#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3i s THR 12 N 0.00 1.86 0.25 3.41 -1.32 -1.26 -5.00 115.64 113.59 3m3i s THR 12 Ca 0.00 -2.14 -0.03 0.00 -1.21 0.00 0.00 61.69 58.31 3m3i s THR 12 Cb 0.00 -2.59 0.23 0.00 -1.51 0.00 0.00 72.50 68.63 3m3i s THR 12 CO 0.00 -0.22 1.81 0.00 -2.21 0.00 0.00 174.62 174.00 3m3i h ALA 13 N 2.13 1.24 -0.44 11.08 0.00 -1.86 -2.50 119.26 128.92 3m3i h ALA 13 Ca -0.41 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3m3i h ALA 13 Cb 1.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3m3i h ALA 13 CO 0.70 0.09 -0.06 0.93 0.00 0.00 0.00 179.25 180.90 3m3i h GLU 14 N 0.79 0.81 -0.70 0.00 5.08 -1.98 0.11 114.58 118.70 3m3i h GLU 14 Ca 0.42 -0.29 0.14 0.00 -1.00 0.00 0.00 59.36 58.63 3m3i h GLU 14 Cb 0.43 -0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.49 3m3i h GLU 14 CO -0.27 0.91 -0.20 0.35 -1.00 0.00 0.00 179.01 178.80 3m3i h PHE 15 N 0.65 -0.45 -0.16 4.33 3.04 -1.87 -0.13 116.94 122.35 3m3i h PHE 15 Ca 0.12 0.07 -0.21 0.00 3.98 0.00 0.00 57.97 61.93 3m3i h PHE 15 Cb 0.58 0.31 0.01 0.00 2.56 0.00 0.00 35.95 39.41 3m3i h PHE 15 CO 0.05 -0.32 -0.71 -1.49 -2.02 0.00 0.00 178.31 173.82 3m3i h TRP 16 N -0.02 1.01 -0.53 0.41 4.06 -1.10 -2.52 115.95 117.26 3m3i h TRP 16 Ca 0.33 -0.44 -0.00 0.00 2.06 0.00 0.00 58.89 60.84 3m3i h TRP 16 Cb 0.52 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 3m3i h TRP 16 CO -0.58 1.26 0.32 0.82 -3.56 0.00 0.00 178.44 176.70 3m3i h ILE 17 N 0.47 1.16 -0.63 1.49 2.04 -0.43 -1.04 117.51 120.57 3m3i h ILE 17 Ca -0.04 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3m3i h ILE 17 Cb 1.34 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3m3i h ILE 17 CO 0.15 0.16 0.28 0.11 0.00 0.00 0.00 178.15 178.84 3m3i h LYS 18 N 0.71 0.92 0.07 2.37 1.57 -1.07 0.10 116.57 121.23 3m3i h LYS 18 Ca 0.19 -0.15 -0.31 0.00 -1.87 0.00 0.00 60.65 58.51 3m3i h LYS 18 Cb -0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3m3i h LYS 18 CO -0.04 0.76 -1.70 0.00 -0.57 0.00 0.00 179.45 177.90 3m3i h ARG 19 N 0.87 0.15 -0.23 3.15 3.08 -1.14 -3.14 114.38 117.11 3m3i h ARG 19 Ca 0.21 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3m3i h ARG 19 Cb 0.16 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3m3i h ARG 19 CO -0.02 0.90 0.00 1.28 -1.07 0.00 0.00 179.97 181.05 3m3i n LEU 20 N -3.30 1.95 -3.93 3.04 4.77 -0.42 -4.96 117.00 114.15 3m3i n LEU 20 Ca -0.20 -0.85 -0.26 0.00 -0.03 0.00 0.00 56.01 54.67 3m3i n LEU 20 Cb 1.04 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.98 3m3i n LEU 20 CO 0.46 0.43 -0.12 0.00 -1.33 0.00 0.00 177.39 176.82 3m3i n GLN 21 N 0.52 -3.94 -2.49 3.23 6.02 -0.66 -4.78 117.38 115.28 3m3i n GLN 21 Ca 0.16 0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 57.21 3m3i n GLN 21 Cb 0.36 -4.88 -0.04 0.00 1.02 0.00 0.00 30.24 26.71 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 -6.98 4.48 0.44 1.08 1.43 0.27 -4.74 118.68 114.66 3m3i s LEU 22 Ca 0.19 2.11 0.06 0.00 -1.03 0.00 0.00 54.13 55.46 3m3i s LEU 22 Cb -0.10 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3m3i s LEU 22 CO 0.87 -0.25 0.20 0.68 0.23 0.00 0.00 176.35 178.08 3m3i s VAL 23 N -0.21 2.09 0.42 -1.59 -7.23 -0.14 -4.80 120.40 108.95 3m3i s VAL 23 Ca 0.50 -1.69 -0.26 0.00 -1.81 0.00 0.00 61.98 58.72 3m3i s VAL 23 Cb -0.30 -2.78 -0.09 0.00 0.56 0.00 0.00 36.38 33.77 3m3i s VAL 23 CO 0.35 0.00 1.35 -2.84 -0.31 0.00 0.00 175.10 173.65 3m3i s PRO 24 N -3.97 3.90 -0.16 4.82 0.02 -1.26 -1.21 135.00 137.15 3m3i s PRO 24 Ca 0.37 2.26 -0.06 0.00 0.02 0.00 0.00 61.00 63.58 3m3i s PRO 24 Cb 0.03 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.76 3m3i s PRO 24 CO 0.20 -0.58 0.06 -1.58 -0.33 0.00 0.00 177.00 174.77 3m3i s HIS 25 N -1.23 3.29 0.29 6.54 2.46 -0.96 -4.80 115.29 120.87 3m3i s HIS 25 Ca 0.58 0.17 0.02 0.00 0.47 0.00 0.00 55.06 56.30 3m3i s HIS 25 Cb -0.40 -2.01 0.70 0.00 -0.13 0.00 0.00 32.58 30.75 3m3i s HIS 25 CO 0.52 0.30 1.67 -1.35 -2.47 0.00 0.00 174.74 173.41 3m3i h PRO 26 N 6.16 0.30 0.00 2.88 0.11 -1.95 0.40 132.00 139.89 3m3i h PRO 26 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3m3i h PRO 26 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m3i h PRO 26 CO 0.66 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.80 3m3i n GLU 27 N -5.13 0.61 0.00 1.05 0.28 -1.26 -4.99 120.64 111.20 3m3i n GLU 27 Ca 0.21 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 3m3i n GLU 27 Cb 0.66 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.03 3m3i n GLU 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3m3i n GLY 28 N 0.67 2.14 5.93 -1.84 0.00 0.13 -0.76 105.19 111.46 3m3i n GLY 28 Ca 0.16 -2.10 0.01 0.00 0.00 0.00 0.00 46.02 44.09 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 0.01 -1.86 3.10 -0.02 0.00 -0.80 -4.25 105.19 101.36 3m3i n GLY 29 Ca 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.21 0.84 0.20 1.61 1.51 0.40 -2.28 117.35 119.41 3m3i s TYR 30 Ca 0.00 -0.52 -0.23 0.00 -1.01 0.00 0.00 57.07 55.31 3m3i s TYR 30 Cb 0.00 -0.49 0.05 0.00 -0.11 0.00 0.00 41.96 41.41 3m3i s TYR 30 CO 0.00 -0.05 0.78 1.52 -1.11 0.00 0.00 175.55 176.69 3m3i s TYR 31 N -1.53 -0.25 -0.01 2.71 -0.00 -0.35 0.12 117.35 118.05 3m3i s TYR 31 Ca -0.06 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.07 56.81 3m3i s TYR 31 Cb -0.09 0.65 0.01 0.00 -0.00 0.00 0.00 41.96 42.53 3m3i s TYR 31 CO 0.01 -0.99 0.22 -1.54 -0.00 0.00 0.00 175.55 173.25 3m3i s SER 32 N -2.85 -0.08 0.07 -0.18 1.04 -1.11 -0.97 113.70 109.62 3m3i s SER 32 Ca 0.09 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 3m3i s SER 32 Cb -0.03 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 3m3i s SER 32 CO 0.00 -0.41 1.16 -1.61 0.98 0.00 0.00 173.24 173.37 3m3i s GLU 33 N -1.35 4.46 0.00 4.02 2.02 -1.26 -1.37 118.70 125.22 3m3i s GLU 33 Ca -0.14 1.72 0.00 0.00 0.02 0.00 0.00 54.97 56.57 3m3i s GLU 33 Cb -0.06 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.81 3m3i s GLU 33 CO 0.03 -0.20 0.00 0.28 0.02 0.00 0.00 175.26 175.39 3m3i n VAL 34 N 3.76 0.00 -4.15 2.63 0.31 -0.89 -4.91 118.33 115.07 3m3i n VAL 34 Ca 0.08 0.46 -0.16 0.00 -0.01 0.00 0.00 64.34 64.70 3m3i n VAL 34 Cb 0.47 -1.45 -0.12 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.92 0.87 -0.12 2.52 -7.23 -1.23 -5.02 120.40 109.27 3m3i s VAL 35 Ca 0.00 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 3m3i s VAL 35 Cb 0.00 -0.86 0.02 0.00 0.56 0.00 0.00 36.38 36.11 3m3i s VAL 35 CO 0.00 -0.24 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.32 3m3i s ARG 36 N -1.52 1.80 0.28 4.82 0.52 -1.26 -1.24 118.95 122.34 3m3i s ARG 36 Ca -0.04 -0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 54.53 3m3i s ARG 36 Cb -0.09 -1.77 -0.14 0.00 0.52 0.00 0.00 34.95 33.47 3m3i s ARG 36 CO 0.01 -0.25 0.93 0.45 0.02 0.00 0.00 175.30 176.46 3m3i n SER 37 N 4.87 0.87 0.08 0.23 2.88 -0.48 -4.91 113.62 117.16 3m3i n SER 37 Ca -0.14 1.17 -0.11 0.00 -1.33 0.00 0.00 58.87 58.46 3m3i n SER 37 Cb 0.50 -1.23 -0.04 0.00 -0.75 0.00 0.00 64.21 62.69 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 1.82 0.42 -2.30 -1.46 0.00 -2.00 -3.43 119.26 112.31 3m3i h ALA 38 Ca -0.38 -0.74 -0.56 0.00 0.00 0.00 0.00 54.91 53.23 3m3i h ALA 38 Cb 1.36 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 3m3i h ALA 38 CO 0.60 0.90 0.51 -1.58 0.00 0.00 0.00 179.25 179.69 3m3i s HIS 39 N -3.14 3.53 0.06 0.00 5.65 -1.26 -4.98 115.29 115.14 3m3i s HIS 39 Ca -0.04 1.58 -0.06 0.00 0.25 0.00 0.00 55.06 56.79 3m3i s HIS 39 Cb 0.09 -3.16 -0.05 0.00 -1.18 0.00 0.00 32.58 28.29 3m3i s HIS 39 CO 0.85 -0.19 0.32 0.15 -0.65 0.00 0.00 174.74 175.22 3m3i s LYS 40 N 1.84 3.62 0.24 2.88 1.02 -1.26 -0.83 119.74 127.24 3m3i s LYS 40 Ca 0.48 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 56.43 3m3i s LYS 40 Cb -0.19 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 3m3i s LYS 40 CO 0.19 0.59 0.08 0.14 -0.92 0.00 0.00 175.35 175.42 3m3i s VAL 41 N -1.41 0.58 -0.10 3.17 -7.23 0.96 -4.80 120.40 111.56 3m3i s VAL 41 Ca 0.32 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.26 3m3i s VAL 41 Cb -0.13 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 3m3i s VAL 41 CO 0.19 -0.10 0.72 -1.81 -0.31 0.00 0.00 175.10 173.79 3m3i s ASP 42 N -3.28 6.96 0.83 4.85 1.01 -1.26 -0.38 116.67 125.40 3m3i s ASP 42 Ca 0.35 1.16 -0.01 0.00 0.71 0.00 0.00 52.55 54.76 3m3i s ASP 42 Cb 0.07 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.60 3m3i s ASP 42 CO 0.12 -0.18 0.08 -0.46 0.21 0.00 0.00 175.17 174.93 3m3i n ASN 43 N 4.16 0.03 0.28 0.27 6.94 0.28 -4.87 115.26 122.35 3m3i n ASN 43 Ca -0.00 -1.04 0.15 0.00 -0.02 0.00 0.00 54.58 53.67 3m3i n ASN 43 Cb 0.51 -0.06 0.84 0.00 -2.36 0.00 0.00 39.78 38.71 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 -0.50 -3.83 3.07 -1.88 -2.36 114.58 109.08 3m3i h GLU 44 Ca -0.03 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 3m3i h GLU 44 Cb 0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.91 3m3i h GLU 44 CO 0.02 0.07 0.11 0.39 -1.40 0.00 0.00 179.01 178.20 3m3i n GLU 45 N -3.55 3.10 -0.41 2.33 1.02 -1.26 -4.95 120.64 116.92 3m3i n GLU 45 Ca -0.02 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.09 3m3i n GLU 45 Cb 0.19 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 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 -0.46 2.14 3.81 0.62 0.00 -0.89 -5.01 105.19 105.40 3m3i n GLY 46 Ca 0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.57 7.07 0.06 1.61 0.01 -1.26 -4.68 114.94 114.18 3m3i s ASN 47 Ca 0.00 1.38 -0.31 0.00 -0.71 0.00 0.00 52.86 53.22 3m3i s ASN 47 Cb 0.00 -2.40 -0.07 0.00 0.41 0.00 0.00 41.25 39.19 3m3i s ASN 47 CO 0.00 0.10 1.39 -0.13 -1.51 0.00 0.00 177.10 176.95 3m3i s ARG 48 N -1.72 4.31 0.05 -0.60 1.81 -1.26 -0.55 118.95 120.98 3m3i s ARG 48 Ca 0.39 2.01 -0.02 0.00 -1.72 0.00 0.00 55.73 56.39 3m3i s ARG 48 Cb -0.18 -3.42 -0.03 0.00 -0.45 0.00 0.00 34.95 30.87 3m3i s ARG 48 CO 0.21 -0.50 0.02 1.03 -0.68 0.00 0.00 175.30 175.38 3m3i s ARG 49 N 1.76 0.59 0.33 3.54 1.81 0.49 -4.92 118.95 122.56 3m3i s ARG 49 Ca 0.64 -1.03 -0.29 0.00 -1.72 0.00 0.00 55.73 53.33 3m3i s ARG 49 Cb -0.34 0.22 -0.11 0.00 -0.45 0.00 0.00 34.95 34.26 3m3i s ARG 49 CO 0.29 -0.13 1.55 -1.01 -0.68 0.00 0.00 175.30 175.32 3m3i s HIS 50 N -3.37 2.66 0.30 -0.53 3.76 -1.26 -0.03 115.29 116.82 3m3i s HIS 50 Ca 0.02 0.95 0.03 0.00 -0.15 0.00 0.00 55.06 55.91 3m3i s HIS 50 Cb 0.04 -4.06 0.76 0.00 1.11 0.00 0.00 32.58 30.43 3m3i s HIS 50 CO -0.08 -3.35 1.62 0.00 -0.85 0.00 0.00 174.74 172.08 3m3i h ALA 51 N 3.97 1.29 -2.50 -1.40 0.00 -1.24 1.21 119.26 120.58 3m3i h ALA 51 Ca -0.49 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3m3i h ALA 51 Cb 1.23 0.40 -0.17 0.00 0.00 0.00 0.00 17.79 19.24 3m3i h ALA 51 CO 0.72 -0.53 -0.16 1.52 0.00 0.00 0.00 179.25 180.80 3m3i s TYR 52 N -5.93 -0.23 -0.04 0.00 -0.85 -1.26 -3.68 117.35 105.36 3m3i s TYR 52 Ca -0.12 0.22 0.04 0.00 -0.52 0.00 0.00 57.07 56.69 3m3i s TYR 52 Cb 0.27 0.17 -0.00 0.00 0.38 0.00 0.00 41.96 42.78 3m3i s TYR 52 CO 0.77 -0.52 -0.15 0.95 -1.52 0.00 0.00 175.55 175.09 3m3i s THR 53 N -2.19 1.23 0.12 -3.49 -4.23 -0.55 -1.38 115.64 105.14 3m3i s THR 53 Ca -0.07 -0.60 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 3m3i s THR 53 Cb -0.02 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 3m3i s THR 53 CO -0.01 0.36 -0.11 0.42 -0.54 0.00 0.00 174.62 174.74 3m3i s THR 54 N 0.11 3.23 0.21 3.99 -4.23 -0.37 -1.08 115.64 117.51 3m3i s THR 54 Ca -0.04 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 3m3i s THR 54 Cb -0.11 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 3m3i s THR 54 CO 0.02 0.06 0.03 0.27 -0.54 0.00 0.00 174.62 174.46 3m3i s ILE 55 N -1.30 0.73 0.19 2.99 -4.36 -0.14 -2.09 121.20 117.22 3m3i s ILE 55 Ca 0.21 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.49 3m3i s ILE 55 Cb -0.10 -2.34 -0.07 0.00 1.25 0.00 0.00 42.46 41.19 3m3i s ILE 55 CO 0.13 -0.29 0.54 -0.31 0.24 0.00 0.00 174.94 175.26 3m3i s TYR 56 N -3.63 3.50 -0.03 1.37 2.02 -0.47 -2.40 117.35 117.72 3m3i s TYR 56 Ca 0.29 0.93 -0.01 0.00 -0.37 0.00 0.00 57.07 57.92 3m3i s TYR 56 Cb 0.07 -2.29 0.03 0.00 -0.40 0.00 0.00 41.96 39.36 3m3i s TYR 56 CO 0.08 0.34 0.05 0.12 -1.57 0.00 0.00 175.55 174.57 3m3i s PHE 57 N -1.67 -0.01 -0.09 2.71 5.36 -0.77 -2.74 117.98 120.77 3m3i s PHE 57 Ca 0.43 0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.61 3m3i s PHE 57 Cb -0.13 -0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.38 3m3i s PHE 57 CO 0.20 -0.10 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.56 3m3i s LEU 58 N 0.98 1.68 -0.02 6.12 0.20 0.12 -1.67 118.68 126.09 3m3i s LEU 58 Ca -0.08 -0.38 0.07 0.00 0.69 0.00 0.00 54.13 54.43 3m3i s LEU 58 Cb -0.11 -1.00 -0.02 0.00 -0.43 0.00 0.00 46.19 44.62 3m3i s LEU 58 CO -0.03 0.02 -0.23 0.00 -0.29 0.00 0.00 176.35 175.81 3m3i s THR 60 N -0.65 1.53 0.54 0.00 -4.23 -1.25 -1.10 115.64 110.47 3m3i s THR 60 Ca 0.10 -2.16 0.21 0.00 -1.18 0.00 0.00 61.69 58.67 3m3i s THR 60 Cb -0.10 -1.99 0.31 0.00 1.34 0.00 0.00 72.50 72.06 3m3i s THR 60 CO -0.00 -0.63 2.13 -0.65 -0.54 0.00 0.00 174.62 174.93 3m3i h PRO 61 N 2.62 0.00 -0.01 3.99 0.11 -1.78 -0.20 132.00 136.74 3m3i h PRO 61 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3m3i h PRO 61 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3m3i h PRO 61 CO 0.63 0.00 -0.20 0.39 -0.21 0.00 0.00 178.00 178.61 3m3i n GLU 62 N -4.35 0.93 -3.17 1.05 1.02 -1.26 -4.49 120.64 110.37 3m3i n GLU 62 Ca -0.00 -0.51 -0.20 0.00 -0.02 0.00 0.00 57.16 56.42 3m3i n GLU 62 Cb 0.20 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.59 0.38 -4.79 1.62 2.88 -0.09 -5.00 113.62 108.03 3m3i n SER 63 Ca 0.14 -2.91 -0.33 0.00 -1.33 0.00 0.00 58.87 54.44 3m3i n SER 63 Cb 0.34 -0.49 0.03 0.00 -0.75 0.00 0.00 64.21 63.34 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 -1.78 3.06 -0.28 -1.46 0.04 -1.19 -1.90 135.00 131.49 3m3i s PRO 64 Ca 0.37 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 3m3i s PRO 64 Cb 0.27 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 3m3i s PRO 64 CO -0.09 -1.03 0.61 0.45 0.04 0.00 0.00 177.00 176.98 3m3i s SER 65 N -2.73 6.52 0.47 6.66 0.15 0.12 -4.08 113.70 120.80 3m3i s SER 65 Ca 0.65 0.54 -0.20 0.00 0.70 0.00 0.00 55.95 57.64 3m3i s SER 65 Cb -0.18 -2.33 -0.09 0.00 -1.71 0.00 0.00 66.02 61.71 3m3i s SER 65 CO 0.40 -0.41 0.99 -1.00 1.20 0.00 0.00 173.24 174.41 3m3i s HIS 66 N 2.53 3.22 0.16 3.44 3.76 0.06 -1.25 115.29 127.20 3m3i s HIS 66 Ca 0.25 1.57 -0.34 0.00 -0.15 0.00 0.00 55.06 56.40 3m3i s HIS 66 Cb -0.15 -2.92 -0.15 0.00 1.11 0.00 0.00 32.58 30.47 3m3i s HIS 66 CO 0.10 -0.42 1.28 1.28 -0.85 0.00 0.00 174.74 176.12 3m3i n LEU 67 N -0.95 1.91 -3.79 0.89 4.77 -0.95 -4.67 117.00 114.21 3m3i n LEU 67 Ca 0.08 1.13 -0.09 0.00 -0.03 0.00 0.00 56.01 57.10 3m3i n LEU 67 Cb 0.53 -1.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 3m3i n LEU 67 CO 0.40 -1.04 0.26 -1.38 -1.33 0.00 0.00 177.39 174.30 3m3i s HIS 68 N 0.08 -0.04 0.15 -1.77 -3.43 -0.36 -3.33 115.29 106.59 3m3i s HIS 68 Ca 0.76 -0.31 0.07 0.00 -0.80 0.00 0.00 55.06 54.77 3m3i s HIS 68 Cb -0.83 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 30.64 3m3i s HIS 68 CO 0.49 -0.94 -0.15 0.50 -2.00 0.00 0.00 174.74 172.65 3m3i s ARG 69 N -3.90 1.16 0.38 -0.38 3.52 -0.30 -1.29 118.95 118.14 3m3i s ARG 69 Ca 0.11 -1.38 0.05 0.00 -0.13 0.00 0.00 55.73 54.38 3m3i s ARG 69 Cb -0.01 -1.03 -0.02 0.00 -1.56 0.00 0.00 34.95 32.33 3m3i s ARG 69 CO -0.01 0.19 0.20 -0.51 -0.81 0.00 0.00 175.30 174.36 3m3i s LEU 70 N -2.78 1.88 0.00 -0.88 1.43 -1.26 -2.47 118.68 114.60 3m3i s LEU 70 Ca 0.15 -1.72 0.11 0.00 -1.03 0.00 0.00 54.13 51.63 3m3i s LEU 70 Cb -0.03 0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.38 3m3i s LEU 70 CO 0.04 -1.00 0.66 0.00 0.23 0.00 0.00 176.35 176.29 3m3i s SER 72 N -1.39 2.93 0.33 0.00 0.01 -1.26 -4.63 113.70 109.69 3m3i s SER 72 Ca 0.09 -0.97 -0.28 0.00 1.31 0.00 0.00 55.95 56.09 3m3i s SER 72 Cb 0.09 -0.19 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 3m3i s SER 72 CO 0.26 -0.06 1.25 -1.81 0.41 0.00 0.00 173.24 173.29 3m3i s ASP 73 N -3.16 6.82 -0.15 2.44 -0.00 -1.23 -3.98 116.67 117.40 3m3i s ASP 73 Ca 0.23 2.56 0.01 0.00 -0.00 0.00 0.00 52.55 55.34 3m3i s ASP 73 Cb -0.04 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 3m3i s ASP 73 CO 0.09 -0.48 -0.17 -0.70 -0.00 0.00 0.00 175.17 173.90 3m3i s GLU 74 N -1.80 3.15 -0.16 8.23 2.12 -0.86 -1.65 118.70 127.73 3m3i s GLU 74 Ca 0.49 -0.78 -0.06 0.00 0.36 0.00 0.00 54.97 54.98 3m3i s GLU 74 Cb -0.37 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 3m3i s GLU 74 CO 0.49 -0.01 0.02 0.99 -0.54 0.00 0.00 175.26 176.21 3m3i s THR 75 N 0.86 4.45 -0.16 -1.70 2.01 -0.05 -0.13 115.64 120.93 3m3i s THR 75 Ca -0.05 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 3m3i s THR 75 Cb -0.15 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 3m3i s THR 75 CO -0.02 0.49 -0.03 0.26 -0.69 0.00 0.00 174.62 174.63 3m3i s TRP 76 N 0.19 3.02 -0.15 4.92 0.52 0.17 -0.72 118.94 126.88 3m3i s TRP 76 Ca 0.02 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.82 3m3i s TRP 76 Cb -0.13 -1.97 0.01 0.00 -1.15 0.00 0.00 33.47 30.23 3m3i s TRP 76 CO 0.01 -0.08 -0.21 -1.64 0.02 0.00 0.00 176.95 175.06 3m3i s MET 77 N 0.47 3.04 0.21 4.98 -1.94 0.20 -1.63 119.30 124.63 3m3i s MET 77 Ca -0.03 -0.83 -0.30 0.00 -1.71 0.00 0.00 55.69 52.81 3m3i s MET 77 Cb -0.14 -2.50 -0.09 0.00 2.01 0.00 0.00 34.83 34.11 3m3i s MET 77 CO 0.03 -0.06 1.38 -0.47 -0.01 0.00 0.00 175.02 175.89 3m3i s TYR 78 N 0.93 3.15 0.06 -0.03 6.14 -0.33 -0.62 117.35 126.65 3m3i s TYR 78 Ca -0.04 1.09 -0.00 0.00 0.64 0.00 0.00 57.07 58.76 3m3i s TYR 78 Cb -0.15 -3.71 -0.00 0.00 0.42 0.00 0.00 41.96 38.52 3m3i s TYR 78 CO -0.04 -2.31 -0.00 0.72 0.64 0.00 0.00 175.55 174.56 3m3i n HIS 79 N 2.68 0.00 -3.55 4.97 8.25 -0.17 -4.89 115.22 122.50 3m3i n HIS 79 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.42 3m3i n HIS 79 Cb 0.41 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.19 0.00 -1.41 0.00 -0.76 -5.02 121.76 111.38 3m3i s ALA 80 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3m3i s ALA 80 Cb 0.00 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3m3i s ALA 80 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3m3i n GLY 81 N -0.29 -0.82 3.68 0.00 0.00 -1.26 -0.62 105.19 105.88 3m3i n GLY 81 Ca -0.16 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 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 2.83 0.64 1.61 1.01 0.02 -4.93 116.67 113.86 3m3i s ASP 82 Ca 0.00 1.36 -0.16 0.00 0.71 0.00 0.00 52.55 54.46 3m3i s ASP 82 Cb 0.00 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 3m3i s ASP 82 CO 0.00 -3.02 1.14 -2.16 0.21 0.00 0.00 175.17 171.34 3m3i s PRO 83 N -4.90 2.79 -0.27 8.23 0.04 -1.26 -4.47 135.00 135.15 3m3i s PRO 83 Ca 0.65 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 3m3i s PRO 83 Cb -0.19 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3m3i s PRO 83 CO 0.58 -1.28 0.27 -1.17 0.04 0.00 0.00 177.00 175.43 3m3i s LEU 84 N -4.64 4.03 -0.37 -3.56 2.96 -0.57 -4.73 118.68 111.80 3m3i s LEU 84 Ca 0.70 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.45 3m3i s LEU 84 Cb -0.24 -2.25 0.01 0.00 0.50 0.00 0.00 46.19 44.22 3m3i s LEU 84 CO 0.39 -0.10 1.23 -1.10 -1.32 0.00 0.00 176.35 175.45 3m3i s GLN 85 N 1.86 3.84 -0.23 1.98 -0.21 0.77 -0.66 119.66 127.01 3m3i s GLN 85 Ca 0.10 0.98 -0.18 0.00 0.02 0.00 0.00 55.36 56.29 3m3i s GLN 85 Cb -0.16 -3.88 -0.03 0.00 1.00 0.00 0.00 33.01 29.94 3m3i s GLN 85 CO 0.10 -1.22 0.50 -0.51 -2.12 0.00 0.00 175.29 172.04 3m3i s LEU 86 N 4.44 4.10 -0.44 2.90 1.43 0.13 -0.92 118.68 130.32 3m3i s LEU 86 Ca 0.53 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 54.05 3m3i s LEU 86 Cb -0.13 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.48 3m3i s LEU 86 CO 0.25 -0.22 0.36 -1.00 0.23 0.00 0.00 176.35 175.97 3m3i s HIS 87 N 1.91 3.23 -0.20 0.29 3.76 -0.48 -1.13 115.29 122.68 3m3i s HIS 87 Ca 0.22 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 3m3i s HIS 87 Cb -0.15 -2.87 0.03 0.00 1.11 0.00 0.00 32.58 30.69 3m3i s HIS 87 CO 0.09 -0.69 -0.17 0.08 -0.85 0.00 0.00 174.74 173.20 3m3i s VAL 88 N 1.72 2.21 -0.44 -0.90 1.01 -0.35 -2.16 120.40 121.48 3m3i s VAL 88 Ca 0.05 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 3m3i s VAL 88 Cb -0.21 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.22 3m3i s VAL 88 CO 0.09 0.42 0.32 -0.63 0.00 0.00 0.00 175.10 175.30 3m3i s ILE 89 N 1.27 4.91 0.10 2.22 1.01 0.86 -0.39 121.20 131.18 3m3i s ILE 89 Ca 0.03 -1.06 -0.27 0.00 0.00 0.00 0.00 60.65 59.34 3m3i s ILE 89 Cb -0.14 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 3m3i s ILE 89 CO -0.11 -0.48 0.86 -0.76 0.00 0.00 0.00 174.94 174.46 3m3i s LEU 90 N 1.58 4.50 0.06 2.97 1.43 -0.67 -1.06 118.68 127.49 3m3i s LEU 90 Ca 0.04 1.65 -0.37 0.00 -1.03 0.00 0.00 54.13 54.42 3m3i s LEU 90 Cb -0.23 -3.42 -0.20 0.00 0.03 0.00 0.00 46.19 42.38 3m3i s LEU 90 CO 0.06 0.01 1.55 0.50 0.23 0.00 0.00 176.35 178.71 3m3i h LYS 91 N 5.38 -1.22 -5.24 1.70 3.64 -1.90 -3.04 116.57 115.90 3m3i h LYS 91 Ca -0.44 0.08 -0.55 0.00 -1.27 0.00 0.00 60.65 58.48 3m3i h LYS 91 Cb 1.21 0.28 -0.13 0.00 -0.41 0.00 0.00 32.23 33.17 3m3i h LYS 91 CO 0.71 -0.81 -0.57 -0.51 -2.27 0.00 0.00 179.45 176.00 3m3i s ASP 92 N -4.02 2.97 -1.01 4.20 1.01 -1.26 -0.48 116.67 118.08 3m3i s ASP 92 Ca -0.19 -1.50 -0.26 0.00 0.71 0.00 0.00 52.55 51.32 3m3i s ASP 92 Cb 0.02 0.11 -0.22 0.00 1.01 0.00 0.00 42.92 43.85 3m3i s ASP 92 CO 0.59 -0.70 2.10 -2.65 0.21 0.00 0.00 175.17 174.71 3m3i n PRO 93 N -0.87 0.13 -0.80 8.23 -0.02 -1.26 -4.64 135.00 135.76 3m3i n PRO 93 Ca -0.06 -1.54 -0.01 0.00 -2.02 0.00 0.00 63.50 59.87 3m3i n PRO 93 Cb 0.66 -3.79 0.27 0.00 -0.02 0.00 0.00 33.50 30.63 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 8.03 3.09 0.03 -0.52 6.02 -1.26 -4.29 117.38 128.49 3m3i n GLN 94 Ca 0.40 -3.04 -0.06 0.00 -0.01 0.00 0.00 57.00 54.30 3m3i n GLN 94 Cb 0.47 -2.02 -0.11 0.00 1.02 0.00 0.00 30.24 29.60 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 2.05 0.00 0.59 1.08 5.19 -1.97 -3.38 116.42 119.99 3m3i h ASP 95 Ca 0.18 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.46 3m3i h ASP 95 Cb 1.93 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.42 3m3i h ASP 95 CO 0.51 0.88 -0.62 -0.33 -3.12 0.00 0.00 179.24 176.56 3m3i h GLU 96 N 0.00 0.02 -0.00 3.56 4.39 -1.98 -3.13 114.58 117.44 3m3i h GLU 96 Ca -0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3m3i h GLU 96 Cb 1.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 3m3i h GLU 96 CO 0.09 0.63 -0.12 -0.25 -1.16 0.00 0.00 179.01 178.20 3m3i n ASP 97 N -3.81 0.37 0.00 1.42 9.92 -1.26 -5.28 116.55 117.91 3m3i n ASP 97 Ca -0.01 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.88 3m3i n ASP 97 Cb 0.62 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 3m3i n ASP 97 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 3m3i n ARG 98 N -1.11 2.55 0.00 -1.24 -4.01 -1.19 -5.18 116.66 106.48 3m3i n ARG 98 Ca 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.94 3m3i n ARG 98 Cb 0.29 -0.84 0.00 0.00 -3.04 0.00 0.00 32.46 28.86 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 -1.42 0.00 -1.79 2.89 3.00 -1.26 -5.11 116.66 112.98 3m3i n ARG 117 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 3m3i n ARG 117 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.73 3m3i n ARG 117 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3m3i s PRO 118 N 0.00 3.94 -0.06 -0.14 0.02 -1.26 -4.99 135.00 132.51 3m3i s PRO 118 Ca 0.00 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 3m3i s PRO 118 Cb 0.00 -2.85 -0.04 0.00 0.02 0.00 0.00 34.50 31.64 3m3i s PRO 118 CO 0.00 -0.66 0.04 0.15 -0.33 0.00 0.00 177.00 176.21 3m3i s LYS 119 N -2.24 3.05 -0.48 5.54 -0.14 -1.26 -4.50 119.74 119.71 3m3i s LYS 119 Ca 0.56 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 3m3i s LYS 119 Cb -0.46 -2.86 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 3m3i s LYS 119 CO 0.61 0.69 0.00 0.66 -0.76 0.00 0.00 175.35 176.55 3m3i n TYR 120 N 1.80 -0.27 0.22 3.18 4.01 0.37 -4.96 117.16 121.51 3m3i n TYR 120 Ca -0.17 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.68 3m3i n TYR 120 Cb 0.53 -1.80 0.23 0.00 -0.31 0.00 0.00 39.34 37.99 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 0.00 0.00 -4.83 -0.72 4.20 -1.79 -3.45 115.11 108.52 3m3i h GLN 121 Ca -0.13 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.90 3m3i h GLN 121 Cb 1.09 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.61 3m3i h GLN 121 CO 0.16 0.08 -0.64 0.08 -0.67 0.00 0.00 178.83 177.84 3m3i s VAL 122 N -3.25 3.85 -0.19 -0.54 1.01 -1.26 -5.05 120.40 114.96 3m3i s VAL 122 Ca 0.06 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 3m3i s VAL 122 Cb 0.06 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3m3i s VAL 122 CO 0.66 0.11 0.12 -0.47 0.00 0.00 0.00 175.10 175.53 3m3i s TYR 123 N 1.49 3.40 -0.04 5.22 5.04 -1.26 -1.68 117.35 129.51 3m3i s TYR 123 Ca 0.03 0.31 0.04 0.00 -2.44 0.00 0.00 57.07 55.00 3m3i s TYR 123 Cb -0.17 -2.14 -0.00 0.00 0.35 0.00 0.00 41.96 40.00 3m3i s TYR 123 CO 0.02 0.30 -0.17 1.03 -1.34 0.00 0.00 175.55 175.38 3m3i s ARG 124 N 0.28 1.77 -0.26 4.97 0.52 0.48 -5.01 118.95 121.70 3m3i s ARG 124 Ca 0.08 -0.60 -0.08 0.00 -0.52 0.00 0.00 55.73 54.60 3m3i s ARG 124 Cb -0.11 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.78 3m3i s ARG 124 CO -0.01 0.24 0.11 0.50 0.02 0.00 0.00 175.30 176.15 3m3i s ARG 125 N 0.04 3.75 -0.13 3.54 3.52 -1.26 -1.22 118.95 127.19 3m3i s ARG 125 Ca -0.04 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3m3i s ARG 125 Cb -0.11 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 3m3i s ARG 125 CO 0.02 -0.19 -0.14 0.08 -0.81 0.00 0.00 175.30 174.27 3m3i s VAL 126 N 1.66 1.46 -0.16 7.11 1.01 -0.28 -4.98 120.40 126.23 3m3i s VAL 126 Ca 0.07 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 3m3i s VAL 126 Cb -0.15 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3m3i s VAL 126 CO 0.06 0.44 0.72 -0.76 0.00 0.00 0.00 175.10 175.56 3m3i s LEU 127 N 1.34 4.19 -0.50 3.92 1.43 -1.26 0.18 118.68 127.98 3m3i s LEU 127 Ca 0.01 1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.98 3m3i s LEU 127 Cb -0.13 -3.06 0.08 0.00 0.03 0.00 0.00 46.19 43.11 3m3i s LEU 127 CO -0.07 -0.29 0.47 -0.69 0.23 0.00 0.00 176.35 176.00 3m3i s VAL 128 N 1.78 5.14 0.17 -1.59 1.01 0.17 -1.82 120.40 125.27 3m3i s VAL 128 Ca 0.34 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3m3i s VAL 128 Cb -0.16 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.04 3m3i s VAL 128 CO 0.13 -0.70 0.56 0.61 0.00 0.00 0.00 175.10 175.70 3m3i n GLY 129 N 5.21 1.10 0.08 4.51 0.00 -0.94 -1.51 105.19 113.64 3m3i n GLY 129 Ca -0.12 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.58 3.16 -2.33 4.61 0.00 -1.26 -2.76 120.51 120.36 3m3i n ALA 130 Ca -0.09 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 3m3i n ALA 130 Cb 0.36 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.21 3.46 0.33 0.00 1.74 -1.26 -4.79 116.66 114.93 3m3i n ARG 131 Ca 0.09 -3.42 0.22 0.00 -0.77 0.00 0.00 57.85 53.97 3m3i n ARG 131 Cb 0.33 -3.01 1.18 0.00 -1.02 0.00 0.00 32.46 29.93 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 3.95 0.09 -0.02 1.55 -1.51 -1.81 -1.48 116.25 117.02 3m3i h VAL 132 Ca 0.41 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.72 3m3i h VAL 132 Cb 0.67 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 3m3i h VAL 132 CO 1.61 0.00 -0.72 1.05 -1.23 0.00 0.00 177.57 178.28 3m3i h GLU 133 N 0.00 0.14 -0.00 5.19 9.09 -1.86 -3.21 114.58 123.92 3m3i h GLU 133 Ca 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.29 3m3i h GLU 133 Cb 0.00 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 3m3i h GLU 133 CO -0.00 0.80 -0.16 0.54 0.05 0.00 0.00 179.01 180.24 3m3i n ARG 134 N -3.75 0.51 0.00 1.06 1.74 -0.60 -4.91 116.66 110.72 3m3i n ARG 134 Ca -0.02 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 3m3i n ARG 134 Cb 0.70 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 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 1.35 0.72 3.78 -0.13 0.00 -1.19 -5.10 105.19 104.62 3m3i n GLY 135 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.53 3.18 -0.11 1.61 2.02 -0.96 -4.77 118.70 119.15 3m3i s GLU 136 Ca 0.00 1.47 0.02 0.00 0.02 0.00 0.00 54.97 56.48 3m3i s GLU 136 Cb 0.00 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.25 3m3i s GLU 136 CO 0.00 -0.96 -0.16 -0.51 0.02 0.00 0.00 175.26 173.65 3m3i s LEU 137 N -4.24 1.75 0.46 1.80 1.43 -0.76 -3.75 118.68 115.37 3m3i s LEU 137 Ca 0.69 -0.43 0.11 0.00 -1.03 0.00 0.00 54.13 53.47 3m3i s LEU 137 Cb -0.21 -1.10 1.03 0.00 0.03 0.00 0.00 46.19 45.93 3m3i s LEU 137 CO 0.33 0.03 2.09 -0.07 0.23 0.00 0.00 176.35 178.96 3m3i h LEU 138 N 7.34 0.26 -7.89 1.79 3.38 -1.84 -2.50 115.31 115.84 3m3i h LEU 138 Ca -0.30 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.36 3m3i h LEU 138 Cb 1.18 -0.06 -0.28 0.00 0.09 0.00 0.00 40.66 41.59 3m3i h LEU 138 CO 0.49 0.20 -0.75 -1.58 0.09 0.00 0.00 178.44 176.89 3m3i s GLN 139 N -5.27 0.35 -0.27 1.13 0.74 -1.26 -1.19 119.66 113.88 3m3i s GLN 139 Ca -0.07 -0.19 -0.23 0.00 0.05 0.00 0.00 55.36 54.92 3m3i s GLN 139 Cb 0.17 -0.32 0.08 0.00 1.10 0.00 0.00 33.01 34.04 3m3i s GLN 139 CO 0.71 0.09 0.76 -0.47 -0.55 0.00 0.00 175.29 175.82 3m3i s TYR 140 N -0.19 -0.81 -0.19 1.67 5.04 -0.64 -4.99 117.35 117.24 3m3i s TYR 140 Ca 0.01 1.86 -0.06 0.00 -2.44 0.00 0.00 57.07 56.45 3m3i s TYR 140 Cb -0.02 0.36 -0.03 0.00 0.35 0.00 0.00 41.96 42.61 3m3i s TYR 140 CO -0.00 -0.39 0.01 0.99 -1.34 0.00 0.00 175.55 174.82 3m3i s THR 141 N 0.65 4.20 -0.39 4.34 2.01 -1.26 -0.66 115.64 124.53 3m3i s THR 141 Ca -0.02 -0.23 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 3m3i s THR 141 Cb -0.05 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.59 3m3i s THR 141 CO -0.04 0.45 0.80 -0.69 -0.69 0.00 0.00 174.62 174.44 3m3i s VAL 142 N 0.71 4.69 0.13 3.82 1.01 0.82 -4.94 120.40 126.63 3m3i s VAL 142 Ca 0.01 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3m3i s VAL 142 Cb -0.14 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 3m3i s VAL 142 CO 0.02 -0.54 1.25 -2.84 0.00 0.00 0.00 175.10 172.98 3m3i s PRO 143 N 3.21 4.43 0.21 2.72 0.02 -1.26 -2.02 135.00 142.32 3m3i s PRO 143 Ca 0.32 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 3m3i s PRO 143 Cb -0.13 -3.27 -0.16 0.00 0.02 0.00 0.00 34.50 30.96 3m3i s PRO 143 CO 0.19 -0.23 0.86 0.41 -0.33 0.00 0.00 177.00 177.90 3m3i n GLY 144 N 2.82 -0.76 0.00 0.52 0.00 -1.26 -2.18 105.19 104.34 3m3i n GLY 144 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 1.69 2.29 3.77 -0.02 0.00 -0.88 -4.91 105.19 107.12 3m3i n GLY 145 Ca 0.14 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.15 3.15 -0.17 4.61 0.00 -0.93 -4.60 121.76 121.68 3m3i s ALA 146 Ca 0.00 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 3m3i s ALA 146 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3m3i s ALA 146 CO 0.00 -0.66 0.50 0.42 0.00 0.00 0.00 175.76 176.02 3m3i s ILE 147 N -1.38 5.14 0.10 0.00 1.01 -0.22 -4.24 121.20 121.62 3m3i s ILE 147 Ca 0.58 0.94 -0.19 0.00 0.00 0.00 0.00 60.65 61.99 3m3i s ILE 147 Cb -0.33 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.36 3m3i s ILE 147 CO 0.41 0.24 0.45 0.72 0.00 0.00 0.00 174.94 176.77 3m3i s PHE 148 N 1.21 -0.30 0.35 3.97 -0.71 -0.41 -0.10 117.98 121.99 3m3i s PHE 148 Ca 0.25 0.12 -0.03 0.00 -1.04 0.00 0.00 56.93 56.22 3m3i s PHE 148 Cb -0.15 0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.98 3m3i s PHE 148 CO 0.10 -0.69 0.51 0.20 -1.34 0.00 0.00 175.22 174.00 3m3i s GLY 149 N -2.50 1.42 0.04 1.99 0.00 -0.92 -1.22 107.32 106.13 3m3i s GLY 149 Ca -0.00 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.26 3m3i s GLY 149 CO -0.09 -0.94 -0.06 -1.35 0.00 0.00 0.00 173.10 170.66 3m3i s SER 150 N -3.23 0.68 0.14 1.64 1.04 -0.38 -1.39 113.70 112.20 3m3i s SER 150 Ca 0.29 -0.58 -0.13 0.00 0.48 0.00 0.00 55.95 56.01 3m3i s SER 150 Cb -0.01 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.19 3m3i s SER 150 CO 0.20 -0.26 0.36 -0.94 0.98 0.00 0.00 173.24 173.58 3m3i s SER 151 N -1.68 -0.11 -0.03 7.02 1.04 -0.10 -0.70 113.70 119.13 3m3i s SER 151 Ca -0.10 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 55.86 3m3i s SER 151 Cb -0.08 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3m3i s SER 151 CO -0.01 -0.88 -0.24 -0.69 0.98 0.00 0.00 173.24 172.40 3m3i s VAL 152 N -3.87 1.89 0.48 5.02 1.01 -1.26 -0.16 120.40 123.50 3m3i s VAL 152 Ca 0.08 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 3m3i s VAL 152 Cb 0.02 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 3m3i s VAL 152 CO -0.07 0.53 1.31 0.00 0.00 0.00 0.00 175.10 176.87 3m3i s ALA 153 N -0.37 3.03 -0.02 5.51 0.00 -1.26 -4.33 121.76 124.31 3m3i s ALA 153 Ca 0.04 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.32 3m3i s ALA 153 Cb -0.11 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.28 3m3i s ALA 153 CO 0.01 -1.03 0.74 0.00 0.00 0.00 0.00 175.76 175.47 3m3i h ALA 154 N 2.03 0.67 -1.31 0.00 0.00 -1.90 -3.40 119.26 115.35 3m3i h ALA 154 Ca -0.50 -1.37 -0.59 0.00 0.00 0.00 0.00 54.91 52.45 3m3i h ALA 154 Cb 1.27 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 19.33 3m3i h ALA 154 CO 0.60 1.51 -0.52 0.16 0.00 0.00 0.00 179.25 181.00 3m3i s ASP 155 N -6.28 3.16 0.48 0.00 3.84 -1.26 -4.85 116.67 111.76 3m3i s ASP 155 Ca -0.05 -1.66 0.00 0.00 -0.00 0.00 0.00 52.55 50.84 3m3i s ASP 155 Cb 0.08 0.48 0.00 0.00 -1.38 0.00 0.00 42.92 42.10 3m3i s ASP 155 CO 0.82 -0.90 0.00 0.61 -0.00 0.00 0.00 175.17 175.71 3m3i n GLY 156 N -1.00 -0.89 0.15 2.12 0.00 -1.26 -3.24 105.19 101.07 3m3i n GLY 156 Ca -0.09 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.79 3m3i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i h ALA 157 N -0.48 0.90 -0.36 4.61 0.00 -2.01 -2.36 119.26 119.56 3m3i h ALA 157 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3m3i h ALA 157 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m3i h ALA 157 CO 0.00 0.69 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 3m3i n ASP 158 N -3.61 2.27 -3.09 0.00 8.00 -1.26 -4.55 116.55 114.30 3m3i n ASP 158 Ca -0.00 -2.09 -0.16 0.00 0.71 0.00 0.00 54.79 53.24 3m3i n ASP 158 Cb 0.61 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 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 0.95 3.04 0.14 0.44 0.00 -0.89 -4.29 105.19 104.58 3m3i n GLY 159 Ca 0.13 -1.40 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 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 0.27 0.62 -0.20 1.61 6.02 -1.26 -4.27 117.38 120.18 3m3i n GLN 160 Ca 0.21 0.18 -0.09 0.00 -0.01 0.00 0.00 57.00 57.30 3m3i n GLN 160 Cb 0.67 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.46 3m3i n GLN 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m3i h ALA 161 N -0.33 0.73 0.00 -1.58 0.00 -1.92 -3.47 119.26 112.69 3m3i h ALA 161 Ca -0.61 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3m3i h ALA 161 Cb 1.79 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3m3i h ALA 161 CO -0.20 0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.90 3m3i n GLY 162 N -0.60 1.09 3.82 0.00 0.00 -1.26 -4.72 105.19 103.52 3m3i n GLY 162 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 -0.00 0.01 1.61 -0.85 -1.26 -4.45 117.35 110.41 3m3i s TYR 163 Ca 0.00 -0.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 3m3i s TYR 163 Cb 0.00 0.60 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 3m3i s TYR 163 CO 0.00 -0.49 -0.03 0.45 -1.52 0.00 0.00 175.55 173.95 3m3i s SER 164 N -3.35 0.32 -0.11 -0.18 0.15 -0.26 -0.80 113.70 109.47 3m3i s SER 164 Ca 0.21 -0.30 -0.00 0.00 0.70 0.00 0.00 55.95 56.56 3m3i s SER 164 Cb 0.01 0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 3m3i s SER 164 CO 0.00 -0.14 -0.08 -0.22 1.20 0.00 0.00 173.24 174.00 3m3i s LEU 165 N -0.85 1.20 0.22 3.45 2.96 0.21 -1.98 118.68 123.88 3m3i s LEU 165 Ca -0.08 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3m3i s LEU 165 Cb -0.06 -0.83 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 3m3i s LEU 165 CO -0.00 -0.11 0.05 0.68 -1.32 0.00 0.00 176.35 175.64 3m3i s VAL 166 N 1.66 0.64 -0.08 1.68 -7.23 -0.67 -1.00 120.40 115.41 3m3i s VAL 166 Ca 0.04 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3m3i s VAL 166 Cb -0.13 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 3m3i s VAL 166 CO -0.08 -0.23 -0.05 -0.44 -0.31 0.00 0.00 175.10 173.99 3m3i s SER 167 N -3.25 4.79 -0.04 4.85 0.01 0.21 -1.85 113.70 118.42 3m3i s SER 167 Ca 0.31 0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.65 3m3i s SER 167 Cb 0.07 -1.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.00 3m3i s SER 167 CO 0.09 0.35 -0.25 0.00 0.41 0.00 0.00 173.24 173.84 3m3i s ILE 169 N -0.43 1.20 -0.20 0.00 1.01 0.10 -0.96 121.20 121.92 3m3i s ILE 169 Ca 0.04 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 3m3i s ILE 169 Cb -0.12 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3m3i s ILE 169 CO 0.01 0.28 0.28 -0.69 0.00 0.00 0.00 174.94 174.82 3m3i s VAL 170 N 1.62 5.29 -0.19 2.92 1.01 -0.24 -0.87 120.40 129.94 3m3i s VAL 170 Ca 0.03 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 3m3i s VAL 170 Cb -0.14 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.71 3m3i s VAL 170 CO -0.08 0.33 0.35 -0.55 0.00 0.00 0.00 175.10 175.14 3m3i s SER 171 N 0.83 0.17 0.94 3.32 0.15 -0.66 -1.49 113.70 116.97 3m3i s SER 171 Ca 0.14 0.60 -0.10 0.00 0.70 0.00 0.00 55.95 57.29 3m3i s SER 171 Cb -0.14 1.03 0.16 0.00 -1.71 0.00 0.00 66.02 65.36 3m3i s SER 171 CO 0.05 -0.26 1.12 -2.65 1.20 0.00 0.00 173.24 172.70 3m3i n PRO 172 N 5.37 -0.61 -1.76 5.44 -0.02 -1.26 -3.58 135.00 138.58 3m3i n PRO 172 Ca -0.06 -0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 60.92 3m3i n PRO 172 Cb 0.50 -2.35 0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.60 2.89 0.56 -1.23 0.00 0.41 -4.75 107.32 102.59 3m3i s GLY 173 Ca 0.67 1.34 -0.20 0.00 0.00 0.00 0.00 44.72 46.53 3m3i s GLY 173 CO 0.59 1.86 1.09 0.33 0.00 0.00 0.00 173.10 176.96 3m3i n PHE 174 N -1.13 1.31 -3.66 1.90 7.35 -1.26 -4.63 117.46 117.34 3m3i n PHE 174 Ca 0.11 0.46 -0.10 0.00 -0.76 0.00 0.00 57.45 57.16 3m3i n PHE 174 Cb 0.45 -2.22 -0.08 0.00 0.35 0.00 0.00 39.48 37.98 3m3i n PHE 174 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3m3i s ASP 175 N -1.07 -0.78 0.61 -2.13 2.15 -1.26 -4.84 116.67 109.35 3m3i s ASP 175 Ca 0.73 1.33 0.33 0.00 0.43 0.00 0.00 52.55 55.36 3m3i s ASP 175 Cb -0.44 1.24 1.91 0.00 -0.30 0.00 0.00 42.92 45.33 3m3i s ASP 175 CO 0.49 -0.23 2.22 0.10 -0.17 0.00 0.00 175.17 177.59 3m3i h TYR 176 N 6.51 0.00 0.00 -5.34 -0.00 -1.96 0.54 116.97 116.72 3m3i h TYR 176 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.42 3m3i h TYR 176 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 3m3i h TYR 176 CO 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.34 3m3i h ARG 177 N 0.00 0.00 0.00 0.10 3.08 -2.02 -2.90 114.38 112.64 3m3i h ARG 177 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3m3i h ARG 177 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3m3i h ARG 177 CO -0.00 0.00 -0.53 -0.25 -1.07 0.00 0.00 179.97 178.12 3m3i n ASP 178 N -2.76 0.52 -4.62 7.04 8.00 0.18 -4.88 116.55 120.03 3m3i n ASP 178 Ca 0.03 -0.23 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 3m3i n ASP 178 Cb 0.38 0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 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 -3.02 3.16 -0.22 1.24 5.36 -1.10 -4.29 117.98 119.12 3m3i s PHE 179 Ca 0.10 0.91 0.01 0.00 -0.96 0.00 0.00 56.93 57.00 3m3i s PHE 179 Cb 0.17 -3.44 0.04 0.00 -0.34 0.00 0.00 43.02 39.45 3m3i s PHE 179 CO 0.71 -0.68 -0.14 -2.00 -1.46 0.00 0.00 175.22 171.64 3m3i s GLU 180 N 3.26 2.69 0.36 10.12 2.12 -1.03 -4.99 118.70 131.22 3m3i s GLU 180 Ca 0.37 -1.05 -0.05 0.00 0.36 0.00 0.00 54.97 54.61 3m3i s GLU 180 Cb -0.13 -2.76 -0.05 0.00 0.26 0.00 0.00 34.13 31.46 3m3i s GLU 180 CO 0.14 -0.37 0.64 -1.50 -0.54 0.00 0.00 175.26 173.63 3m3i s ILE 181 N 1.23 4.97 0.27 -3.70 1.10 -1.26 -1.15 121.20 122.66 3m3i s ILE 181 Ca -0.01 0.10 0.05 0.00 -0.51 0.00 0.00 60.65 60.27 3m3i s ILE 181 Cb -0.16 -3.79 -0.06 0.00 0.15 0.00 0.00 42.46 38.61 3m3i s ILE 181 CO -0.09 -0.52 -0.01 -0.36 -2.11 0.00 0.00 174.94 171.86 3m3i s PHE 182 N -2.32 1.81 0.30 3.50 0.40 -1.21 -4.99 117.98 115.47 3m3i s PHE 182 Ca 0.45 -0.84 0.10 0.00 -0.60 0.00 0.00 56.93 56.04 3m3i s PHE 182 Cb -0.10 -1.08 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 3m3i s PHE 182 CO 0.35 0.09 -0.09 0.95 0.70 0.00 0.00 175.22 177.22 3m3i s THR 183 N -3.23 2.66 0.09 0.64 -4.23 -1.26 -3.52 115.64 106.78 3m3i s THR 183 Ca 0.31 -2.17 -0.35 0.00 -1.18 0.00 0.00 61.69 58.30 3m3i s THR 183 Cb 0.06 -2.59 -0.16 0.00 1.34 0.00 0.00 72.50 71.14 3m3i s THR 183 CO 0.11 -0.31 1.54 1.56 -0.54 0.00 0.00 174.62 176.99 3m3i h GLN 184 N 2.03 -0.91 -0.77 3.99 4.20 -0.34 -2.77 115.11 120.55 3m3i h GLN 184 Ca -0.42 0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.48 3m3i h GLN 184 Cb 1.25 0.21 -0.13 0.00 0.30 0.00 0.00 27.48 29.11 3m3i h GLN 184 CO 0.64 -0.61 -0.37 0.00 -0.67 0.00 0.00 178.83 177.82 3m3i h ALA 185 N -0.87 0.01 -0.59 3.87 0.00 -1.92 -0.70 119.26 119.06 3m3i h ALA 185 Ca -0.05 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3m3i h ALA 185 Cb 0.84 0.90 -0.12 0.00 0.00 0.00 0.00 17.79 19.41 3m3i h ALA 185 CO -0.10 -0.67 -0.26 0.37 0.00 0.00 0.00 179.25 178.59 3m3i h GLN 186 N -0.10 -0.11 0.00 0.00 4.15 -1.92 0.03 115.11 117.17 3m3i h GLN 186 Ca 0.28 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 3m3i h GLN 186 Cb 0.57 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3m3i h GLN 186 CO -0.81 -0.07 -0.21 -0.07 -1.93 0.00 0.00 178.83 175.74 3m3i h LEU 187 N -0.11 0.00 -0.71 -2.39 3.38 -0.98 -2.98 115.31 111.52 3m3i h LEU 187 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 3m3i h LEU 187 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3m3i h LEU 187 CO -0.66 0.21 -0.54 0.24 0.09 0.00 0.00 178.44 177.78 3m3i h MET 188 N 0.00 0.29 0.00 1.13 2.86 0.39 0.22 114.93 119.82 3m3i h MET 188 Ca -0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3m3i h MET 188 Cb 0.91 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.58 3m3i h MET 188 CO 0.03 0.75 0.00 0.93 1.06 0.00 0.00 176.91 179.68 3m3i h GLU 189 N 0.22 0.00 0.00 1.72 5.08 -1.13 -3.28 114.58 117.19 3m3i h GLU 189 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3m3i h GLU 189 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3m3i h GLU 189 CO 0.09 0.00 -1.58 1.28 -1.00 0.00 0.00 179.01 177.80 3m3i n LEU 190 N -3.09 0.94 -2.51 1.33 4.77 -1.17 -4.91 117.00 112.36 3m3i n LEU 190 Ca 0.01 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 3m3i n LEU 190 Cb 0.30 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3m3i n LEU 190 CO 0.27 0.18 0.06 -1.22 -1.33 0.00 0.00 177.39 175.36 3m3i n TYR 191 N -3.60 2.30 0.29 -1.77 4.01 0.78 -4.94 117.16 114.24 3m3i n TYR 191 Ca -0.23 -2.73 0.15 0.00 -0.16 0.00 0.00 57.90 54.93 3m3i n TYR 191 Cb 0.63 -0.24 0.69 0.00 -0.31 0.00 0.00 39.34 40.11 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 2.64 0.00 0.00 -0.72 0.13 -1.61 -2.20 132.00 130.24 3m3i h PRO 192 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3m3i h PRO 192 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3m3i h PRO 192 CO 0.63 0.00 0.25 -0.56 -0.23 0.00 0.00 178.00 178.09 3m3i h GLN 193 N 0.00 0.00 -0.70 0.86 -0.00 -1.91 0.02 115.11 113.37 3m3i h GLN 193 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.65 58.25 3m3i h GLN 193 Cb 0.21 0.00 -0.23 0.00 -0.00 0.00 0.00 27.48 27.46 3m3i h GLN 193 CO 0.00 0.00 0.26 0.72 -0.00 0.00 0.00 178.83 179.81 3m3i n HIS 194 N -2.13 2.21 -0.29 0.06 8.25 -0.83 -4.79 115.22 117.70 3m3i n HIS 194 Ca -0.01 -1.93 0.18 0.00 -0.26 0.00 0.00 57.72 55.69 3m3i n HIS 194 Cb 0.28 -0.78 0.45 0.00 1.12 0.00 0.00 29.99 31.06 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 1.22 0.50 0.17 -0.41 4.81 -1.22 -1.94 114.58 117.71 3m3i h GLU 195 Ca 0.44 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 3m3i h GLU 195 Cb 1.98 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.25 3m3i h GLU 195 CO 0.84 0.33 -0.08 0.00 -0.73 0.00 0.00 179.01 179.37 3m3i h ALA 196 N 1.62 -0.22 -0.21 2.92 0.00 -1.86 -1.12 119.26 120.38 3m3i h ALA 196 Ca 0.53 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 3m3i h ALA 196 Cb 1.15 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3m3i h ALA 196 CO -0.26 -0.51 -0.35 -0.24 0.00 0.00 0.00 179.25 177.90 3m3i h VAL 197 N -0.46 1.29 0.33 0.00 3.04 -1.90 -2.62 116.25 115.93 3m3i h VAL 197 Ca -0.02 -1.45 -0.02 0.00 -1.01 0.00 0.00 66.70 64.20 3m3i h VAL 197 Cb 0.36 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3m3i h VAL 197 CO 0.04 0.45 -0.16 0.40 -1.01 0.00 0.00 177.57 177.29 3m3i h ILE 198 N 0.39 0.68 -0.02 3.17 2.04 -1.30 0.25 117.51 122.73 3m3i h ILE 198 Ca 0.04 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3m3i h ILE 198 Cb 0.80 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3m3i h ILE 198 CO 0.06 0.02 -0.04 0.11 0.00 0.00 0.00 178.15 178.31 3m3i h LYS 199 N -0.50 0.02 -0.01 2.37 1.57 -1.22 0.15 116.57 118.94 3m3i h LYS 199 Ca -0.05 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3m3i h LYS 199 Cb 0.38 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3m3i h LYS 199 CO 0.07 0.06 -0.45 0.37 -0.57 0.00 0.00 179.45 178.94 3m3i h GLN 200 N 0.02 0.32 0.00 3.15 4.15 -1.14 -3.42 115.11 118.19 3m3i h GLN 200 Ca 0.01 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.06 3m3i h GLN 200 Cb 0.08 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3m3i h GLN 200 CO 0.00 1.02 -1.46 -1.33 -1.93 0.00 0.00 178.83 175.13 3m3i n MET 201 N -4.34 0.83 -3.00 1.69 2.81 0.86 -5.01 117.12 110.96 3m3i n MET 201 Ca -0.10 -0.07 -0.33 0.00 -1.81 0.00 0.00 57.70 55.40 3m3i n MET 201 Cb 0.60 -1.22 -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 -2.54 3.21 0.63 3.04 0.00 0.49 -2.25 121.76 124.34 3m3i s ALA 202 Ca -0.04 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 3m3i s ALA 202 Cb 0.05 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 3m3i s ALA 202 CO 0.38 0.25 1.14 0.71 0.00 0.00 0.00 175.76 178.23 3m3i s TYR 203 N -2.02 2.54 -2.90 0.00 2.02 -1.23 -4.61 117.35 111.14 3m3i s TYR 203 Ca 0.57 1.55 0.25 0.00 -0.37 0.00 0.00 57.07 59.07 3m3i s TYR 203 Cb -0.10 -3.27 0.37 0.00 -0.40 0.00 0.00 41.96 38.56 3m3i s TYR 203 CO 0.16 -1.83 1.36 -0.85 -1.57 0.00 0.00 175.55 172.82