 173.24 174.14 3m3i s LEU 165 N 1.46 3.43 0.13 3.45 2.96 -0.18 -1.97 118.68 127.95 3m3i s LEU 165 Ca -0.04 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3m3i s LEU 165 Cb -0.13 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3m3i s LEU 165 CO -0.03 0.18 0.10 0.68 -1.32 0.00 0.00 176.35 175.97 3m3i s VAL 166 N 0.31 0.11 -0.16 1.68 -7.23 -0.44 -1.04 120.40 113.63 3m3i s VAL 166 Ca -0.02 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 3m3i s VAL 166 Cb -0.14 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 3m3i s VAL 166 CO 0.02 -0.50 0.05 -0.44 -0.31 0.00 0.00 175.10 173.93 3m3i s SER 167 N -3.01 5.60 0.06 4.85 0.01 -0.82 -0.98 113.70 119.41 3m3i s SER 167 Ca 0.20 0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.63 3m3i s SER 167 Cb 0.06 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 3m3i s SER 167 CO -0.01 0.23 -0.10 0.00 0.41 0.00 0.00 173.24 173.77 3m3i s ILE 169 N -1.08 0.18 -0.19 0.00 1.01 -0.92 -0.02 121.20 120.17 3m3i s ILE 169 Ca 0.19 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 61.02 3m3i s ILE 169 Cb -0.11 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 3m3i s ILE 169 CO 0.10 0.22 0.01 -0.69 0.00 0.00 0.00 174.94 174.59 3m3i s VAL 170 N 1.99 4.16 -0.17 2.92 1.01 -0.51 -1.21 120.40 128.59 3m3i s VAL 170 Ca 0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 3m3i s VAL 170 Cb -0.12 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.46 3m3i s VAL 170 CO -0.04 0.44 0.37 -0.55 0.00 0.00 0.00 175.10 175.32 3m3i s SER 171 N 0.77 -0.16 0.95 3.32 0.15 -0.98 -1.79 113.70 115.95 3m3i s SER 171 Ca 0.01 0.84 -0.13 0.00 0.70 0.00 0.00 55.95 57.37 3m3i s SER 171 Cb -0.14 1.00 0.02 0.00 -1.71 0.00 0.00 66.02 65.20 3m3i s SER 171 CO 0.02 -0.22 0.33 -2.65 1.20 0.00 0.00 173.24 171.92 3m3i n PRO 172 N 5.06 -0.27 -0.86 5.44 -0.02 -1.25 -3.99 135.00 139.11 3m3i n PRO 172 Ca -0.12 -0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.02 3m3i n PRO 172 Cb 0.51 -1.80 0.19 0.00 -0.02 0.00 0.00 33.50 32.37 3m3i n PRO 172 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3m3i s GLY 173 N -1.95 1.60 0.08 -1.23 0.00 0.10 -4.74 107.32 101.18 3m3i s GLY 173 Ca 0.56 0.04 -0.25 0.00 0.00 0.00 0.00 44.72 45.07 3m3i s GLY 173 CO 0.68 0.61 0.76 -0.12 0.00 0.00 0.00 173.10 175.03 3m3i s PHE 174 N -2.71 3.78 -0.12 1.90 5.36 -1.26 -4.78 117.98 120.15 3m3i s PHE 174 Ca 0.66 1.51 -0.07 0.00 -0.96 0.00 0.00 56.93 58.07 3m3i s PHE 174 Cb -0.22 -2.80 0.05 0.00 -0.34 0.00 0.00 43.02 39.71 3m3i s PHE 174 CO 0.60 0.35 0.30 0.34 -1.46 0.00 0.00 175.22 175.35 3m3i s ASP 175 N -0.37 -0.34 0.63 6.13 3.68 -1.26 -4.91 116.67 120.22 3m3i s ASP 175 Ca 0.38 0.64 0.40 0.00 2.13 0.00 0.00 52.55 56.09 3m3i s ASP 175 Cb -0.21 0.55 2.15 0.00 -1.45 0.00 0.00 42.92 43.95 3m3i s ASP 175 CO 0.24 -0.16 2.29 1.88 0.13 0.00 0.00 175.17 179.55 3m3i h TYR 176 N 6.91 0.00 0.00 -5.34 0.05 -1.97 0.42 116.97 117.05 3m3i h TYR 176 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.41 3m3i h TYR 176 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 3m3i h TYR 176 CO 0.33 0.01 0.00 0.00 -1.05 0.00 0.00 178.16 177.45 3m3i h ARG 177 N 0.00 0.00 -0.32 4.88 3.08 -2.02 -2.10 114.38 117.90 3m3i h ARG 177 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m3i h ARG 177 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3m3i h ARG 177 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 3m3i n ASP 178 N -2.38 3.40 -4.53 7.04 8.00 0.15 -4.93 116.55 123.31 3m3i n ASP 178 Ca 0.00 -2.44 -0.41 0.00 0.71 0.00 0.00 54.79 52.65 3m3i n ASP 178 Cb 0.14 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 3m3i n ASP 178 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3m3i s PHE 179 N -1.80 3.21 -0.15 1.24 5.36 -0.79 -4.11 117.98 120.94 3m3i s PHE 179 Ca 0.32 -0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3m3i s PHE 179 Cb 0.22 -2.65 -0.00 0.00 -0.34 0.00 0.00 43.02 40.25 3m3i s PHE 179 CO 0.13 -0.46 -0.16 -2.00 -1.46 0.00 0.00 175.22 171.27 3m3i s GLU 180 N 1.94 3.22 0.02 10.12 2.12 -0.88 -5.00 118.70 130.24 3m3i s GLU 180 Ca 0.10 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.69 3m3i s GLU 180 Cb -0.17 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 3m3i s GLU 180 CO 0.12 0.06 0.05 -1.50 -0.54 0.00 0.00 175.26 173.44 3m3i s ILE 181 N 0.71 4.45 0.33 -3.70 1.10 -1.26 -0.64 121.20 122.18 3m3i s ILE 181 Ca -0.07 -0.58 0.10 0.00 -0.51 0.00 0.00 60.65 59.59 3m3i s ILE 181 Cb -0.16 -3.04 -0.06 0.00 0.15 0.00 0.00 42.46 39.35 3m3i s ILE 181 CO 0.01 0.30 -0.08 -0.36 -2.11 0.00 0.00 174.94 172.70 3m3i s PHE 182 N -1.20 2.43 0.26 3.50 0.40 -1.17 -5.01 117.98 117.19 3m3i s PHE 182 Ca 0.23 -0.44 0.12 0.00 -0.60 0.00 0.00 56.93 56.24 3m3i s PHE 182 Cb -0.12 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.04 3m3i s PHE 182 CO 0.14 0.59 -0.20 0.95 0.70 0.00 0.00 175.22 177.40 3m3i s THR 183 N -2.56 2.40 0.13 0.64 -4.23 -1.26 -4.05 115.64 106.72 3m3i s THR 183 Ca 0.33 -2.33 -0.18 0.00 -1.18 0.00 0.00 61.69 58.32 3m3i s THR 183 Cb 0.00 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 3m3i s THR 183 CO 0.17 -0.37 1.74 1.56 -0.54 0.00 0.00 174.62 177.18 3m3i h GLN 184 N 2.44 0.42 -0.24 3.99 4.20 -1.54 -2.31 115.11 122.06 3m3i h GLN 184 Ca -0.41 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.31 3m3i h GLN 184 Cb 1.25 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.90 3m3i h GLN 184 CO 0.58 0.35 -0.07 0.00 -0.67 0.00 0.00 178.83 179.02 3m3i h ALA 185 N 1.05 0.15 -0.23 3.87 0.00 -1.96 -0.65 119.26 121.49 3m3i h ALA 185 Ca 0.11 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3m3i h ALA 185 Cb 0.05 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3m3i h ALA 185 CO -0.02 -0.48 -0.32 0.37 0.00 0.00 0.00 179.25 178.80 3m3i h GLN 186 N -0.01 -0.33 -0.25 0.00 4.15 -1.93 -3.11 115.11 113.63 3m3i h GLN 186 Ca 0.12 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 3m3i h GLN 186 Cb 0.19 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3m3i h GLN 186 CO -0.26 -0.22 -0.28 -0.07 -1.93 0.00 0.00 178.83 176.07 3m3i h LEU 187 N -0.34 0.51 -2.02 -2.39 3.38 -1.02 -2.87 115.31 110.56 3m3i h LEU 187 Ca 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3m3i h LEU 187 Cb 0.54 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3m3i h LEU 187 CO -0.42 0.78 0.00 0.24 0.09 0.00 0.00 178.44 179.13 3m3i h MET 188 N 0.44 0.00 0.00 1.13 2.86 -1.06 0.43 114.93 118.74 3m3i h MET 188 Ca 0.06 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.49 3m3i h MET 188 Cb 0.72 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 3m3i h MET 188 CO 0.06 0.00 -1.18 0.93 1.06 0.00 0.00 176.91 177.77 3m3i h GLU 189 N 0.00 0.00 0.00 1.72 4.39 -1.49 -3.33 114.58 115.87 3m3i h GLU 189 Ca 0.00 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.29 3m3i h GLU 189 Cb 0.11 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.69 3m3i h GLU 189 CO 0.00 0.66 -2.43 1.28 -1.16 0.00 0.00 179.01 177.36 3m3i n LEU 190 N -3.17 2.33 -2.86 1.33 4.77 -0.85 -4.82 117.00 113.73 3m3i n LEU 190 Ca -0.06 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 3m3i n LEU 190 Cb 0.92 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3m3i n LEU 190 CO 0.45 0.70 0.08 -1.22 -1.33 0.00 0.00 177.39 176.07 3m3i n TYR 191 N -3.76 3.13 0.39 -1.77 4.01 0.15 -4.89 117.16 114.41 3m3i n TYR 191 Ca -0.48 -3.71 0.12 0.00 -0.16 0.00 0.00 57.90 53.67 3m3i n TYR 191 Cb 0.91 -0.38 0.50 0.00 -0.31 0.00 0.00 39.34 40.05 3m3i n TYR 191 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3m3i n PRO 192 N -0.20 0.20 0.28 -0.72 -0.04 -1.25 -2.02 135.00 131.24 3m3i n PRO 192 Ca 0.30 0.43 0.17 0.00 -0.04 0.00 0.00 63.50 64.36 3m3i n PRO 192 Cb 0.52 -1.88 0.82 0.00 -0.04 0.00 0.00 33.50 32.92 3m3i n PRO 192 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3m3i h GLN 193 N 0.00 0.00 -0.84 0.54 -0.00 -1.92 -3.06 115.11 109.84 3m3i h GLN 193 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.31 3m3i h GLN 193 Cb 0.35 0.00 -0.21 0.00 -0.00 0.00 0.00 27.48 27.63 3m3i h GLN 193 CO 0.00 0.06 0.42 0.72 -0.00 0.00 0.00 178.83 180.03 3m3i n HIS 194 N -3.29 2.67 -0.24 0.06 8.25 -0.86 -4.80 115.22 117.01 3m3i n HIS 194 Ca -0.01 -1.50 0.17 0.00 -0.26 0.00 0.00 57.72 56.12 3m3i n HIS 194 Cb 0.23 -0.79 0.48 0.00 1.12 0.00 0.00 29.99 31.03 3m3i n HIS 194 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3m3i h GLU 195 N 1.89 0.45 -0.33 -0.41 4.81 -1.71 -1.95 114.58 117.34 3m3i h GLU 195 Ca 0.42 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 3m3i h GLU 195 Cb 2.54 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.81 3m3i h GLU 195 CO 0.88 0.30 -0.03 0.00 -0.73 0.00 0.00 179.01 179.43 3m3i h ALA 196 N 1.62 0.45 -0.24 2.92 0.00 -1.90 -1.06 119.26 121.04 3m3i h ALA 196 Ca 0.46 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3m3i h ALA 196 Cb 1.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3m3i h ALA 196 CO -0.18 0.24 -0.45 -0.24 0.00 0.00 0.00 179.25 178.62 3m3i h VAL 197 N 0.39 1.30 0.05 0.00 3.04 -1.80 -2.61 116.25 116.62 3m3i h VAL 197 Ca 0.09 -1.64 -0.00 0.00 -1.01 0.00 0.00 66.70 64.14 3m3i h VAL 197 Cb 0.50 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3m3i h VAL 197 CO 0.02 0.52 -0.02 0.40 -1.01 0.00 0.00 177.57 177.48 3m3i h ILE 198 N 0.49 1.17 0.00 3.17 2.04 -1.30 0.99 117.51 124.07 3m3i h ILE 198 Ca 0.03 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3m3i h ILE 198 Cb 0.97 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3m3i h ILE 198 CO 0.09 0.18 -0.20 0.11 0.00 0.00 0.00 178.15 178.33 3m3i h LYS 199 N -0.38 0.00 0.00 2.37 1.57 -1.26 -0.99 116.57 117.89 3m3i h LYS 199 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3m3i h LYS 199 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3m3i h LYS 199 CO 0.01 0.20 -0.16 0.37 -0.57 0.00 0.00 179.45 179.30 3m3i h GLN 200 N 0.00 0.10 0.00 3.15 4.15 -1.35 -3.43 115.11 117.73 3m3i h GLN 200 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3m3i h GLN 200 Cb 0.38 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3m3i h GLN 200 CO 0.03 0.89 -1.00 -1.33 -1.93 0.00 0.00 178.83 175.49 3m3i n MET 201 N -4.58 1.91 -3.61 1.69 2.81 0.33 -4.97 117.12 110.70 3m3i n MET 201 Ca -0.10 -0.05 -0.37 0.00 -1.81 0.00 0.00 57.70 55.38 3m3i n MET 201 Cb 0.47 -1.10 -0.06 0.00 -0.71 0.00 0.00 33.22 31.82 3m3i n MET 201 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3m3i s ALA 202 N -2.33 3.75 0.02 3.04 0.00 -0.39 -1.12 121.76 124.74 3m3i s ALA 202 Ca -0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 51.96 51.22 3m3i s ALA 202 Cb 0.07 -2.25 -0.17 0.00 0.00 0.00 0.00 23.12 20.76 3m3i s ALA 202 CO 0.40 0.54 1.38 0.66 0.00 0.00 0.00 175.76 178.74 3m3i n TYR 203 N 1.59 1.52 1.53 0.00 4.01 -1.26 -4.51 117.16 120.05 3m3i n TYR 203 Ca -0.14 0.66 0.14 0.00 -0.16 0.00 0.00 57.90 58.41 3m3i n TYR 203 Cb 0.53 -2.33 0.55 0.00 -0.31 0.00 0.00 39.34 37.78 3m3i n TYR 203 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55