#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3i s ASN 11 N 0.00 5.74 0.34 1.69 0.01 -1.26 -5.09 114.94 116.37 3m3i s ASN 11 Ca 0.00 1.73 0.03 0.00 -0.71 0.00 0.00 52.86 53.91 3m3i s ASN 11 Cb 0.00 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 3m3i s ASN 11 CO 0.00 -1.19 0.09 0.28 -1.51 0.00 0.00 177.10 174.77 3m3i s THR 12 N -2.66 0.87 0.16 1.60 -1.32 -1.26 -5.01 115.64 108.02 3m3i s THR 12 Ca 0.61 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.94 3m3i s THR 12 Cb -0.15 -2.61 0.05 0.00 -1.51 0.00 0.00 72.50 68.28 3m3i s THR 12 CO 0.42 0.00 1.75 0.00 -2.21 0.00 0.00 174.62 174.58 3m3i h ALA 13 N 2.05 0.48 -0.83 11.08 0.00 -1.87 -1.83 119.26 128.34 3m3i h ALA 13 Ca -0.38 0.05 0.20 0.00 0.00 0.00 0.00 54.91 54.78 3m3i h ALA 13 Cb 1.25 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 3m3i h ALA 13 CO 0.64 -0.24 0.04 0.93 0.00 0.00 0.00 179.25 180.61 3m3i h GLU 14 N 0.31 0.10 0.34 0.00 5.08 -1.98 0.36 114.58 118.78 3m3i h GLU 14 Ca 0.19 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3m3i h GLU 14 Cb 0.17 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3m3i h GLU 14 CO -0.19 0.06 -0.20 0.35 -1.00 0.00 0.00 179.01 178.03 3m3i h PHE 15 N 0.10 -0.53 0.00 4.33 3.04 -1.74 -1.97 116.94 120.17 3m3i h PHE 15 Ca 0.47 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.30 3m3i h PHE 15 Cb 0.88 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.56 3m3i h PHE 15 CO -0.43 -0.32 -0.58 -1.49 -2.02 0.00 0.00 178.31 173.48 3m3i h TRP 16 N -0.52 0.00 -0.43 0.41 4.06 -0.86 -2.29 115.95 116.32 3m3i h TRP 16 Ca -0.04 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.82 3m3i h TRP 16 Cb 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 3m3i h TRP 16 CO -0.09 0.58 -0.11 0.82 -3.56 0.00 0.00 178.44 176.08 3m3i h ILE 17 N 0.00 1.27 0.03 1.49 2.04 -0.21 -1.74 117.51 120.39 3m3i h ILE 17 Ca -0.01 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 3m3i h ILE 17 Cb 1.09 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3m3i h ILE 17 CO 0.08 0.41 -0.02 0.50 0.00 0.00 0.00 178.15 179.12 3m3i h LYS 18 N 0.66 -0.04 -0.15 2.37 3.64 -1.31 -1.50 116.57 120.23 3m3i h LYS 18 Ca 0.11 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 3m3i h LYS 18 Cb 0.65 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3m3i h LYS 18 CO 0.04 0.26 -0.37 0.00 -2.27 0.00 0.00 179.45 177.11 3m3i h ARG 19 N -0.34 0.52 -0.04 1.90 -0.00 -1.40 -2.65 114.38 112.38 3m3i h ARG 19 Ca -0.00 -0.36 0.00 0.00 -0.50 0.00 0.00 59.98 59.12 3m3i h ARG 19 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.34 3m3i h ARG 19 CO 0.01 0.97 0.00 1.28 0.00 0.00 0.00 179.97 182.23 3m3i n LEU 20 N -4.31 0.91 -3.91 3.04 4.77 -0.66 -4.94 117.00 111.91 3m3i n LEU 20 Ca -0.07 -0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.29 3m3i n LEU 20 Cb 0.52 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3m3i n LEU 20 CO 0.44 0.17 0.09 0.00 -1.33 0.00 0.00 177.39 176.76 3m3i n GLN 21 N -0.25 -5.44 -2.02 3.23 6.02 -0.91 -4.81 117.38 113.20 3m3i n GLN 21 Ca 0.19 0.59 -0.40 0.00 -0.01 0.00 0.00 57.00 57.38 3m3i n GLN 21 Cb 0.24 -5.45 -0.00 0.00 1.02 0.00 0.00 30.24 26.05 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 -7.24 4.24 0.33 1.08 1.43 -0.61 -4.72 118.68 113.18 3m3i s LEU 22 Ca 0.61 2.71 0.05 0.00 -1.03 0.00 0.00 54.13 56.48 3m3i s LEU 22 Cb -0.31 -3.85 -0.06 0.00 0.03 0.00 0.00 46.19 41.99 3m3i s LEU 22 CO 0.83 -0.83 0.00 0.68 0.23 0.00 0.00 176.35 177.26 3m3i s VAL 23 N -1.23 1.52 0.37 -1.59 -7.23 0.52 -4.81 120.40 107.95 3m3i s VAL 23 Ca 0.56 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.41 3m3i s VAL 23 Cb -0.39 -2.71 -0.10 0.00 0.56 0.00 0.00 36.38 33.74 3m3i s VAL 23 CO 0.51 -0.11 1.30 -2.84 -0.31 0.00 0.00 175.10 173.65 3m3i s PRO 24 N -3.79 4.18 -0.09 4.82 0.02 -1.26 0.12 135.00 139.00 3m3i s PRO 24 Ca 0.34 2.17 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 3m3i s PRO 24 Cb 0.07 -2.92 -0.04 0.00 0.02 0.00 0.00 34.50 31.63 3m3i s PRO 24 CO 0.15 -0.32 0.11 -1.58 -0.33 0.00 0.00 177.00 175.03 3m3i s HIS 25 N -1.21 3.47 0.28 6.54 2.46 -0.85 -4.76 115.29 121.23 3m3i s HIS 25 Ca 0.53 0.41 -0.01 0.00 0.47 0.00 0.00 55.06 56.45 3m3i s HIS 25 Cb -0.39 -1.87 0.64 0.00 -0.13 0.00 0.00 32.58 30.83 3m3i s HIS 25 CO 0.50 0.65 1.61 -1.35 -2.47 0.00 0.00 174.74 173.69 3m3i h PRO 26 N 4.78 0.08 0.00 2.88 0.11 -1.95 -1.15 132.00 136.74 3m3i h PRO 26 Ca -0.53 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3m3i h PRO 26 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3m3i h PRO 26 CO 0.59 0.05 -0.19 1.05 -0.21 0.00 0.00 178.00 179.29 3m3i h GLU 27 N 0.08 0.00 0.00 1.05 4.11 -1.94 -3.49 114.58 114.39 3m3i h GLU 27 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 3m3i h GLU 27 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3m3i h GLU 27 CO -0.78 0.19 0.00 0.41 0.07 0.00 0.00 179.01 178.90 3m3i n GLY 28 N -0.19 3.01 6.23 1.06 0.00 -0.44 -0.67 105.19 114.19 3m3i n GLY 28 Ca -0.01 -1.92 0.01 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.50 -1.66 3.37 -0.02 0.00 -1.08 -4.38 105.19 99.92 3m3i n GLY 29 Ca 0.00 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.18 2.10 0.20 1.61 1.51 0.20 -2.00 117.35 120.79 3m3i s TYR 30 Ca 0.00 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.49 3m3i s TYR 30 Cb 0.00 -1.08 0.02 0.00 -0.11 0.00 0.00 41.96 40.79 3m3i s TYR 30 CO 0.00 0.38 0.52 1.52 -1.11 0.00 0.00 175.55 176.86 3m3i s TYR 31 N -1.54 -0.07 -0.06 2.71 -0.00 0.12 -1.78 117.35 116.73 3m3i s TYR 31 Ca 0.16 -0.28 -0.16 0.00 -0.00 0.00 0.00 57.07 56.79 3m3i s TYR 31 Cb -0.08 0.38 0.03 0.00 -0.00 0.00 0.00 41.96 42.29 3m3i s TYR 31 CO 0.07 -0.93 0.36 -1.54 -0.00 0.00 0.00 175.55 173.52 3m3i s SER 32 N -2.89 -0.29 0.15 -0.18 1.04 -1.05 -0.35 113.70 110.12 3m3i s SER 32 Ca 0.10 0.35 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 3m3i s SER 32 Cb -0.01 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.52 3m3i s SER 32 CO -0.01 -0.37 1.07 -1.61 0.98 0.00 0.00 173.24 173.30 3m3i s GLU 33 N -0.85 4.60 -0.00 4.02 2.02 -1.26 -1.88 118.70 125.34 3m3i s GLU 33 Ca -0.09 1.65 -0.00 0.00 0.02 0.00 0.00 54.97 56.54 3m3i s GLU 33 Cb -0.04 -3.31 -0.00 0.00 0.10 0.00 0.00 34.13 30.87 3m3i s GLU 33 CO 0.04 0.08 -0.01 0.28 0.02 0.00 0.00 175.26 175.66 3m3i n VAL 34 N 2.66 0.05 -4.24 2.63 0.31 -0.88 -4.94 118.33 113.92 3m3i n VAL 34 Ca 0.03 0.36 -0.14 0.00 -0.01 0.00 0.00 64.34 64.59 3m3i n VAL 34 Cb 0.47 -1.40 -0.10 0.00 -0.91 0.00 0.00 33.84 31.90 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 -1.06 1.09 -0.16 2.52 -7.23 -1.25 -5.02 120.40 109.28 3m3i s VAL 35 Ca -0.01 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 3m3i s VAL 35 Cb 0.00 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 35.17 3m3i s VAL 35 CO 0.01 -0.76 0.11 -0.13 -0.31 0.00 0.00 175.10 174.03 3m3i s ARG 36 N -3.76 0.07 -0.19 4.82 0.52 -1.26 -1.83 118.95 117.31 3m3i s ARG 36 Ca 0.16 0.02 -0.43 0.00 -0.52 0.00 0.00 55.73 54.97 3m3i s ARG 36 Cb 0.03 -1.57 -0.20 0.00 0.52 0.00 0.00 34.95 33.73 3m3i s ARG 36 CO -0.00 -0.63 1.28 0.45 0.02 0.00 0.00 175.30 176.42 3m3i n SER 37 N 5.29 0.47 0.11 0.23 2.88 -0.87 -4.86 113.62 116.88 3m3i n SER 37 Ca -0.06 1.17 0.05 0.00 -1.33 0.00 0.00 58.87 58.69 3m3i n SER 37 Cb 0.49 -0.91 0.48 0.00 -0.75 0.00 0.00 64.21 63.52 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 3.79 1.73 -2.53 -1.46 0.00 -2.00 -3.41 119.26 115.38 3m3i h ALA 38 Ca -0.48 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 3m3i h ALA 38 Cb 1.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3m3i h ALA 38 CO 0.78 0.22 0.40 -1.58 0.00 0.00 0.00 179.25 179.07 3m3i s HIS 39 N -5.14 3.70 0.08 0.00 5.65 -1.26 -5.00 115.29 113.31 3m3i s HIS 39 Ca -0.06 1.69 0.03 0.00 0.25 0.00 0.00 55.06 56.96 3m3i s HIS 39 Cb 0.17 -3.15 -0.04 0.00 -1.18 0.00 0.00 32.58 28.38 3m3i s HIS 39 CO 0.71 -0.14 0.09 0.15 -0.65 0.00 0.00 174.74 174.90 3m3i s LYS 40 N 0.34 2.93 0.16 2.88 1.02 -1.26 -1.02 119.74 124.79 3m3i s LYS 40 Ca 0.50 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 3m3i s LYS 40 Cb -0.24 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3m3i s LYS 40 CO 0.30 0.57 0.11 0.14 -0.92 0.00 0.00 175.35 175.55 3m3i s VAL 41 N -1.39 0.06 0.00 3.17 -7.23 0.50 -4.81 120.40 110.71 3m3i s VAL 41 Ca 0.30 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.31 3m3i s VAL 41 Cb -0.12 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 3m3i s VAL 41 CO 0.22 -0.29 0.83 -1.81 -0.31 0.00 0.00 175.10 173.75 3m3i s ASP 42 N -3.08 7.22 0.39 4.85 1.01 -1.26 -0.20 116.67 125.60 3m3i s ASP 42 Ca 0.29 1.47 0.00 0.00 0.71 0.00 0.00 52.55 55.01 3m3i s ASP 42 Cb 0.07 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.50 3m3i s ASP 42 CO 0.05 -0.12 0.00 -0.46 0.21 0.00 0.00 175.17 174.85 3m3i n ASN 43 N 3.47 0.00 0.22 0.27 6.94 0.13 -4.89 115.26 121.40 3m3i n ASN 43 Ca 0.01 -0.54 0.15 0.00 -0.02 0.00 0.00 54.58 54.18 3m3i n ASN 43 Cb 0.51 0.00 0.62 0.00 -2.36 0.00 0.00 39.78 38.55 3m3i n ASN 43 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3m3i h GLU 44 N 0.00 0.00 -0.27 -3.83 3.07 -1.88 -2.76 114.58 108.91 3m3i h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3m3i h GLU 44 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3m3i h GLU 44 CO 0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 3m3i n GLU 45 N -2.75 2.86 0.00 2.33 1.02 -1.26 -4.96 120.64 117.88 3m3i n GLU 45 Ca 0.01 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.56 3m3i n GLU 45 Cb 0.27 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.26 2.31 3.81 0.62 0.00 -1.04 -5.04 105.19 105.58 3m3i n GLY 46 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.63 7.03 -0.27 1.61 0.01 -1.26 -4.56 114.94 115.87 3m3i s ASN 47 Ca 0.00 1.58 -0.29 0.00 -0.71 0.00 0.00 52.86 53.44 3m3i s ASN 47 Cb 0.00 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.18 3m3i s ASN 47 CO 0.00 -0.16 1.09 -0.13 -1.51 0.00 0.00 177.10 176.39 3m3i s ARG 48 N -2.58 4.15 0.26 -0.60 1.81 -1.26 0.21 118.95 120.94 3m3i s ARG 48 Ca 0.53 1.24 0.03 0.00 -1.72 0.00 0.00 55.73 55.81 3m3i s ARG 48 Cb -0.13 -3.71 -0.05 0.00 -0.45 0.00 0.00 34.95 30.60 3m3i s ARG 48 CO 0.19 -0.79 0.03 1.03 -0.68 0.00 0.00 175.30 175.07 3m3i s ARG 49 N 3.50 1.44 0.46 3.54 1.81 0.72 -4.95 118.95 125.47 3m3i s ARG 49 Ca 0.46 -1.76 -0.23 0.00 -1.72 0.00 0.00 55.73 52.48 3m3i s ARG 49 Cb -0.14 -0.62 -0.07 0.00 -0.45 0.00 0.00 34.95 33.67 3m3i s ARG 49 CO 0.12 -0.16 1.21 -1.01 -0.68 0.00 0.00 175.30 174.78 3m3i s HIS 50 N -3.45 2.80 0.32 -0.53 3.76 -1.26 -0.37 115.29 116.56 3m3i s HIS 50 Ca 0.32 1.50 0.09 0.00 -0.15 0.00 0.00 55.06 56.83 3m3i s HIS 50 Cb 0.07 -3.47 0.88 0.00 1.11 0.00 0.00 32.58 31.16 3m3i s HIS 50 CO 0.12 -1.75 1.73 0.00 -0.85 0.00 0.00 174.74 173.99 3m3i h ALA 51 N 2.07 1.79 -2.08 -1.40 0.00 -1.31 0.72 119.26 119.04 3m3i h ALA 51 Ca -0.50 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3m3i h ALA 51 Cb 1.25 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 3m3i h ALA 51 CO 0.60 -0.25 0.18 1.52 0.00 0.00 0.00 179.25 181.30 3m3i s TYR 52 N -5.78 -0.64 0.01 0.00 -0.85 -1.26 -3.56 117.35 105.28 3m3i s TYR 52 Ca -0.11 1.05 0.05 0.00 -0.52 0.00 0.00 57.07 57.54 3m3i s TYR 52 Cb 0.27 0.41 -0.02 0.00 0.38 0.00 0.00 41.96 43.00 3m3i s TYR 52 CO 0.80 -0.62 -0.14 0.95 -1.52 0.00 0.00 175.55 175.01 3m3i s THR 53 N -1.37 1.13 0.19 -3.49 -4.23 -0.73 -2.04 115.64 105.09 3m3i s THR 53 Ca -0.10 -0.77 0.10 0.00 -1.18 0.00 0.00 61.69 59.74 3m3i s THR 53 Cb -0.00 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 3m3i s THR 53 CO 0.08 0.19 -0.20 0.42 -0.54 0.00 0.00 174.62 174.58 3m3i s THR 54 N -0.54 2.04 0.14 3.99 -4.23 -0.76 -1.29 115.64 114.99 3m3i s THR 54 Ca 0.04 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 3m3i s THR 54 Cb -0.06 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 3m3i s THR 54 CO 0.00 -0.29 0.19 0.27 -0.54 0.00 0.00 174.62 174.25 3m3i s ILE 55 N -2.06 0.09 -0.12 2.99 -4.36 -0.59 -2.08 121.20 115.08 3m3i s ILE 55 Ca 0.19 -1.53 -0.13 0.00 -0.26 0.00 0.00 60.65 58.92 3m3i s ILE 55 Cb -0.06 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 3m3i s ILE 55 CO 0.08 -0.43 0.29 -0.31 0.24 0.00 0.00 174.94 174.82 3m3i s TYR 56 N -3.97 3.54 -0.08 1.37 2.02 -0.79 -2.25 117.35 117.19 3m3i s TYR 56 Ca 0.17 0.67 0.03 0.00 -0.37 0.00 0.00 57.07 57.57 3m3i s TYR 56 Cb 0.05 -2.27 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 3m3i s TYR 56 CO -0.01 0.40 -0.18 0.12 -1.57 0.00 0.00 175.55 174.30 3m3i s PHE 57 N -0.10 2.00 0.02 2.71 5.36 0.24 -2.53 117.98 125.69 3m3i s PHE 57 Ca 0.18 -0.76 0.08 0.00 -0.96 0.00 0.00 56.93 55.46 3m3i s PHE 57 Cb -0.14 -1.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.14 3m3i s PHE 57 CO 0.06 -0.32 -0.22 -1.17 -1.46 0.00 0.00 175.22 172.10 3m3i s LEU 58 N 0.42 2.12 -0.00 6.12 0.20 -0.73 -0.44 118.68 126.36 3m3i s LEU 58 Ca -0.15 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.21 3m3i s LEU 58 Cb -0.16 -1.10 -0.01 0.00 -0.43 0.00 0.00 46.19 44.49 3m3i s LEU 58 CO 0.06 0.22 -0.09 0.00 -0.29 0.00 0.00 176.35 176.25 3m3i s THR 60 N -0.32 1.37 0.36 0.00 -4.23 -1.20 -1.84 115.64 109.79 3m3i s THR 60 Ca 0.02 -2.07 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 3m3i s THR 60 Cb -0.04 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.63 3m3i s THR 60 CO -0.00 -0.26 1.92 -0.65 -0.54 0.00 0.00 174.62 175.09 3m3i h PRO 61 N 2.31 0.69 0.00 3.99 0.11 -1.76 -2.34 132.00 135.00 3m3i h PRO 61 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3m3i h PRO 61 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3m3i h PRO 61 CO 0.67 0.46 -0.19 0.39 -0.21 0.00 0.00 178.00 179.12 3m3i n GLU 62 N -4.51 0.19 -3.26 1.05 1.02 -1.26 -4.44 120.64 109.43 3m3i n GLU 62 Ca 0.14 0.12 -0.25 0.00 -0.02 0.00 0.00 57.16 57.15 3m3i n GLU 62 Cb 0.36 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.99 0.39 -4.76 1.62 2.88 -0.88 -5.04 113.62 105.83 3m3i n SER 63 Ca 0.05 -2.70 -0.31 0.00 -1.33 0.00 0.00 58.87 54.58 3m3i n SER 63 Cb 0.40 -0.63 0.10 0.00 -0.75 0.00 0.00 64.21 63.33 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 -1.07 2.13 -0.32 -1.46 0.04 -1.21 -2.62 135.00 130.49 3m3i s PRO 64 Ca 0.35 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 3m3i s PRO 64 Cb 0.14 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3m3i s PRO 64 CO -0.12 -1.71 0.81 0.45 0.04 0.00 0.00 177.00 176.47 3m3i s SER 65 N -3.45 6.66 0.56 6.66 0.15 -0.33 -3.30 113.70 120.64 3m3i s SER 65 Ca 0.61 0.62 -0.10 0.00 0.70 0.00 0.00 55.95 57.78 3m3i s SER 65 Cb -0.17 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 3m3i s SER 65 CO 0.56 -0.66 0.94 -1.00 1.20 0.00 0.00 173.24 174.28 3m3i s HIS 66 N 3.04 3.58 0.14 3.44 3.76 0.16 -1.17 115.29 128.25 3m3i s HIS 66 Ca 0.33 1.15 -0.35 0.00 -0.15 0.00 0.00 55.06 56.05 3m3i s HIS 66 Cb -0.14 -2.59 -0.15 0.00 1.11 0.00 0.00 32.58 30.82 3m3i s HIS 66 CO 0.14 -0.50 1.42 1.28 -0.85 0.00 0.00 174.74 176.23 3m3i n LEU 67 N -2.40 2.35 -3.89 0.89 4.77 -0.45 -4.65 117.00 113.63 3m3i n LEU 67 Ca 0.04 1.11 -0.08 0.00 -0.03 0.00 0.00 56.01 57.05 3m3i n LEU 67 Cb 0.54 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 3m3i n LEU 67 CO 0.55 -0.72 0.41 -1.38 -1.33 0.00 0.00 177.39 174.91 3m3i s HIS 68 N 0.52 0.04 0.01 -1.77 -3.43 -0.49 -2.89 115.29 107.29 3m3i s HIS 68 Ca 0.79 -0.52 0.00 0.00 -0.80 0.00 0.00 55.06 54.54 3m3i s HIS 68 Cb -0.80 0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 30.93 3m3i s HIS 68 CO 0.44 -1.25 -0.02 0.50 -2.00 0.00 0.00 174.74 172.41 3m3i s ARG 69 N -3.57 0.18 0.08 -0.38 3.52 -0.27 -1.08 118.95 117.43 3m3i s ARG 69 Ca 0.15 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 3m3i s ARG 69 Cb -0.04 -0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.32 3m3i s ARG 69 CO 0.09 -0.00 0.02 1.28 -0.81 0.00 0.00 175.30 175.88 3m3i n LEU 70 N 2.46 0.00 0.00 -0.88 4.77 -1.26 -2.23 117.00 119.86 3m3i n LEU 70 Ca -0.17 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3m3i n LEU 70 Cb 0.58 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3m3i n LEU 70 CO 0.24 -0.15 0.31 0.00 -1.33 0.00 0.00 177.39 176.46 3m3i s SER 72 N -0.34 3.24 0.38 0.00 0.01 -1.26 -4.62 113.70 111.11 3m3i s SER 72 Ca 0.00 -1.10 -0.27 0.00 1.31 0.00 0.00 55.95 55.89 3m3i s SER 72 Cb 0.00 -0.25 -0.09 0.00 0.21 0.00 0.00 66.02 65.89 3m3i s SER 72 CO 0.00 -0.14 1.28 -1.81 0.41 0.00 0.00 173.24 172.98 3m3i s ASP 73 N -3.48 6.49 -0.14 2.44 -0.00 -1.25 -3.66 116.67 117.07 3m3i s ASP 73 Ca 0.29 2.60 0.02 0.00 -0.00 0.00 0.00 52.55 55.46 3m3i s ASP 73 Cb -0.01 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 3m3i s ASP 73 CO 0.13 -0.72 -0.19 -0.70 -0.00 0.00 0.00 175.17 173.69 3m3i s GLU 74 N -2.11 3.11 -0.19 8.23 2.12 -0.90 -2.19 118.70 126.77 3m3i s GLU 74 Ca 0.54 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.98 3m3i s GLU 74 Cb -0.37 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.46 3m3i s GLU 74 CO 0.48 0.01 0.10 0.99 -0.54 0.00 0.00 175.26 176.30 3m3i s THR 75 N 0.79 5.13 -0.20 -1.70 2.01 0.14 0.61 115.64 122.41 3m3i s THR 75 Ca -0.07 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 3m3i s THR 75 Cb -0.16 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 3m3i s THR 75 CO -0.00 0.46 -0.01 0.26 -0.69 0.00 0.00 174.62 174.64 3m3i s TRP 76 N 0.26 3.02 -0.14 4.92 0.52 0.28 -1.06 118.94 126.74 3m3i s TRP 76 Ca 0.06 -0.55 0.01 0.00 0.02 0.00 0.00 56.10 55.65 3m3i s TRP 76 Cb -0.12 -2.09 -0.00 0.00 -1.15 0.00 0.00 33.47 30.12 3m3i s TRP 76 CO -0.01 -0.30 -0.17 -1.64 0.02 0.00 0.00 176.95 174.86 3m3i s MET 77 N 1.09 3.20 0.21 4.98 -1.94 0.18 -2.10 119.30 124.93 3m3i s MET 77 Ca 0.02 -0.77 -0.30 0.00 -1.71 0.00 0.00 55.69 52.94 3m3i s MET 77 Cb -0.14 -2.56 -0.08 0.00 2.01 0.00 0.00 34.83 34.05 3m3i s MET 77 CO 0.01 0.07 1.15 -0.47 -0.01 0.00 0.00 175.02 175.77 3m3i s TYR 78 N 0.66 3.50 0.01 -0.03 6.14 -0.38 -1.17 117.35 126.08 3m3i s TYR 78 Ca -0.08 1.54 0.00 0.00 0.64 0.00 0.00 57.07 59.17 3m3i s TYR 78 Cb -0.16 -3.36 0.00 0.00 0.42 0.00 0.00 41.96 38.87 3m3i s TYR 78 CO 0.02 -0.89 0.00 0.72 0.64 0.00 0.00 175.55 176.04 3m3i n HIS 79 N 2.11 -0.02 -3.57 4.97 8.25 -0.92 -4.92 115.22 121.12 3m3i n HIS 79 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3m3i n HIS 79 Cb 0.45 0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 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 -2.00 -1.42 0.00 -1.41 0.00 -1.09 -5.03 121.76 110.82 3m3i s ALA 80 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3m3i s ALA 80 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 3m3i s ALA 80 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.33 3m3i n GLY 81 N -0.39 -0.84 3.77 0.00 0.00 -1.26 -1.20 105.19 105.26 3m3i n GLY 81 Ca -0.13 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 4.63 0.43 1.61 1.01 0.61 -4.92 116.67 116.05 3m3i s ASP 82 Ca 0.00 1.85 -0.26 0.00 0.71 0.00 0.00 52.55 54.85 3m3i s ASP 82 Cb 0.00 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 3m3i s ASP 82 CO 0.00 -1.95 1.46 -2.16 0.21 0.00 0.00 175.17 172.73 3m3i s PRO 83 N -4.75 3.82 -0.19 8.23 0.04 -1.26 -4.41 135.00 136.47 3m3i s PRO 83 Ca 0.62 2.50 -0.17 0.00 0.04 0.00 0.00 61.00 63.99 3m3i s PRO 83 Cb -0.18 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3m3i s PRO 83 CO 0.53 -0.74 0.45 -1.17 0.04 0.00 0.00 177.00 176.11 3m3i s LEU 84 N -2.52 4.17 -0.38 -3.56 2.96 0.79 -4.70 118.68 115.44 3m3i s LEU 84 Ca 0.58 0.60 -0.22 0.00 -0.22 0.00 0.00 54.13 54.88 3m3i s LEU 84 Cb -0.45 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 43.65 3m3i s LEU 84 CO 0.60 -0.10 0.73 -1.58 -1.32 0.00 0.00 176.35 174.67 3m3i s GLN 85 N 1.34 3.65 -0.12 1.98 0.74 -0.10 -0.24 119.66 126.91 3m3i s GLN 85 Ca 0.22 0.12 -0.17 0.00 0.05 0.00 0.00 55.36 55.58 3m3i s GLN 85 Cb -0.15 -3.84 -0.04 0.00 1.10 0.00 0.00 33.01 30.08 3m3i s GLN 85 CO 0.09 -0.86 0.43 -0.51 -0.55 0.00 0.00 175.29 173.89 3m3i s LEU 86 N 2.98 4.28 -0.35 3.68 1.43 0.15 -1.10 118.68 129.75 3m3i s LEU 86 Ca 0.28 0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 54.07 3m3i s LEU 86 Cb -0.13 -2.61 0.05 0.00 0.03 0.00 0.00 46.19 43.52 3m3i s LEU 86 CO 0.17 0.04 0.11 -1.00 0.23 0.00 0.00 176.35 175.90 3m3i s HIS 87 N 0.50 3.29 -0.18 0.29 3.76 -0.20 -1.26 115.29 121.49 3m3i s HIS 87 Ca 0.24 -1.58 0.01 0.00 -0.15 0.00 0.00 55.06 53.58 3m3i s HIS 87 Cb -0.15 -2.40 0.03 0.00 1.11 0.00 0.00 32.58 31.18 3m3i s HIS 87 CO 0.09 -0.77 -0.14 0.08 -0.85 0.00 0.00 174.74 173.15 3m3i s VAL 88 N 1.36 1.77 -0.42 -0.90 1.01 -0.44 -1.80 120.40 120.99 3m3i s VAL 88 Ca -0.01 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 3m3i s VAL 88 Cb -0.20 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.50 3m3i s VAL 88 CO 0.02 0.34 0.30 -0.63 0.00 0.00 0.00 175.10 175.13 3m3i s ILE 89 N 1.37 4.99 0.06 2.22 1.01 0.29 -0.85 121.20 130.29 3m3i s ILE 89 Ca 0.02 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.50 3m3i s ILE 89 Cb -0.15 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 3m3i s ILE 89 CO -0.10 -0.38 0.87 -0.76 0.00 0.00 0.00 174.94 174.57 3m3i s LEU 90 N 1.61 4.45 0.10 2.97 1.43 -0.83 -1.54 118.68 126.87 3m3i s LEU 90 Ca 0.04 1.60 -0.23 0.00 -1.03 0.00 0.00 54.13 54.51 3m3i s LEU 90 Cb -0.21 -3.41 -0.13 0.00 0.03 0.00 0.00 46.19 42.47 3m3i s LEU 90 CO 0.08 -0.06 1.73 0.50 0.23 0.00 0.00 176.35 178.82 3m3i h LYS 91 N 5.85 -0.05 -4.86 1.70 3.64 -1.90 -3.23 116.57 117.72 3m3i h LYS 91 Ca -0.43 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.64 3m3i h LYS 91 Cb 1.21 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.90 3m3i h LYS 91 CO 0.72 -0.03 -0.66 -0.51 -2.27 0.00 0.00 179.45 176.70 3m3i s ASP 92 N -5.15 1.32 -0.11 4.20 1.01 -1.26 -1.18 116.67 115.51 3m3i s ASP 92 Ca -0.13 -1.20 -0.16 0.00 0.71 0.00 0.00 52.55 51.76 3m3i s ASP 92 Cb 0.07 0.10 -0.19 0.00 1.01 0.00 0.00 42.92 43.91 3m3i s ASP 92 CO 0.66 -0.57 1.18 -2.65 0.21 0.00 0.00 175.17 174.00 3m3i n PRO 93 N -0.30 0.01 -0.44 8.23 -0.02 -1.26 -4.64 135.00 136.58 3m3i n PRO 93 Ca -0.06 -0.61 0.09 0.00 -2.02 0.00 0.00 63.50 60.90 3m3i n PRO 93 Cb 0.64 -1.96 0.29 0.00 -0.02 0.00 0.00 33.50 32.45 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 6.04 3.22 0.00 -0.52 6.02 -1.26 -4.20 117.38 126.69 3m3i n GLN 94 Ca 0.25 -2.64 -0.11 0.00 -0.01 0.00 0.00 57.00 54.49 3m3i n GLN 94 Cb 0.37 -1.67 0.03 0.00 1.02 0.00 0.00 30.24 29.99 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 3.43 0.66 -0.30 1.08 3.32 -1.96 -3.34 116.42 119.31 3m3i h ASP 95 Ca 0.00 -0.37 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 3m3i h ASP 95 Cb 1.18 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3m3i h ASP 95 CO 0.12 1.10 -0.20 -0.33 -1.72 0.00 0.00 179.24 178.21 3m3i h GLU 96 N 0.44 0.77 0.00 3.56 4.39 -1.98 -2.94 114.58 118.82 3m3i h GLU 96 Ca -0.00 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 3m3i h GLU 96 Cb 1.15 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3m3i h GLU 96 CO 0.11 0.91 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.36 3m3i h ASP 97 N 0.68 0.00 0.00 1.42 3.45 -1.84 -3.56 116.42 116.57 3m3i h ASP 97 Ca 0.10 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.56 3m3i h ASP 97 Cb 0.70 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.47 3m3i h ASP 97 CO 0.05 0.06 -1.27 -2.11 -1.57 0.00 0.00 179.24 174.41 3m3i n ARG 98 N -3.60 0.22 0.00 3.56 -4.01 -1.11 -5.20 116.66 106.51 3m3i n ARG 98 Ca -0.02 -0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 3m3i n ARG 98 Cb 0.18 -1.14 0.00 0.00 -3.04 0.00 0.00 32.46 28.46 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 -1.71 0.00 -1.69 2.89 3.00 -1.26 -5.08 116.66 112.82 3m3i n ARG 117 Ca -0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.39 3m3i n ARG 117 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.58 3m3i n ARG 117 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3m3i n PRO 118 N 0.00 2.47 -2.63 -0.14 -0.02 -1.26 -4.99 135.00 128.43 3m3i n PRO 118 Ca 0.00 0.90 -0.22 0.00 -2.02 0.00 0.00 63.50 62.15 3m3i n PRO 118 Cb 0.00 -2.73 0.04 0.00 -0.02 0.00 0.00 33.50 30.79 3m3i n PRO 118 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3m3i s LYS 119 N 1.96 2.61 -1.47 -0.52 -0.14 -1.26 -4.51 119.74 116.41 3m3i s LYS 119 Ca 0.81 -0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 54.70 3m3i s LYS 119 Cb -0.59 -2.44 0.06 0.00 -1.68 0.00 0.00 37.83 33.18 3m3i s LYS 119 CO 0.38 -0.70 0.88 0.66 -0.76 0.00 0.00 175.35 175.81 3m3i n TYR 120 N -2.39 -2.27 0.07 3.18 4.01 -0.32 -4.90 117.16 114.53 3m3i n TYR 120 Ca 0.07 0.79 -0.22 0.00 -0.16 0.00 0.00 57.90 58.37 3m3i n TYR 120 Cb 0.59 -4.09 -0.15 0.00 -0.31 0.00 0.00 39.34 35.38 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 -1.90 0.37 -5.70 -0.72 4.20 -1.79 -3.47 115.11 106.10 3m3i h GLN 121 Ca -0.55 -0.64 -0.59 0.00 0.06 0.00 0.00 58.65 56.93 3m3i h GLN 121 Cb 1.36 0.24 -0.08 0.00 0.30 0.00 0.00 27.48 29.30 3m3i h GLN 121 CO 0.61 1.31 -0.24 0.08 -0.67 0.00 0.00 178.83 179.92 3m3i s VAL 122 N -2.52 5.21 -0.12 -0.54 1.01 -1.26 -5.01 120.40 117.16 3m3i s VAL 122 Ca -0.15 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3m3i s VAL 122 Cb 0.04 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 3m3i s VAL 122 CO 0.85 0.42 -0.19 -0.47 0.00 0.00 0.00 175.10 175.71 3m3i s TYR 123 N 0.11 2.69 -0.10 5.22 5.04 -1.26 -1.97 117.35 127.08 3m3i s TYR 123 Ca 0.21 -0.97 0.02 0.00 -2.44 0.00 0.00 57.07 53.89 3m3i s TYR 123 Cb -0.14 -1.80 0.01 0.00 0.35 0.00 0.00 41.96 40.38 3m3i s TYR 123 CO 0.08 -0.40 -0.17 1.03 -1.34 0.00 0.00 175.55 174.76 3m3i s ARG 124 N 0.50 2.31 -0.24 4.97 0.52 -0.03 -5.00 118.95 121.98 3m3i s ARG 124 Ca -0.13 -0.61 -0.15 0.00 -0.52 0.00 0.00 55.73 54.33 3m3i s ARG 124 Cb -0.17 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 3m3i s ARG 124 CO 0.05 0.00 0.37 0.50 0.02 0.00 0.00 175.30 176.24 3m3i s ARG 125 N 0.80 4.09 -0.02 3.54 3.52 -1.26 -1.33 118.95 128.29 3m3i s ARG 125 Ca -0.10 0.09 0.05 0.00 -0.13 0.00 0.00 55.73 55.64 3m3i s ARG 125 Cb -0.16 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 3m3i s ARG 125 CO 0.01 -0.15 -0.17 0.08 -0.81 0.00 0.00 175.30 174.26 3m3i s VAL 126 N 1.67 1.37 -0.35 7.11 1.01 -0.39 -4.98 120.40 125.84 3m3i s VAL 126 Ca 0.16 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 3m3i s VAL 126 Cb -0.15 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3m3i s VAL 126 CO 0.09 0.39 0.18 -0.76 0.00 0.00 0.00 175.10 175.00 3m3i s LEU 127 N -0.32 4.51 -0.35 3.92 1.43 -1.26 0.31 118.68 126.93 3m3i s LEU 127 Ca 0.05 -0.86 -0.27 0.00 -1.03 0.00 0.00 54.13 52.02 3m3i s LEU 127 Cb -0.08 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3m3i s LEU 127 CO -0.00 -0.32 0.96 -0.69 0.23 0.00 0.00 176.35 176.53 3m3i s VAL 128 N 1.56 4.57 0.06 -1.59 1.01 0.67 -0.69 120.40 126.00 3m3i s VAL 128 Ca 0.03 1.37 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 3m3i s VAL 128 Cb -0.19 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 31.91 3m3i s VAL 128 CO 0.06 -0.50 0.79 0.61 0.00 0.00 0.00 175.10 176.06 3m3i n GLY 129 N 4.21 0.60 0.06 4.51 0.00 -0.39 -0.15 105.19 114.03 3m3i n GLY 129 Ca 0.08 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 45.10 3m3i n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i n ALA 130 N -1.52 2.28 -1.92 4.61 0.00 -1.26 -2.43 120.51 120.27 3m3i n ALA 130 Ca -0.09 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 3m3i n ALA 130 Cb 0.40 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.54 2.99 0.30 0.00 1.74 -1.26 -4.72 116.66 113.16 3m3i n ARG 131 Ca -0.13 -2.81 0.17 0.00 -0.77 0.00 0.00 57.85 54.32 3m3i n ARG 131 Cb 0.78 -3.27 0.95 0.00 -1.02 0.00 0.00 32.46 29.90 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 4.18 0.35 0.00 1.55 -1.51 -1.83 0.69 116.25 119.69 3m3i h VAL 132 Ca 0.53 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.85 3m3i h VAL 132 Cb 0.67 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3m3i h VAL 132 CO 1.80 0.03 0.00 1.05 -1.23 0.00 0.00 177.57 179.21 3m3i h GLU 133 N 0.00 0.00 -0.67 5.19 9.09 -1.86 -1.97 114.58 124.36 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 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 3m3i h GLU 133 CO 0.00 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.60 3m3i n ARG 134 N -2.91 2.85 -0.53 1.06 1.74 0.23 -4.94 116.66 114.16 3m3i n ARG 134 Ca 0.00 -2.50 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 3m3i n ARG 134 Cb 0.25 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.44 0.74 3.82 -0.13 0.00 -0.74 -5.05 105.19 105.28 3m3i n GLY 135 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.47 3.66 -0.13 1.61 2.02 -1.18 -4.70 118.70 119.51 3m3i s GLU 136 Ca 0.00 1.07 0.02 0.00 0.02 0.00 0.00 54.97 56.07 3m3i s GLU 136 Cb 0.00 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.16 3m3i s GLU 136 CO 0.00 -0.52 -0.17 -0.51 0.02 0.00 0.00 175.26 174.08 3m3i s LEU 137 N -4.28 1.85 0.35 1.80 1.43 0.13 -4.12 118.68 115.85 3m3i s LEU 137 Ca 0.61 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3m3i s LEU 137 Cb -0.13 -1.23 0.66 0.00 0.03 0.00 0.00 46.19 45.53 3m3i s LEU 137 CO 0.34 0.02 1.96 -0.07 0.23 0.00 0.00 176.35 178.83 3m3i h LEU 138 N 7.50 0.58 -8.26 1.79 3.38 -1.79 -1.04 115.31 117.48 3m3i h LEU 138 Ca -0.33 -0.06 -0.48 0.00 0.09 0.00 0.00 57.88 57.10 3m3i h LEU 138 Cb 1.17 -0.15 -0.28 0.00 0.09 0.00 0.00 40.66 41.50 3m3i h LEU 138 CO 0.52 0.51 -0.81 -1.58 0.09 0.00 0.00 178.44 177.17 3m3i s GLN 139 N -5.35 1.12 0.01 1.13 0.74 -1.26 -1.25 119.66 114.81 3m3i s GLN 139 Ca -0.09 -0.59 -0.19 0.00 0.05 0.00 0.00 55.36 54.54 3m3i s GLN 139 Cb 0.17 -1.10 0.04 0.00 1.10 0.00 0.00 33.01 33.21 3m3i s GLN 139 CO 0.76 0.29 0.43 -0.47 -0.55 0.00 0.00 175.29 175.75 3m3i s TYR 140 N -0.48 -0.31 -0.11 1.67 5.04 -0.89 -5.00 117.35 117.26 3m3i s TYR 140 Ca 0.05 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 3m3i s TYR 140 Cb -0.06 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.48 3m3i s TYR 140 CO 0.00 -0.53 -0.17 0.99 -1.34 0.00 0.00 175.55 174.50 3m3i s THR 141 N -1.96 1.63 -0.46 4.34 2.01 -1.26 0.10 115.64 120.04 3m3i s THR 141 Ca -0.08 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 3m3i s THR 141 Cb -0.02 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 71.06 3m3i s THR 141 CO 0.01 0.47 0.66 -0.69 -0.69 0.00 0.00 174.62 174.38 3m3i s VAL 142 N 0.85 4.81 0.55 3.82 1.01 0.20 -4.93 120.40 126.71 3m3i s VAL 142 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 3m3i s VAL 142 Cb -0.15 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3m3i s VAL 142 CO 0.00 -0.67 1.34 -2.84 0.00 0.00 0.00 175.10 172.92 3m3i s PRO 143 N 2.86 3.12 0.27 2.72 0.02 -1.26 -2.12 135.00 140.61 3m3i s PRO 143 Ca 0.22 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 3m3i s PRO 143 Cb -0.15 -2.22 -0.11 0.00 0.02 0.00 0.00 34.50 32.04 3m3i s PRO 143 CO 0.18 -1.19 1.53 0.20 -0.33 0.00 0.00 177.00 177.39 3m3i s GLY 144 N -1.03 2.19 0.00 0.52 0.00 -1.24 -2.61 107.32 105.14 3m3i s GLY 144 Ca 0.72 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.92 3m3i s GLY 144 CO 0.46 2.45 0.00 0.61 0.00 0.00 0.00 173.10 176.62 3m3i n GLY 145 N 2.20 0.32 3.81 0.20 0.00 -1.14 -4.85 105.19 105.73 3m3i n GLY 145 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.36 -0.29 4.61 0.00 -1.07 -4.34 121.76 122.01 3m3i s ALA 146 Ca 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 3m3i s ALA 146 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 3m3i s ALA 146 CO 0.00 0.28 0.57 0.42 0.00 0.00 0.00 175.76 177.03 3m3i s ILE 147 N -1.55 5.00 0.10 0.00 1.01 -0.59 -4.28 121.20 120.89 3m3i s ILE 147 Ca 0.45 0.79 -0.09 0.00 0.00 0.00 0.00 60.65 61.80 3m3i s ILE 147 Cb -0.17 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3m3i s ILE 147 CO 0.22 -0.07 0.21 0.72 0.00 0.00 0.00 174.94 176.02 3m3i s PHE 148 N 2.46 0.15 0.31 3.97 -0.71 -0.24 -0.55 117.98 123.37 3m3i s PHE 148 Ca 0.23 -0.57 -0.16 0.00 -1.04 0.00 0.00 56.93 55.39 3m3i s PHE 148 Cb -0.15 -0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.64 3m3i s PHE 148 CO 0.11 -0.57 0.66 0.20 -1.34 0.00 0.00 175.22 174.28 3m3i s GLY 149 N -2.87 0.33 0.02 1.99 0.00 -0.75 -1.39 107.32 104.65 3m3i s GLY 149 Ca 0.06 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3m3i s GLY 149 CO -0.10 -0.36 -0.04 -1.35 0.00 0.00 0.00 173.10 171.25 3m3i s SER 150 N -3.01 0.44 0.11 1.64 1.04 -0.32 -1.03 113.70 112.57 3m3i s SER 150 Ca 0.17 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 3m3i s SER 150 Cb -0.04 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 3m3i s SER 150 CO 0.10 -0.15 0.08 -0.94 0.98 0.00 0.00 173.24 173.30 3m3i s SER 151 N -0.99 0.30 -0.01 7.02 1.04 -0.26 -1.19 113.70 119.62 3m3i s SER 151 Ca -0.08 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.32 3m3i s SER 151 Cb -0.07 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 3m3i s SER 151 CO -0.00 -0.72 -0.13 -0.69 0.98 0.00 0.00 173.24 172.67 3m3i s VAL 152 N -3.99 1.03 0.36 5.02 1.01 -1.26 -0.93 120.40 121.65 3m3i s VAL 152 Ca 0.18 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 3m3i s VAL 152 Cb 0.07 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 3m3i s VAL 152 CO -0.02 0.28 1.18 0.00 0.00 0.00 0.00 175.10 176.54 3m3i s ALA 153 N -0.32 3.27 -0.29 5.51 0.00 -1.26 -4.20 121.76 124.47 3m3i s ALA 153 Ca 0.05 1.00 0.25 0.00 0.00 0.00 0.00 51.96 53.27 3m3i s ALA 153 Cb -0.05 -3.39 0.60 0.00 0.00 0.00 0.00 23.12 20.28 3m3i s ALA 153 CO -0.00 -0.47 1.70 0.00 0.00 0.00 0.00 175.76 176.99 3m3i h ALA 154 N 3.02 0.99 -2.22 0.00 0.00 -1.89 -3.37 119.26 115.78 3m3i h ALA 154 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3m3i h ALA 154 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3m3i h ALA 154 CO 0.64 0.02 0.11 -0.25 0.00 0.00 0.00 179.25 179.77 3m3i n ASP 155 N -3.11 -0.70 -1.40 0.00 9.92 -1.24 -4.88 116.55 115.15 3m3i n ASP 155 Ca 0.03 -1.46 0.19 0.00 -0.53 0.00 0.00 54.79 53.01 3m3i n ASP 155 Cb 0.48 1.16 -0.05 0.00 -0.64 0.00 0.00 41.12 42.06 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 -0.18 -2.16 0.49 0.44 0.00 -1.26 -2.67 105.19 99.84 3m3i n GLY 156 Ca -0.02 -1.15 0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.64 1.36 1.34 4.61 0.00 -1.26 0.91 120.51 124.83 3m3i n ALA 157 Ca -0.01 0.69 0.13 0.00 0.00 0.00 0.00 53.44 54.25 3m3i n ALA 157 Cb 0.65 -0.95 0.43 0.00 0.00 0.00 0.00 19.45 19.57 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 -4.17 1.82 -3.04 0.00 9.92 -1.26 -4.56 116.55 115.27 3m3i n ASP 158 Ca 0.36 -1.63 -0.16 0.00 -0.53 0.00 0.00 54.79 52.84 3m3i n ASP 158 Cb 1.51 -0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 41.95 3m3i n ASP 158 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3m3i n GLY 159 N 1.21 3.21 0.07 0.44 0.00 0.26 -4.07 105.19 106.32 3m3i n GLY 159 Ca 0.18 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 0.16 0.82 -0.05 1.61 6.02 -1.25 -3.63 117.38 121.06 3m3i n GLN 160 Ca 0.22 -0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 57.14 3m3i n GLN 160 Cb 0.69 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 30.30 3m3i n GLN 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m3i n ALA 161 N -2.58 2.04 -0.29 -1.58 0.00 -1.26 -5.01 120.51 111.82 3m3i n ALA 161 Ca -0.24 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.24 3m3i n ALA 161 Cb 0.97 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3m3i n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m3i n GLY 162 N 1.53 0.73 3.65 0.00 0.00 -1.26 -4.78 105.19 105.06 3m3i n GLY 162 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.34 -0.17 -0.03 1.61 -0.85 -1.26 -4.36 117.35 109.96 3m3i s TYR 163 Ca 0.00 -0.03 -0.00 0.00 -0.52 0.00 0.00 57.07 56.52 3m3i s TYR 163 Cb 0.00 0.59 0.03 0.00 0.38 0.00 0.00 41.96 42.96 3m3i s TYR 163 CO 0.00 -0.60 0.03 0.45 -1.52 0.00 0.00 175.55 173.91 3m3i s SER 164 N -2.76 0.38 -0.16 -0.18 0.15 -0.77 -0.28 113.70 110.07 3m3i s SER 164 Ca 0.10 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.75 3m3i s SER 164 Cb -0.00 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 3m3i s SER 164 CO -0.02 -0.15 -0.04 -0.22 1.20 0.00 0.00 173.24 174.00 3m3i s LEU 165 N 1.31 3.17 0.24 3.45 2.96 -0.34 -2.10 118.68 127.37 3m3i s LEU 165 Ca -0.06 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3m3i s LEU 165 Cb -0.13 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3m3i s LEU 165 CO -0.03 0.14 0.11 0.68 -1.32 0.00 0.00 176.35 175.94 3m3i s VAL 166 N 0.53 0.35 -0.03 1.68 -7.23 0.41 -2.16 120.40 113.96 3m3i s VAL 166 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3m3i s VAL 166 Cb -0.14 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 3m3i s VAL 166 CO 0.03 0.00 0.01 -0.44 -0.31 0.00 0.00 175.10 174.39 3m3i s SER 167 N -3.27 5.21 0.13 4.85 0.01 -0.32 -0.59 113.70 119.72 3m3i s SER 167 Ca 0.38 0.06 0.10 0.00 1.31 0.00 0.00 55.95 57.80 3m3i s SER 167 Cb 0.07 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 3m3i s SER 167 CO 0.14 0.31 -0.26 0.00 0.41 0.00 0.00 173.24 173.84 3m3i s ILE 169 N -1.09 -0.18 -0.25 0.00 1.01 -0.22 -1.54 121.20 118.92 3m3i s ILE 169 Ca 0.13 0.33 -0.09 0.00 0.00 0.00 0.00 60.65 61.02 3m3i s ILE 169 Cb -0.10 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 3m3i s ILE 169 CO 0.06 0.12 0.12 -0.69 0.00 0.00 0.00 174.94 174.55 3m3i s VAL 170 N 2.23 4.86 -0.07 2.92 1.01 -0.41 -0.69 120.40 130.25 3m3i s VAL 170 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3m3i s VAL 170 Cb -0.12 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.01 3m3i s VAL 170 CO -0.05 0.32 0.04 -0.55 0.00 0.00 0.00 175.10 174.86 3m3i s SER 171 N 1.44 1.48 0.86 3.32 0.15 -0.93 -1.78 113.70 118.24 3m3i s SER 171 Ca 0.06 -0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.53 3m3i s SER 171 Cb -0.15 -0.29 0.11 0.00 -1.71 0.00 0.00 66.02 63.98 3m3i s SER 171 CO 0.06 -0.24 1.17 -2.84 1.20 0.00 0.00 173.24 172.59 3m3i s PRO 172 N 2.07 1.36 0.97 5.44 0.02 -1.26 -3.89 135.00 139.71 3m3i s PRO 172 Ca 0.05 1.61 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 3m3i s PRO 172 Cb -0.13 -1.76 0.16 0.00 0.02 0.00 0.00 34.50 32.80 3m3i s PRO 172 CO -0.05 -2.39 1.05 0.41 -0.33 0.00 0.00 177.00 175.69 3m3i n GLY 173 N 0.23 -0.81 3.77 0.52 0.00 0.25 -4.74 105.19 104.41 3m3i n GLY 173 Ca 0.12 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 3m3i n GLY 173 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m3i s PHE 174 N -2.58 3.30 -0.19 1.61 5.36 -1.26 -4.73 117.98 119.49 3m3i s PHE 174 Ca 0.66 1.63 -0.11 0.00 -0.96 0.00 0.00 56.93 58.15 3m3i s PHE 174 Cb -0.23 -3.27 0.06 0.00 -0.34 0.00 0.00 43.02 39.24 3m3i s PHE 174 CO 0.60 -0.83 0.47 0.34 -1.46 0.00 0.00 175.22 174.34 3m3i s ASP 175 N -1.19 -0.61 0.21 6.13 2.15 -1.26 -4.88 116.67 117.22 3m3i s ASP 175 Ca 0.53 1.03 0.13 0.00 0.43 0.00 0.00 52.55 54.67 3m3i s ASP 175 Cb -0.28 0.91 0.73 0.00 -0.30 0.00 0.00 42.92 43.98 3m3i s ASP 175 CO 0.36 -0.20 1.40 -1.22 -0.17 0.00 0.00 175.17 175.34 3m3i n TYR 176 N 4.22 0.46 0.29 -5.34 4.01 -1.26 -0.51 117.16 119.03 3m3i n TYR 176 Ca -0.22 0.24 0.17 0.00 -0.16 0.00 0.00 57.90 57.93 3m3i n TYR 176 Cb 0.56 -0.87 0.70 0.00 -0.31 0.00 0.00 39.34 39.42 3m3i n TYR 176 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3m3i h ARG 177 N 0.00 0.00 -0.49 -0.72 3.08 -2.02 -2.98 114.38 111.25 3m3i h ARG 177 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3m3i h ARG 177 Cb 0.03 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 3m3i h ARG 177 CO 0.00 0.00 0.11 -0.25 -1.07 0.00 0.00 179.97 178.76 3m3i n ASP 178 N -3.02 3.83 -4.17 7.04 8.00 0.34 -4.92 116.55 123.65 3m3i n ASP 178 Ca 0.00 -3.33 -0.35 0.00 0.71 0.00 0.00 54.79 51.82 3m3i n ASP 178 Cb 0.28 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.59 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 -3.03 3.31 -0.22 1.24 5.36 -1.13 -4.02 117.98 119.50 3m3i s PHE 179 Ca 0.48 -1.93 -0.05 0.00 -0.96 0.00 0.00 56.93 54.47 3m3i s PHE 179 Cb 0.40 -2.25 -0.02 0.00 -0.34 0.00 0.00 43.02 40.81 3m3i s PHE 179 CO 0.08 -0.82 0.00 -2.00 -1.46 0.00 0.00 175.22 171.02 3m3i s GLU 180 N 1.24 3.55 -0.11 10.12 2.12 -0.94 -4.98 118.70 129.69 3m3i s GLU 180 Ca -0.03 -0.54 -0.04 0.00 0.36 0.00 0.00 54.97 54.71 3m3i s GLU 180 Cb -0.20 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 3m3i s GLU 180 CO -0.01 -0.09 0.05 -1.50 -0.54 0.00 0.00 175.26 173.16 3m3i s ILE 181 N 1.27 4.71 0.47 -3.70 1.10 -1.26 -1.12 121.20 122.67 3m3i s ILE 181 Ca 0.04 -0.09 0.07 0.00 -0.51 0.00 0.00 60.65 60.16 3m3i s ILE 181 Cb -0.15 -3.02 -0.00 0.00 0.15 0.00 0.00 42.46 39.44 3m3i s ILE 181 CO 0.01 0.59 0.37 -0.36 -2.11 0.00 0.00 174.94 173.44 3m3i s PHE 182 N -0.74 2.25 0.07 3.50 0.40 -1.14 -5.03 117.98 117.29 3m3i s PHE 182 Ca 0.12 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 3m3i s PHE 182 Cb -0.12 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 3m3i s PHE 182 CO 0.03 -0.24 -0.14 0.95 0.70 0.00 0.00 175.22 176.52 3m3i s THR 183 N -2.61 1.06 0.22 0.64 -4.23 -1.26 -4.10 115.64 105.36 3m3i s THR 183 Ca 0.42 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.57 3m3i s THR 183 Cb -0.02 -1.03 0.17 0.00 1.34 0.00 0.00 72.50 72.96 3m3i s THR 183 CO 0.25 -0.24 1.75 1.56 -0.54 0.00 0.00 174.62 177.39 3m3i h GLN 184 N 4.30 0.44 -0.43 3.99 4.20 -1.14 -1.74 115.11 124.73 3m3i h GLN 184 Ca -0.40 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.20 3m3i h GLN 184 Cb 1.19 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 3m3i h GLN 184 CO 0.40 0.29 -0.06 0.00 -0.67 0.00 0.00 178.83 178.80 3m3i h ALA 185 N 1.46 1.09 0.06 3.87 0.00 -1.97 -0.02 119.26 123.75 3m3i h ALA 185 Ca 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m3i h ALA 185 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3m3i h ALA 185 CO -0.33 0.57 -0.03 0.37 0.00 0.00 0.00 179.25 179.83 3m3i h GLN 186 N 0.68 -0.08 -0.34 0.00 4.15 -1.89 -3.25 115.11 114.38 3m3i h GLN 186 Ca 0.13 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 3m3i h GLN 186 Cb 0.50 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 3m3i h GLN 186 CO 0.03 0.21 -0.17 -0.07 -1.93 0.00 0.00 178.83 176.89 3m3i h LEU 187 N -0.36 0.62 -2.01 -2.39 3.38 -1.03 -2.62 115.31 110.90 3m3i h LEU 187 Ca -0.01 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3m3i h LEU 187 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3m3i h LEU 187 CO 0.01 0.80 0.13 0.24 0.09 0.00 0.00 178.44 179.71 3m3i h MET 188 N 0.56 0.00 -0.09 1.13 2.86 -1.09 0.22 114.93 118.52 3m3i h MET 188 Ca 0.09 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3m3i h MET 188 Cb 0.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3m3i h MET 188 CO 0.04 0.00 -0.36 0.93 1.06 0.00 0.00 176.91 178.59 3m3i h GLU 189 N 0.00 0.18 0.00 1.72 4.39 -1.50 -3.33 114.58 116.05 3m3i h GLU 189 Ca 0.08 -0.07 -0.41 0.00 0.34 0.00 0.00 59.36 59.30 3m3i h GLU 189 Cb 0.34 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 3m3i h GLU 189 CO -0.00 0.52 -2.48 1.28 -1.16 0.00 0.00 179.01 177.17 3m3i n LEU 190 N -4.08 2.62 -3.29 1.33 4.77 -0.72 -4.84 117.00 112.79 3m3i n LEU 190 Ca -0.01 0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 3m3i n LEU 190 Cb 0.43 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 3m3i n LEU 190 CO 0.40 0.81 -0.08 -1.22 -1.33 0.00 0.00 177.39 175.98 3m3i n TYR 191 N -3.59 1.97 0.27 -1.77 4.01 0.69 -4.92 117.16 113.82 3m3i n TYR 191 Ca -0.48 -3.90 0.15 0.00 -0.16 0.00 0.00 57.90 53.51 3m3i n TYR 191 Cb 0.95 -0.47 0.50 0.00 -0.31 0.00 0.00 39.34 40.01 3m3i n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3m3i h PRO 192 N 3.98 0.00 0.00 -0.72 0.13 -1.75 -2.70 132.00 130.95 3m3i h PRO 192 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3m3i h PRO 192 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3m3i h PRO 192 CO 0.68 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.89 3m3i h GLN 193 N 0.00 0.00 -0.63 0.86 -0.00 -1.92 -2.38 115.11 111.04 3m3i h GLN 193 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.65 58.26 3m3i h GLN 193 Cb 0.68 0.00 -0.23 0.00 -0.00 0.00 0.00 27.48 27.93 3m3i h GLN 193 CO 0.00 0.00 0.03 0.72 -0.00 0.00 0.00 178.83 179.58 3m3i n HIS 194 N -2.32 2.06 -0.23 0.06 8.25 -1.02 -4.80 115.22 117.23 3m3i n HIS 194 Ca -0.00 -2.04 0.02 0.00 -0.26 0.00 0.00 57.72 55.44 3m3i n HIS 194 Cb 0.10 -0.70 0.14 0.00 1.12 0.00 0.00 29.99 30.65 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 1.43 0.40 0.11 -0.41 4.81 -1.59 -1.85 114.58 117.48 3m3i h GLU 195 Ca 0.38 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 3m3i h GLU 195 Cb 1.62 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.87 3m3i h GLU 195 CO 0.78 0.26 -0.31 0.00 -0.73 0.00 0.00 179.01 179.01 3m3i h ALA 196 N 1.48 -0.52 -0.13 2.92 0.00 -1.87 0.07 119.26 121.21 3m3i h ALA 196 Ca 0.35 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 3m3i h ALA 196 Cb 0.49 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3m3i h ALA 196 CO -0.36 -0.85 -0.56 -0.39 0.00 0.00 0.00 179.25 177.09 3m3i h VAL 197 N -0.52 1.35 -0.15 0.00 -1.51 -1.90 -2.31 116.25 111.20 3m3i h VAL 197 Ca 0.03 -1.85 -0.00 0.00 -1.23 0.00 0.00 66.70 63.65 3m3i h VAL 197 Cb 0.56 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3m3i h VAL 197 CO -0.19 0.56 0.09 0.40 -1.23 0.00 0.00 177.57 177.20 3m3i h ILE 198 N 0.31 1.08 0.00 7.19 2.04 -1.04 0.63 117.51 127.72 3m3i h ILE 198 Ca 0.00 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3m3i h ILE 198 Cb 1.08 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3m3i h ILE 198 CO 0.10 0.08 -0.32 0.11 0.00 0.00 0.00 178.15 178.11 3m3i h LYS 199 N 0.15 0.00 -0.03 2.37 1.57 -0.95 0.58 116.57 120.27 3m3i h LYS 199 Ca 0.05 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3m3i h LYS 199 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.37 3m3i h LYS 199 CO -0.01 0.32 -0.39 0.37 -0.57 0.00 0.00 179.45 179.17 3m3i h GLN 200 N 0.00 0.32 0.00 3.15 4.15 -1.10 -3.42 115.11 118.21 3m3i h GLN 200 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3m3i h GLN 200 Cb 0.79 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.56 3m3i h GLN 200 CO 0.04 0.98 -1.18 -1.33 -1.93 0.00 0.00 178.83 175.41 3m3i n MET 201 N -4.38 1.35 -3.30 1.69 2.81 0.22 -4.98 117.12 110.53 3m3i n MET 201 Ca -0.09 -0.07 -0.37 0.00 -1.81 0.00 0.00 57.70 55.36 3m3i n MET 201 Cb 0.56 -1.18 -0.06 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.52 3.57 0.39 3.04 0.00 0.19 -1.34 121.76 125.08 3m3i s ALA 202 Ca -0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.64 3m3i s ALA 202 Cb 0.07 -2.59 -0.11 0.00 0.00 0.00 0.00 23.12 20.49 3m3i s ALA 202 CO 0.45 0.42 1.21 0.66 0.00 0.00 0.00 175.76 178.50 3m3i n TYR 203 N 1.12 1.92 1.02 0.00 4.01 -1.26 -4.54 117.16 119.44 3m3i n TYR 203 Ca -0.07 0.54 0.12 0.00 -0.16 0.00 0.00 57.90 58.33 3m3i n TYR 203 Cb 0.51 -2.35 0.12 0.00 -0.31 0.00 0.00 39.34 37.31 3m3i n TYR 203 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55