#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2m s VAL 25 N 0.00 4.68 0.01 3.15 -7.23 0.03 -5.02 120.40 116.03 1i2m s VAL 25 Ca 0.00 0.97 -0.12 0.00 -1.81 0.00 0.00 61.98 61.02 1i2m s VAL 25 Cb 0.00 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.30 1i2m s VAL 25 CO 0.00 -0.09 0.25 -0.94 -0.31 0.00 0.00 175.10 174.00 1i2m s SER 26 N -2.15 -0.09 -0.17 4.85 1.04 -1.26 -4.92 113.70 111.00 1i2m s SER 26 Ca 0.51 -0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.55 1i2m s SER 26 Cb -0.12 0.29 0.08 0.00 0.10 0.00 0.00 66.02 66.38 1i2m s SER 26 CO 0.18 -0.48 0.77 -2.28 0.98 0.00 0.00 173.24 172.42 1i2m s HIS 27 N -1.78 -0.66 0.27 5.02 2.46 -1.26 -4.93 115.29 114.41 1i2m s HIS 27 Ca -0.11 1.38 0.32 0.00 0.47 0.00 0.00 55.06 57.12 1i2m s HIS 27 Cb -0.04 0.36 1.73 0.00 -0.13 0.00 0.00 32.58 34.50 1i2m s HIS 27 CO 0.01 -0.45 1.97 0.07 -2.47 0.00 0.00 174.74 173.87 1i2m h ARG 28 N 3.85 0.00 0.00 2.88 0.11 -1.95 -1.55 114.38 117.72 1i2m h ARG 28 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1i2m h ARG 28 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1i2m h ARG 28 CO 0.22 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.95 1i2m h SER 29 N 0.00 0.00 -3.13 0.08 4.64 -1.96 -3.45 113.55 109.73 1i2m h SER 29 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1i2m h SER 29 Cb 0.10 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1i2m h SER 29 CO 0.00 0.00 0.78 -1.00 -0.87 0.00 0.00 176.83 175.74 1i2m s HIS 30 N -3.14 3.11 -0.07 4.77 3.76 -0.59 -5.00 115.29 118.14 1i2m s HIS 30 Ca 0.09 0.91 -0.11 0.00 -0.15 0.00 0.00 55.06 55.81 1i2m s HIS 30 Cb 0.11 -3.80 -0.05 0.00 1.11 0.00 0.00 32.58 29.95 1i2m s HIS 30 CO 0.60 -2.75 0.27 -1.12 -0.85 0.00 0.00 174.74 170.89 1i2m s SER 31 N 0.75 6.58 0.00 1.40 0.01 -1.26 -4.98 113.70 116.20 1i2m s SER 31 Ca 0.63 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.59 1i2m s SER 31 Cb -0.41 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1i2m s SER 31 CO 0.36 0.36 0.09 0.35 0.41 0.00 0.00 173.24 174.82 1i2m n THR 32 N 1.96 0.00 -3.02 1.44 -2.24 -1.26 -4.80 114.28 106.35 1i2m n THR 32 Ca -0.17 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1i2m n THR 32 Cb 0.54 1.74 -0.06 0.00 -2.10 0.00 0.00 70.33 70.45 1i2m n THR 32 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1i2m s GLU 33 N -0.02 3.55 0.34 -0.78 2.12 -1.26 -4.97 118.70 117.69 1i2m s GLU 33 Ca 0.00 0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 1i2m s GLU 33 Cb 0.00 -3.87 -0.11 0.00 0.26 0.00 0.00 34.13 30.41 1i2m s GLU 33 CO 0.00 -0.93 1.53 -1.25 -0.54 0.00 0.00 175.26 174.07 1i2m s PRO 34 N 3.02 4.12 0.28 4.30 0.04 -1.26 -4.47 135.00 141.03 1i2m s PRO 34 Ca 0.28 2.56 -0.07 0.00 0.04 0.00 0.00 61.00 63.81 1i2m s PRO 34 Cb -0.13 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.44 1i2m s PRO 34 CO 0.19 -0.57 0.50 0.41 0.04 0.00 0.00 177.00 177.57 1i2m n GLY 35 N 1.20 1.70 3.82 0.56 0.00 0.65 -4.83 105.19 108.29 1i2m n GLY 35 Ca 0.04 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 1i2m n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i2m s LEU 36 N 0.00 4.00 -0.19 0.99 1.43 0.19 -2.29 118.68 122.81 1i2m s LEU 36 Ca 0.16 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1i2m s LEU 36 Cb -0.02 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1i2m s LEU 36 CO 0.12 0.21 0.17 -0.69 0.23 0.00 0.00 176.35 176.40 1i2m s VAL 37 N -1.34 5.38 0.06 -1.59 1.01 -1.26 -0.11 120.40 122.55 1i2m s VAL 37 Ca 0.28 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.63 1i2m s VAL 37 Cb -0.12 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1i2m s VAL 37 CO 0.20 0.42 -0.23 -0.76 0.00 0.00 0.00 175.10 174.73 1i2m s LEU 38 N 0.44 2.19 0.14 3.92 1.43 -0.04 -1.01 118.68 125.76 1i2m s LEU 38 Ca 0.10 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1i2m s LEU 38 Cb -0.12 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1i2m s LEU 38 CO -0.00 0.19 -0.10 0.42 0.23 0.00 0.00 176.35 177.08 1i2m s THR 39 N -0.86 1.17 0.15 5.49 -4.23 -0.08 -0.55 115.64 116.74 1i2m s THR 39 Ca 0.10 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.38 1i2m s THR 39 Cb -0.09 -1.80 0.06 0.00 1.34 0.00 0.00 72.50 72.01 1i2m s THR 39 CO 0.02 -0.71 0.56 -1.48 -0.54 0.00 0.00 174.62 172.47 1i2m s LEU 40 N -3.08 -0.37 0.00 4.79 2.34 -0.64 -0.77 118.68 120.96 1i2m s LEU 40 Ca 0.16 -0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.28 1i2m s LEU 40 Cb 0.02 2.44 0.00 0.00 -0.56 0.00 0.00 46.19 48.09 1i2m s LEU 40 CO 0.01 -0.95 0.00 0.61 -1.06 0.00 0.00 176.35 174.96 1i2m n GLY 41 N -0.35 0.20 3.86 -3.48 0.00 0.06 -0.81 105.19 104.66 1i2m n GLY 41 Ca -0.17 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 1i2m n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i2m s GLN 42 N 0.00 3.91 -0.00 1.61 -1.52 -0.19 -1.25 119.66 122.21 1i2m s GLN 42 Ca 0.00 0.46 0.24 0.00 -1.95 0.00 0.00 55.36 54.11 1i2m s GLN 42 Cb 0.00 -2.61 0.40 0.00 -0.22 0.00 0.00 33.01 30.58 1i2m s GLN 42 CO 0.00 0.28 1.16 0.41 -0.25 0.00 0.00 175.29 176.89 1i2m n GLY 43 N -0.09 1.06 0.41 3.09 0.00 0.98 -4.49 105.19 106.14 1i2m n GLY 43 Ca 0.01 -0.80 0.21 0.00 0.00 0.00 0.00 46.02 45.44 1i2m n GLY 43 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i2m h ASP 44 N 0.93 0.40 -0.30 1.61 3.32 -1.88 -1.65 116.42 118.85 1i2m h ASP 44 Ca -0.21 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1i2m h ASP 44 Cb 1.84 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1i2m h ASP 44 CO 0.09 0.14 0.00 1.33 -1.72 0.00 0.00 179.24 179.08 1i2m n VAL 45 N -4.52 2.05 -0.42 -1.35 0.24 -1.26 -4.96 118.33 108.11 1i2m n VAL 45 Ca 0.21 -1.67 0.00 0.00 -2.04 0.00 0.00 64.34 60.84 1i2m n VAL 45 Cb 0.76 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 1i2m n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i2m n GLY 46 N -0.23 0.75 0.05 7.63 0.00 -0.62 -2.65 105.19 110.13 1i2m n GLY 46 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1i2m n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2m n GLN 47 N -2.22 0.06 0.11 1.61 0.00 -1.26 -1.74 117.38 113.93 1i2m n GLN 47 Ca 0.00 0.41 0.08 0.00 0.00 0.00 0.00 57.00 57.49 1i2m n GLN 47 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 28.59 1i2m n GLN 47 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1i2m h LEU 48 N 0.00 0.00 1.22 2.61 3.38 -1.83 -3.42 115.31 117.27 1i2m h LEU 48 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1i2m h LEU 48 Cb 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1i2m h LEU 48 CO 0.00 0.21 -0.29 0.61 0.09 0.00 0.00 178.44 179.06 1i2m n GLY 49 N 1.23 0.67 1.23 0.83 0.00 -0.71 -4.77 105.19 103.67 1i2m n GLY 49 Ca -0.02 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1i2m n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i2m n LEU 50 N -1.70 4.35 0.00 0.99 4.77 -1.08 -4.37 117.00 119.97 1i2m n LEU 50 Ca -0.14 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.12 1i2m n LEU 50 Cb 0.52 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1i2m n LEU 50 CO 0.19 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1i2m n GLY 51 N 0.27 0.41 0.27 -0.72 0.00 -0.01 -4.49 105.19 100.92 1i2m n GLY 51 Ca 0.22 -1.98 0.18 0.00 0.00 0.00 0.00 46.02 44.45 1i2m n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i2m h GLU 52 N 0.00 0.00 -0.35 1.61 5.08 -1.86 -3.21 114.58 115.85 1i2m h GLU 52 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i2m h GLU 52 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i2m h GLU 52 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 1i2m n ASN 53 N -2.89 3.07 -4.04 1.42 3.02 -1.26 -4.80 115.26 109.77 1i2m n ASN 53 Ca -0.01 -1.90 -0.33 0.00 -0.03 0.00 0.00 54.58 52.31 1i2m n ASN 53 Cb 0.19 -0.23 -0.13 0.00 -0.61 0.00 0.00 39.78 39.00 1i2m n ASN 53 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i2m s VAL 54 N -1.14 2.88 -1.29 2.41 1.01 -1.21 -4.91 120.40 118.14 1i2m s VAL 54 Ca 0.30 -2.61 0.24 0.00 0.00 0.00 0.00 61.98 59.91 1i2m s VAL 54 Cb 0.17 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1i2m s VAL 54 CO 0.23 -0.72 1.28 0.23 0.00 0.00 0.00 175.10 176.12 1i2m n MET 55 N 3.94 0.33 -3.61 2.72 2.81 -1.26 -4.69 117.12 117.35 1i2m n MET 55 Ca 0.03 -0.23 -0.15 0.00 -1.81 0.00 0.00 57.70 55.55 1i2m n MET 55 Cb 0.39 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.33 1i2m n MET 55 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1i2m s GLU 56 N -2.83 0.87 -0.16 0.03 2.12 -1.26 -0.02 118.70 117.46 1i2m s GLU 56 Ca 0.14 0.83 -0.02 0.00 0.36 0.00 0.00 54.97 56.28 1i2m s GLU 56 Cb 0.18 0.42 0.05 0.00 0.26 0.00 0.00 34.13 35.04 1i2m s GLU 56 CO 0.69 -0.14 0.03 1.03 -0.54 0.00 0.00 175.26 176.32 1i2m s ARG 57 N 0.06 0.64 0.30 4.30 1.81 -0.38 -4.98 118.95 120.70 1i2m s ARG 57 Ca -0.02 -0.26 0.25 0.00 -1.72 0.00 0.00 55.73 53.98 1i2m s ARG 57 Cb -0.04 -1.78 0.62 0.00 -0.45 0.00 0.00 34.95 33.30 1i2m s ARG 57 CO 0.03 -0.54 1.70 0.87 -0.68 0.00 0.00 175.30 176.68 1i2m h LYS 58 N 8.27 0.00 -5.21 3.54 1.57 -1.87 0.20 116.57 123.07 1i2m h LYS 58 Ca -0.17 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.22 1i2m h LYS 58 Cb 1.12 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.22 1i2m h LYS 58 CO 0.32 0.00 -0.77 0.15 -0.57 0.00 0.00 179.45 178.58 1i2m s LYS 59 N -3.15 0.79 0.04 3.15 -0.14 -1.26 -3.76 119.74 115.40 1i2m s LYS 59 Ca 0.09 -0.95 -0.37 0.00 -1.36 0.00 0.00 55.97 53.38 1i2m s LYS 59 Cb 0.09 -0.73 -0.16 0.00 -1.68 0.00 0.00 37.83 35.35 1i2m s LYS 59 CO 0.63 0.16 1.46 -2.30 -0.76 0.00 0.00 175.35 174.53 1i2m n PRO 60 N 1.23 1.34 -5.25 -1.68 -0.02 -1.26 -4.74 135.00 124.61 1i2m n PRO 60 Ca -0.21 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 1i2m n PRO 60 Cb 0.54 -2.16 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 1i2m n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i2m s ALA 61 N 1.13 2.07 0.08 3.55 0.00 0.05 -4.47 121.76 124.18 1i2m s ALA 61 Ca 0.86 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.44 1i2m s ALA 61 Cb -0.92 -0.54 -0.07 0.00 0.00 0.00 0.00 23.12 21.59 1i2m s ALA 61 CO 0.48 0.50 1.28 -1.17 0.00 0.00 0.00 175.76 176.85 1i2m s LEU 62 N -0.54 4.37 -0.17 0.00 2.96 -1.26 -0.91 118.68 123.12 1i2m s LEU 62 Ca 0.08 2.15 -0.08 0.00 -0.22 0.00 0.00 54.13 56.06 1i2m s LEU 62 Cb -0.10 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1i2m s LEU 62 CO -0.01 -0.55 0.11 -0.69 -1.32 0.00 0.00 176.35 173.89 1i2m s VAL 63 N 1.11 5.19 -0.30 1.68 1.01 -0.18 -4.95 120.40 123.97 1i2m s VAL 63 Ca 0.61 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 1i2m s VAL 63 Cb -0.33 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1i2m s VAL 63 CO 0.29 0.49 1.06 -0.44 0.00 0.00 0.00 175.10 176.50 1i2m s SER 64 N 0.01 6.95 -0.04 3.32 0.01 -1.26 -4.60 113.70 118.09 1i2m s SER 64 Ca 0.08 1.09 0.01 0.00 1.31 0.00 0.00 55.95 58.44 1i2m s SER 64 Cb -0.12 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1i2m s SER 64 CO 0.00 -0.83 -0.06 -0.63 0.41 0.00 0.00 173.24 172.13 1i2m s ILE 65 N 3.54 0.62 -1.64 1.44 1.01 -1.26 -4.70 121.20 120.21 1i2m s ILE 65 Ca 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1i2m s ILE 65 Cb -0.13 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1i2m s ILE 65 CO 0.14 0.24 0.53 -0.81 0.00 0.00 0.00 174.94 175.03 1i2m n PRO 66 N 3.95 0.00 -4.07 2.79 -0.04 -1.26 -4.71 135.00 131.66 1i2m n PRO 66 Ca -0.25 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 1i2m n PRO 66 Cb 0.51 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 1i2m n PRO 66 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1i2m s GLU 67 N -2.05 1.28 0.37 0.54 2.02 -1.26 -5.14 118.70 114.45 1i2m s GLU 67 Ca 0.00 -1.37 -0.25 0.00 0.02 0.00 0.00 54.97 53.37 1i2m s GLU 67 Cb 0.00 0.36 -0.09 0.00 0.10 0.00 0.00 34.13 34.50 1i2m s GLU 67 CO 0.00 -0.47 1.04 -0.51 0.02 0.00 0.00 175.26 175.34 1i2m s ASP 68 N -3.05 6.94 -0.09 -0.19 1.01 -1.26 -4.96 116.67 115.07 1i2m s ASP 68 Ca 0.27 2.03 -0.01 0.00 0.71 0.00 0.00 52.55 55.55 1i2m s ASP 68 Cb 0.04 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1i2m s ASP 68 CO 0.07 -0.36 -0.05 -0.69 0.21 0.00 0.00 175.17 174.35 1i2m s VAL 69 N -1.58 3.82 -0.21 -1.27 1.01 -0.97 -1.29 120.40 119.90 1i2m s VAL 69 Ca 0.54 -0.42 0.15 0.00 0.00 0.00 0.00 61.98 62.25 1i2m s VAL 69 Cb -0.23 -2.59 -0.21 0.00 0.00 0.00 0.00 36.38 33.35 1i2m s VAL 69 CO 0.29 0.58 0.41 1.33 0.00 0.00 0.00 175.10 177.71 1i2m n VAL 70 N 2.52 0.00 -3.73 2.92 0.24 0.27 -0.25 118.33 120.29 1i2m n VAL 70 Ca -0.18 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 61.71 1i2m n VAL 70 Cb 0.53 0.40 -0.11 0.00 -1.47 0.00 0.00 33.84 33.19 1i2m n VAL 70 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1i2m s GLN 71 N -2.85 0.34 -0.17 7.34 0.74 -1.17 -4.45 119.66 119.43 1i2m s GLN 71 Ca -0.02 0.57 -0.01 0.00 0.05 0.00 0.00 55.36 55.94 1i2m s GLN 71 Cb 0.10 0.05 0.05 0.00 1.10 0.00 0.00 33.01 34.30 1i2m s GLN 71 CO 0.62 -0.11 -0.03 0.00 -0.55 0.00 0.00 175.29 175.22 1i2m s ALA 72 N 0.79 1.35 -0.09 1.58 0.00 -1.26 -0.43 121.76 123.70 1i2m s ALA 72 Ca -0.05 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1i2m s ALA 72 Cb -0.06 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1i2m s ALA 72 CO -0.06 -0.89 -0.12 -1.21 0.00 0.00 0.00 175.76 173.49 1i2m s GLU 73 N 1.69 2.91 -0.21 0.00 0.41 0.72 -4.56 118.70 119.66 1i2m s GLU 73 Ca 0.00 -0.66 -0.11 0.00 -0.41 0.00 0.00 54.97 53.79 1i2m s GLU 73 Cb -0.16 -2.53 -0.05 0.00 -1.78 0.00 0.00 34.13 29.61 1i2m s GLU 73 CO -0.07 0.47 0.20 0.00 -0.49 0.00 0.00 175.26 175.36 1i2m s ALA 74 N -0.31 3.63 0.35 5.21 0.00 -1.26 -0.81 121.76 128.56 1i2m s ALA 74 Ca 0.03 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1i2m s ALA 74 Cb -0.13 -2.31 0.05 0.00 0.00 0.00 0.00 23.12 20.74 1i2m s ALA 74 CO 0.03 -0.01 0.40 0.41 0.00 0.00 0.00 175.76 176.58 1i2m n GLY 75 N 3.78 1.60 0.16 0.00 0.00 0.14 -4.57 105.19 106.30 1i2m n GLY 75 Ca -0.14 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 1i2m n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i2m h GLY 76 N -0.05 0.45 -3.63 -0.02 0.00 -1.51 -3.33 103.07 94.98 1i2m h GLY 76 Ca -0.13 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 46.95 1i2m h GLY 76 CO 0.18 0.00 -1.04 1.03 0.00 0.00 0.00 176.54 176.71 1i2m n MET 77 N -5.05 0.47 -3.94 4.80 2.81 -1.26 -1.66 117.12 113.28 1i2m n MET 77 Ca 0.02 -2.37 -0.08 0.00 -1.81 0.00 0.00 57.70 53.45 1i2m n MET 77 Cb 0.15 -0.41 -0.04 0.00 -0.71 0.00 0.00 33.22 32.21 1i2m n MET 77 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1i2m s HIS 78 N -1.00 0.17 0.01 2.03 0.00 -1.25 -1.48 115.29 113.77 1i2m s HIS 78 Ca 0.31 -0.57 0.02 0.00 -3.00 0.00 0.00 55.06 51.82 1i2m s HIS 78 Cb 0.36 0.40 -0.01 0.00 -4.00 0.00 0.00 32.58 29.33 1i2m s HIS 78 CO -0.13 -1.11 -0.06 0.99 -1.00 0.00 0.00 174.74 173.42 1i2m s THR 79 N -3.89 0.47 -0.07 -5.38 2.01 0.10 0.25 115.64 109.12 1i2m s THR 79 Ca 0.18 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1i2m s THR 79 Cb -0.03 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.05 1i2m s THR 79 CO 0.09 -0.06 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.20 1i2m s VAL 80 N -0.57 0.79 -0.00 3.82 1.01 0.01 -1.80 120.40 123.66 1i2m s VAL 80 Ca -0.02 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1i2m s VAL 80 Cb -0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1i2m s VAL 80 CO 0.00 0.30 -0.24 0.00 0.00 0.00 0.00 175.10 175.16 1i2m s LEU 82 N -0.84 3.11 0.61 0.00 2.96 0.43 -0.66 118.68 124.28 1i2m s LEU 82 Ca 0.11 -0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 1i2m s LEU 82 Cb -0.10 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1i2m s LEU 82 CO 0.00 0.04 0.97 -0.94 -1.32 0.00 0.00 176.35 175.10 1i2m s SER 83 N 1.14 5.93 0.54 3.68 1.04 0.04 -0.57 113.70 125.50 1i2m s SER 83 Ca 0.02 1.12 0.36 0.00 0.48 0.00 0.00 55.95 57.93 1i2m s SER 83 Cb -0.14 -2.15 1.91 0.00 0.10 0.00 0.00 66.02 65.73 1i2m s SER 83 CO 0.01 -0.96 2.10 0.50 0.98 0.00 0.00 173.24 175.87 1i2m h LYS 84 N -0.26 0.00 -0.01 4.02 3.64 -1.52 -0.91 116.57 121.53 1i2m h LYS 84 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1i2m h LYS 84 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1i2m h LYS 84 CO 0.62 0.00 -0.13 -1.13 -2.27 0.00 0.00 179.45 176.54 1i2m n SER 85 N -2.80 1.47 0.00 4.20 3.41 -1.26 -4.93 113.62 113.70 1i2m n SER 85 Ca -0.02 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1i2m n SER 85 Cb 0.09 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1i2m n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i2m n GLY 86 N 1.27 0.78 3.89 5.00 0.00 -0.35 -4.77 105.19 111.01 1i2m n GLY 86 Ca 0.15 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1i2m n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i2m s GLN 87 N -0.73 3.37 -0.12 1.61 -0.21 -1.26 -1.81 119.66 120.52 1i2m s GLN 87 Ca 0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 54.96 1i2m s GLN 87 Cb 0.00 -3.04 -0.03 0.00 1.00 0.00 0.00 33.01 30.94 1i2m s GLN 87 CO 0.00 0.65 0.01 0.08 -2.12 0.00 0.00 175.29 173.91 1i2m s VAL 88 N -1.36 4.37 0.09 1.09 1.01 -1.26 -0.78 120.40 123.56 1i2m s VAL 88 Ca 0.29 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1i2m s VAL 88 Cb -0.13 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1i2m s VAL 88 CO 0.21 0.56 -0.23 -0.31 0.00 0.00 0.00 175.10 175.33 1i2m s TYR 89 N -0.41 1.97 0.07 5.22 1.51 0.16 -0.77 117.35 125.11 1i2m s TYR 89 Ca 0.08 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.65 1i2m s TYR 89 Cb -0.12 -1.10 -0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1i2m s TYR 89 CO 0.02 0.21 0.19 -1.54 -1.11 0.00 0.00 175.55 173.31 1i2m s SER 90 N -1.73 0.09 -0.08 2.29 1.04 -0.21 -0.50 113.70 114.61 1i2m s SER 90 Ca 0.09 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 55.68 1i2m s SER 90 Cb -0.10 0.31 0.08 0.00 0.10 0.00 0.00 66.02 66.41 1i2m s SER 90 CO 0.04 -0.65 0.72 0.72 0.98 0.00 0.00 173.24 175.04 1i2m s PHE 91 N -3.30 -0.64 -3.18 5.02 -0.12 -0.74 -1.54 117.98 113.47 1i2m s PHE 91 Ca 0.01 1.15 0.00 0.00 -0.05 0.00 0.00 56.93 58.03 1i2m s PHE 91 Cb 0.02 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 1i2m s PHE 91 CO -0.08 -0.56 0.00 0.41 -0.05 0.00 0.00 175.22 174.94 1i2m n GLY 92 N 1.04 0.82 3.68 1.99 0.00 -0.53 0.01 105.19 112.21 1i2m n GLY 92 Ca -0.18 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1i2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2m n ASN 94 N 5.72 3.85 0.11 0.00 5.15 -1.26 -4.40 115.26 124.43 1i2m n ASN 94 Ca 0.12 -2.68 0.16 0.00 -0.60 0.00 0.00 54.58 51.59 1i2m n ASN 94 Cb 0.45 -0.47 0.70 0.00 -0.53 0.00 0.00 39.78 39.93 1i2m n ASN 94 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1i2m h ASP 95 N 2.25 0.00 -0.22 1.20 3.32 -2.00 -1.47 116.42 119.50 1i2m h ASP 95 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i2m h ASP 95 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1i2m h ASP 95 CO 0.18 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.08 1i2m n GLU 96 N -4.31 2.43 -0.61 3.56 -0.58 -1.26 -4.98 120.64 114.88 1i2m n GLU 96 Ca 0.05 -1.76 0.00 0.00 -0.42 0.00 0.00 57.16 55.03 1i2m n GLU 96 Cb 0.42 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1i2m n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i2m n GLY 97 N 0.31 0.69 0.36 0.62 0.00 -0.55 -3.71 105.19 102.90 1i2m n GLY 97 Ca 0.08 -0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1i2m n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2m h ALA 98 N 0.00 2.20 0.00 4.61 0.00 -1.77 -1.80 119.26 122.51 1i2m h ALA 98 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i2m h ALA 98 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i2m h ALA 98 CO 0.00 -0.50 0.00 -0.07 0.00 0.00 0.00 179.25 178.68 1i2m h LEU 99 N 0.00 0.00 1.63 0.00 3.38 -1.89 -3.41 115.31 115.02 1i2m h LEU 99 Ca 0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.82 1i2m h LEU 99 Cb 0.80 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 1i2m h LEU 99 CO -0.00 0.00 -0.36 0.61 0.09 0.00 0.00 178.44 178.77 1i2m n GLY 100 N 0.63 0.54 3.38 0.83 0.00 -0.68 -4.75 105.19 105.14 1i2m n GLY 100 Ca 0.03 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1i2m n GLY 100 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i2m s ARG 101 N -4.18 1.17 0.15 1.61 1.70 -1.23 -4.43 118.95 113.75 1i2m s ARG 101 Ca 0.00 -0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 54.28 1i2m s ARG 101 Cb 0.00 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.82 1i2m s ARG 101 CO 0.00 -0.48 1.00 0.34 -1.08 0.00 0.00 175.30 175.08 1i2m s ASP 102 N -2.80 7.45 -0.31 -2.89 2.15 -1.26 -4.96 116.67 114.05 1i2m s ASP 102 Ca 0.04 1.90 0.10 0.00 0.43 0.00 0.00 52.55 55.02 1i2m s ASP 102 Cb 0.01 -2.60 0.46 0.00 -0.30 0.00 0.00 42.92 40.50 1i2m s ASP 102 CO -0.11 -0.08 1.15 0.35 -0.17 0.00 0.00 175.17 176.32 1i2m n THR 103 N 2.51 2.19 0.24 1.71 -2.24 -1.26 -4.76 114.28 112.67 1i2m n THR 103 Ca 0.02 -4.01 0.12 0.00 -2.27 0.00 0.00 64.05 57.91 1i2m n THR 103 Cb 0.48 -0.59 0.52 0.00 -2.10 0.00 0.00 70.33 68.64 1i2m n THR 103 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1i2m h SER 104 N 2.36 0.00 -3.11 3.42 0.02 -1.99 -3.43 113.55 110.82 1i2m h SER 104 Ca 0.24 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.65 1i2m h SER 104 Cb 1.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1i2m h SER 104 CO 0.64 0.15 0.65 -0.69 -1.14 0.00 0.00 176.83 176.45 1i2m s VAL 105 N -3.65 4.05 0.02 2.27 1.01 -1.26 -4.93 120.40 117.91 1i2m s VAL 105 Ca 0.01 1.44 -0.34 0.00 0.00 0.00 0.00 61.98 63.08 1i2m s VAL 105 Cb 0.10 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.42 1i2m s VAL 105 CO 0.61 0.06 1.72 1.21 0.00 0.00 0.00 175.10 178.69 1i2m n GLU 106 N 4.57 2.08 -0.73 2.72 2.13 -1.26 -1.11 120.64 129.04 1i2m n GLU 106 Ca 0.10 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1i2m n GLU 106 Cb 0.46 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.61 1i2m n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i2m n GLY 107 N 3.87 1.46 0.32 8.31 0.00 -1.26 -4.90 105.19 112.99 1i2m n GLY 107 Ca 0.20 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.43 1i2m n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i2m h SER 108 N 0.00 0.00 1.31 1.61 4.64 -1.40 -0.28 113.55 119.43 1i2m h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i2m h SER 108 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i2m h SER 108 CO 0.00 0.01 -0.16 -1.84 -0.87 0.00 0.00 176.83 173.97 1i2m n GLU 109 N -3.22 0.26 0.00 4.77 0.00 -1.26 -3.63 120.64 117.56 1i2m n GLU 109 Ca -0.03 0.18 0.14 0.00 0.00 0.00 0.00 57.16 57.45 1i2m n GLU 109 Cb 0.10 -1.77 0.60 0.00 0.00 0.00 0.00 31.44 30.37 1i2m n GLU 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1i2m n MET 110 N -2.20 0.37 -4.13 3.44 2.81 -0.11 -1.45 117.12 115.85 1i2m n MET 110 Ca 0.05 -0.10 -0.12 0.00 -1.81 0.00 0.00 57.70 55.73 1i2m n MET 110 Cb 0.43 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.34 1i2m n MET 110 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1i2m s VAL 111 N -2.69 0.64 0.26 2.03 -7.23 -1.24 -0.83 120.40 111.34 1i2m s VAL 111 Ca 0.23 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1i2m s VAL 111 Cb 0.19 -1.28 -0.13 0.00 0.56 0.00 0.00 36.38 35.73 1i2m s VAL 111 CO 0.52 -0.69 1.35 -2.65 -0.31 0.00 0.00 175.10 173.32 1i2m n PRO 112 N 0.53 1.99 -4.12 4.82 -0.02 -1.26 -4.65 135.00 132.29 1i2m n PRO 112 Ca -0.16 0.70 -0.15 0.00 -2.02 0.00 0.00 63.50 61.88 1i2m n PRO 112 Cb 0.58 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 1i2m n PRO 112 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1i2m s GLY 113 N 0.12 0.36 0.23 -1.23 0.00 -0.59 -4.91 107.32 101.30 1i2m s GLY 113 Ca 0.65 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.62 1i2m s GLY 113 CO 0.53 -0.46 0.98 1.25 0.00 0.00 0.00 173.10 175.40 1i2m s LYS 114 N -0.74 4.79 -0.25 2.90 2.20 -1.26 -1.04 119.74 126.34 1i2m s LYS 114 Ca -0.03 1.55 -0.16 0.00 -0.36 0.00 0.00 55.97 56.97 1i2m s LYS 114 Cb -0.05 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1i2m s LYS 114 CO 0.00 0.41 0.40 0.08 -0.36 0.00 0.00 175.35 175.89 1i2m s VAL 115 N -1.00 5.17 -0.48 4.02 1.01 0.05 -4.87 120.40 124.29 1i2m s VAL 115 Ca 0.43 0.66 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 1i2m s VAL 115 Cb -0.27 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1i2m s VAL 115 CO 0.33 0.18 1.82 -0.70 0.00 0.00 0.00 175.10 176.73 1i2m s GLU 116 N 1.87 2.95 -0.25 2.72 2.12 -1.26 -4.57 118.70 122.27 1i2m s GLU 116 Ca 0.17 0.97 -0.02 0.00 0.36 0.00 0.00 54.97 56.46 1i2m s GLU 116 Cb -0.15 -4.30 0.13 0.00 0.26 0.00 0.00 34.13 30.08 1i2m s GLU 116 CO 0.09 -2.33 0.35 -1.17 -0.54 0.00 0.00 175.26 171.66 1i2m s LEU 117 N 8.08 -0.53 -0.59 2.70 2.96 -1.26 -4.78 118.68 125.25 1i2m s LEU 117 Ca 0.73 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 54.46 1i2m s LEU 117 Cb -0.17 0.92 -0.15 0.00 0.50 0.00 0.00 46.19 47.30 1i2m s LEU 117 CO 0.27 -0.33 2.80 0.00 -1.32 0.00 0.00 176.35 177.77 1i2m n GLN 118 N 5.35 2.21 -3.91 1.98 1.13 -1.26 -4.79 117.38 118.09 1i2m n GLN 118 Ca -0.03 -1.28 -0.10 0.00 -1.94 0.00 0.00 57.00 53.65 1i2m n GLN 118 Cb 0.49 -2.23 -0.10 0.00 0.11 0.00 0.00 30.24 28.51 1i2m n GLN 118 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1i2m s GLU 119 N 2.02 0.43 -0.52 -1.09 0.41 -1.26 -5.10 118.70 113.58 1i2m s GLU 119 Ca 0.54 -0.47 -0.24 0.00 -0.41 0.00 0.00 54.97 54.39 1i2m s GLU 119 Cb 0.20 0.17 0.04 0.00 -1.78 0.00 0.00 34.13 32.76 1i2m s GLU 119 CO -0.02 -0.09 0.90 0.21 -0.49 0.00 0.00 175.26 175.77 1i2m s LYS 120 N -1.41 3.36 0.11 1.61 2.20 -1.26 -4.77 119.74 119.58 1i2m s LYS 120 Ca -0.15 -0.22 -0.24 0.00 -0.36 0.00 0.00 55.97 55.00 1i2m s LYS 120 Cb -0.08 -4.02 -0.07 0.00 -1.51 0.00 0.00 37.83 32.14 1i2m s LYS 120 CO 0.01 -1.39 0.75 0.08 -0.36 0.00 0.00 175.35 174.44 1i2m s VAL 121 N 3.76 4.53 -0.14 4.02 1.01 -0.75 -1.18 120.40 131.65 1i2m s VAL 121 Ca 0.30 1.62 0.07 0.00 0.00 0.00 0.00 61.98 63.97 1i2m s VAL 121 Cb -0.12 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 1i2m s VAL 121 CO 0.20 0.48 0.20 1.33 0.00 0.00 0.00 175.10 177.31 1i2m n VAL 122 N 2.01 0.00 -3.59 2.92 0.24 0.10 -4.26 118.33 115.75 1i2m n VAL 122 Ca -0.05 -0.24 -0.16 0.00 -2.04 0.00 0.00 64.34 61.85 1i2m n VAL 122 Cb 0.49 0.64 -0.07 0.00 -1.47 0.00 0.00 33.84 33.43 1i2m n VAL 122 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1i2m s GLN 123 N -2.08 0.92 0.13 7.34 0.74 -1.20 -4.44 119.66 121.06 1i2m s GLN 123 Ca -0.00 0.48 0.04 0.00 0.05 0.00 0.00 55.36 55.93 1i2m s GLN 123 Cb 0.05 0.44 -0.04 0.00 1.10 0.00 0.00 33.01 34.55 1i2m s GLN 123 CO 0.27 -0.23 -0.10 0.14 -0.55 0.00 0.00 175.29 174.83 1i2m s VAL 124 N -0.61 1.07 0.00 1.34 -7.23 -1.26 -0.52 120.40 113.19 1i2m s VAL 124 Ca -0.07 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.07 1i2m s VAL 124 Cb -0.02 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.23 1i2m s VAL 124 CO 0.06 -0.70 0.20 -0.94 -0.31 0.00 0.00 175.10 173.41 1i2m s SER 125 N -2.95 -0.04 -0.03 4.85 1.04 -0.36 -4.97 113.70 111.25 1i2m s SER 125 Ca 0.13 -0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 1i2m s SER 125 Cb 0.01 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1i2m s SER 125 CO -0.00 -0.43 0.07 0.00 0.98 0.00 0.00 173.24 173.85 1i2m s ALA 126 N -1.60 -0.14 0.00 5.32 0.00 -1.26 -0.56 121.76 123.53 1i2m s ALA 126 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1i2m s ALA 126 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1i2m s ALA 126 CO 0.01 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1i2m n GLY 127 N 3.29 4.02 0.20 0.00 0.00 -0.12 -4.53 105.19 108.05 1i2m n GLY 127 Ca -0.15 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 1i2m n GLY 127 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i2m h ASP 128 N 0.00 0.87 0.00 1.61 3.32 -0.95 -1.59 116.42 119.68 1i2m h ASP 128 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1i2m h ASP 128 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1i2m h ASP 128 CO 0.00 1.46 0.00 -1.20 -1.72 0.00 0.00 179.24 177.78 1i2m n SER 129 N -3.86 0.70 -4.28 6.45 7.64 -1.26 -4.46 113.62 114.54 1i2m n SER 129 Ca -0.09 -1.28 -0.15 0.00 1.01 0.00 0.00 58.87 58.35 1i2m n SER 129 Cb 0.84 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.94 1i2m n SER 129 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1i2m s HIS 130 N -0.28 1.38 -0.01 1.43 -3.43 -1.21 -0.85 115.29 112.32 1i2m s HIS 130 Ca 0.00 -0.90 -0.01 0.00 -0.80 0.00 0.00 55.06 53.34 1i2m s HIS 130 Cb 0.00 -0.77 0.00 0.00 -1.43 0.00 0.00 32.58 30.38 1i2m s HIS 130 CO 0.00 -0.05 0.04 0.99 -2.00 0.00 0.00 174.74 173.72 1i2m s THR 131 N -3.46 0.00 0.05 -5.38 2.01 -0.75 -0.94 115.64 107.17 1i2m s THR 131 Ca 0.24 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.30 1i2m s THR 131 Cb 0.05 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.46 1i2m s THR 131 CO 0.05 -0.01 -0.23 0.00 -0.69 0.00 0.00 174.62 173.74 1i2m s ALA 132 N -0.01 1.95 -0.04 7.40 0.00 0.28 -1.80 121.76 129.54 1i2m s ALA 132 Ca -0.00 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1i2m s ALA 132 Cb -0.00 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1i2m s ALA 132 CO 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 175.76 176.12 1i2m s ALA 133 N -0.83 0.85 -0.19 0.00 0.00 0.10 -1.22 121.76 120.48 1i2m s ALA 133 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 1i2m s ALA 133 Cb -0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1i2m s ALA 133 CO 0.02 0.10 -0.01 -1.17 0.00 0.00 0.00 175.76 174.70 1i2m s LEU 134 N 0.44 3.28 0.58 0.00 2.96 0.32 -0.15 118.68 126.10 1i2m s LEU 134 Ca -0.07 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.58 1i2m s LEU 134 Cb -0.11 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1i2m s LEU 134 CO 0.01 0.10 0.96 0.42 -1.32 0.00 0.00 176.35 176.52 1i2m s THR 135 N 0.77 4.76 0.66 3.68 -4.23 0.25 -0.72 115.64 120.81 1i2m s THR 135 Ca -0.00 0.71 0.40 0.00 -1.18 0.00 0.00 61.69 61.62 1i2m s THR 135 Cb -0.14 -3.86 0.41 0.00 1.34 0.00 0.00 72.50 70.24 1i2m s THR 135 CO 0.02 -1.05 2.25 -2.24 -0.54 0.00 0.00 174.62 173.06 1i2m h ASP 136 N -0.12 0.00 -0.62 3.99 3.04 -1.48 -0.95 116.42 120.28 1i2m h ASP 136 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1i2m h ASP 136 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 1i2m h ASP 136 CO 0.62 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.92 1i2m n ASP 137 N -3.09 3.92 0.00 4.15 5.75 -1.26 -0.79 116.55 125.24 1i2m n ASP 137 Ca -0.03 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1i2m n ASP 137 Cb 0.16 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1i2m n ASP 137 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i2m n GLY 138 N 1.22 0.83 3.85 6.12 0.00 -0.36 -4.76 105.19 112.08 1i2m n GLY 138 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1i2m n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i2m s ARG 139 N -0.77 3.92 -0.18 1.61 0.52 -1.26 -1.15 118.95 121.64 1i2m s ARG 139 Ca 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 55.73 55.58 1i2m s ARG 139 Cb 0.00 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1i2m s ARG 139 CO 0.00 0.55 -0.03 0.08 0.02 0.00 0.00 175.30 175.93 1i2m s VAL 140 N -1.35 3.82 -0.00 3.52 1.01 -1.26 -0.58 120.40 125.56 1i2m s VAL 140 Ca 0.33 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1i2m s VAL 140 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1i2m s VAL 140 CO 0.18 0.46 -0.05 -0.36 0.00 0.00 0.00 175.10 175.32 1i2m s PHE 141 N 0.75 2.93 0.04 5.22 0.40 0.78 -0.06 117.98 128.05 1i2m s PHE 141 Ca -0.01 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1i2m s PHE 141 Cb -0.14 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 1i2m s PHE 141 CO 0.02 0.39 -0.04 -1.17 0.70 0.00 0.00 175.22 175.12 1i2m s LEU 142 N -1.40 2.34 0.15 -0.37 2.96 0.10 0.02 118.68 122.47 1i2m s LEU 142 Ca 0.17 -0.69 -0.18 0.00 -0.22 0.00 0.00 54.13 53.21 1i2m s LEU 142 Cb -0.11 0.09 0.04 0.00 0.50 0.00 0.00 46.19 46.70 1i2m s LEU 142 CO 0.08 -0.39 0.47 -1.66 -1.32 0.00 0.00 176.35 173.52 1i2m s TRP 143 N -2.35 -0.25 0.00 5.38 -2.14 -0.75 -0.74 118.94 118.10 1i2m s TRP 143 Ca -0.06 -0.05 0.00 0.00 2.66 0.00 0.00 56.10 58.64 1i2m s TRP 143 Cb -0.03 0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.68 1i2m s TRP 143 CO -0.04 -0.78 0.00 0.41 -2.66 0.00 0.00 176.95 173.88 1i2m n GLY 144 N -0.28 1.07 3.69 3.67 0.00 0.18 -1.81 105.19 111.71 1i2m n GLY 144 Ca -0.15 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 1i2m n GLY 144 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i2m s SER 145 N -4.00 -0.28 0.17 1.61 0.15 -0.03 -1.36 113.70 109.95 1i2m s SER 145 Ca 0.00 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.38 1i2m s SER 145 Cb 0.00 0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1i2m s SER 145 CO 0.00 -0.98 0.04 -0.36 1.20 0.00 0.00 173.24 173.14 1i2m s PHE 146 N -3.48 2.94 0.08 3.44 0.40 0.10 -3.30 117.98 118.16 1i2m s PHE 146 Ca 0.09 -0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 1i2m s PHE 146 Cb -0.02 -1.43 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1i2m s PHE 146 CO -0.01 0.52 -0.13 1.03 0.70 0.00 0.00 175.22 177.33 1i2m s ARG 147 N -2.95 0.80 0.00 0.44 0.52 -1.26 -1.54 118.95 114.96 1i2m s ARG 147 Ca 0.28 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1i2m s ARG 147 Cb -0.10 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.66 1i2m s ARG 147 CO 0.20 0.15 0.00 -0.40 0.02 0.00 0.00 175.30 175.27 1i2m n ASP 148 N 1.11 1.65 0.00 0.23 5.75 0.04 -4.69 116.55 120.65 1i2m n ASP 148 Ca -0.20 -0.81 0.04 0.00 -0.01 0.00 0.00 54.79 53.81 1i2m n ASP 148 Cb 0.55 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.87 1i2m n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1i2m n ASN 149 N -1.09 0.00 0.00 -1.12 5.15 -1.26 -2.02 115.26 114.92 1i2m n ASN 149 Ca 0.00 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 1i2m n ASN 149 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1i2m n ASN 149 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1i2m n ASN 150 N -0.82 1.21 0.00 1.20 3.02 -1.26 -5.13 115.26 113.48 1i2m n ASN 150 Ca 0.06 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1i2m n ASN 150 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1i2m n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i2m n GLY 151 N -0.18 0.07 3.76 7.41 0.00 -0.85 -5.03 105.19 110.36 1i2m n GLY 151 Ca 0.00 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1i2m n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i2m s VAL 152 N 0.00 2.10 0.00 1.61 1.01 -1.26 -0.78 120.40 123.09 1i2m s VAL 152 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1i2m s VAL 152 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1i2m s VAL 152 CO 0.00 0.02 0.25 2.30 0.00 0.00 0.00 175.10 177.67 1i2m n ILE 153 N 1.35 0.00 0.00 2.22 -5.35 -0.59 -4.85 119.36 112.14 1i2m n ILE 153 Ca 0.05 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1i2m n ILE 153 Cb 0.38 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1i2m n ILE 153 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i2m n GLY 154 N 0.43 -1.70 0.25 3.28 0.00 -1.23 -0.38 105.19 105.84 1i2m n GLY 154 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1i2m n GLY 154 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i2m n LEU 155 N 0.00 0.00 -0.00 0.99 7.94 -0.34 -0.72 117.00 124.87 1i2m n LEU 155 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 1i2m n LEU 155 Cb 0.00 -0.04 -0.09 0.00 0.53 0.00 0.00 43.42 43.82 1i2m n LEU 155 CO 0.00 -0.16 -0.33 0.18 -1.11 0.00 0.00 177.39 175.97 1i2m n LEU 156 N -1.55 0.36 -3.98 -1.96 4.77 -1.26 -4.83 117.00 108.55 1i2m n LEU 156 Ca 0.00 -0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 55.54 1i2m n LEU 156 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1i2m n LEU 156 CO 0.00 0.09 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.13 1i2m s GLU 157 N -2.64 0.56 -0.23 3.23 2.02 -1.26 -4.70 118.70 115.69 1i2m s GLU 157 Ca 0.00 -0.23 -0.42 0.00 0.02 0.00 0.00 54.97 54.34 1i2m s GLU 157 Cb 0.10 -0.55 -0.19 0.00 0.10 0.00 0.00 34.13 33.60 1i2m s GLU 157 CO 0.59 0.13 1.45 -2.30 0.02 0.00 0.00 175.26 175.15 1i2m n PRO 158 N 2.98 0.42 -1.18 0.39 -0.02 -1.26 -0.69 135.00 135.64 1i2m n PRO 158 Ca -0.14 0.15 -0.07 0.00 -2.02 0.00 0.00 63.50 61.42 1i2m n PRO 158 Cb 0.57 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 1i2m n PRO 158 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1i2m n MET 159 N 3.41 -1.78 -3.84 -0.52 2.81 0.49 -4.88 117.12 112.80 1i2m n MET 159 Ca 0.25 0.73 -0.36 0.00 -1.81 0.00 0.00 57.70 56.52 1i2m n MET 159 Cb 0.05 -5.10 -0.13 0.00 -0.71 0.00 0.00 33.22 27.34 1i2m n MET 159 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1i2m s LYS 160 N -2.55 2.35 0.52 0.03 2.20 0.13 -4.71 119.74 117.71 1i2m s LYS 160 Ca 0.00 -1.40 -0.00 0.00 -0.36 0.00 0.00 55.97 54.21 1i2m s LYS 160 Cb 0.00 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1i2m s LYS 160 CO 0.00 -0.75 0.75 -1.59 -0.36 0.00 0.00 175.35 173.40 1i2m s LYS 161 N 1.25 2.77 -0.06 4.03 -2.85 -1.26 -1.19 119.74 122.42 1i2m s LYS 161 Ca -0.01 -0.58 0.01 0.00 -1.00 0.00 0.00 55.97 54.39 1i2m s LYS 161 Cb -0.20 -2.49 0.02 0.00 -2.06 0.00 0.00 37.83 33.10 1i2m s LYS 161 CO -0.01 -0.55 -0.06 0.45 0.10 0.00 0.00 175.35 175.27 1i2m s SER 162 N -4.33 1.41 0.15 0.03 0.15 -0.47 -4.92 113.70 105.72 1i2m s SER 162 Ca 0.53 -0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.25 1i2m s SER 162 Cb -0.10 -0.60 0.68 0.00 -1.71 0.00 0.00 66.02 64.29 1i2m s SER 162 CO 0.39 -0.06 1.62 0.23 1.20 0.00 0.00 173.24 176.62 1i2m n MET 163 N 4.26 0.23 -4.33 5.44 0.00 -1.26 0.47 117.12 121.92 1i2m n MET 163 Ca -0.20 0.14 -0.20 0.00 0.00 0.00 0.00 57.70 57.43 1i2m n MET 163 Cb 0.51 -1.72 -0.11 0.00 0.00 0.00 0.00 33.22 31.90 1i2m n MET 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1i2m s VAL 164 N -3.11 1.76 0.18 2.03 -7.23 -1.26 -3.47 120.40 109.30 1i2m s VAL 164 Ca 0.10 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 57.94 1i2m s VAL 164 Cb 0.14 -1.88 -0.14 0.00 0.56 0.00 0.00 36.38 35.06 1i2m s VAL 164 CO 0.64 -0.41 1.50 -2.65 -0.31 0.00 0.00 175.10 173.86 1i2m n PRO 165 N 0.10 2.02 -4.39 4.82 -0.02 -1.26 -4.65 135.00 131.61 1i2m n PRO 165 Ca -0.12 0.73 -0.20 0.00 -2.02 0.00 0.00 63.50 61.88 1i2m n PRO 165 Cb 0.58 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 1i2m n PRO 165 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1i2m s VAL 166 N 0.55 0.79 0.22 -1.45 -7.23 0.08 -4.91 120.40 108.45 1i2m s VAL 166 Ca 0.76 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 1i2m s VAL 166 Cb -0.69 -0.70 -0.08 0.00 0.56 0.00 0.00 36.38 35.46 1i2m s VAL 166 CO 0.43 0.25 1.07 -1.58 -0.31 0.00 0.00 175.10 174.95 1i2m s GLN 167 N 0.19 4.65 -0.19 4.82 0.74 -1.26 -0.72 119.66 127.88 1i2m s GLN 167 Ca -0.03 1.70 -0.26 0.00 0.05 0.00 0.00 55.36 56.83 1i2m s GLN 167 Cb -0.08 -3.25 -0.01 0.00 1.10 0.00 0.00 33.01 30.76 1i2m s GLN 167 CO 0.00 0.19 0.85 0.08 -0.55 0.00 0.00 175.29 175.87 1i2m s VAL 168 N -0.66 4.85 -0.61 1.34 1.01 0.92 -4.94 120.40 122.31 1i2m s VAL 168 Ca 0.46 1.66 -0.27 0.00 0.00 0.00 0.00 61.98 63.83 1i2m s VAL 168 Cb -0.29 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1i2m s VAL 168 CO 0.36 -0.02 1.54 -1.10 0.00 0.00 0.00 175.10 175.88 1i2m s GLN 169 N 2.43 3.06 -0.02 2.72 -1.52 -1.26 -4.58 119.66 120.50 1i2m s GLN 169 Ca 0.38 0.37 0.02 0.00 -1.95 0.00 0.00 55.36 54.18 1i2m s GLN 169 Cb -0.16 -4.22 0.00 0.00 -0.22 0.00 0.00 33.01 28.41 1i2m s GLN 169 CO 0.11 -2.23 -0.06 -0.51 -0.25 0.00 0.00 175.29 172.34 1i2m s LEU 170 N 6.95 1.82 -0.06 2.90 1.43 -1.26 -4.95 118.68 125.52 1i2m s LEU 170 Ca 0.54 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.61 1i2m s LEU 170 Cb -0.11 -0.37 0.37 0.00 0.03 0.00 0.00 46.19 46.11 1i2m s LEU 170 CO 0.21 0.04 1.19 -0.90 0.23 0.00 0.00 176.35 177.12 1i2m n ASP 171 N 3.22 2.69 -3.99 2.29 5.75 -1.26 -4.86 116.55 120.39 1i2m n ASP 171 Ca -0.17 -2.24 -0.11 0.00 -0.01 0.00 0.00 54.79 52.26 1i2m n ASP 171 Cb 0.56 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 40.10 1i2m n ASP 171 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1i2m s VAL 172 N -1.70 0.25 0.35 2.12 -7.23 -1.26 -5.14 120.40 107.79 1i2m s VAL 172 Ca 0.26 -0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 59.36 1i2m s VAL 172 Cb 0.17 -0.34 -0.09 0.00 0.56 0.00 0.00 36.38 36.67 1i2m s VAL 172 CO 0.12 -0.35 1.24 -2.84 -0.31 0.00 0.00 175.10 172.96 1i2m s PRO 173 N -1.20 4.28 -0.10 4.82 0.02 -1.26 -4.94 135.00 136.63 1i2m s PRO 173 Ca -0.11 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 62.93 1i2m s PRO 173 Cb -0.08 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 1i2m s PRO 173 CO -0.00 -0.19 0.03 0.08 -0.33 0.00 0.00 177.00 176.59 1i2m s VAL 174 N -1.23 4.57 -0.22 3.83 1.01 -0.30 -1.60 120.40 126.47 1i2m s VAL 174 Ca 0.51 -0.14 0.12 0.00 0.00 0.00 0.00 61.98 62.47 1i2m s VAL 174 Cb -0.36 -2.95 -0.17 0.00 0.00 0.00 0.00 36.38 32.90 1i2m s VAL 174 CO 0.47 0.60 0.36 1.33 0.00 0.00 0.00 175.10 177.86 1i2m n VAL 175 N 2.20 0.00 -3.69 2.92 0.24 0.12 -4.26 118.33 115.86 1i2m n VAL 175 Ca -0.19 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.72 1i2m n VAL 175 Cb 0.54 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 1i2m n VAL 175 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1i2m s LYS 176 N -2.58 0.62 0.00 7.34 2.20 -1.09 -4.57 119.74 121.67 1i2m s LYS 176 Ca -0.01 0.75 0.08 0.00 -0.36 0.00 0.00 55.97 56.43 1i2m s LYS 176 Cb 0.08 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1i2m s LYS 176 CO 0.50 -0.08 -0.26 0.14 -0.36 0.00 0.00 175.35 175.30 1i2m s VAL 177 N 0.30 2.03 -0.02 4.02 -7.23 -1.26 -0.56 120.40 117.69 1i2m s VAL 177 Ca -0.00 -1.18 -0.02 0.00 -1.81 0.00 0.00 61.98 58.97 1i2m s VAL 177 Cb -0.04 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.20 1i2m s VAL 177 CO 0.00 0.50 0.05 0.00 -0.31 0.00 0.00 175.10 175.34 1i2m s ALA 178 N -0.66 -0.12 0.02 1.32 0.00 -0.10 -4.77 121.76 117.44 1i2m s ALA 178 Ca 0.10 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.20 1i2m s ALA 178 Cb -0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1i2m s ALA 178 CO 0.00 -0.05 -0.20 -1.12 0.00 0.00 0.00 175.76 174.40 1i2m s SER 179 N -0.16 2.32 0.00 0.00 0.01 -1.26 -0.32 113.70 114.28 1i2m s SER 179 Ca -0.02 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1i2m s SER 179 Cb -0.02 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1i2m s SER 179 CO 0.00 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1i2m n GLY 180 N 2.20 2.69 0.19 3.44 0.00 -0.23 -4.67 105.19 108.81 1i2m n GLY 180 Ca -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 43.67 1i2m n GLY 180 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1i2m h ASN 181 N 0.00 0.26 -0.09 1.61 4.21 -1.31 -3.35 115.58 116.92 1i2m h ASN 181 Ca 0.00 0.04 -0.18 0.00 1.21 0.00 0.00 56.30 57.37 1i2m h ASN 181 Cb 0.00 -0.00 -0.35 0.00 -1.12 0.00 0.00 38.32 36.84 1i2m h ASN 181 CO 0.00 0.19 -0.99 0.47 -1.29 0.00 0.00 177.43 175.80 1i2m n ASP 182 N -4.95 1.25 -3.88 5.81 8.00 -1.26 -0.47 116.55 121.05 1i2m n ASP 182 Ca 0.04 -2.23 -0.11 0.00 0.71 0.00 0.00 54.79 53.20 1i2m n ASP 182 Cb 0.15 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 1i2m n ASP 182 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1i2m s HIS 183 N -1.02 0.08 -0.03 1.24 -3.43 -1.25 -0.27 115.29 110.61 1i2m s HIS 183 Ca 0.34 -0.25 0.07 0.00 -0.80 0.00 0.00 55.06 54.42 1i2m s HIS 183 Cb 0.38 -0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.44 1i2m s HIS 183 CO -0.13 -0.33 -0.25 -1.17 -2.00 0.00 0.00 174.74 170.86 1i2m s LEU 184 N -1.68 2.05 -0.08 5.38 2.96 0.22 -1.07 118.68 126.46 1i2m s LEU 184 Ca -0.11 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.37 1i2m s LEU 184 Cb -0.05 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 1i2m s LEU 184 CO -0.01 0.28 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.38 1i2m s VAL 185 N -0.41 1.97 -0.09 1.68 1.01 0.56 -2.05 120.40 123.07 1i2m s VAL 185 Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1i2m s VAL 185 Cb -0.11 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1i2m s VAL 185 CO 0.01 0.54 -0.18 -0.04 0.00 0.00 0.00 175.10 175.43 1i2m s MET 186 N 0.20 2.38 -0.25 2.72 1.00 0.39 -0.93 119.30 124.81 1i2m s MET 186 Ca -0.13 -0.64 -0.10 0.00 0.00 0.00 0.00 55.69 54.81 1i2m s MET 186 Cb -0.16 -1.88 -0.04 0.00 0.00 0.00 0.00 34.83 32.74 1i2m s MET 186 CO 0.07 0.08 0.15 -1.17 0.00 0.00 0.00 175.02 174.14 1i2m s LEU 187 N 0.57 3.91 0.60 -0.03 2.96 0.28 -0.94 118.68 126.03 1i2m s LEU 187 Ca -0.15 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1i2m s LEU 187 Cb -0.17 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.48 1i2m s LEU 187 CO 0.05 0.00 0.90 0.42 -1.32 0.00 0.00 176.35 176.41 1i2m s THR 188 N 1.43 3.40 0.10 3.68 -4.23 -0.35 0.11 115.64 119.77 1i2m s THR 188 Ca 0.07 -0.09 0.32 0.00 -1.18 0.00 0.00 61.69 60.81 1i2m s THR 188 Cb -0.15 -3.36 0.34 0.00 1.34 0.00 0.00 72.50 70.67 1i2m s THR 188 CO 0.07 -0.36 1.98 0.00 -0.54 0.00 0.00 174.62 175.77 1i2m h ALA 189 N -0.21 1.00 -0.01 3.99 0.00 -1.62 -1.23 119.26 121.18 1i2m h ALA 189 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1i2m h ALA 189 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1i2m h ALA 189 CO 0.60 0.00 -0.13 -0.25 0.00 0.00 0.00 179.25 179.47 1i2m n ASP 190 N -2.73 1.24 0.00 0.00 8.00 -1.26 -4.93 116.55 116.87 1i2m n ASP 190 Ca -0.01 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1i2m n ASP 190 Cb 0.15 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1i2m n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i2m n GLY 191 N 1.26 0.78 3.90 0.44 0.00 -0.46 -4.82 105.19 106.28 1i2m n GLY 191 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1i2m n GLY 191 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i2m s ASP 192 N -2.08 6.43 -0.22 1.61 1.01 -1.26 0.79 116.67 122.96 1i2m s ASP 192 Ca 0.00 0.91 -0.01 0.00 0.71 0.00 0.00 52.55 54.16 1i2m s ASP 192 Cb 0.00 -2.23 0.02 0.00 1.01 0.00 0.00 42.92 41.72 1i2m s ASP 192 CO 0.00 -0.36 -0.11 -0.22 0.21 0.00 0.00 175.17 174.68 1i2m s LEU 193 N -3.96 2.75 -0.10 1.23 2.96 -1.26 -1.21 118.68 119.09 1i2m s LEU 193 Ca 0.47 -0.74 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1i2m s LEU 193 Cb -0.10 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1i2m s LEU 193 CO 0.34 -0.06 0.03 -0.31 -1.32 0.00 0.00 176.35 175.02 1i2m s TYR 194 N 1.32 3.23 0.07 5.38 1.51 -0.12 0.40 117.35 129.14 1i2m s TYR 194 Ca 0.02 0.20 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 1i2m s TYR 194 Cb -0.15 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1i2m s TYR 194 CO -0.08 0.45 -0.09 0.95 -1.11 0.00 0.00 175.55 175.67 1i2m s THR 195 N -0.70 0.74 0.08 -0.71 -4.23 -0.46 -0.46 115.64 109.89 1i2m s THR 195 Ca 0.11 -1.36 -0.24 0.00 -1.18 0.00 0.00 61.69 59.03 1i2m s THR 195 Cb -0.12 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.79 1i2m s THR 195 CO 0.02 -0.47 0.57 -1.48 -0.54 0.00 0.00 174.62 172.72 1i2m s LEU 196 N -2.01 -0.33 0.00 4.79 2.34 -0.87 -2.90 118.68 119.70 1i2m s LEU 196 Ca -0.02 0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.32 1i2m s LEU 196 Cb -0.06 2.36 0.00 0.00 -0.56 0.00 0.00 46.19 47.93 1i2m s LEU 196 CO -0.00 -0.82 0.00 0.61 -1.06 0.00 0.00 176.35 175.08 1i2m n GLY 197 N 0.11 0.43 3.77 -3.48 0.00 -0.48 -0.61 105.19 104.93 1i2m n GLY 197 Ca -0.18 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 1i2m n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2m n GLY 199 N 0.80 1.07 0.34 0.00 0.00 -1.26 -4.50 105.19 101.64 1i2m n GLY 199 Ca 0.02 -0.27 0.22 0.00 0.00 0.00 0.00 46.02 45.99 1i2m n GLY 199 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i2m h GLU 200 N 0.00 0.00 -0.11 1.61 5.08 -1.93 0.14 114.58 119.37 1i2m h GLU 200 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i2m h GLU 200 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1i2m h GLU 200 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1i2m n GLN 201 N -3.12 1.47 -0.60 2.33 3.00 -1.26 -4.96 117.38 114.24 1i2m n GLN 201 Ca -0.03 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.38 1i2m n GLN 201 Cb 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.03 1i2m n GLN 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i2m n GLY 202 N 0.87 0.71 0.00 1.08 0.00 0.04 -2.74 105.19 105.15 1i2m n GLY 202 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1i2m n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2m n GLN 203 N -2.54 0.00 0.12 1.61 0.00 -1.26 -1.48 117.38 113.83 1i2m n GLN 203 Ca 0.00 0.36 0.12 0.00 0.00 0.00 0.00 57.00 57.48 1i2m n GLN 203 Cb 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 28.77 1i2m n GLN 203 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1i2m h LEU 204 N 0.00 0.00 2.16 2.61 3.38 -1.85 -3.43 115.31 118.19 1i2m h LEU 204 Ca 0.00 -0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.55 1i2m h LEU 204 Cb 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1i2m h LEU 204 CO 0.00 0.00 -0.47 0.61 0.09 0.00 0.00 178.44 178.67 1i2m n GLY 205 N 1.17 0.47 0.05 0.83 0.00 -0.55 -4.78 105.19 102.39 1i2m n GLY 205 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1i2m n GLY 205 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i2m n ARG 206 N -2.75 0.00 -4.29 1.61 1.85 -1.23 -4.39 116.66 107.47 1i2m n ARG 206 Ca -0.23 -0.21 -0.25 0.00 -1.00 0.00 0.00 57.85 56.16 1i2m n ARG 206 Cb 0.68 -0.19 -0.17 0.00 -1.05 0.00 0.00 32.46 31.73 1i2m n ARG 206 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1i2m s VAL 207 N 0.00 1.03 0.42 8.89 1.01 -1.26 -5.09 120.40 125.40 1i2m s VAL 207 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 1i2m s VAL 207 Cb 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 1i2m s VAL 207 CO 0.00 0.35 1.45 -2.65 0.00 0.00 0.00 175.10 174.24 1i2m n PRO 208 N 4.26 2.39 -0.22 2.72 -0.02 -1.26 -4.70 135.00 138.17 1i2m n PRO 208 Ca -0.19 0.85 0.17 0.00 -2.02 0.00 0.00 63.50 62.30 1i2m n PRO 208 Cb 0.51 -2.63 0.49 0.00 -0.02 0.00 0.00 33.50 31.85 1i2m n PRO 208 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1i2m h GLU 209 N 2.52 0.43 0.00 -0.52 4.81 -1.95 0.18 114.58 120.05 1i2m h GLU 209 Ca -0.51 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1i2m h GLU 209 Cb 1.26 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1i2m h GLU 209 CO 0.62 0.28 -0.00 1.25 -0.73 0.00 0.00 179.01 180.43 1i2m h LEU 210 N 0.44 0.00 -0.47 1.64 5.85 -1.98 -2.56 115.31 118.23 1i2m h LEU 210 Ca 0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1i2m h LEU 210 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1i2m h LEU 210 CO -0.16 0.00 -0.27 0.49 -0.34 0.00 0.00 178.44 178.16 1i2m n PHE 211 N -4.24 0.00 0.09 1.25 3.01 0.27 -4.57 117.46 113.28 1i2m n PHE 211 Ca -0.03 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.44 1i2m n PHE 211 Cb 0.09 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.61 1i2m n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1i2m n ALA 212 N -0.60 1.15 -3.19 4.37 0.00 0.38 -0.39 120.51 122.22 1i2m n ALA 212 Ca 0.03 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 53.02 1i2m n ALA 212 Cb 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1i2m n ALA 212 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1i2m n ASN 213 N -1.46 5.60 -0.20 0.00 6.94 -1.26 -3.50 115.26 121.38 1i2m n ASN 213 Ca 0.01 -3.09 -0.03 0.00 -0.02 0.00 0.00 54.58 51.45 1i2m n ASN 213 Cb 0.03 -1.40 -0.01 0.00 -2.36 0.00 0.00 39.78 36.04 1i2m n ASN 213 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1i2m n ARG 214 N 3.00 -1.70 0.00 -3.83 1.74 -1.26 -1.53 116.66 113.10 1i2m n ARG 214 Ca 0.27 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 1i2m n ARG 214 Cb 0.39 -4.86 0.00 0.00 -1.02 0.00 0.00 32.46 26.97 1i2m n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i2m n GLY 215 N 0.35 1.70 0.00 -0.13 0.00 0.48 -3.87 105.19 103.72 1i2m n GLY 215 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1i2m n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2m n GLY 216 N -0.13 0.67 1.47 -0.02 0.00 -0.58 -4.45 105.19 102.16 1i2m n GLY 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i2m n GLY 216 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i2m n ARG 217 N 0.00 0.00 0.00 1.61 0.00 -1.26 -5.00 116.66 112.01 1i2m n ARG 217 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1i2m n ARG 217 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.02 1i2m n ARG 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1i2m n GLN 218 N -2.73 1.05 -2.10 -0.14 6.02 -1.26 -5.14 117.38 113.07 1i2m n GLN 218 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1i2m n GLN 218 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1i2m n GLN 218 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1i2m s GLY 219 N 0.00 2.81 0.00 1.08 0.00 -1.26 -4.69 107.32 105.26 1i2m s GLY 219 Ca 0.00 1.06 0.21 0.00 0.00 0.00 0.00 44.72 45.99 1i2m s GLY 219 CO 0.00 1.54 1.05 1.04 0.00 0.00 0.00 173.10 176.73 1i2m n LEU 220 N -0.68 2.06 -0.32 0.66 4.77 -1.25 -3.93 117.00 118.31 1i2m n LEU 220 Ca 0.08 -0.80 0.08 0.00 -0.03 0.00 0.00 56.01 55.35 1i2m n LEU 220 Cb 0.47 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.85 1i2m n LEU 220 CO 0.49 0.38 1.23 -0.33 -1.33 0.00 0.00 177.39 177.83 1i2m h GLU 221 N 2.58 0.87 -0.16 3.23 3.07 -1.92 -1.00 114.58 121.25 1i2m h GLU 221 Ca 0.00 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1i2m h GLU 221 Cb 0.73 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1i2m h GLU 221 CO 0.00 0.58 -0.09 -0.09 -1.40 0.00 0.00 179.01 178.01 1i2m h ARG 222 N 0.90 0.25 0.19 2.33 2.43 -1.91 -1.16 114.38 117.41 1i2m h ARG 222 Ca 0.46 -0.05 -0.26 0.00 -0.81 0.00 0.00 59.98 59.32 1i2m h ARG 222 Cb 0.52 -0.04 0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1i2m h ARG 222 CO -0.23 0.35 -1.16 -0.07 -1.51 0.00 0.00 179.97 177.35 1i2m h LEU 223 N 0.24 0.64 0.00 3.80 3.38 -1.51 -3.36 115.31 118.49 1i2m h LEU 223 Ca 0.05 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1i2m h LEU 223 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1i2m h LEU 223 CO 0.02 1.56 -0.34 0.18 0.09 0.00 0.00 178.44 179.94 1i2m n LEU 224 N -3.93 0.76 -4.65 1.67 4.77 -0.77 -1.39 117.00 113.47 1i2m n LEU 224 Ca -0.16 0.39 -0.40 0.00 -0.03 0.00 0.00 56.01 55.81 1i2m n LEU 224 Cb 0.96 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 1i2m n LEU 224 CO 0.54 -0.11 0.38 -0.69 -1.33 0.00 0.00 177.39 176.17 1i2m s VAL 225 N -3.14 5.01 -0.12 4.08 1.01 -0.45 -4.73 120.40 122.06 1i2m s VAL 225 Ca 0.08 1.17 -0.35 0.00 0.00 0.00 0.00 61.98 62.88 1i2m s VAL 225 Cb 0.13 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 1i2m s VAL 225 CO 0.66 0.08 1.85 -2.65 0.00 0.00 0.00 175.10 175.05 1i2m n PRO 226 N 5.27 1.97 -4.30 2.72 -0.02 -1.26 -4.83 135.00 134.55 1i2m n PRO 226 Ca -0.01 0.72 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 1i2m n PRO 226 Cb 0.49 -2.53 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 1i2m n PRO 226 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1i2m s LYS 227 N 3.92 0.83 0.38 -0.52 -0.14 -1.14 -4.92 119.74 118.14 1i2m s LYS 227 Ca 0.94 -0.70 -0.25 0.00 -1.36 0.00 0.00 55.97 54.60 1i2m s LYS 227 Cb -0.77 -0.80 -0.09 0.00 -1.68 0.00 0.00 37.83 34.49 1i2m s LYS 227 CO 0.54 0.20 1.05 0.00 -0.76 0.00 0.00 175.35 176.38 1i2m s VAL 229 N -1.57 4.75 -0.04 0.00 1.01 0.16 -4.93 120.40 119.78 1i2m s VAL 229 Ca 0.55 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.91 1i2m s VAL 229 Cb -0.24 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1i2m s VAL 229 CO 0.30 -0.26 -0.08 -0.04 0.00 0.00 0.00 175.10 175.02 1i2m s MET 230 N 3.06 2.63 0.00 2.72 -1.94 -1.26 -4.67 119.30 119.83 1i2m s MET 230 Ca 0.35 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 1i2m s MET 230 Cb -0.14 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.18 1i2m s MET 230 CO 0.12 0.63 0.00 1.47 -0.01 0.00 0.00 175.02 177.23 1i2m n LEU 231 N 1.99 0.00 -4.51 -0.03 -0.00 -1.26 -4.92 117.00 108.27 1i2m n LEU 231 Ca -0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.59 1i2m n LEU 231 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1i2m n LEU 231 CO 0.28 0.00 -0.45 -0.75 -0.00 0.00 0.00 177.39 176.47 1i2m s LYS 232 N -1.80 1.83 0.16 1.47 2.47 -1.26 -2.13 119.74 120.48 1i2m s LYS 232 Ca 0.00 -1.51 -0.01 0.00 -1.56 0.00 0.00 55.97 52.89 1i2m s LYS 232 Cb 0.00 -1.96 -0.04 0.00 -1.46 0.00 0.00 37.83 34.37 1i2m s LYS 232 CO 0.00 0.38 0.35 -3.38 0.16 0.00 0.00 175.35 172.87 1i2m s HIS 239 N -2.01 3.49 0.30 4.03 -3.43 -1.26 -5.18 115.29 111.23 1i2m s HIS 239 Ca 0.26 0.36 -0.29 0.00 -0.80 0.00 0.00 55.06 54.59 1i2m s HIS 239 Cb -0.07 -1.86 -0.10 0.00 -1.43 0.00 0.00 32.58 29.12 1i2m s HIS 239 CO 0.14 0.43 1.34 0.08 -2.00 0.00 0.00 174.74 174.74 1i2m s VAL 240 N -1.76 2.72 0.21 -5.38 1.01 -0.91 -5.04 120.40 111.27 1i2m s VAL 240 Ca 0.38 0.69 0.11 0.00 0.00 0.00 0.00 61.98 63.16 1i2m s VAL 240 Cb -0.12 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1i2m s VAL 240 CO 0.28 0.15 -0.19 -0.13 0.00 0.00 0.00 175.10 175.20 1i2m s ARG 241 N -1.33 1.71 0.24 2.72 0.52 -1.26 -4.90 118.95 116.65 1i2m s ARG 241 Ca 0.52 -1.52 0.12 0.00 -0.52 0.00 0.00 55.73 54.32 1i2m s ARG 241 Cb -0.40 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 1i2m s ARG 241 CO 0.50 0.39 -0.21 -0.06 0.02 0.00 0.00 175.30 175.94 1i2m s PHE 242 N -1.91 2.32 -0.33 -0.53 0.40 0.24 -1.09 117.98 117.07 1i2m s PHE 242 Ca 0.24 -0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.33 1i2m s PHE 242 Cb -0.07 -1.06 -0.11 0.00 0.51 0.00 0.00 43.02 42.29 1i2m s PHE 242 CO 0.13 0.63 0.34 0.00 0.70 0.00 0.00 175.22 177.02 1i2m n GLN 243 N -0.28 3.19 -3.48 0.44 10.64 0.17 -4.37 117.38 123.69 1i2m n GLN 243 Ca -0.08 -0.02 -0.12 0.00 -1.83 0.00 0.00 57.00 54.95 1i2m n GLN 243 Cb 0.58 -0.99 -0.03 0.00 -0.86 0.00 0.00 30.24 28.94 1i2m n GLN 243 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1i2m s ASP 244 N -2.12 -0.52 -0.03 2.61 -1.08 -1.20 -5.01 116.67 109.32 1i2m s ASP 244 Ca 0.02 0.21 -0.15 0.00 -0.52 0.00 0.00 52.55 52.11 1i2m s ASP 244 Cb 0.07 0.50 0.02 0.00 -1.46 0.00 0.00 42.92 42.06 1i2m s ASP 244 CO 0.37 -0.74 0.32 0.00 0.52 0.00 0.00 175.17 175.64 1i2m s ALA 245 N -2.73 -0.80 0.05 3.66 0.00 -1.26 -1.09 121.76 119.58 1i2m s ALA 245 Ca -0.01 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 1i2m s ALA 245 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1i2m s ALA 245 CO -0.05 -0.25 0.06 -0.06 0.00 0.00 0.00 175.76 175.46 1i2m s PHE 246 N -1.11 0.32 0.00 0.00 0.40 0.69 -4.89 117.98 113.39 1i2m s PHE 246 Ca -0.12 -0.73 0.06 0.00 -0.60 0.00 0.00 56.93 55.54 1i2m s PHE 246 Cb -0.05 -0.22 -0.02 0.00 0.51 0.00 0.00 43.02 43.24 1i2m s PHE 246 CO 0.04 -0.39 -0.18 0.00 0.70 0.00 0.00 175.22 175.39 1i2m n GLY 248 N 2.42 2.38 0.23 0.00 0.00 0.98 -4.15 105.19 107.04 1i2m n GLY 248 Ca -0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.61 1i2m n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2m h ALA 249 N 0.45 0.75 0.00 4.61 0.00 -1.47 -3.29 119.26 120.32 1i2m h ALA 249 Ca -0.22 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1i2m h ALA 249 Cb 0.92 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.46 1i2m h ALA 249 CO 0.34 -0.11 -0.79 0.66 0.00 0.00 0.00 179.25 179.35 1i2m n TYR 250 N -4.92 0.00 -3.79 0.00 4.02 -1.26 -1.16 117.16 110.06 1i2m n TYR 250 Ca 0.07 -0.77 -0.10 0.00 -0.01 0.00 0.00 57.90 57.09 1i2m n TYR 250 Cb 0.20 -0.17 -0.05 0.00 -0.02 0.00 0.00 39.34 39.31 1i2m n TYR 250 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1i2m s PHE 251 N -1.08 0.01 -0.00 -0.72 -0.12 -1.24 -1.29 117.98 113.53 1i2m s PHE 251 Ca 0.32 -0.36 0.03 0.00 -0.05 0.00 0.00 56.93 56.88 1i2m s PHE 251 Cb 0.35 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1i2m s PHE 251 CO -0.12 -0.84 -0.09 0.99 -0.05 0.00 0.00 175.22 175.11 1i2m s THR 252 N -3.89 0.73 0.03 -4.49 2.01 0.37 -0.01 115.64 110.39 1i2m s THR 252 Ca 0.10 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.74 1i2m s THR 252 Cb 0.01 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1i2m s THR 252 CO -0.03 0.17 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.48 1i2m s PHE 253 N -0.28 2.42 -0.06 4.92 0.40 0.18 -1.54 117.98 124.01 1i2m s PHE 253 Ca 0.03 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 55.96 1i2m s PHE 253 Cb -0.04 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 42.08 1i2m s PHE 253 CO -0.00 0.15 0.16 0.00 0.70 0.00 0.00 175.22 176.23 1i2m s ALA 254 N -0.82 -0.36 -0.29 5.36 0.00 0.29 -0.22 121.76 125.73 1i2m s ALA 254 Ca 0.12 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 1i2m s ALA 254 Cb -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1i2m s ALA 254 CO 0.03 -0.11 0.16 0.42 0.00 0.00 0.00 175.76 176.26 1i2m s ILE 255 N 0.47 4.96 0.95 0.00 1.01 -0.25 -0.43 121.20 127.91 1i2m s ILE 255 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1i2m s ILE 255 Cb -0.05 -3.41 0.16 0.00 0.01 0.00 0.00 42.46 39.18 1i2m s ILE 255 CO -0.02 0.21 1.10 -0.94 0.00 0.00 0.00 174.94 175.29 1i2m s SER 256 N 1.70 3.09 0.39 3.58 1.04 -0.05 -0.66 113.70 122.79 1i2m s SER 256 Ca 0.06 1.20 0.07 0.00 0.48 0.00 0.00 55.95 57.76 1i2m s SER 256 Cb -0.16 -1.86 0.81 0.00 0.10 0.00 0.00 66.02 64.91 1i2m s SER 256 CO 0.08 -2.84 2.00 0.45 0.98 0.00 0.00 173.24 173.91 1i2m h HIS 257 N -1.69 0.64 0.00 5.02 3.86 -1.40 0.74 115.15 122.31 1i2m h HIS 257 Ca -0.52 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1i2m h HIS 257 Cb 1.32 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1i2m h HIS 257 CO 0.33 0.36 0.00 0.39 0.86 0.00 0.00 177.93 179.87 1i2m n GLU 258 N -4.47 0.03 -0.26 2.45 4.71 -1.26 -4.87 120.64 116.97 1i2m n GLU 258 Ca 0.08 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1i2m n GLU 258 Cb 0.17 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 1i2m n GLU 258 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1i2m n GLY 259 N 0.52 0.63 3.77 0.62 0.00 0.25 -5.06 105.19 105.92 1i2m n GLY 259 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1i2m n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i2m s HIS 260 N -2.52 3.25 -0.25 1.61 3.76 -1.26 -4.70 115.29 115.18 1i2m s HIS 260 Ca 0.00 1.60 -0.13 0.00 -0.15 0.00 0.00 55.06 56.38 1i2m s HIS 260 Cb 0.00 -3.33 -0.04 0.00 1.11 0.00 0.00 32.58 30.32 1i2m s HIS 260 CO 0.00 -1.00 0.28 0.08 -0.85 0.00 0.00 174.74 173.25 1i2m s VAL 261 N -1.37 5.26 0.13 -0.90 1.01 -1.26 -0.87 120.40 122.40 1i2m s VAL 261 Ca 0.53 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.99 1i2m s VAL 261 Cb -0.30 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1i2m s VAL 261 CO 0.38 0.26 -0.06 -0.31 0.00 0.00 0.00 175.10 175.37 1i2m s TYR 262 N 1.51 2.79 0.07 5.22 1.51 0.43 -0.39 117.35 128.49 1i2m s TYR 262 Ca 0.12 -0.14 -0.12 0.00 -1.01 0.00 0.00 57.07 55.92 1i2m s TYR 262 Cb -0.15 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1i2m s TYR 262 CO 0.08 0.47 0.27 0.20 -1.11 0.00 0.00 175.55 175.47 1i2m s GLY 263 N -2.54 -0.06 -0.03 0.71 0.00 -0.61 -0.55 107.32 104.24 1i2m s GLY 263 Ca 0.24 -0.21 -0.27 0.00 0.00 0.00 0.00 44.72 44.48 1i2m s GLY 263 CO 0.16 -0.42 0.60 -0.11 0.00 0.00 0.00 173.10 173.33 1i2m s PHE 264 N -3.10 -0.56 0.00 1.90 -0.12 -0.59 -1.05 117.98 114.47 1i2m s PHE 264 Ca -0.01 0.91 0.00 0.00 -0.05 0.00 0.00 56.93 57.78 1i2m s PHE 264 Cb 0.01 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 1i2m s PHE 264 CO -0.07 -0.58 0.00 0.41 -0.05 0.00 0.00 175.22 174.93 1i2m n GLY 265 N 0.89 0.44 3.74 1.99 0.00 0.14 -0.47 105.19 111.91 1i2m n GLY 265 Ca -0.19 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 1i2m n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i2m s LEU 266 N 0.00 4.38 -0.08 0.99 2.96 -0.41 -1.04 118.68 125.47 1i2m s LEU 266 Ca 0.00 2.69 0.17 0.00 -0.22 0.00 0.00 54.13 56.78 1i2m s LEU 266 Cb 0.00 -3.62 0.33 0.00 0.50 0.00 0.00 46.19 43.41 1i2m s LEU 266 CO 0.00 -0.76 1.15 -0.24 -1.32 0.00 0.00 176.35 175.18 1i2m n SER 267 N 2.75 0.34 0.31 3.68 2.88 -1.26 -4.42 113.62 117.90 1i2m n SER 267 Ca 0.09 -2.03 0.20 0.00 -1.33 0.00 0.00 58.87 55.80 1i2m n SER 267 Cb 0.39 -0.08 0.97 0.00 -0.75 0.00 0.00 64.21 64.75 1i2m n SER 267 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i2m h ASN 268 N 1.04 0.00 -0.07 -3.46 -1.07 -1.88 -1.07 115.58 109.08 1i2m h ASN 268 Ca -0.32 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.03 1i2m h ASN 268 Cb 1.60 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.84 1i2m h ASN 268 CO -0.01 0.01 -0.12 -1.22 0.07 0.00 0.00 177.43 176.15 1i2m n TYR 269 N -3.11 0.23 -1.78 4.14 4.02 -1.26 -4.80 117.16 114.59 1i2m n TYR 269 Ca -0.01 -1.15 -0.15 0.00 -0.01 0.00 0.00 57.90 56.58 1i2m n TYR 269 Cb 0.18 -0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.23 1i2m n TYR 269 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1i2m n HIS 270 N -1.21 -0.29 0.27 -0.72 8.25 -0.40 -3.65 115.22 117.47 1i2m n HIS 270 Ca 0.19 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.81 1i2m n HIS 270 Cb 0.72 -2.86 0.78 0.00 1.12 0.00 0.00 29.99 29.75 1i2m n HIS 270 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1i2m h GLN 271 N 0.00 0.00 -0.36 -0.41 -0.00 -1.82 0.39 115.11 112.92 1i2m h GLN 271 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 1i2m h GLN 271 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.58 1i2m h GLN 271 CO 0.44 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.55 1i2m n LEU 272 N -2.61 2.65 -0.55 0.06 4.77 -1.26 -4.58 117.00 115.48 1i2m n LEU 272 Ca -0.01 -1.20 -0.05 0.00 -0.03 0.00 0.00 56.01 54.72 1i2m n LEU 272 Cb 0.11 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1i2m n LEU 272 CO 0.16 0.60 -0.06 0.61 -1.33 0.00 0.00 177.39 177.37 1i2m n GLY 273 N 1.33 0.35 3.81 -0.72 0.00 0.13 -4.95 105.19 105.13 1i2m n GLY 273 Ca 0.18 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1i2m n GLY 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i2m s THR 274 N -2.25 4.72 0.45 2.61 -4.23 -1.26 -4.35 115.64 111.34 1i2m s THR 274 Ca 0.00 1.23 0.13 0.00 -1.18 0.00 0.00 61.69 61.87 1i2m s THR 274 Cb 0.00 -3.90 0.20 0.00 1.34 0.00 0.00 72.50 70.14 1i2m s THR 274 CO 0.00 0.54 2.01 1.55 -0.54 0.00 0.00 174.62 178.19 1i2m h PRO 275 N 4.49 0.09 0.00 3.99 0.13 -1.96 -3.44 132.00 135.31 1i2m h PRO 275 Ca -0.49 -0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.17 1i2m h PRO 275 Cb 1.21 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1i2m h PRO 275 CO 0.64 0.20 -0.13 0.41 -0.23 0.00 0.00 178.00 178.88 1i2m n GLY 276 N -1.12 2.30 1.44 1.56 0.00 -1.26 -5.04 105.19 103.07 1i2m n GLY 276 Ca -0.02 -2.24 0.01 0.00 0.00 0.00 0.00 46.02 43.77 1i2m n GLY 276 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i2m n THR 277 N -1.90 2.62 -2.75 2.61 -2.24 -1.26 -4.56 114.28 106.80 1i2m n THR 277 Ca 0.08 -1.87 -0.42 0.00 -2.27 0.00 0.00 64.05 59.57 1i2m n THR 277 Cb 0.53 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1i2m n THR 277 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1i2m s GLU 278 N -2.95 4.55 0.49 -0.78 2.12 -1.26 -3.63 118.70 117.23 1i2m s GLU 278 Ca 0.49 1.36 -0.22 0.00 0.36 0.00 0.00 54.97 56.96 1i2m s GLU 278 Cb 0.40 -3.46 -0.07 0.00 0.26 0.00 0.00 34.13 31.26 1i2m s GLU 278 CO 0.10 -0.03 1.16 -1.12 -0.54 0.00 0.00 175.26 174.83 1i2m s SER 279 N 0.96 6.02 -0.40 -1.70 0.01 -1.26 -4.52 113.70 112.82 1i2m s SER 279 Ca 0.50 2.27 -0.09 0.00 1.31 0.00 0.00 55.95 59.95 1i2m s SER 279 Cb -0.21 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.49 1i2m s SER 279 CO 0.27 -1.02 0.22 0.00 0.41 0.00 0.00 173.24 173.13 1i2m n PHE 281 N 4.91 0.45 -5.27 0.00 3.01 -1.26 0.25 117.46 119.55 1i2m n PHE 281 Ca -0.11 0.13 -0.31 0.00 1.01 0.00 0.00 57.45 58.17 1i2m n PHE 281 Cb 0.44 -0.64 -0.16 0.00 -0.01 0.00 0.00 39.48 39.11 1i2m n PHE 281 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1i2m s ILE 282 N -3.08 2.12 0.12 4.37 1.01 -1.26 -3.47 121.20 121.01 1i2m s ILE 282 Ca 0.10 -1.07 -0.34 0.00 0.00 0.00 0.00 60.65 59.34 1i2m s ILE 282 Cb 0.15 -1.75 -0.14 0.00 0.01 0.00 0.00 42.46 40.74 1i2m s ILE 282 CO 0.64 0.58 1.62 -2.65 0.00 0.00 0.00 174.94 175.13 1i2m n PRO 283 N 2.56 2.12 -4.97 2.79 -0.02 -1.26 -4.76 135.00 131.45 1i2m n PRO 283 Ca -0.16 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1i2m n PRO 283 Cb 0.51 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 1i2m n PRO 283 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1i2m s GLN 284 N 1.39 2.74 -0.39 -0.52 -1.52 -0.21 -4.91 119.66 116.24 1i2m s GLN 284 Ca 0.81 -0.76 -0.29 0.00 -1.95 0.00 0.00 55.36 53.18 1i2m s GLN 284 Cb -0.69 -2.38 0.01 0.00 -0.22 0.00 0.00 33.01 29.73 1i2m s GLN 284 CO 0.40 0.45 1.38 1.21 -0.25 0.00 0.00 175.29 178.48 1i2m s ASN 285 N -0.28 6.42 -0.51 5.90 3.04 -1.26 -1.58 114.94 126.67 1i2m s ASN 285 Ca 0.01 0.91 -0.28 0.00 0.04 0.00 0.00 52.86 53.55 1i2m s ASN 285 Cb -0.13 -2.54 -0.00 0.00 -1.54 0.00 0.00 41.25 37.04 1i2m s ASN 285 CO 0.03 -1.35 1.59 -0.76 -3.04 0.00 0.00 177.10 173.57 1i2m s LEU 286 N 5.16 3.41 0.25 3.21 1.43 0.48 -4.89 118.68 127.74 1i2m s LEU 286 Ca 0.60 0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1i2m s LEU 286 Cb -0.14 -3.07 0.28 0.00 0.03 0.00 0.00 46.19 43.29 1i2m s LEU 286 CO 0.30 -1.84 1.90 0.74 0.23 0.00 0.00 176.35 177.69 1i2m h THR 287 N 6.59 1.19 -0.05 5.49 2.02 -1.87 -2.22 112.91 124.06 1i2m h THR 287 Ca -0.28 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 66.49 1i2m h THR 287 Cb 1.12 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1i2m h THR 287 CO 1.15 0.23 0.17 0.77 0.37 0.00 0.00 175.52 178.20 1i2m h SER 288 N 1.24 0.00 -0.72 4.18 4.64 -1.90 0.37 113.55 121.36 1i2m h SER 288 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1i2m h SER 288 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1i2m h SER 288 CO -0.11 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.34 1i2m n PHE 289 N -3.25 0.96 -2.18 4.77 3.01 -0.84 -4.65 117.46 115.29 1i2m n PHE 289 Ca -0.01 -0.49 -0.42 0.00 1.01 0.00 0.00 57.45 57.53 1i2m n PHE 289 Cb 0.24 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 1i2m n PHE 289 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1i2m s LYS 290 N -1.01 4.24 0.03 -1.08 2.20 0.13 -4.84 119.74 119.40 1i2m s LYS 290 Ca 0.48 2.00 -0.14 0.00 -0.36 0.00 0.00 55.97 57.95 1i2m s LYS 290 Cb 0.25 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1i2m s LYS 290 CO 0.33 -0.69 0.30 -0.80 -0.36 0.00 0.00 175.35 174.13 1i2m s ASN 291 N 2.38 -0.13 -0.19 1.43 -0.87 -1.26 -5.07 114.94 111.23 1i2m s ASN 291 Ca 0.66 -0.12 0.05 0.00 -1.57 0.00 0.00 52.86 51.88 1i2m s ASN 291 Cb -0.31 0.34 -0.15 0.00 -0.02 0.00 0.00 41.25 41.11 1i2m s ASN 291 CO 0.25 -0.56 -0.11 -0.24 -2.57 0.00 0.00 177.10 173.87 1i2m n SER 292 N 0.80 2.07 0.00 -1.22 2.88 -1.26 -4.53 113.62 112.35 1i2m n SER 292 Ca -0.20 -0.08 0.11 0.00 -1.33 0.00 0.00 58.87 57.37 1i2m n SER 292 Cb 0.58 0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 64.00 1i2m n SER 292 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1i2m n THR 293 N -2.95 0.03 -3.71 2.46 -2.24 -1.26 -4.96 114.28 101.65 1i2m n THR 293 Ca -0.33 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 1i2m n THR 293 Cb 0.92 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1i2m n THR 293 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1i2m s LYS 294 N -3.12 3.55 -0.07 -0.78 1.02 -1.26 -5.07 119.74 114.02 1i2m s LYS 294 Ca 0.05 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.78 1i2m s LYS 294 Cb 0.16 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1i2m s LYS 294 CO 0.84 0.45 0.00 -1.12 -0.92 0.00 0.00 175.35 174.61 1i2m s SER 295 N -2.78 1.56 -0.01 2.83 0.01 -1.26 -4.79 113.70 109.25 1i2m s SER 295 Ca 0.39 -0.08 -0.22 0.00 1.31 0.00 0.00 55.95 57.35 1i2m s SER 295 Cb -0.12 -0.43 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 1i2m s SER 295 CO 0.27 -0.19 0.66 0.26 0.41 0.00 0.00 173.24 174.65 1i2m s TRP 296 N 1.97 3.67 0.00 2.43 0.52 -1.26 -0.45 118.94 125.81 1i2m s TRP 296 Ca 0.05 1.27 0.00 0.00 0.02 0.00 0.00 56.10 57.44 1i2m s TRP 296 Cb -0.12 -2.71 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 1i2m s TRP 296 CO -0.05 0.26 0.00 1.33 0.02 0.00 0.00 176.95 178.51 1i2m n VAL 297 N 3.02 0.00 -3.68 4.03 0.24 -0.64 -4.90 118.33 116.40 1i2m n VAL 297 Ca -0.04 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.34 61.75 1i2m n VAL 297 Cb 0.51 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.74 1i2m n VAL 297 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1i2m s GLY 298 N -0.88 -0.37 0.02 7.63 0.00 -1.14 -4.99 107.32 107.59 1i2m s GLY 298 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1i2m s GLY 298 CO 0.00 1.00 -0.04 -1.36 0.00 0.00 0.00 173.10 172.71 1i2m s PHE 299 N -0.22 0.33 0.17 1.90 0.40 -1.26 -1.14 117.98 118.16 1i2m s PHE 299 Ca -0.04 -0.52 -0.18 0.00 -0.60 0.00 0.00 56.93 55.59 1i2m s PHE 299 Cb -0.03 -0.22 0.03 0.00 0.51 0.00 0.00 43.02 43.31 1i2m s PHE 299 CO 0.03 -0.17 0.50 -1.54 0.70 0.00 0.00 175.22 174.74 1i2m s SER 300 N -1.46 -0.29 -0.13 1.36 1.04 -0.27 -4.74 113.70 109.20 1i2m s SER 300 Ca -0.15 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 55.60 1i2m s SER 300 Cb -0.10 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.70 1i2m s SER 300 CO -0.01 -0.99 0.97 -0.83 0.98 0.00 0.00 173.24 173.36 1i2m s GLY 301 N -2.84 -0.31 0.00 7.32 0.00 -1.26 -1.38 107.32 108.85 1i2m s GLY 301 Ca 0.07 1.84 0.00 0.00 0.00 0.00 0.00 44.72 46.63 1i2m s GLY 301 CO -0.06 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.57 1i2m n GLY 302 N 0.60 2.03 0.14 0.20 0.00 -0.01 -3.37 105.19 104.77 1i2m n GLY 302 Ca -0.10 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 1i2m n GLY 302 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1i2m h GLN 303 N 0.00 0.37 0.00 1.61 4.20 -1.70 -2.60 115.11 116.98 1i2m h GLN 303 Ca 0.00 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1i2m h GLN 303 Cb 0.00 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1i2m h GLN 303 CO 0.00 0.93 0.00 0.72 -0.67 0.00 0.00 178.83 179.81 1i2m n HIS 304 N -4.40 0.00 -4.02 2.96 8.25 -1.26 -4.75 115.22 112.00 1i2m n HIS 304 Ca -0.08 -0.40 -0.08 0.00 -0.26 0.00 0.00 57.72 56.89 1i2m n HIS 304 Cb 0.51 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 1i2m n HIS 304 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1i2m s HIS 305 N -0.81 0.45 0.01 4.41 -3.43 -1.26 -0.85 115.29 113.82 1i2m s HIS 305 Ca 0.00 -0.93 0.04 0.00 -0.80 0.00 0.00 55.06 53.37 1i2m s HIS 305 Cb 0.00 -0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 30.86 1i2m s HIS 305 CO 0.00 -0.48 -0.12 0.99 -2.00 0.00 0.00 174.74 173.14 1i2m s THR 306 N -3.93 0.91 -0.09 -5.38 2.01 -0.29 -0.83 115.64 108.04 1i2m s THR 306 Ca 0.10 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1i2m s THR 306 Cb 0.07 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.80 1i2m s THR 306 CO -0.08 0.14 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.19 1i2m s VAL 307 N -0.48 1.18 0.29 3.82 1.01 -0.48 -1.69 120.40 124.06 1i2m s VAL 307 Ca 0.03 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1i2m s VAL 307 Cb -0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1i2m s VAL 307 CO 0.00 0.37 0.11 0.00 0.00 0.00 0.00 175.10 175.58 1i2m s MET 309 N -3.94 0.50 0.54 0.00 0.23 -0.29 -0.24 119.30 116.10 1i2m s MET 309 Ca 0.36 -0.50 0.07 0.00 -1.03 0.00 0.00 55.69 54.59 1i2m s MET 309 Cb 0.07 0.20 0.05 0.00 -1.53 0.00 0.00 34.83 33.62 1i2m s MET 309 CO 0.15 -0.12 0.55 0.16 -2.03 0.00 0.00 175.02 173.73 1i2m s ASP 310 N -1.57 4.88 0.11 -1.18 1.47 -0.50 -1.62 116.67 118.25 1i2m s ASP 310 Ca -0.13 -1.02 0.15 0.00 1.18 0.00 0.00 52.55 52.73 1i2m s ASP 310 Cb -0.06 0.24 0.66 0.00 -0.34 0.00 0.00 42.92 43.42 1i2m s ASP 310 CO -0.00 -1.14 1.46 -1.54 0.68 0.00 0.00 175.17 174.63 1i2m n SER 311 N -1.92 0.26 -0.65 2.11 3.41 0.40 -2.13 113.62 115.10 1i2m n SER 311 Ca 0.06 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 1i2m n SER 311 Cb 0.63 -0.63 0.37 0.00 -0.26 0.00 0.00 64.21 64.32 1i2m n SER 311 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i2m n GLU 312 N -1.80 1.87 -0.95 4.33 -0.58 -1.26 -4.92 120.64 117.33 1i2m n GLU 312 Ca 0.02 -1.29 0.00 0.00 -0.42 0.00 0.00 57.16 55.47 1i2m n GLU 312 Cb 0.13 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1i2m n GLU 312 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i2m n GLY 313 N 1.21 0.45 3.84 0.62 0.00 -0.90 -4.83 105.19 105.58 1i2m n GLY 313 Ca 0.17 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1i2m n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i2m s LYS 314 N -1.91 3.35 -0.03 1.61 1.02 -1.26 -0.16 119.74 122.36 1i2m s LYS 314 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1i2m s LYS 314 Cb 0.00 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 1i2m s LYS 314 CO 0.00 0.76 0.01 0.00 -0.92 0.00 0.00 175.35 175.19 1i2m s ALA 315 N -1.03 3.30 0.12 5.17 0.00 -1.26 -1.42 121.76 126.65 1i2m s ALA 315 Ca 0.16 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1i2m s ALA 315 Cb -0.12 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1i2m s ALA 315 CO 0.05 0.63 -0.10 0.71 0.00 0.00 0.00 175.76 177.05 1i2m s TYR 316 N -1.01 1.13 0.09 0.00 1.51 0.67 -1.07 117.35 118.66 1i2m s TYR 316 Ca 0.17 -0.74 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1i2m s TYR 316 Cb -0.11 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1i2m s TYR 316 CO 0.07 0.01 -0.01 -1.54 -1.11 0.00 0.00 175.55 172.98 1i2m s SER 317 N -2.84 0.63 0.11 2.29 1.04 -0.18 -0.63 113.70 114.12 1i2m s SER 317 Ca 0.11 -1.07 -0.25 0.00 0.48 0.00 0.00 55.95 55.23 1i2m s SER 317 Cb 0.01 0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.40 1i2m s SER 317 CO -0.00 -0.61 0.71 -1.48 0.98 0.00 0.00 173.24 172.84 1i2m s LEU 318 N -3.00 -0.48 0.00 2.42 2.34 -0.68 -0.52 118.68 118.77 1i2m s LEU 318 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 54.13 54.28 1i2m s LEU 318 Cb 0.07 2.41 0.00 0.00 -0.56 0.00 0.00 46.19 48.11 1i2m s LEU 318 CO -0.05 -0.88 0.00 0.61 -1.06 0.00 0.00 176.35 174.97 1i2m n GLY 319 N -0.34 -0.06 3.77 -3.48 0.00 0.47 -1.14 105.19 104.41 1i2m n GLY 319 Ca -0.13 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1i2m n GLY 319 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i2m s ARG 320 N 0.00 4.25 -0.02 1.61 3.52 -0.03 -1.61 118.95 126.67 1i2m s ARG 320 Ca 0.00 2.38 0.20 0.00 -0.13 0.00 0.00 55.73 58.17 1i2m s ARG 320 Cb 0.00 -3.03 -0.27 0.00 -1.56 0.00 0.00 34.95 30.09 1i2m s ARG 320 CO 0.00 -0.34 0.57 0.00 -0.81 0.00 0.00 175.30 174.72 1i2m n ALA 321 N 0.67 3.38 -1.56 6.12 0.00 -1.26 -4.37 120.51 123.50 1i2m n ALA 321 Ca 0.01 -0.50 -0.46 0.00 0.00 0.00 0.00 53.44 52.49 1i2m n ALA 321 Cb 0.41 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 1i2m n ALA 321 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i2m n GLU 322 N -1.92 1.10 -1.17 0.00 4.71 -1.26 -1.72 120.64 120.37 1i2m n GLU 322 Ca -0.01 0.39 -0.06 0.00 -0.01 0.00 0.00 57.16 57.47 1i2m n GLU 322 Cb 0.44 -1.72 -0.03 0.00 -1.01 0.00 0.00 31.44 29.12 1i2m n GLU 322 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1i2m n TYR 323 N 0.38 0.00 -1.14 -0.32 0.53 -1.26 -3.31 117.16 112.04 1i2m n TYR 323 Ca 0.12 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 56.95 1i2m n TYR 323 Cb 0.30 -1.89 -0.02 0.00 -1.03 0.00 0.00 39.34 36.69 1i2m n TYR 323 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1i2m n GLY 324 N -0.60 0.74 0.23 2.72 0.00 -0.70 -2.50 105.19 105.09 1i2m n GLY 324 Ca -0.06 -0.71 0.16 0.00 0.00 0.00 0.00 46.02 45.41 1i2m n GLY 324 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1i2m h ARG 325 N 0.10 0.00 0.00 1.61 0.11 -1.63 -1.45 114.38 113.11 1i2m h ARG 325 Ca -0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1i2m h ARG 325 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1i2m h ARG 325 CO 0.14 0.00 -0.44 -0.07 0.10 0.00 0.00 179.97 179.70 1i2m h LEU 326 N 0.00 0.00 1.96 0.08 3.38 -1.81 -3.40 115.31 115.52 1i2m h LEU 326 Ca 0.00 -0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.61 1i2m h LEU 326 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1i2m h LEU 326 CO 0.00 0.01 -0.40 0.61 0.09 0.00 0.00 178.44 178.75 1i2m n GLY 327 N 1.16 0.24 0.48 0.83 0.00 -0.55 -4.70 105.19 102.65 1i2m n GLY 327 Ca 0.02 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1i2m n GLY 327 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i2m n LEU 328 N -2.29 1.94 0.00 0.99 4.77 -1.10 -4.21 117.00 117.11 1i2m n LEU 328 Ca -0.19 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1i2m n LEU 328 Cb 0.63 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1i2m n LEU 328 CO 0.24 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1i2m n GLY 329 N 1.41 2.98 0.29 -0.72 0.00 -0.36 -4.81 105.19 103.99 1i2m n GLY 329 Ca 0.10 -2.02 0.18 0.00 0.00 0.00 0.00 46.02 44.27 1i2m n GLY 329 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i2m h GLU 330 N 0.00 0.00 -0.62 1.61 5.08 -1.98 -2.39 114.58 116.27 1i2m h GLU 330 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i2m h GLU 330 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i2m h GLU 330 CO 0.00 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1i2m n GLY 331 N -0.53 1.95 3.76 -3.84 0.00 -1.26 -4.96 105.19 100.32 1i2m n GLY 331 Ca -0.01 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1i2m n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2m s ALA 332 N -1.80 3.54 0.32 4.61 0.00 -0.90 -5.04 121.76 122.47 1i2m s ALA 332 Ca 0.34 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.65 1i2m s ALA 332 Cb 0.23 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1i2m s ALA 332 CO 0.16 -0.67 -0.04 -1.21 0.00 0.00 0.00 175.76 173.99 1i2m s GLU 333 N -1.27 1.68 0.19 0.00 2.02 -1.26 -4.89 118.70 115.17 1i2m s GLU 333 Ca 0.52 -1.88 -0.32 0.00 0.02 0.00 0.00 54.97 53.31 1i2m s GLU 333 Cb -0.40 -1.32 -0.15 0.00 0.10 0.00 0.00 34.13 32.35 1i2m s GLU 333 CO 0.49 0.02 1.14 -1.91 0.02 0.00 0.00 175.26 175.02 1i2m n GLU 334 N -0.70 1.19 -5.20 1.61 2.13 -1.26 -4.70 120.64 113.71 1i2m n GLU 334 Ca -0.05 0.42 -0.32 0.00 0.66 0.00 0.00 57.16 57.88 1i2m n GLU 334 Cb 0.64 -1.90 -0.16 0.00 0.27 0.00 0.00 31.44 30.30 1i2m n GLU 334 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1i2m s LYS 335 N -0.54 2.58 0.00 5.31 -0.14 -0.63 -4.95 119.74 121.37 1i2m s LYS 335 Ca 0.71 -0.87 0.14 0.00 -1.36 0.00 0.00 55.97 54.59 1i2m s LYS 335 Cb -0.83 -2.21 0.09 0.00 -1.68 0.00 0.00 37.83 33.21 1i2m s LYS 335 CO 0.53 0.41 0.92 -1.13 -0.76 0.00 0.00 175.35 175.32 1i2m n SER 336 N 2.89 2.07 -4.07 2.83 3.41 -1.26 -0.39 113.62 119.09 1i2m n SER 336 Ca -0.17 -1.54 -0.16 0.00 -0.26 0.00 0.00 58.87 56.74 1i2m n SER 336 Cb 0.52 0.07 -0.13 0.00 -0.26 0.00 0.00 64.21 64.41 1i2m n SER 336 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1i2m s ILE 337 N -1.26 0.70 0.01 -1.33 -4.36 -1.26 -4.03 121.20 109.68 1i2m s ILE 337 Ca 0.16 -0.88 -0.34 0.00 -0.26 0.00 0.00 60.65 59.32 1i2m s ILE 337 Cb 0.12 -0.69 -0.13 0.00 1.25 0.00 0.00 42.46 43.01 1i2m s ILE 337 CO 0.20 -0.16 1.73 -0.81 0.24 0.00 0.00 174.94 176.15 1i2m n PRO 338 N 1.90 2.06 -4.86 0.37 -0.04 -1.26 -4.68 135.00 128.49 1i2m n PRO 338 Ca -0.19 0.75 -0.33 0.00 -0.04 0.00 0.00 63.50 63.69 1i2m n PRO 338 Cb 0.55 -2.55 -0.15 0.00 -0.04 0.00 0.00 33.50 31.32 1i2m n PRO 338 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1i2m s THR 339 N 2.64 2.87 0.14 0.52 2.01 0.32 -4.85 115.64 119.29 1i2m s THR 339 Ca 0.87 -0.73 -0.32 0.00 0.31 0.00 0.00 61.69 61.82 1i2m s THR 339 Cb -0.72 -2.19 -0.11 0.00 0.01 0.00 0.00 72.50 69.49 1i2m s THR 339 CO 0.47 0.53 1.79 -0.11 -0.69 0.00 0.00 174.62 176.60 1i2m n LEU 340 N 3.52 3.92 -4.44 4.42 7.94 -1.26 -1.02 117.00 130.08 1i2m n LEU 340 Ca -0.18 1.02 -0.43 0.00 -1.11 0.00 0.00 56.01 55.30 1i2m n LEU 340 Cb 0.53 -1.54 -0.04 0.00 0.53 0.00 0.00 43.42 42.90 1i2m n LEU 340 CO 0.30 0.13 0.64 -0.63 -1.11 0.00 0.00 177.39 176.72 1i2m s ILE 341 N 2.18 4.49 0.22 1.96 1.01 -0.23 -4.92 121.20 125.91 1i2m s ILE 341 Ca 0.80 -0.43 0.11 0.00 0.00 0.00 0.00 60.65 61.13 1i2m s ILE 341 Cb -0.52 -4.59 -0.02 0.00 0.01 0.00 0.00 42.46 37.34 1i2m s ILE 341 CO 0.37 -1.29 1.58 0.77 0.00 0.00 0.00 174.94 176.37 1i2m h SER 342 N 9.40 0.00 -0.23 3.58 4.64 -1.87 -3.36 113.55 125.72 1i2m h SER 342 Ca -0.28 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.82 1i2m h SER 342 Cb 1.08 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.09 1i2m h SER 342 CO 1.13 0.63 -0.08 0.54 -0.87 0.00 0.00 176.83 178.18 1i2m n ARG 343 N -3.67 1.81 -3.98 4.77 1.74 -1.26 -4.88 116.66 111.20 1i2m n ARG 343 Ca -0.01 -1.05 -0.10 0.00 -0.77 0.00 0.00 57.85 55.92 1i2m n ARG 343 Cb 0.65 -1.75 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 1i2m n ARG 343 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1i2m s LEU 344 N -0.55 2.19 0.00 0.55 1.43 -1.26 -4.82 118.68 116.22 1i2m s LEU 344 Ca 0.46 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.01 1i2m s LEU 344 Cb 0.25 0.03 0.22 0.00 0.03 0.00 0.00 46.19 46.72 1i2m s LEU 344 CO -0.04 -0.21 1.22 -2.65 0.23 0.00 0.00 176.35 174.90 1i2m n PRO 345 N 1.92 -1.47 -1.70 1.29 -0.02 -1.26 -4.93 135.00 128.83 1i2m n PRO 345 Ca -0.21 -1.89 -0.44 0.00 -2.02 0.00 0.00 63.50 58.94 1i2m n PRO 345 Cb 0.56 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 1i2m n PRO 345 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i2m n ALA 346 N -3.94 1.77 -2.82 3.55 0.00 -1.26 -4.92 120.51 112.88 1i2m n ALA 346 Ca -0.20 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.29 1i2m n ALA 346 Cb 0.54 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 1i2m n ALA 346 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i2m s VAL 347 N 0.19 5.09 -0.17 0.00 1.01 0.78 -1.42 120.40 125.88 1i2m s VAL 347 Ca 0.69 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.67 1i2m s VAL 347 Cb -0.59 -3.26 -0.17 0.00 0.00 0.00 0.00 36.38 32.36 1i2m s VAL 347 CO 0.46 0.49 -0.01 -1.54 0.00 0.00 0.00 175.10 174.51 1i2m n SER 348 N 1.61 1.55 -3.60 3.32 3.41 0.11 -4.41 113.62 115.61 1i2m n SER 348 Ca -0.16 -0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.31 1i2m n SER 348 Cb 0.54 0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 64.99 1i2m n SER 348 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1i2m s SER 349 N -5.19 -0.34 0.09 4.04 1.04 -1.04 -5.01 113.70 107.30 1i2m s SER 349 Ca -0.13 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.05 1i2m s SER 349 Cb 0.05 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1i2m s SER 349 CO 0.58 -0.95 -0.07 0.68 0.98 0.00 0.00 173.24 174.46 1i2m s VAL 350 N -3.81 0.71 0.13 5.02 -7.23 -1.26 -0.64 120.40 113.32 1i2m s VAL 350 Ca 0.04 -1.82 -0.16 0.00 -1.81 0.00 0.00 61.98 58.23 1i2m s VAL 350 Cb 0.00 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.44 1i2m s VAL 350 CO -0.10 -0.79 0.41 0.00 -0.31 0.00 0.00 175.10 174.32 1i2m s ALA 351 N -3.27 -0.97 0.04 1.32 0.00 -0.77 -4.80 121.76 113.31 1i2m s ALA 351 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1i2m s ALA 351 Cb 0.03 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1i2m s ALA 351 CO -0.04 -0.65 -0.09 0.00 0.00 0.00 0.00 175.76 174.99 1i2m n GLY 353 N 1.75 3.01 0.23 0.00 0.00 -0.27 -4.17 105.19 105.75 1i2m n GLY 353 Ca -0.20 -2.22 0.01 0.00 0.00 0.00 0.00 46.02 43.61 1i2m n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2m h ALA 354 N 0.75 0.69 0.00 4.61 0.00 -1.64 -3.27 119.26 120.40 1i2m h ALA 354 Ca -0.13 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1i2m h ALA 354 Cb 0.47 0.23 -0.25 0.00 0.00 0.00 0.00 17.79 18.25 1i2m h ALA 354 CO 0.21 -0.34 -0.83 0.43 0.00 0.00 0.00 179.25 178.72 1i2m n SER 355 N -5.19 0.95 -4.22 0.00 7.64 -1.26 -2.44 113.62 109.11 1i2m n SER 355 Ca 0.09 -2.29 -0.13 0.00 1.01 0.00 0.00 58.87 57.56 1i2m n SER 355 Cb 0.34 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 1i2m n SER 355 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1i2m s VAL 356 N -0.53 0.76 0.10 0.44 -7.23 -1.23 -1.45 120.40 111.26 1i2m s VAL 356 Ca 0.28 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1i2m s VAL 356 Cb 0.31 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 1i2m s VAL 356 CO -0.12 -0.66 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.09 1i2m s GLY 357 N -3.13 0.82 0.04 2.32 0.00 0.02 -1.11 107.32 106.29 1i2m s GLY 357 Ca 0.18 -1.24 -0.08 0.00 0.00 0.00 0.00 44.72 43.59 1i2m s GLY 357 CO 0.00 -1.32 0.16 -0.19 0.00 0.00 0.00 173.10 171.75 1i2m s TYR 358 N -2.81 0.11 -0.06 1.90 1.51 0.43 -1.66 117.35 116.76 1i2m s TYR 358 Ca 0.07 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1i2m s TYR 358 Cb -0.00 -0.07 0.04 0.00 -0.11 0.00 0.00 41.96 41.81 1i2m s TYR 358 CO -0.01 -0.41 0.14 0.00 -1.11 0.00 0.00 175.55 174.15 1i2m s ALA 359 N -2.66 -0.26 -0.20 3.71 0.00 -0.70 -1.85 121.76 119.80 1i2m s ALA 359 Ca -0.04 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 1i2m s ALA 359 Cb -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1i2m s ALA 359 CO -0.05 -0.14 0.07 0.08 0.00 0.00 0.00 175.76 175.72 1i2m s VAL 360 N 1.05 4.74 0.54 0.00 1.01 0.19 -0.94 120.40 126.99 1i2m s VAL 360 Ca -0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1i2m s VAL 360 Cb -0.10 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1i2m s VAL 360 CO -0.05 0.43 0.89 0.42 0.00 0.00 0.00 175.10 176.79 1i2m s THR 361 N 0.64 4.80 0.53 3.92 -4.23 0.52 0.04 115.64 121.85 1i2m s THR 361 Ca 0.04 0.48 0.24 0.00 -1.18 0.00 0.00 61.69 61.26 1i2m s THR 361 Cb -0.13 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.15 1i2m s THR 361 CO 0.01 -0.97 2.17 0.11 -0.54 0.00 0.00 174.62 175.40 1i2m h LYS 362 N -0.01 0.00 -0.14 3.99 1.57 -1.51 -1.13 116.57 119.34 1i2m h LYS 362 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1i2m h LYS 362 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1i2m h LYS 362 CO 0.62 0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 179.14 1i2m n ASP 363 N -4.05 1.14 0.00 0.86 5.68 -1.26 -4.92 116.55 114.00 1i2m n ASP 363 Ca -0.03 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 1i2m n ASP 363 Cb 0.13 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1i2m n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i2m n GLY 364 N 0.98 0.76 3.95 6.12 0.00 -0.43 -4.91 105.19 111.67 1i2m n GLY 364 Ca 0.14 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1i2m n GLY 364 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i2m s ARG 365 N -0.69 3.46 -0.07 1.61 0.52 -1.26 -0.37 118.95 122.15 1i2m s ARG 365 Ca 0.00 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 1i2m s ARG 365 Cb 0.00 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1i2m s ARG 365 CO 0.00 0.42 -0.17 0.54 0.02 0.00 0.00 175.30 176.11 1i2m s VAL 366 N -1.93 1.45 0.04 3.52 0.11 -1.26 -0.35 120.40 121.97 1i2m s VAL 366 Ca 0.36 -0.68 0.06 0.00 -2.93 0.00 0.00 61.98 58.78 1i2m s VAL 366 Cb -0.10 -1.27 -0.03 0.00 -1.53 0.00 0.00 36.38 33.44 1i2m s VAL 366 CO 0.30 0.42 -0.12 -0.36 -3.33 0.00 0.00 175.10 172.00 1i2m s PHE 367 N 0.39 2.71 0.10 1.54 0.40 -0.11 -0.72 117.98 122.29 1i2m s PHE 367 Ca -0.12 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1i2m s PHE 367 Cb -0.15 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1i2m s PHE 367 CO 0.04 0.33 -0.12 0.00 0.70 0.00 0.00 175.22 176.17 1i2m s ALA 368 N -1.00 1.24 0.23 5.36 0.00 -0.36 -1.72 121.76 125.50 1i2m s ALA 368 Ca 0.17 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 1i2m s ALA 368 Cb -0.11 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1i2m s ALA 368 CO 0.07 0.02 0.64 1.67 0.00 0.00 0.00 175.76 178.17 1i2m s TRP 369 N -2.29 -0.28 0.00 0.00 -2.14 -0.67 -0.98 118.94 112.58 1i2m s TRP 369 Ca 0.06 -0.07 0.00 0.00 2.66 0.00 0.00 56.10 58.75 1i2m s TRP 369 Cb -0.04 0.60 0.00 0.00 -3.10 0.00 0.00 33.47 30.93 1i2m s TRP 369 CO 0.01 -1.05 0.00 0.41 -2.66 0.00 0.00 176.95 173.66 1i2m n GLY 370 N -0.41 -0.58 3.68 3.67 0.00 0.14 -0.80 105.19 110.89 1i2m n GLY 370 Ca -0.09 -2.18 -0.45 0.00 0.00 0.00 0.00 46.02 43.29 1i2m n GLY 370 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1i2m n MET 371 N 0.00 2.42 0.00 1.61 1.56 -0.53 -1.92 117.12 120.26 1i2m n MET 371 Ca 0.00 0.88 0.11 0.00 -0.27 0.00 0.00 57.70 58.42 1i2m n MET 371 Cb 0.00 -2.72 0.07 0.00 2.15 0.00 0.00 33.22 32.72 1i2m n MET 371 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1i2m n GLY 372 N 4.02 -0.32 0.43 -5.12 0.00 -1.25 -4.59 105.19 98.36 1i2m n GLY 372 Ca 0.19 -0.57 0.27 0.00 0.00 0.00 0.00 46.02 45.91 1i2m n GLY 372 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i2m h THR 373 N 1.69 0.40 -0.21 2.61 2.02 -1.81 0.66 112.91 118.27 1i2m h THR 373 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1i2m h THR 373 Cb 0.65 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1i2m h THR 373 CO 0.00 0.05 0.00 0.59 0.37 0.00 0.00 175.52 176.53 1i2m n ASN 374 N -4.62 2.30 -1.50 4.18 3.02 -1.26 -4.93 115.26 112.46 1i2m n ASN 374 Ca 0.29 -1.80 -0.13 0.00 -0.03 0.00 0.00 54.58 52.90 1i2m n ASN 374 Cb 1.05 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 40.08 1i2m n ASN 374 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1i2m n TYR 375 N 0.75 -0.59 0.67 3.10 4.02 0.22 -3.35 117.16 121.99 1i2m n TYR 375 Ca 0.17 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.19 1i2m n TYR 375 Cb 0.44 -2.88 0.44 0.00 -0.02 0.00 0.00 39.34 37.32 1i2m n TYR 375 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1i2m n GLN 376 N -2.32 0.22 0.18 -0.72 6.02 -1.26 -3.71 117.38 115.79 1i2m n GLN 376 Ca -0.16 0.19 0.06 0.00 -0.01 0.00 0.00 57.00 57.09 1i2m n GLN 376 Cb 0.61 -1.76 0.26 0.00 1.02 0.00 0.00 30.24 30.37 1i2m n GLN 376 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1i2m h LEU 377 N 0.00 0.00 0.40 1.08 3.38 -1.86 -3.47 115.31 114.85 1i2m h LEU 377 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1i2m h LEU 377 Cb 0.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1i2m h LEU 377 CO 0.00 0.35 -0.12 0.61 0.09 0.00 0.00 178.44 179.37 1i2m n GLY 378 N 0.60 0.66 0.04 0.83 0.00 -1.25 -4.74 105.19 101.33 1i2m n GLY 378 Ca 0.01 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1i2m n GLY 378 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i2m n THR 379 N -3.11 0.24 0.00 2.61 -2.24 -1.26 -4.18 114.28 106.33 1i2m n THR 379 Ca -0.06 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1i2m n THR 379 Cb 0.28 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1i2m n THR 379 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i2m n GLY 380 N 1.36 1.46 3.66 3.38 0.00 -1.25 -5.03 105.19 108.77 1i2m n GLY 380 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1i2m n GLY 380 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i2m s GLN 381 N -0.73 2.11 -0.14 1.61 -1.52 -1.26 -5.01 119.66 114.72 1i2m s GLN 381 Ca 0.00 -1.82 0.16 0.00 -1.95 0.00 0.00 55.36 51.74 1i2m s GLN 381 Cb 0.00 -1.91 0.59 0.00 -0.22 0.00 0.00 33.01 31.48 1i2m s GLN 381 CO 0.00 0.04 1.51 -0.40 -0.25 0.00 0.00 175.29 176.18 1i2m n ASP 382 N -1.04 4.28 -4.85 5.90 5.75 -1.26 -4.70 116.55 120.64 1i2m n ASP 382 Ca -0.03 -2.68 -0.33 0.00 -0.01 0.00 0.00 54.79 51.74 1i2m n ASP 382 Cb 0.64 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 1i2m n ASP 382 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1i2m s GLU 383 N -2.24 4.01 0.50 0.11 2.02 -1.26 -2.71 118.70 119.13 1i2m s GLU 383 Ca 0.43 0.63 -0.21 0.00 0.02 0.00 0.00 54.97 55.84 1i2m s GLU 383 Cb 0.31 -2.58 -0.07 0.00 0.10 0.00 0.00 34.13 31.90 1i2m s GLU 383 CO 0.15 0.25 1.15 -0.51 0.02 0.00 0.00 175.26 176.32 1i2m s ASP 384 N -2.14 5.92 -0.26 -0.19 1.01 -1.26 -3.92 116.67 115.84 1i2m s ASP 384 Ca 0.50 2.25 -0.01 0.00 0.71 0.00 0.00 52.55 56.00 1i2m s ASP 384 Cb -0.12 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.26 1i2m s ASP 384 CO 0.19 -1.08 -0.06 0.00 0.21 0.00 0.00 175.17 174.42 1i2m s ALA 385 N -1.65 2.69 -0.88 5.23 0.00 -0.81 -4.89 121.76 121.45 1i2m s ALA 385 Ca 0.68 -1.57 0.27 0.00 0.00 0.00 0.00 51.96 51.34 1i2m s ALA 385 Cb -0.27 -1.72 0.88 0.00 0.00 0.00 0.00 23.12 22.02 1i2m s ALA 385 CO 0.31 -0.96 1.72 0.91 0.00 0.00 0.00 175.76 177.74 1i2m n TRP 386 N 4.62 0.31 -4.21 0.00 7.02 -1.26 -0.69 117.44 123.23 1i2m n TRP 386 Ca -0.15 0.09 -0.16 0.00 -1.02 0.00 0.00 57.50 56.25 1i2m n TRP 386 Cb 0.46 -0.59 -0.11 0.00 -2.42 0.00 0.00 31.31 28.64 1i2m n TRP 386 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1i2m s SER 387 N -3.55 1.76 0.29 -0.99 0.01 -1.26 -1.22 113.70 108.74 1i2m s SER 387 Ca 0.12 -0.82 -0.30 0.00 1.31 0.00 0.00 55.95 56.26 1i2m s SER 387 Cb 0.16 -0.03 -0.13 0.00 0.21 0.00 0.00 66.02 66.23 1i2m s SER 387 CO 0.60 -0.20 1.38 -2.65 0.41 0.00 0.00 173.24 172.79 1i2m n PRO 388 N 0.52 2.15 -4.55 12.44 -0.02 -1.26 -4.72 135.00 139.56 1i2m n PRO 388 Ca -0.16 0.76 -0.24 0.00 -2.02 0.00 0.00 63.50 61.84 1i2m n PRO 388 Cb 0.57 -2.40 -0.17 0.00 -0.02 0.00 0.00 33.50 31.49 1i2m n PRO 388 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1i2m s VAL 389 N -0.46 1.10 0.26 -1.45 -7.23 -0.16 -4.89 120.40 107.56 1i2m s VAL 389 Ca 0.63 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 1i2m s VAL 389 Cb -0.60 -1.01 -0.10 0.00 0.56 0.00 0.00 36.38 35.23 1i2m s VAL 389 CO 0.55 0.35 1.42 -0.70 -0.31 0.00 0.00 175.10 176.41 1i2m s GLU 390 N 0.69 4.28 -0.03 4.82 2.12 -1.26 -1.23 118.70 128.09 1i2m s GLU 390 Ca -0.14 2.29 -0.27 0.00 0.36 0.00 0.00 54.97 57.21 1i2m s GLU 390 Cb -0.16 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1i2m s GLU 390 CO 0.03 -0.40 0.85 -1.64 -0.54 0.00 0.00 175.26 173.57 1i2m s MET 391 N -0.52 4.50 0.09 4.30 -1.94 0.11 -4.92 119.30 120.91 1i2m s MET 391 Ca 0.58 1.17 0.02 0.00 -1.71 0.00 0.00 55.69 55.76 1i2m s MET 391 Cb -0.42 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 32.93 1i2m s MET 391 CO 0.44 -0.00 -0.07 -1.64 -0.01 0.00 0.00 175.02 173.74 1i2m s MET 392 N 0.94 0.78 0.00 2.03 1.00 -1.26 -4.76 119.30 118.04 1i2m s MET 392 Ca 0.45 -1.21 0.00 0.00 0.00 0.00 0.00 55.69 54.94 1i2m s MET 392 Cb -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 34.83 34.36 1i2m s MET 392 CO 0.23 0.01 0.00 0.41 0.00 0.00 0.00 175.02 175.67 1i2m n GLY 393 N 0.31 2.09 0.30 -0.03 0.00 -1.26 -4.85 105.19 101.75 1i2m n GLY 393 Ca -0.15 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.09 1i2m n GLY 393 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1i2m h LYS 394 N 0.00 0.41 0.00 1.61 3.64 -1.98 0.12 116.57 120.37 1i2m h LYS 394 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1i2m h LYS 394 Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1i2m h LYS 394 CO 0.00 0.27 0.00 1.04 -2.27 0.00 0.00 179.45 178.49 1i2m n GLN 395 N -5.03 0.11 0.00 1.90 1.13 -1.26 -2.71 117.38 111.51 1i2m n GLN 395 Ca 0.19 0.14 0.09 0.00 -1.94 0.00 0.00 57.00 55.48 1i2m n GLN 395 Cb 0.56 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.34 1i2m n GLN 395 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1i2m n LEU 396 N -1.42 1.11 -4.75 1.08 4.77 0.40 -4.85 117.00 113.34 1i2m n LEU 396 Ca 0.06 -0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 55.06 1i2m n LEU 396 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1i2m n LEU 396 CO 0.17 0.25 0.95 -1.61 -1.33 0.00 0.00 177.39 175.82 1i2m s GLU 397 N -2.50 4.41 -1.92 3.23 2.02 -1.03 -2.72 118.70 120.19 1i2m s GLU 397 Ca 0.09 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.16 1i2m s GLU 397 Cb 0.14 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1i2m s GLU 397 CO 0.65 -0.16 0.00 0.09 0.02 0.00 0.00 175.26 175.86 1i2m n ASN 398 N 1.71 -5.22 -4.16 -0.19 5.03 -1.26 -4.97 115.26 106.20 1i2m n ASN 398 Ca 0.03 0.42 -0.11 0.00 0.87 0.00 0.00 54.58 55.78 1i2m n ASN 398 Cb 0.43 -4.33 -0.10 0.00 -1.02 0.00 0.00 39.78 34.75 1i2m n ASN 398 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1i2m s ARG 399 N -3.65 0.79 0.19 3.52 0.52 -1.10 -1.61 118.95 117.61 1i2m s ARG 399 Ca 0.00 -1.24 0.11 0.00 -0.52 0.00 0.00 55.73 54.09 1i2m s ARG 399 Cb 0.00 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 1i2m s ARG 399 CO 0.00 0.00 -0.23 0.14 0.02 0.00 0.00 175.30 175.23 1i2m s VAL 400 N -3.18 2.42 -0.18 3.52 -7.23 0.05 -4.73 120.40 111.07 1i2m s VAL 400 Ca 0.08 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.09 1i2m s VAL 400 Cb 0.02 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1i2m s VAL 400 CO -0.03 -0.12 0.36 -0.69 -0.31 0.00 0.00 175.10 174.30 1i2m s VAL 401 N -1.70 5.24 -0.08 1.32 1.01 0.50 -1.62 120.40 125.08 1i2m s VAL 401 Ca 0.21 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.87 1i2m s VAL 401 Cb -0.08 -3.69 -0.25 0.00 0.00 0.00 0.00 36.38 32.36 1i2m s VAL 401 CO 0.10 0.31 0.54 -0.07 0.00 0.00 0.00 175.10 175.98 1i2m h LEU 402 N 7.23 0.23 -7.18 3.92 3.38 -1.07 -3.43 115.31 118.39 1i2m h LEU 402 Ca -0.38 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.19 1i2m h LEU 402 Cb 1.16 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 1i2m h LEU 402 CO 0.73 1.45 0.45 -0.94 0.09 0.00 0.00 178.44 180.21 1i2m s SER 403 N -6.61 -0.35 -0.00 -0.43 1.04 -1.16 -5.00 113.70 101.19 1i2m s SER 403 Ca -0.13 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 1i2m s SER 403 Cb 0.07 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 1i2m s SER 403 CO 0.80 -0.75 0.03 0.54 0.98 0.00 0.00 173.24 174.83 1i2m s VAL 404 N -3.27 0.04 -0.01 5.02 0.11 -1.26 -1.68 120.40 119.35 1i2m s VAL 404 Ca 0.06 -0.30 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 1i2m s VAL 404 Cb -0.01 -0.14 -0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1i2m s VAL 404 CO -0.06 -0.16 0.04 -0.55 -3.33 0.00 0.00 175.10 171.03 1i2m s SER 405 N -0.49 0.01 0.02 3.54 0.15 -0.02 -4.76 113.70 112.16 1i2m s SER 405 Ca -0.05 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1i2m s SER 405 Cb -0.03 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.37 1i2m s SER 405 CO -0.00 -0.10 -0.06 -0.55 1.20 0.00 0.00 173.24 173.72 1i2m s SER 406 N -0.39 0.67 0.00 5.45 0.15 -1.26 -0.20 113.70 118.12 1i2m s SER 406 Ca -0.04 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1i2m s SER 406 Cb -0.03 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1i2m s SER 406 CO -0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1i2m n GLY 407 N 2.03 3.84 0.16 9.45 0.00 -0.23 -4.42 105.19 116.02 1i2m n GLY 407 Ca -0.19 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 1i2m n GLY 407 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i2m h GLY 408 N 0.00 0.56 0.00 -0.02 0.00 -1.49 -2.20 103.07 99.93 1i2m h GLY 408 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.35 1i2m h GLY 408 CO 0.00 0.86 0.00 -1.06 0.00 0.00 0.00 176.54 176.34 1i2m n GLN 409 N -4.11 0.09 -4.24 4.80 6.02 -1.26 -4.58 117.38 114.10 1i2m n GLN 409 Ca -0.10 -0.40 -0.13 0.00 -0.01 0.00 0.00 57.00 56.35 1i2m n GLN 409 Cb 0.73 -0.69 -0.10 0.00 1.02 0.00 0.00 30.24 31.21 1i2m n GLN 409 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1i2m s HIS 410 N -0.12 1.23 0.01 1.08 -3.43 -1.26 -1.02 115.29 111.78 1i2m s HIS 410 Ca 0.00 -1.17 0.00 0.00 -0.80 0.00 0.00 55.06 53.09 1i2m s HIS 410 Cb 0.00 -0.69 -0.01 0.00 -1.43 0.00 0.00 32.58 30.45 1i2m s HIS 410 CO 0.00 -0.38 -0.02 0.99 -2.00 0.00 0.00 174.74 173.33 1i2m s THR 411 N -3.85 0.12 -0.07 -5.38 2.01 0.01 -1.07 115.64 107.42 1i2m s THR 411 Ca 0.30 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1i2m s THR 411 Cb 0.07 -0.18 -0.00 0.00 0.01 0.00 0.00 72.50 72.40 1i2m s THR 411 CO 0.08 -0.21 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.92 1i2m s VAL 412 N -0.67 1.64 0.11 3.82 1.01 0.72 -1.62 120.40 125.41 1i2m s VAL 412 Ca -0.07 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.21 1i2m s VAL 412 Cb -0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1i2m s VAL 412 CO -0.00 0.47 -0.25 -0.76 0.00 0.00 0.00 175.10 174.55 1i2m s LEU 413 N 0.22 2.37 -0.19 3.92 1.43 0.29 -0.84 118.68 125.88 1i2m s LEU 413 Ca -0.10 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1i2m s LEU 413 Cb -0.15 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1i2m s LEU 413 CO 0.05 0.20 -0.17 -0.22 0.23 0.00 0.00 176.35 176.43 1i2m s LEU 414 N -1.90 2.27 0.25 1.79 2.96 -0.68 -0.86 118.68 122.52 1i2m s LEU 414 Ca 0.14 -0.61 0.08 0.00 -0.22 0.00 0.00 54.13 53.52 1i2m s LEU 414 Cb -0.10 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 1i2m s LEU 414 CO 0.06 -0.00 -0.10 0.68 -1.32 0.00 0.00 176.35 175.66 1i2m s VAL 415 N 1.32 1.77 0.17 1.68 -7.23 0.85 -0.41 120.40 118.54 1i2m s VAL 415 Ca 0.05 -2.18 -0.03 0.00 -1.81 0.00 0.00 61.98 58.01 1i2m s VAL 415 Cb -0.13 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1i2m s VAL 415 CO -0.11 -0.41 0.14 -0.75 -0.31 0.00 0.00 175.10 173.65 1i2m s LYS 416 N -3.68 1.09 0.38 4.82 2.20 -0.64 0.57 119.74 124.48 1i2m s LYS 416 Ca 0.27 -1.45 -0.27 0.00 -0.36 0.00 0.00 55.97 54.16 1i2m s LYS 416 Cb 0.01 0.29 -0.09 0.00 -1.51 0.00 0.00 37.83 36.53 1i2m s LYS 416 CO 0.10 -0.35 1.28 -0.51 -0.36 0.00 0.00 175.35 175.51 1i2m s ASP 417 N -3.07 6.53 0.19 1.43 1.01 -1.26 -0.77 116.67 120.72 1i2m s ASP 417 Ca 0.28 2.61 -0.30 0.00 0.71 0.00 0.00 52.55 55.85 1i2m s ASP 417 Cb 0.06 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 1i2m s ASP 417 CO 0.05 -0.70 0.99 -0.75 0.21 0.00 0.00 175.17 174.98 1i2m s LYS 418 N -2.07 4.74 0.00 8.23 2.20 -0.63 -4.59 119.74 127.62 1i2m s LYS 418 Ca 0.54 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 1i2m s LYS 418 Cb -0.37 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1i2m s LYS 418 CO 0.49 0.31 0.00 -1.91 -0.36 0.00 0.00 175.35 173.88