#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b40 s ASP 2 N 0.00 5.66 -0.04 0.00 1.01 -1.26 -4.82 116.67 117.22 1b40 s ASP 2 Ca 0.00 -2.97 -0.30 0.00 0.71 0.00 0.00 52.55 49.99 1b40 s ASP 2 Cb 0.00 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 1b40 s ASP 2 CO 0.00 -0.38 1.37 -0.69 0.21 0.00 0.00 175.17 175.69 1b40 s VAL 3 N -0.24 3.88 0.59 -1.27 1.01 -1.26 -4.99 120.40 118.12 1b40 s VAL 3 Ca 0.19 1.20 -0.20 0.00 0.00 0.00 0.00 61.98 63.18 1b40 s VAL 3 Cb -0.16 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1b40 s VAL 3 CO -0.06 -0.03 1.18 -2.65 0.00 0.00 0.00 175.10 173.55 1b40 n PRO 4 N 5.72 1.22 -1.67 2.72 -0.02 -1.26 -4.88 135.00 136.82 1b40 n PRO 4 Ca 0.13 0.46 -0.49 0.00 -2.02 0.00 0.00 63.50 61.59 1b40 n PRO 4 Cb 0.44 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 1b40 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b40 n ALA 5 N -1.52 0.82 -0.86 3.55 0.00 -1.26 -2.10 120.51 119.14 1b40 n ALA 5 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1b40 n ALA 5 Cb 0.46 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1b40 n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b40 n GLY 6 N 3.95 1.25 3.75 0.00 0.00 -1.26 -5.02 105.19 107.86 1b40 n GLY 6 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1b40 n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b40 s VAL 7 N -3.84 3.15 -0.09 1.61 -7.23 -0.89 -4.98 120.40 108.13 1b40 s VAL 7 Ca 0.00 1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 61.03 1b40 s VAL 7 Cb 0.00 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1b40 s VAL 7 CO 0.00 0.21 0.54 -1.10 -0.31 0.00 0.00 175.10 174.44 1b40 s GLN 8 N -0.95 4.35 0.21 4.82 -0.21 -1.26 -4.99 119.66 121.62 1b40 s GLN 8 Ca 0.51 0.59 -0.09 0.00 0.02 0.00 0.00 55.36 56.39 1b40 s GLN 8 Cb -0.36 -3.42 -0.07 0.00 1.00 0.00 0.00 33.01 30.16 1b40 s GLN 8 CO 0.43 0.18 0.52 -0.51 -2.12 0.00 0.00 175.29 173.79 1b40 s LEU 9 N 0.52 4.19 0.82 2.90 1.43 -1.26 -1.34 118.68 125.94 1b40 s LEU 9 Ca 0.29 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.15 1b40 s LEU 9 Cb -0.16 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.55 1b40 s LEU 9 CO 0.13 -0.04 1.14 0.00 0.23 0.00 0.00 176.35 177.80 1b40 s ALA 10 N -1.77 1.91 0.03 4.21 0.00 -0.52 -4.32 121.76 121.32 1b40 s ALA 10 Ca 0.46 0.53 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 1b40 s ALA 10 Cb -0.12 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.47 1b40 s ALA 10 CO 0.21 -2.18 1.37 -0.44 0.00 0.00 0.00 175.76 174.73 1b40 h ASP 11 N -1.23 0.28 -3.58 0.00 5.19 -1.95 -3.41 116.42 111.71 1b40 h ASP 11 Ca -0.44 -0.43 -0.64 0.00 -0.62 0.00 0.00 57.03 54.90 1b40 h ASP 11 Cb 1.26 -0.08 -0.14 0.00 0.18 0.00 0.00 39.33 40.55 1b40 h ASP 11 CO 0.47 0.65 0.16 -0.75 -3.12 0.00 0.00 179.24 176.65 1b40 s LYS 12 N -4.49 3.52 -1.05 3.56 2.20 -1.26 -5.01 119.74 117.21 1b40 s LYS 12 Ca -0.14 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1b40 s LYS 12 Cb 0.05 -3.87 0.30 0.00 -1.51 0.00 0.00 37.83 32.80 1b40 s LYS 12 CO 0.73 -0.86 1.39 1.04 -0.36 0.00 0.00 175.35 177.29 1b40 n GLN 13 N 6.18 4.25 -4.35 4.03 1.13 -1.26 -4.89 117.38 122.47 1b40 n GLN 13 Ca -0.01 -4.56 -0.25 0.00 -1.94 0.00 0.00 57.00 50.23 1b40 n GLN 13 Cb 0.48 -2.49 -0.13 0.00 0.11 0.00 0.00 30.24 28.21 1b40 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1b40 s THR 14 N -2.66 1.86 -0.01 5.09 -4.23 -1.26 -0.01 115.64 114.42 1b40 s THR 14 Ca 0.32 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1b40 s THR 14 Cb 0.05 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.22 1b40 s THR 14 CO 0.08 0.01 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.89 1b40 s LEU 15 N -1.88 1.84 -0.18 4.79 2.96 -0.35 -4.96 118.68 120.90 1b40 s LEU 15 Ca 0.09 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1b40 s LEU 15 Cb -0.10 -0.35 0.02 0.00 0.50 0.00 0.00 46.19 46.27 1b40 s LEU 15 CO 0.04 0.05 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.24 1b40 s VAL 16 N 0.10 2.07 -0.06 1.68 1.01 -1.26 -1.03 120.40 122.91 1b40 s VAL 16 Ca -0.01 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1b40 s VAL 16 Cb -0.05 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1b40 s VAL 16 CO -0.00 0.51 -0.24 -0.13 0.00 0.00 0.00 175.10 175.24 1b40 s ARG 17 N 1.28 2.47 0.38 2.72 0.52 -0.23 -0.90 118.95 125.19 1b40 s ARG 17 Ca 0.04 -0.86 -0.23 0.00 -0.52 0.00 0.00 55.73 54.16 1b40 s ARG 17 Cb -0.13 -2.08 -0.10 0.00 0.52 0.00 0.00 34.95 33.15 1b40 s ARG 17 CO -0.13 0.35 0.93 1.21 0.02 0.00 0.00 175.30 177.69 1b40 s ASN 18 N -0.12 7.09 -0.09 0.23 2.47 -0.31 -0.59 114.94 123.62 1b40 s ASN 18 Ca -0.04 1.72 0.13 0.00 0.42 0.00 0.00 52.86 55.09 1b40 s ASN 18 Cb -0.14 -2.55 0.23 0.00 -1.45 0.00 0.00 41.25 37.35 1b40 s ASN 18 CO 0.04 -0.23 1.11 -3.20 -3.72 0.00 0.00 177.10 171.10 1b40 n ASN 19 N -0.15 1.45 0.00 -4.21 5.15 0.33 -3.50 115.26 114.33 1b40 n ASN 19 Ca 0.05 -2.78 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 1b40 n ASN 19 Cb 0.52 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1b40 n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b40 n GLY 20 N -0.81 0.95 3.89 8.20 0.00 -1.25 -4.60 105.19 111.59 1b40 n GLY 20 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 1b40 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b40 s SER 21 N 0.00 -0.01 -0.04 1.61 1.04 -1.25 -3.14 113.70 111.90 1b40 s SER 21 Ca 0.00 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 55.87 1b40 s SER 21 Cb 0.00 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1b40 s SER 21 CO 0.00 -0.40 1.34 -0.70 0.98 0.00 0.00 173.24 174.47 1b40 s GLU 22 N -2.14 4.29 0.55 4.02 2.56 -1.26 -4.48 118.70 122.24 1b40 s GLU 22 Ca 0.25 1.86 -0.21 0.00 0.00 0.00 0.00 54.97 56.86 1b40 s GLU 22 Cb 0.00 -3.62 -0.05 0.00 2.00 0.00 0.00 34.13 32.47 1b40 s GLU 22 CO -0.00 -0.57 1.33 0.14 -0.56 0.00 0.00 175.26 175.59 1b40 s VAL 23 N 2.58 2.19 0.30 3.70 -7.23 -1.26 -4.59 120.40 116.10 1b40 s VAL 23 Ca 0.61 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1b40 s VAL 23 Cb -0.28 -3.07 0.19 0.00 0.56 0.00 0.00 36.38 33.78 1b40 s VAL 23 CO 0.24 -0.00 1.89 1.56 -0.31 0.00 0.00 175.10 178.47 1b40 h GLN 24 N 1.42 0.81 -1.50 4.82 4.20 -1.93 -3.47 115.11 119.45 1b40 h GLN 24 Ca -0.51 -0.13 0.32 0.00 0.06 0.00 0.00 58.65 58.39 1b40 h GLN 24 Cb 1.30 -0.14 -0.12 0.00 0.30 0.00 0.00 27.48 28.82 1b40 h GLN 24 CO 0.57 0.68 0.81 0.45 -0.67 0.00 0.00 178.83 180.66 1b40 s SER 25 N -6.55 -0.07 0.00 1.46 0.15 -1.26 -5.04 113.70 102.39 1b40 s SER 25 Ca -0.10 -0.15 0.12 0.00 0.70 0.00 0.00 55.95 56.52 1b40 s SER 25 Cb 0.16 0.18 -0.08 0.00 -1.71 0.00 0.00 66.02 64.57 1b40 s SER 25 CO 0.79 -0.34 0.56 0.18 1.20 0.00 0.00 173.24 175.63 1b40 n LEU 26 N -0.48 0.83 -4.62 3.45 4.77 -1.26 -4.89 117.00 114.80 1b40 n LEU 26 Ca -0.08 -0.60 -0.43 0.00 -0.03 0.00 0.00 56.01 54.87 1b40 n LEU 26 Cb 0.63 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1b40 n LEU 26 CO 0.12 0.18 1.23 -0.62 -1.33 0.00 0.00 177.39 176.97 1b40 s ASP 27 N -1.88 6.45 0.59 -1.43 -1.08 -1.26 -4.92 116.67 113.14 1b40 s ASP 27 Ca 0.06 1.11 0.29 0.00 -0.52 0.00 0.00 52.55 53.49 1b40 s ASP 27 Cb 0.09 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.42 1b40 s ASP 27 CO 0.41 -1.29 1.81 -0.65 0.52 0.00 0.00 175.17 175.97 1b40 h PRO 28 N 10.28 0.00 -0.00 4.34 0.11 -1.92 0.68 132.00 145.49 1b40 h PRO 28 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1b40 h PRO 28 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1b40 h PRO 28 CO 1.05 0.00 -0.37 0.72 -0.21 0.00 0.00 178.00 179.19 1b40 n HIS 29 N -3.66 0.00 -0.38 0.65 8.25 -1.26 -3.91 115.22 114.90 1b40 n HIS 29 Ca 0.12 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.64 1b40 n HIS 29 Cb 0.83 -0.27 0.20 0.00 1.12 0.00 0.00 29.99 31.87 1b40 n HIS 29 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1b40 n LYS 30 N -1.35 2.94 -4.45 -0.41 4.76 0.24 -4.31 118.16 115.58 1b40 n LYS 30 Ca 0.07 -2.31 -0.23 0.00 -2.87 0.00 0.00 58.31 52.97 1b40 n LYS 30 Cb 0.33 -1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 31.97 1b40 n LYS 30 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1b40 s ILE 31 N -1.42 2.34 0.00 -0.18 -4.36 -1.21 -4.76 121.20 111.60 1b40 s ILE 31 Ca 0.31 -2.37 0.00 0.00 -0.26 0.00 0.00 60.65 58.33 1b40 s ILE 31 Cb 0.19 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.63 1b40 s ILE 31 CO 0.16 -0.43 0.16 -1.84 0.24 0.00 0.00 174.94 173.23 1b40 n GLU 32 N -0.58 0.00 -4.03 0.37 0.28 -1.26 -4.57 120.64 110.84 1b40 n GLU 32 Ca -0.06 -0.16 -0.26 0.00 -0.16 0.00 0.00 57.16 56.53 1b40 n GLU 32 Cb 0.60 -0.33 -0.04 0.00 1.43 0.00 0.00 31.44 33.10 1b40 n GLU 32 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1b40 s GLY 33 N 0.00 2.40 0.12 -1.84 0.00 -1.26 -5.01 107.32 101.73 1b40 s GLY 33 Ca 0.00 -1.58 -0.17 0.00 0.00 0.00 0.00 44.72 42.97 1b40 s GLY 33 CO 0.00 -1.93 1.67 -2.08 0.00 0.00 0.00 173.10 170.77 1b40 h VAL 34 N 1.11 1.18 -0.62 1.40 2.07 -1.99 -0.16 116.25 119.24 1b40 h VAL 34 Ca -0.40 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1b40 h VAL 34 Cb 1.28 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1b40 h VAL 34 CO 0.64 0.19 0.28 -0.65 0.02 0.00 0.00 177.57 178.05 1b40 h PRO 35 N 0.39 0.90 -0.22 1.57 0.11 -1.95 0.99 132.00 133.79 1b40 h PRO 35 Ca 0.11 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1b40 h PRO 35 Cb 0.17 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1b40 h PRO 35 CO -0.01 0.74 0.12 0.93 -0.21 0.00 0.00 178.00 179.57 1b40 h GLU 36 N 0.86 0.31 0.00 1.05 3.07 -1.87 -2.82 114.58 115.17 1b40 h GLU 36 Ca 0.21 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.98 1b40 h GLU 36 Cb 0.14 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1b40 h GLU 36 CO -0.02 0.29 -0.28 0.77 -1.40 0.00 0.00 179.01 178.36 1b40 h SER 37 N 0.25 0.00 0.15 1.42 0.02 -0.71 -1.43 113.55 113.25 1b40 h SER 37 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1b40 h SER 37 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1b40 h SER 37 CO -0.01 0.28 -0.15 0.78 -1.14 0.00 0.00 176.83 176.59 1b40 h ASN 38 N 0.00 -0.40 -0.27 3.07 2.35 -0.55 -2.18 115.58 117.60 1b40 h ASN 38 Ca -0.00 0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 1b40 h ASN 38 Cb 0.55 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1b40 h ASN 38 CO 0.04 -0.23 -0.46 0.58 -1.65 0.00 0.00 177.43 175.71 1b40 h VAL 39 N -0.33 1.28 -0.84 2.81 2.07 -1.52 -3.34 116.25 116.39 1b40 h VAL 39 Ca 0.00 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 65.93 1b40 h VAL 39 Cb 0.31 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1b40 h VAL 39 CO -0.04 0.54 0.55 -1.28 0.02 0.00 0.00 177.57 177.35 1b40 h SER 40 N 0.67 0.86 -0.39 0.57 0.87 -0.86 -2.10 113.55 113.18 1b40 h SER 40 Ca 0.04 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1b40 h SER 40 Cb 1.04 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 1b40 h SER 40 CO 0.10 0.58 0.26 0.03 -0.53 0.00 0.00 176.83 177.27 1b40 h ARG 41 N 0.99 0.43 0.00 2.24 3.08 -1.52 0.35 114.38 119.96 1b40 h ARG 41 Ca 0.34 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.24 1b40 h ARG 41 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1b40 h ARG 41 CO -0.11 0.28 -0.61 -0.44 -1.07 0.00 0.00 179.97 178.03 1b40 h ASP 42 N 0.44 0.00 0.02 7.04 3.32 -1.52 -3.39 116.42 122.32 1b40 h ASP 42 Ca 0.15 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.81 1b40 h ASP 42 Cb 0.07 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1b40 h ASP 42 CO -0.04 0.61 -2.40 0.18 -1.72 0.00 0.00 179.24 175.87 1b40 n LEU 43 N -3.33 2.78 -4.13 1.55 4.77 -0.38 -1.29 117.00 116.97 1b40 n LEU 43 Ca 0.01 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.65 1b40 n LEU 43 Cb 0.74 -0.93 -0.16 0.00 -2.33 0.00 0.00 43.42 40.74 1b40 n LEU 43 CO 0.42 0.87 -0.53 -0.36 -1.33 0.00 0.00 177.39 176.46 1b40 s PHE 44 N -2.52 2.55 -0.15 -1.77 0.08 -0.03 0.17 117.98 116.31 1b40 s PHE 44 Ca -0.34 -1.36 -0.01 0.00 0.12 0.00 0.00 56.93 55.35 1b40 s PHE 44 Cb 0.09 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1b40 s PHE 44 CO 0.61 -0.65 -0.12 -2.00 -0.10 0.00 0.00 175.22 172.95 1b40 s GLU 45 N 1.03 3.35 0.00 0.44 2.12 -1.26 -4.47 118.70 119.91 1b40 s GLU 45 Ca -0.03 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1b40 s GLU 45 Cb -0.14 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1b40 s GLU 45 CO -0.06 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 1b40 n GLY 46 N 3.81 0.17 0.12 -1.50 0.00 -1.26 -4.34 105.19 102.19 1b40 n GLY 46 Ca -0.18 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1b40 n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b40 h LEU 47 N 0.00 -0.04 -8.88 0.99 3.38 -1.81 0.17 115.31 109.12 1b40 h LEU 47 Ca 0.00 0.05 -0.54 0.00 0.09 0.00 0.00 57.88 57.47 1b40 h LEU 47 Cb 0.00 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 40.65 1b40 h LEU 47 CO 0.00 0.01 -0.79 -0.76 0.09 0.00 0.00 178.44 177.00 1b40 s LEU 48 N -10.35 2.45 0.16 1.67 1.02 -1.26 -0.66 118.68 111.71 1b40 s LEU 48 Ca -0.13 -0.87 0.03 0.00 0.02 0.00 0.00 54.13 53.17 1b40 s LEU 48 Cb 0.11 -0.89 -0.05 0.00 0.02 0.00 0.00 46.19 45.38 1b40 s LEU 48 CO 0.69 -0.01 -0.03 0.27 0.02 0.00 0.00 176.35 177.29 1b40 s ILE 49 N -2.04 0.82 0.16 -0.59 -4.36 0.74 -4.11 121.20 111.83 1b40 s ILE 49 Ca 0.17 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.32 1b40 s ILE 49 Cb -0.06 -2.03 -0.08 0.00 1.25 0.00 0.00 42.46 41.54 1b40 s ILE 49 CO 0.07 -0.57 0.76 -0.44 0.24 0.00 0.00 174.94 175.00 1b40 s SER 50 N -3.17 7.36 1.00 4.36 0.01 -1.26 -0.35 113.70 121.66 1b40 s SER 50 Ca 0.21 1.61 -0.02 0.00 1.31 0.00 0.00 55.95 59.06 1b40 s SER 50 Cb 0.05 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1b40 s SER 50 CO 0.03 0.21 0.16 -0.90 0.41 0.00 0.00 173.24 173.15 1b40 n ASP 51 N 1.58 -0.16 0.11 2.44 5.75 0.07 -4.78 116.55 121.55 1b40 n ASP 51 Ca -0.06 -0.99 0.06 0.00 -0.01 0.00 0.00 54.79 53.79 1b40 n ASP 51 Cb 0.49 -0.13 0.33 0.00 -1.03 0.00 0.00 41.12 40.78 1b40 n ASP 51 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1b40 n VAL 52 N -2.32 1.16 -0.39 2.12 0.24 -1.26 -0.42 118.33 117.46 1b40 n VAL 52 Ca 0.02 0.66 0.05 0.00 -2.04 0.00 0.00 64.34 63.03 1b40 n VAL 52 Cb 0.07 -1.66 0.11 0.00 -1.47 0.00 0.00 33.84 30.89 1b40 n VAL 52 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b40 n GLU 53 N -1.92 2.64 -0.35 7.34 1.02 -1.26 -4.54 120.64 123.56 1b40 n GLU 53 Ca -0.01 -2.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.08 1b40 n GLU 53 Cb 0.12 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1b40 n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b40 n GLY 54 N -0.38 0.98 3.74 0.62 0.00 0.44 -3.36 105.19 107.23 1b40 n GLY 54 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1b40 n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b40 s HIS 55 N -2.86 3.81 0.14 1.61 3.76 -1.26 -4.61 115.29 115.88 1b40 s HIS 55 Ca 0.00 1.79 -0.34 0.00 -0.15 0.00 0.00 55.06 56.36 1b40 s HIS 55 Cb 0.00 -3.09 -0.14 0.00 1.11 0.00 0.00 32.58 30.46 1b40 s HIS 55 CO 0.00 0.07 1.54 -2.30 -0.85 0.00 0.00 174.74 173.21 1b40 n PRO 56 N 2.20 1.98 -4.06 8.40 -0.02 -1.26 -0.75 135.00 141.49 1b40 n PRO 56 Ca 0.01 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1b40 n PRO 56 Cb 0.48 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1b40 n PRO 56 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1b40 s SER 57 N 0.91 -0.01 0.19 2.55 0.01 0.53 -4.82 113.70 113.06 1b40 s SER 57 Ca 0.80 -1.07 -0.32 0.00 1.31 0.00 0.00 55.95 56.67 1b40 s SER 57 Cb -0.73 0.52 -0.12 0.00 0.21 0.00 0.00 66.02 65.90 1b40 s SER 57 CO 0.40 -1.04 1.70 -2.65 0.41 0.00 0.00 173.24 172.05 1b40 n PRO 58 N -0.34 2.62 0.00 12.44 -0.02 -1.26 -0.19 135.00 148.25 1b40 n PRO 58 Ca -0.01 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1b40 n PRO 58 Cb 0.63 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1b40 n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b40 n GLY 59 N 3.85 1.25 0.23 -1.23 0.00 0.17 -4.39 105.19 105.07 1b40 n GLY 59 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1b40 n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b40 h VAL 60 N 0.00 1.28 -3.13 1.61 2.07 -0.37 -3.40 116.25 114.30 1b40 h VAL 60 Ca 0.00 -1.37 -0.57 0.00 0.82 0.00 0.00 66.70 65.58 1b40 h VAL 60 Cb 0.00 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1b40 h VAL 60 CO 0.00 0.43 0.74 0.00 0.02 0.00 0.00 177.57 178.76 1b40 s ALA 61 N -4.42 3.61 -0.16 1.67 0.00 -0.40 -1.10 121.76 120.97 1b40 s ALA 61 Ca -0.07 0.23 0.17 0.00 0.00 0.00 0.00 51.96 52.29 1b40 s ALA 61 Cb 0.13 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1b40 s ALA 61 CO 0.80 -0.93 1.15 1.05 0.00 0.00 0.00 175.76 177.83 1b40 h GLU 62 N 7.36 0.00 -1.97 0.00 4.11 -1.08 -3.41 114.58 119.59 1b40 h GLU 62 Ca -0.22 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.22 1b40 h GLU 62 Cb 1.08 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.14 1b40 h GLU 62 CO 0.95 0.34 0.35 -1.59 0.07 0.00 0.00 179.01 179.13 1b40 s LYS 63 N -3.00 0.89 0.15 1.06 0.00 -1.21 -4.86 119.74 112.77 1b40 s LYS 63 Ca 0.01 0.09 -0.09 0.00 0.00 0.00 0.00 55.97 55.97 1b40 s LYS 63 Cb 0.08 0.42 -0.00 0.00 0.00 0.00 0.00 37.83 38.32 1b40 s LYS 63 CO 0.77 -0.30 0.27 1.67 0.00 0.00 0.00 175.35 177.76 1b40 s TRP 64 N -1.62 0.31 0.17 1.78 -2.14 -1.26 -0.64 118.94 115.54 1b40 s TRP 64 Ca -0.05 -0.69 -0.01 0.00 2.66 0.00 0.00 56.10 58.01 1b40 s TRP 64 Cb -0.00 -0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.29 1b40 s TRP 64 CO 0.03 -0.68 0.11 -1.21 -2.66 0.00 0.00 176.95 172.54 1b40 s GLU 65 N -3.94 1.09 0.05 3.25 8.01 -0.42 -4.99 118.70 121.76 1b40 s GLU 65 Ca 0.14 -1.53 0.02 0.00 0.01 0.00 0.00 54.97 53.60 1b40 s GLU 65 Cb 0.04 0.27 -0.03 0.00 -4.31 0.00 0.00 34.13 30.09 1b40 s GLU 65 CO -0.03 -0.34 -0.06 0.54 0.01 0.00 0.00 175.26 175.37 1b40 s ASN 66 N -3.11 0.78 -0.28 -0.19 2.20 -1.26 -0.47 114.94 112.61 1b40 s ASN 66 Ca 0.32 -0.65 0.03 0.00 -0.94 0.00 0.00 52.86 51.62 1b40 s ASN 66 Cb 0.07 0.07 0.07 0.00 -2.00 0.00 0.00 41.25 39.46 1b40 s ASN 66 CO 0.07 -0.29 -0.06 -0.75 -2.94 0.00 0.00 177.10 173.14 1b40 s LYS 67 N -2.09 1.94 -1.86 3.55 2.20 0.35 -4.66 119.74 119.17 1b40 s LYS 67 Ca -0.06 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.08 1b40 s LYS 67 Cb -0.06 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1b40 s LYS 67 CO -0.01 -0.68 0.00 -0.25 -0.36 0.00 0.00 175.35 174.04 1b40 n ASP 68 N 4.41 -5.24 -1.93 1.43 8.00 -1.26 -1.46 116.55 120.49 1b40 n ASP 68 Ca -0.09 0.35 -0.20 0.00 0.71 0.00 0.00 54.79 55.57 1b40 n ASP 68 Cb 0.42 -4.34 -0.04 0.00 -0.02 0.00 0.00 41.12 37.14 1b40 n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1b40 n PHE 69 N -2.82 -0.54 0.00 1.24 3.72 -1.26 -4.60 117.46 113.20 1b40 n PHE 69 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1b40 n PHE 69 Cb 0.62 -3.60 0.00 0.00 -0.94 0.00 0.00 39.48 35.56 1b40 n PHE 69 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1b40 n LYS 70 N -2.70 2.41 -4.08 -1.08 5.02 -0.54 -1.47 118.16 115.73 1b40 n LYS 70 Ca -0.22 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.75 1b40 n LYS 70 Cb 0.66 -0.85 -0.16 0.00 -0.02 0.00 0.00 35.03 34.67 1b40 n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1b40 s VAL 71 N -1.70 1.94 -0.17 -0.18 1.01 -1.02 -0.04 120.40 120.24 1b40 s VAL 71 Ca 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1b40 s VAL 71 Cb 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1b40 s VAL 71 CO 0.00 0.40 -0.09 0.26 0.00 0.00 0.00 175.10 175.67 1b40 s TRP 72 N 1.31 2.89 -0.17 5.22 0.52 0.12 -0.49 118.94 128.34 1b40 s TRP 72 Ca 0.02 -0.80 -0.01 0.00 0.02 0.00 0.00 56.10 55.33 1b40 s TRP 72 Cb -0.14 -1.97 -0.00 0.00 -1.15 0.00 0.00 33.47 30.21 1b40 s TRP 72 CO -0.11 -0.37 -0.12 0.99 0.02 0.00 0.00 176.95 177.36 1b40 s THR 73 N 0.87 2.88 -0.22 2.01 2.01 0.38 -0.40 115.64 123.18 1b40 s THR 73 Ca -0.02 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 1b40 s THR 73 Cb -0.15 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1b40 s THR 73 CO 0.00 0.49 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.06 1b40 s PHE 74 N 0.94 3.01 -0.46 4.92 0.08 0.08 -1.31 117.98 125.24 1b40 s PHE 74 Ca -0.02 -0.69 -0.20 0.00 0.12 0.00 0.00 56.93 56.13 1b40 s PHE 74 Cb -0.15 -2.13 0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1b40 s PHE 74 CO -0.01 -0.43 0.66 -1.01 -0.10 0.00 0.00 175.22 174.33 1b40 s HIS 75 N 1.40 3.04 -0.01 0.36 3.76 0.19 -1.40 115.29 122.63 1b40 s HIS 75 Ca 0.05 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.48 1b40 s HIS 75 Cb -0.15 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 30.08 1b40 s HIS 75 CO -0.00 -0.94 1.05 -0.51 -0.85 0.00 0.00 174.74 173.48 1b40 s LEU 76 N 2.84 4.34 0.43 0.89 1.43 -0.20 -0.61 118.68 127.81 1b40 s LEU 76 Ca 0.21 1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 54.79 1b40 s LEU 76 Cb -0.15 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 1b40 s LEU 76 CO 0.17 -0.36 1.24 -2.11 0.23 0.00 0.00 176.35 175.52 1b40 n ARG 77 N 4.18 1.83 0.17 1.70 1.85 -0.26 -4.81 116.66 121.33 1b40 n ARG 77 Ca 0.07 0.65 0.03 0.00 -1.00 0.00 0.00 57.85 57.60 1b40 n ARG 77 Cb 0.49 -2.36 0.31 0.00 -1.05 0.00 0.00 32.46 29.86 1b40 n ARG 77 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1b40 h GLU 78 N 1.95 0.00 -0.37 2.89 5.08 -1.94 -3.13 114.58 119.05 1b40 h GLU 78 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1b40 h GLU 78 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1b40 h GLU 78 CO 0.59 0.44 0.00 0.27 -1.00 0.00 0.00 179.01 179.31 1b40 n ASN 79 N -3.80 2.24 -4.67 1.42 6.94 -1.26 -4.90 115.26 111.22 1b40 n ASN 79 Ca -0.01 -1.93 -0.42 0.00 -0.02 0.00 0.00 54.58 52.19 1b40 n ASN 79 Cb 0.50 -0.25 -0.03 0.00 -2.36 0.00 0.00 39.78 37.64 1b40 n ASN 79 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b40 s ALA 80 N -1.51 3.64 0.16 -2.53 0.00 -1.19 -4.53 121.76 115.80 1b40 s ALA 80 Ca 0.30 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.57 1b40 s ALA 80 Cb 0.16 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1b40 s ALA 80 CO 0.22 -1.42 -0.06 0.15 0.00 0.00 0.00 175.76 174.64 1b40 s LYS 81 N 3.85 1.09 0.49 0.00 1.02 -1.26 -0.62 119.74 124.30 1b40 s LYS 81 Ca 0.83 -1.49 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1b40 s LYS 81 Cb -0.41 -0.51 0.01 0.00 -0.52 0.00 0.00 37.83 36.39 1b40 s LYS 81 CO 0.37 -0.00 0.71 -1.58 -0.92 0.00 0.00 175.35 173.93 1b40 s TRP 82 N -3.44 3.08 0.48 3.18 0.52 -0.29 -4.56 118.94 117.92 1b40 s TRP 82 Ca 0.20 0.13 0.39 0.00 0.02 0.00 0.00 56.10 56.83 1b40 s TRP 82 Cb 0.04 -2.48 1.99 0.00 -1.15 0.00 0.00 33.47 31.88 1b40 s TRP 82 CO 0.02 -0.55 2.23 0.66 0.02 0.00 0.00 176.95 179.33 1b40 h SER 83 N 0.29 0.00 0.01 2.95 4.64 -0.93 0.16 113.55 120.67 1b40 h SER 83 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1b40 h SER 83 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1b40 h SER 83 CO 0.55 0.02 -0.01 -0.90 -0.87 0.00 0.00 176.83 175.62 1b40 n ASP 84 N -3.20 0.96 0.00 4.97 5.68 -1.26 -4.86 116.55 118.83 1b40 n ASP 84 Ca -0.02 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1b40 n ASP 84 Cb 0.16 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1b40 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b40 n GLY 85 N 1.12 0.95 3.84 6.12 0.00 0.57 -5.05 105.19 112.74 1b40 n GLY 85 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1b40 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b40 s THR 86 N -2.94 4.67 0.59 2.61 -4.23 -1.25 -4.75 115.64 110.34 1b40 s THR 86 Ca 0.00 1.04 -0.20 0.00 -1.18 0.00 0.00 61.69 61.35 1b40 s THR 86 Cb 0.00 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 1b40 s THR 86 CO 0.00 0.03 1.30 -2.84 -0.54 0.00 0.00 174.62 172.56 1b40 s PRO 87 N -2.46 2.89 -0.09 3.99 0.02 -1.26 -1.14 135.00 136.95 1b40 s PRO 87 Ca 0.47 2.07 -0.22 0.00 0.02 0.00 0.00 61.00 63.35 1b40 s PRO 87 Cb -0.13 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 1b40 s PRO 87 CO 0.19 -1.34 0.65 0.08 -0.33 0.00 0.00 177.00 176.25 1b40 s VAL 88 N -1.40 5.08 0.35 3.83 1.01 0.20 -4.71 120.40 124.77 1b40 s VAL 88 Ca 0.77 1.32 0.03 0.00 0.00 0.00 0.00 61.98 64.10 1b40 s VAL 88 Cb -0.37 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1b40 s VAL 88 CO 0.41 0.26 0.09 0.42 0.00 0.00 0.00 175.10 176.28 1b40 s THR 89 N 0.82 0.90 0.52 3.92 -4.23 -1.26 -4.82 115.64 111.49 1b40 s THR 89 Ca 0.34 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.02 1b40 s THR 89 Cb -0.17 -2.60 0.27 0.00 1.34 0.00 0.00 72.50 71.35 1b40 s THR 89 CO 0.16 0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.39 1b40 h ALA 90 N 2.00 1.99 -0.17 3.99 0.00 -1.00 -0.13 119.26 125.94 1b40 h ALA 90 Ca -0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1b40 h ALA 90 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1b40 h ALA 90 CO 0.64 -0.01 0.07 0.45 0.00 0.00 0.00 179.25 180.40 1b40 h HIS 91 N 0.00 0.23 0.01 0.00 3.86 -1.83 -1.37 115.15 116.05 1b40 h HIS 91 Ca 0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1b40 h HIS 91 Cb 0.01 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1b40 h HIS 91 CO 0.00 0.18 -0.01 -0.44 0.86 0.00 0.00 177.93 178.53 1b40 h ASP 92 N 0.24 -0.02 -1.00 2.45 3.32 -1.39 -1.80 116.42 118.22 1b40 h ASP 92 Ca 0.06 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1b40 h ASP 92 Cb 0.05 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1b40 h ASP 92 CO -0.01 0.10 0.66 -0.26 -1.72 0.00 0.00 179.24 178.01 1b40 h PHE 93 N -0.13 1.26 -0.07 4.55 0.04 -1.44 0.14 116.94 121.30 1b40 h PHE 93 Ca -0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1b40 h PHE 93 Cb 0.12 -0.43 -0.00 0.00 2.20 0.00 0.00 35.95 37.84 1b40 h PHE 93 CO -0.04 0.80 0.02 0.28 -0.60 0.00 0.00 178.31 178.76 1b40 h VAL 94 N 1.36 1.19 -0.32 -0.55 2.07 -1.07 -1.27 116.25 117.66 1b40 h VAL 94 Ca 0.37 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1b40 h VAL 94 Cb -0.16 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1b40 h VAL 94 CO -0.08 0.16 0.20 0.22 0.02 0.00 0.00 177.57 178.10 1b40 h TYR 95 N -0.11 0.42 -0.23 1.57 3.20 -1.08 -2.04 116.97 118.70 1b40 h TYR 95 Ca 0.02 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1b40 h TYR 95 Cb 0.24 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1b40 h TYR 95 CO 0.00 0.29 0.04 0.77 -1.64 0.00 0.00 178.16 177.62 1b40 h SER 96 N 0.43 0.37 0.38 -2.11 0.02 -0.50 -0.55 113.55 111.58 1b40 h SER 96 Ca 0.12 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 1b40 h SER 96 Cb -0.02 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1b40 h SER 96 CO -0.02 0.53 -0.40 -0.50 -1.14 0.00 0.00 176.83 175.30 1b40 h TRP 97 N 0.19 0.04 -0.30 3.45 4.06 -1.25 -0.17 115.95 121.97 1b40 h TRP 97 Ca 0.07 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 1b40 h TRP 97 Cb 0.32 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1b40 h TRP 97 CO 0.02 0.44 0.15 1.96 -3.56 0.00 0.00 178.44 177.45 1b40 h GLN 98 N 0.03 0.42 -0.26 0.49 4.20 -1.15 -0.10 115.11 118.74 1b40 h GLN 98 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1b40 h GLN 98 Cb 0.73 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1b40 h GLN 98 CO 0.05 0.38 0.06 -0.09 -0.67 0.00 0.00 178.83 178.56 1b40 h ARG 99 N 0.35 0.38 -0.17 1.46 2.43 0.07 -1.18 114.38 117.73 1b40 h ARG 99 Ca 0.10 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1b40 h ARG 99 Cb 0.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1b40 h ARG 99 CO -0.02 0.35 -0.52 1.25 -1.51 0.00 0.00 179.97 179.53 1b40 h LEU 100 N 0.37 0.74 -0.71 3.80 5.85 -0.71 -3.13 115.31 121.53 1b40 h LEU 100 Ca 0.09 -0.59 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 1b40 h LEU 100 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1b40 h LEU 100 CO -0.00 1.21 -0.05 0.00 -0.34 0.00 0.00 178.44 179.25 1b40 h ALA 101 N 0.55 0.91 -2.22 1.25 0.00 -0.70 -3.42 119.26 115.64 1b40 h ALA 101 Ca -0.02 -0.32 -0.57 0.00 0.00 0.00 0.00 54.91 54.01 1b40 h ALA 101 Cb 1.14 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.75 1b40 h ALA 101 CO 0.11 0.64 1.16 -3.47 0.00 0.00 0.00 179.25 177.69 1b40 n ASP 102 N -4.17 3.82 0.16 0.00 -0.08 -0.47 -4.37 116.55 111.43 1b40 n ASP 102 Ca 0.02 0.94 0.19 0.00 -1.51 0.00 0.00 54.79 54.43 1b40 n ASP 102 Cb 0.36 -1.46 0.79 0.00 2.34 0.00 0.00 41.12 43.15 1b40 n ASP 102 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1b40 h PRO 103 N 9.73 0.00 0.00 -0.67 0.13 -1.84 0.21 132.00 139.56 1b40 h PRO 103 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1b40 h PRO 103 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1b40 h PRO 103 CO 0.94 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.80 1b40 h ASN 104 N 0.00 0.00 0.57 1.44 -0.26 -1.93 -1.85 115.58 113.55 1b40 h ASN 104 Ca 0.13 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.71 1b40 h ASN 104 Cb 0.77 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 1b40 h ASN 104 CO -0.00 0.00 -0.75 0.74 -1.06 0.00 0.00 177.43 176.36 1b40 h THR 105 N 0.00 1.47 -5.97 2.81 2.02 -0.81 -3.47 112.91 108.96 1b40 h THR 105 Ca 0.00 -2.40 -0.40 0.00 0.77 0.00 0.00 66.41 64.38 1b40 h THR 105 Cb 0.59 2.30 0.08 0.00 -1.74 0.00 0.00 68.15 69.38 1b40 h THR 105 CO 0.00 0.70 -0.79 0.00 0.37 0.00 0.00 175.52 175.80 1b40 n ALA 106 N -2.44 -1.85 -1.92 6.16 0.00 -0.70 -4.88 120.51 114.88 1b40 n ALA 106 Ca -0.02 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1b40 n ALA 106 Cb 0.72 -2.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 1b40 n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1b40 s SER 107 N -4.12 7.05 0.54 0.00 0.15 -1.26 -4.89 113.70 111.17 1b40 s SER 107 Ca 0.15 2.34 0.35 0.00 0.70 0.00 0.00 55.95 59.50 1b40 s SER 107 Cb -0.07 -2.62 1.68 0.00 -1.71 0.00 0.00 66.02 63.30 1b40 s SER 107 CO 0.78 -0.36 2.06 1.55 1.20 0.00 0.00 173.24 178.47 1b40 h PRO 108 N 4.60 0.00 -0.60 5.44 0.13 -1.88 -1.39 132.00 138.31 1b40 h PRO 108 Ca -0.46 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.37 1b40 h PRO 108 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1b40 h PRO 108 CO 0.72 0.00 0.19 0.66 -0.23 0.00 0.00 178.00 179.34 1b40 n TYR 109 N -2.92 1.84 -0.12 1.56 4.01 -1.26 -4.09 117.16 116.17 1b40 n TYR 109 Ca -0.01 -1.70 0.01 0.00 -0.16 0.00 0.00 57.90 56.04 1b40 n TYR 109 Cb 0.19 -0.66 0.28 0.00 -0.31 0.00 0.00 39.34 38.84 1b40 n TYR 109 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b40 h ALA 110 N 1.02 1.45 0.00 -0.72 0.00 -1.49 -1.35 119.26 118.18 1b40 h ALA 110 Ca 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1b40 h ALA 110 Cb 2.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1b40 h ALA 110 CO 0.66 0.45 0.00 0.43 0.00 0.00 0.00 179.25 180.79 1b40 n SER 111 N -4.39 0.09 -0.01 0.00 7.64 -1.26 -2.75 113.62 112.95 1b40 n SER 111 Ca 0.05 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.59 1b40 n SER 111 Cb 0.10 -0.55 0.56 0.00 -1.01 0.00 0.00 64.21 63.31 1b40 n SER 111 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1b40 h TYR 112 N 0.00 0.28 0.01 1.43 3.20 -1.61 0.20 116.97 120.48 1b40 h TYR 112 Ca 0.00 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.69 1b40 h TYR 112 Cb 0.11 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1b40 h TYR 112 CO 0.00 0.14 -0.86 -0.07 -1.64 0.00 0.00 178.16 175.72 1b40 h LEU 113 N 0.27 0.11 -0.89 2.82 3.38 -1.74 -2.07 115.31 117.18 1b40 h LEU 113 Ca 0.22 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1b40 h LEU 113 Cb 0.52 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1b40 h LEU 113 CO -0.05 0.92 0.25 1.56 0.09 0.00 0.00 178.44 181.21 1b40 h GLN 114 N 0.04 1.06 -0.38 1.13 4.20 -1.22 0.71 115.11 120.65 1b40 h GLN 114 Ca -0.03 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 1b40 h GLN 114 Cb 1.51 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.10 1b40 h GLN 114 CO 0.12 0.88 0.03 1.88 -0.67 0.00 0.00 178.83 181.08 1b40 h TYR 115 N 1.03 0.61 0.00 2.96 0.05 -0.53 -1.22 116.97 119.88 1b40 h TYR 115 Ca 0.23 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1b40 h TYR 115 Cb 0.25 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1b40 h TYR 115 CO 0.02 0.57 -0.12 0.78 -1.05 0.00 0.00 178.16 178.36 1b40 h GLY 116 N 0.86 0.00 -4.61 3.88 0.00 -0.89 -3.48 103.07 98.83 1b40 h GLY 116 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.17 1b40 h GLY 116 CO 0.01 0.00 -0.52 1.42 0.00 0.00 0.00 176.54 177.45 1b40 n HIS 117 N -2.28 -2.05 -2.01 5.60 8.25 0.19 -4.86 115.22 118.07 1b40 n HIS 117 Ca 0.05 0.74 -0.41 0.00 -0.26 0.00 0.00 57.72 57.84 1b40 n HIS 117 Cb 0.44 -4.05 -0.02 0.00 1.12 0.00 0.00 29.99 27.48 1b40 n HIS 117 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1b40 s ILE 118 N -3.24 2.60 0.29 1.59 1.09 -0.90 -1.09 121.20 121.53 1b40 s ILE 118 Ca 0.36 0.53 -0.29 0.00 -1.10 0.00 0.00 60.65 60.14 1b40 s ILE 118 Cb -0.16 -3.34 -0.13 0.00 -1.06 0.00 0.00 42.46 37.77 1b40 s ILE 118 CO 0.54 0.10 1.23 0.00 -0.10 0.00 0.00 174.94 176.70 1b40 n ALA 119 N 1.85 0.62 -0.98 9.38 0.00 -0.52 -2.63 120.51 128.22 1b40 n ALA 119 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1b40 n ALA 119 Cb 0.40 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1b40 n ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1b40 n ASN 120 N 1.36 -4.66 -0.23 0.00 3.02 -1.26 -1.41 115.26 112.09 1b40 n ASN 120 Ca 0.09 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.58 1b40 n ASN 120 Cb 0.33 -2.37 0.09 0.00 -0.61 0.00 0.00 39.78 37.21 1b40 n ASN 120 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1b40 h ILE 121 N 0.00 1.25 -0.93 2.41 6.09 -1.88 -2.24 117.51 122.21 1b40 h ILE 121 Ca 0.00 -0.91 0.04 0.00 -1.37 0.00 0.00 64.86 62.62 1b40 h ILE 121 Cb 0.60 0.53 -0.06 0.00 0.47 0.00 0.00 36.82 38.37 1b40 h ILE 121 CO 0.00 0.35 0.60 0.44 -3.07 0.00 0.00 178.15 176.48 1b40 h ASP 122 N 1.03 1.00 1.25 2.19 3.32 -1.91 0.09 116.42 123.38 1b40 h ASP 122 Ca 0.22 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1b40 h ASP 122 Cb 0.33 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1b40 h ASP 122 CO -0.00 0.67 -0.47 0.44 -1.72 0.00 0.00 179.24 178.17 1b40 h ASP 123 N 1.16 0.00 -0.10 6.45 3.32 -1.86 -2.54 116.42 122.86 1b40 h ASP 123 Ca 0.38 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 1b40 h ASP 123 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1b40 h ASP 123 CO -0.13 0.47 -0.15 0.40 -1.72 0.00 0.00 179.24 178.10 1b40 h ILE 124 N 0.00 1.39 -0.67 0.35 2.04 -0.96 -0.29 117.51 119.36 1b40 h ILE 124 Ca -0.00 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 1b40 h ILE 124 Cb 1.22 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 1b40 h ILE 124 CO 0.06 0.40 0.40 0.40 0.00 0.00 0.00 178.15 179.41 1b40 h ILE 125 N -0.16 1.20 0.00 -0.67 2.04 -0.89 -2.32 117.51 116.70 1b40 h ILE 125 Ca 0.01 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1b40 h ILE 125 Cb 0.72 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1b40 h ILE 125 CO 0.04 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.39 1b40 n ALA 126 N -2.31 1.39 -0.44 1.87 0.00 -0.96 -4.71 120.51 115.34 1b40 n ALA 126 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1b40 n ALA 126 Cb 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1b40 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b40 n GLY 127 N -0.59 1.17 0.11 0.00 0.00 -0.79 -4.91 105.19 100.18 1b40 n GLY 127 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 1b40 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b40 h LYS 128 N 3.40 0.13 -5.16 1.61 1.79 -1.33 -3.45 116.57 113.57 1b40 h LYS 128 Ca 0.00 -0.15 -0.44 0.00 -2.18 0.00 0.00 60.65 57.88 1b40 h LYS 128 Cb 0.00 0.04 -0.27 0.00 -1.58 0.00 0.00 32.23 30.43 1b40 h LYS 128 CO 0.00 0.92 -0.79 0.15 -1.08 0.00 0.00 179.45 178.65 1b40 s LYS 129 N -3.16 0.94 0.79 3.15 1.02 -0.93 -4.98 119.74 116.57 1b40 s LYS 129 Ca -0.02 -0.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.26 1b40 s LYS 129 Cb 0.10 -0.92 0.07 0.00 -0.52 0.00 0.00 37.83 36.57 1b40 s LYS 129 CO 0.82 0.24 1.15 -1.25 -0.92 0.00 0.00 175.35 175.39 1b40 s PRO 130 N -0.72 1.86 0.42 -1.68 0.04 -1.26 -4.11 135.00 129.55 1b40 s PRO 130 Ca 0.03 1.53 0.21 0.00 0.04 0.00 0.00 61.00 62.81 1b40 s PRO 130 Cb -0.06 -1.82 0.91 0.00 0.04 0.00 0.00 34.50 33.56 1b40 s PRO 130 CO 0.00 -2.00 1.84 0.00 0.04 0.00 0.00 177.00 176.88 1b40 h ALA 131 N -0.96 1.09 0.00 8.56 0.00 -1.92 -2.45 119.26 123.58 1b40 h ALA 131 Ca -0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1b40 h ALA 131 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1b40 h ALA 131 CO 0.48 0.35 0.00 0.25 0.00 0.00 0.00 179.25 180.33 1b40 n THR 132 N -3.56 0.93 1.56 0.00 -2.24 -1.26 -1.16 114.28 108.55 1b40 n THR 132 Ca -0.01 0.46 0.15 0.00 -2.27 0.00 0.00 64.05 62.38 1b40 n THR 132 Cb 0.42 -1.42 0.76 0.00 -2.10 0.00 0.00 70.33 68.00 1b40 n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1b40 n ASP 133 N -2.24 0.15 -4.61 3.42 9.92 -0.92 -4.94 116.55 117.31 1b40 n ASP 133 Ca 0.01 -0.48 -0.43 0.00 -0.53 0.00 0.00 54.79 53.36 1b40 n ASP 133 Cb 0.14 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1b40 n ASP 133 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1b40 n LEU 134 N -1.11 2.41 -3.07 0.64 7.94 -0.30 -4.77 117.00 118.74 1b40 n LEU 134 Ca 0.17 1.10 -0.22 0.00 -1.11 0.00 0.00 56.01 55.95 1b40 n LEU 134 Cb 0.22 -1.35 -0.03 0.00 0.53 0.00 0.00 43.42 42.80 1b40 n LEU 134 CO 0.22 -1.35 2.36 0.61 -1.11 0.00 0.00 177.39 178.12 1b40 n GLY 135 N 1.15 3.16 3.06 -3.96 0.00 -0.50 -4.80 105.19 103.29 1b40 n GLY 135 Ca 0.09 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 1b40 n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b40 s VAL 136 N 3.04 0.89 -0.03 1.61 -7.23 -1.26 -1.03 120.40 116.38 1b40 s VAL 136 Ca 0.44 -0.47 -0.12 0.00 -1.81 0.00 0.00 61.98 60.01 1b40 s VAL 136 Cb 0.12 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 36.34 1b40 s VAL 136 CO -0.03 0.25 0.27 -1.59 -0.31 0.00 0.00 175.10 173.69 1b40 s LYS 137 N -0.22 0.55 -0.34 4.82 -2.85 -0.06 -4.99 119.74 116.64 1b40 s LYS 137 Ca 0.04 -0.09 -0.23 0.00 -1.00 0.00 0.00 55.97 54.68 1b40 s LYS 137 Cb -0.05 0.24 0.01 0.00 -2.06 0.00 0.00 37.83 35.97 1b40 s LYS 137 CO -0.00 -0.13 0.78 0.00 0.10 0.00 0.00 175.35 176.09 1b40 s ALA 138 N -0.98 3.46 0.06 0.59 0.00 -1.26 -0.86 121.76 122.77 1b40 s ALA 138 Ca -0.11 -0.58 0.17 0.00 0.00 0.00 0.00 51.96 51.44 1b40 s ALA 138 Cb -0.05 -3.33 0.43 0.00 0.00 0.00 0.00 23.12 20.17 1b40 s ALA 138 CO 0.03 -1.38 1.61 -0.07 0.00 0.00 0.00 175.76 175.95 1b40 h LEU 139 N 9.62 0.00 0.00 0.00 3.38 -1.05 -3.47 115.31 123.79 1b40 h LEU 139 Ca -0.25 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1b40 h LEU 139 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1b40 h LEU 139 CO 0.90 0.45 0.34 -0.90 0.09 0.00 0.00 178.44 179.32 1b40 n ASP 140 N -3.42 -1.48 0.17 -0.43 5.68 -1.22 -4.97 116.55 110.89 1b40 n ASP 140 Ca 0.01 -1.90 0.16 0.00 -0.50 0.00 0.00 54.79 52.56 1b40 n ASP 140 Cb 0.61 2.43 0.77 0.00 -1.14 0.00 0.00 41.12 43.79 1b40 n ASP 140 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1b40 h ASP 141 N 1.47 0.00 0.00 -1.12 5.19 -1.99 -2.91 116.42 117.06 1b40 h ASP 141 Ca -0.22 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 1b40 h ASP 141 Cb 0.90 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 1b40 h ASP 141 CO 0.29 0.00 -0.48 1.41 -3.12 0.00 0.00 179.24 177.34 1b40 n HIS 142 N -4.04 0.00 -3.60 4.55 8.25 -1.26 -0.52 115.22 118.60 1b40 n HIS 142 Ca 0.02 -1.43 -0.15 0.00 -0.26 0.00 0.00 57.72 55.90 1b40 n HIS 142 Cb 0.34 -0.24 -0.13 0.00 1.12 0.00 0.00 29.99 31.08 1b40 n HIS 142 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1b40 s THR 143 N -3.11 -0.37 -0.16 1.59 2.01 -1.10 -1.03 115.64 113.46 1b40 s THR 143 Ca 0.37 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.52 1b40 s THR 143 Cb 0.36 -0.51 -0.00 0.00 0.01 0.00 0.00 72.50 72.36 1b40 s THR 143 CO -0.07 0.01 -0.13 0.12 -0.69 0.00 0.00 174.62 173.86 1b40 s PHE 144 N 2.38 2.82 -0.09 4.92 5.36 -0.49 -0.33 117.98 132.54 1b40 s PHE 144 Ca 0.04 -1.01 0.02 0.00 -0.96 0.00 0.00 56.93 55.02 1b40 s PHE 144 Cb -0.13 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.61 1b40 s PHE 144 CO -0.10 -0.47 -0.15 -2.00 -1.46 0.00 0.00 175.22 171.04 1b40 s GLU 145 N 0.89 2.97 -0.07 10.12 2.12 -0.04 -0.74 118.70 133.96 1b40 s GLU 145 Ca -0.03 -0.72 0.05 0.00 0.36 0.00 0.00 54.97 54.63 1b40 s GLU 145 Cb -0.15 -2.48 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 1b40 s GLU 145 CO -0.01 0.38 -0.24 0.08 -0.54 0.00 0.00 175.26 174.93 1b40 s VAL 146 N -0.09 1.97 -0.22 3.70 1.01 0.47 -0.89 120.40 126.35 1b40 s VAL 146 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1b40 s VAL 146 Cb -0.14 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1b40 s VAL 146 CO 0.04 0.55 -0.12 -0.89 0.00 0.00 0.00 175.10 174.67 1b40 s THR 147 N 0.01 2.55 0.26 3.92 2.01 -0.20 0.15 115.64 124.34 1b40 s THR 147 Ca -0.08 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 1b40 s THR 147 Cb -0.15 -2.21 -0.06 0.00 0.01 0.00 0.00 72.50 70.10 1b40 s THR 147 CO 0.05 0.35 0.55 -0.76 -0.69 0.00 0.00 174.62 174.12 1b40 s LEU 148 N 1.31 4.10 0.17 4.42 1.43 0.94 -1.44 118.68 129.61 1b40 s LEU 148 Ca 0.02 0.81 0.24 0.00 -1.03 0.00 0.00 54.13 54.17 1b40 s LEU 148 Cb -0.15 -3.60 0.91 0.00 0.03 0.00 0.00 46.19 43.37 1b40 s LEU 148 CO -0.08 -0.14 1.73 -1.54 0.23 0.00 0.00 176.35 176.55 1b40 n SER 149 N -0.58 0.54 -3.53 2.29 3.41 -0.25 -4.75 113.62 110.74 1b40 n SER 149 Ca -0.01 0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1b40 n SER 149 Cb 0.53 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 1b40 n SER 149 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1b40 s GLU 150 N -3.16 1.16 0.19 4.33 -1.05 -1.26 -5.09 118.70 113.82 1b40 s GLU 150 Ca 0.08 -0.55 -0.32 0.00 -0.15 0.00 0.00 54.97 54.03 1b40 s GLU 150 Cb 0.12 0.52 -0.12 0.00 -0.44 0.00 0.00 34.13 34.21 1b40 s GLU 150 CO 0.47 -0.47 1.72 -2.30 0.95 0.00 0.00 175.26 175.63 1b40 n PRO 151 N -0.22 2.72 -3.59 -4.83 -0.02 -1.26 -4.69 135.00 123.10 1b40 n PRO 151 Ca -0.17 0.98 -0.29 0.00 -2.02 0.00 0.00 63.50 62.00 1b40 n PRO 151 Cb 0.64 -2.83 -0.13 0.00 -0.02 0.00 0.00 33.50 31.16 1b40 n PRO 151 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1b40 s VAL 152 N 1.33 0.70 0.44 -1.45 1.01 -0.54 -4.91 120.40 116.97 1b40 s VAL 152 Ca 0.76 -1.96 0.14 0.00 0.00 0.00 0.00 61.98 60.92 1b40 s VAL 152 Cb -0.52 -1.50 0.18 0.00 0.00 0.00 0.00 36.38 34.54 1b40 s VAL 152 CO 0.33 -0.91 1.98 -0.65 0.00 0.00 0.00 175.10 175.86 1b40 h PRO 153 N 7.09 0.04 -0.38 2.72 0.11 -1.94 -2.20 132.00 137.45 1b40 h PRO 153 Ca -0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1b40 h PRO 153 Cb 0.96 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1b40 h PRO 153 CO 0.38 0.21 0.00 2.48 -0.21 0.00 0.00 178.00 180.86 1b40 n TYR 154 N -4.32 0.50 -0.20 0.65 0.18 -1.26 -4.65 117.16 108.06 1b40 n TYR 154 Ca -0.02 -0.25 -0.04 0.00 1.88 0.00 0.00 57.90 59.47 1b40 n TYR 154 Cb 0.24 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.23 1b40 n TYR 154 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1b40 h PHE 155 N 2.65 -0.78 -0.24 -3.48 3.57 -1.78 -0.91 116.94 115.97 1b40 h PHE 155 Ca 0.00 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1b40 h PHE 155 Cb 0.60 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1b40 h PHE 155 CO 0.25 -0.36 0.30 0.10 -2.23 0.00 0.00 178.31 176.37 1b40 h TYR 156 N -0.13 0.00 0.00 0.41 -0.00 -1.84 -1.64 116.97 113.76 1b40 h TYR 156 Ca 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.94 1b40 h TYR 156 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.26 1b40 h TYR 156 CO -0.60 0.00 -0.17 0.87 -0.00 0.00 0.00 178.16 178.26 1b40 h LYS 157 N 0.00 0.00 0.00 0.10 1.57 -1.53 -2.68 116.57 114.04 1b40 h LYS 157 Ca 0.12 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1b40 h LYS 157 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1b40 h LYS 157 CO -0.00 0.17 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.79 1b40 h LEU 158 N 0.00 0.00 0.00 2.94 4.07 -1.41 -3.29 115.31 117.63 1b40 h LEU 158 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1b40 h LEU 158 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1b40 h LEU 158 CO 0.02 0.19 0.00 0.18 -1.08 0.00 0.00 178.44 177.75 1b40 n LEU 159 N -3.58 0.00 0.02 1.67 4.77 -1.01 -2.61 117.00 116.26 1b40 n LEU 159 Ca -0.01 0.49 0.14 0.00 -0.03 0.00 0.00 56.01 56.59 1b40 n LEU 159 Cb 0.33 -0.49 0.55 0.00 -2.33 0.00 0.00 43.42 41.48 1b40 n LEU 159 CO 0.32 -0.28 0.91 1.33 -1.33 0.00 0.00 177.39 178.33 1b40 n VAL 160 N -1.49 0.12 -2.40 4.08 0.24 -1.24 -4.20 118.33 113.45 1b40 n VAL 160 Ca 0.03 -0.06 -0.38 0.00 -2.04 0.00 0.00 64.34 61.89 1b40 n VAL 160 Cb 0.14 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.01 1b40 n VAL 160 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1b40 s HIS 161 N -3.02 3.22 0.50 6.34 5.04 -1.07 -4.91 115.29 121.38 1b40 s HIS 161 Ca 0.13 1.61 0.19 0.00 -1.54 0.00 0.00 55.06 55.44 1b40 s HIS 161 Cb 0.17 -3.30 1.23 0.00 0.04 0.00 0.00 32.58 30.73 1b40 s HIS 161 CO 0.56 -0.98 2.04 -1.35 -2.34 0.00 0.00 174.74 172.67 1b40 h PRO 162 N 2.84 0.14 0.00 2.88 0.11 -1.91 -2.49 132.00 133.56 1b40 h PRO 162 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1b40 h PRO 162 Cb 1.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b40 h PRO 162 CO 0.63 0.09 -0.04 0.66 -0.21 0.00 0.00 178.00 179.13 1b40 h SER 163 N 0.14 0.00 -0.37 -2.05 4.64 -1.92 -1.69 113.55 112.30 1b40 h SER 163 Ca 0.19 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1b40 h SER 163 Cb 0.56 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1b40 h SER 163 CO -0.02 0.04 0.03 1.33 -0.87 0.00 0.00 176.83 177.33 1b40 n VAL 164 N -3.29 2.46 -3.11 0.95 0.24 -0.94 -4.77 118.33 109.87 1b40 n VAL 164 Ca -0.02 -1.94 -0.35 0.00 -2.04 0.00 0.00 64.34 59.99 1b40 n VAL 164 Cb 0.19 -0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 32.22 1b40 n VAL 164 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1b40 s SER 165 N -1.81 6.99 0.41 -1.34 0.01 -0.64 -4.59 113.70 112.73 1b40 s SER 165 Ca 0.45 1.39 -0.24 0.00 1.31 0.00 0.00 55.95 58.86 1b40 s SER 165 Cb 0.37 -2.41 -0.09 0.00 0.21 0.00 0.00 66.02 64.11 1b40 s SER 165 CO 0.09 -0.02 1.08 -2.16 0.41 0.00 0.00 173.24 172.64 1b40 s PRO 166 N -2.20 4.09 0.05 12.44 0.04 -1.26 -4.88 135.00 143.28 1b40 s PRO 166 Ca 0.46 1.60 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1b40 s PRO 166 Cb -0.15 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 1b40 s PRO 166 CO 0.20 -0.22 -0.23 0.14 0.04 0.00 0.00 177.00 176.93 1b40 s VAL 167 N -1.60 1.89 -0.61 -0.36 -7.23 -1.26 -4.84 120.40 106.37 1b40 s VAL 167 Ca 0.58 -1.33 -0.23 0.00 -1.81 0.00 0.00 61.98 59.20 1b40 s VAL 167 Cb -0.24 -1.63 0.06 0.00 0.56 0.00 0.00 36.38 35.12 1b40 s VAL 167 CO 0.30 0.24 0.93 -2.16 -0.31 0.00 0.00 175.10 174.11 1b40 s PRO 168 N -1.31 3.18 0.27 4.82 0.04 -1.26 -4.75 135.00 135.99 1b40 s PRO 168 Ca 0.09 -0.66 -0.03 0.00 0.04 0.00 0.00 61.00 60.45 1b40 s PRO 168 Cb -0.09 -4.16 0.58 0.00 0.04 0.00 0.00 34.50 30.87 1b40 s PRO 168 CO 0.02 -1.67 1.62 -0.22 0.04 0.00 0.00 177.00 176.79 1b40 h LYS 169 N 9.45 0.09 0.00 4.56 3.64 -1.98 -0.65 116.57 131.67 1b40 h LYS 169 Ca -0.28 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1b40 h LYS 169 Cb 1.07 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1b40 h LYS 169 CO 1.14 0.06 -0.16 0.66 -2.27 0.00 0.00 179.45 178.88 1b40 h SER 170 N 0.09 0.00 0.18 4.20 4.64 -1.99 0.17 113.55 120.85 1b40 h SER 170 Ca 0.50 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.57 1b40 h SER 170 Cb 0.95 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1b40 h SER 170 CO -0.75 0.16 -1.08 0.00 -0.87 0.00 0.00 176.83 174.28 1b40 h ALA 171 N 1.84 -0.10 -0.33 5.18 0.00 -1.49 -3.12 119.26 121.25 1b40 h ALA 171 Ca -0.00 -0.78 0.04 0.00 0.00 0.00 0.00 54.91 54.17 1b40 h ALA 171 Cb 0.45 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1b40 h ALA 171 CO 0.02 0.52 0.11 0.28 0.00 0.00 0.00 179.25 180.18 1b40 h VAL 172 N -0.19 0.90 -0.50 0.00 2.07 -0.82 -1.53 116.25 116.18 1b40 h VAL 172 Ca -0.19 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1b40 h VAL 172 Cb 1.83 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1b40 h VAL 172 CO 0.19 0.05 -0.06 -0.33 0.02 0.00 0.00 177.57 177.44 1b40 h GLU 173 N 0.25 0.89 0.06 1.57 5.08 -0.80 0.35 114.58 121.97 1b40 h GLU 173 Ca 0.15 -0.28 -0.27 0.00 -1.00 0.00 0.00 59.36 57.96 1b40 h GLU 173 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1b40 h GLU 173 CO -0.16 0.92 -1.35 -0.22 -1.00 0.00 0.00 179.01 177.19 1b40 h LYS 174 N 0.81 0.12 -0.01 2.33 3.64 -1.48 -3.38 116.57 118.60 1b40 h LYS 174 Ca 0.14 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1b40 h LYS 174 Cb 0.56 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1b40 h LYS 174 CO 0.03 0.97 -0.18 1.19 -2.27 0.00 0.00 179.45 179.20 1b40 n PHE 175 N -3.35 0.00 -3.34 1.91 3.72 -0.58 -5.06 117.46 110.75 1b40 n PHE 175 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1b40 n PHE 175 Cb 1.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 1b40 n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b40 n GLY 176 N 0.88 1.72 0.00 1.37 0.00 0.11 -1.45 105.19 107.82 1b40 n GLY 176 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1b40 n GLY 176 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b40 n ASP 177 N -1.61 0.00 -1.05 1.61 5.68 -1.26 -0.33 116.55 119.60 1b40 n ASP 177 Ca 0.00 0.28 0.12 0.00 -0.50 0.00 0.00 54.79 54.68 1b40 n ASP 177 Cb 0.00 -0.28 0.23 0.00 -1.14 0.00 0.00 41.12 39.94 1b40 n ASP 177 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1b40 n LYS 178 N -1.24 2.37 0.08 0.11 5.02 -0.53 -4.34 118.16 119.63 1b40 n LYS 178 Ca 0.00 -2.07 0.14 0.00 -2.02 0.00 0.00 58.31 54.36 1b40 n LYS 178 Cb 0.10 -1.49 0.63 0.00 -0.02 0.00 0.00 35.03 34.25 1b40 n LYS 178 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1b40 h TRP 179 N 4.15 0.09 -0.01 2.13 5.08 -0.73 -0.07 115.95 126.59 1b40 h TRP 179 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1b40 h TRP 179 Cb 0.91 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.04 1b40 h TRP 179 CO 0.21 0.05 -0.00 0.25 -1.28 0.00 0.00 178.44 177.66 1b40 n THR 180 N -4.46 0.00 -1.77 0.12 -2.24 -1.26 -1.50 114.28 103.17 1b40 n THR 180 Ca 0.05 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 1b40 n THR 180 Cb 0.36 -0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1b40 n THR 180 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1b40 s GLN 181 N -2.02 2.68 0.53 -0.78 -1.52 -0.04 -4.56 119.66 113.95 1b40 s GLN 181 Ca 0.44 1.68 0.20 0.00 -1.95 0.00 0.00 55.36 55.73 1b40 s GLN 181 Cb 0.22 -1.91 1.41 0.00 -0.22 0.00 0.00 33.01 32.51 1b40 s GLN 181 CO 0.36 -1.40 2.16 -1.35 -0.25 0.00 0.00 175.29 174.81 1b40 h PRO 182 N 0.30 0.00 0.00 2.91 0.11 -1.88 0.35 132.00 133.78 1b40 h PRO 182 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1b40 h PRO 182 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1b40 h PRO 182 CO 0.53 0.03 -0.11 0.00 -0.21 0.00 0.00 178.00 178.24 1b40 h ALA 183 N 1.97 0.94 0.00 -0.75 0.00 -1.91 -3.34 119.26 116.16 1b40 h ALA 183 Ca -0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1b40 h ALA 183 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1b40 h ALA 183 CO 0.00 0.14 -1.79 0.09 0.00 0.00 0.00 179.25 177.69 1b40 n ASN 184 N -3.13 2.07 -4.75 0.00 3.02 -0.49 -5.04 115.26 106.93 1b40 n ASN 184 Ca 0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.22 1b40 n ASN 184 Cb 0.55 0.87 0.04 0.00 -0.61 0.00 0.00 39.78 40.63 1b40 n ASN 184 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1b40 s ILE 185 N -2.35 2.64 -0.05 2.41 2.07 0.11 -4.88 121.20 121.15 1b40 s ILE 185 Ca -0.06 0.39 0.01 0.00 -1.41 0.00 0.00 60.65 59.58 1b40 s ILE 185 Cb 0.04 -3.13 0.02 0.00 0.13 0.00 0.00 42.46 39.52 1b40 s ILE 185 CO 0.49 -0.09 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.68 1b40 s VAL 186 N -1.64 0.63 0.19 4.00 1.01 -1.26 -4.98 120.40 118.35 1b40 s VAL 186 Ca 0.77 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.64 1b40 s VAL 186 Cb -0.30 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1b40 s VAL 186 CO 0.34 0.25 -0.12 0.42 0.00 0.00 0.00 175.10 175.99 1b40 s THR 187 N 0.90 1.51 -0.02 3.92 -4.23 -1.26 -4.74 115.64 111.72 1b40 s THR 187 Ca -0.11 -2.15 0.03 0.00 -1.18 0.00 0.00 61.69 58.28 1b40 s THR 187 Cb -0.14 -2.03 0.04 0.00 1.34 0.00 0.00 72.50 71.70 1b40 s THR 187 CO 0.00 -0.60 0.98 -0.46 -0.54 0.00 0.00 174.62 174.00 1b40 n ASN 188 N -0.34 1.85 -1.92 3.99 6.94 -0.87 -0.23 115.26 124.67 1b40 n ASN 188 Ca -0.08 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1b40 n ASN 188 Cb 0.61 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1b40 n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1b40 n GLY 189 N -0.59 0.35 0.27 4.83 0.00 0.12 -4.46 105.19 105.72 1b40 n GLY 189 Ca 0.02 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.29 1b40 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b40 h ALA 190 N -0.96 1.44 -1.44 4.61 0.00 -1.82 -3.42 119.26 117.67 1b40 h ALA 190 Ca 0.00 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.25 1b40 h ALA 190 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1b40 h ALA 190 CO 0.00 0.11 -0.48 0.71 0.00 0.00 0.00 179.25 179.59 1b40 s TYR 191 N -4.43 2.49 0.12 0.00 2.02 -0.41 -0.04 117.35 117.10 1b40 s TYR 191 Ca -0.04 -0.63 0.06 0.00 -0.37 0.00 0.00 57.07 56.10 1b40 s TYR 191 Cb 0.14 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1b40 s TYR 191 CO 0.59 0.14 -0.15 0.15 -1.57 0.00 0.00 175.55 174.71 1b40 s LYS 192 N -3.93 1.03 -0.32 -0.62 1.02 0.11 -4.56 119.74 112.46 1b40 s LYS 192 Ca 0.38 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 1b40 s LYS 192 Cb 0.03 -0.97 0.02 0.00 -0.52 0.00 0.00 37.83 36.39 1b40 s LYS 192 CO 0.21 0.20 1.09 -1.17 -0.92 0.00 0.00 175.35 174.76 1b40 s LEU 193 N -2.32 3.92 -0.23 3.17 2.96 -1.26 -0.55 118.68 124.36 1b40 s LEU 193 Ca 0.08 1.04 -0.12 0.00 -0.22 0.00 0.00 54.13 54.91 1b40 s LEU 193 Cb -0.06 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.91 1b40 s LEU 193 CO 0.03 -0.90 -0.07 1.17 -1.32 0.00 0.00 176.35 175.26 1b40 n LYS 194 N 6.92 0.62 -3.90 1.98 4.81 0.15 -4.81 118.16 123.94 1b40 n LYS 194 Ca 0.12 0.32 -0.11 0.00 -0.87 0.00 0.00 58.31 57.77 1b40 n LYS 194 Cb 0.47 -1.60 -0.12 0.00 0.02 0.00 0.00 35.03 33.81 1b40 n LYS 194 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1b40 s ASN 195 N -7.06 0.06 -0.24 3.14 0.01 -0.75 -4.92 114.94 105.18 1b40 s ASN 195 Ca -0.33 -0.17 -0.04 0.00 -0.71 0.00 0.00 52.86 51.61 1b40 s ASN 195 Cb 0.10 0.15 0.09 0.00 0.41 0.00 0.00 41.25 42.00 1b40 s ASN 195 CO 0.58 -0.21 0.16 0.86 -1.51 0.00 0.00 177.10 176.99 1b40 s TRP 196 N -0.85 0.04 -0.36 2.20 -0.00 -1.26 -0.40 118.94 118.30 1b40 s TRP 196 Ca -0.09 -0.39 -0.05 0.00 -0.00 0.00 0.00 56.10 55.56 1b40 s TRP 196 Cb -0.06 -0.67 0.07 0.00 -0.00 0.00 0.00 33.47 32.81 1b40 s TRP 196 CO 0.00 -0.71 0.14 0.08 -0.00 0.00 0.00 176.95 176.46 1b40 s VAL 197 N 2.20 3.63 0.04 5.86 1.01 -0.13 -5.01 120.40 127.99 1b40 s VAL 197 Ca 0.07 -1.44 -0.33 0.00 0.00 0.00 0.00 61.98 60.28 1b40 s VAL 197 Cb -0.16 -3.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 1b40 s VAL 197 CO -0.24 -0.35 1.82 0.52 0.00 0.00 0.00 175.10 176.85 1b40 n VAL 198 N 4.75 0.43 -1.27 2.92 0.31 -1.26 -0.98 118.33 123.23 1b40 n VAL 198 Ca -0.10 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.06 1b40 n VAL 198 Cb 0.43 -1.94 -0.04 0.00 -0.91 0.00 0.00 33.84 31.38 1b40 n VAL 198 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1b40 n ASN 199 N 5.83 -4.29 0.00 4.52 5.03 -1.26 -4.78 115.26 120.31 1b40 n ASN 199 Ca 0.20 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.87 1b40 n ASN 199 Cb 0.33 -2.59 0.00 0.00 -1.02 0.00 0.00 39.78 36.50 1b40 n ASN 199 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1b40 n GLU 200 N -2.48 0.00 -3.43 3.52 2.13 -0.15 -4.93 120.64 115.29 1b40 n GLU 200 Ca -0.09 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.61 1b40 n GLU 200 Cb 0.33 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.02 1b40 n GLU 200 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1b40 s ARG 201 N -0.69 1.23 -0.16 5.31 1.70 -0.42 -4.33 118.95 121.59 1b40 s ARG 201 Ca 0.00 -0.44 0.01 0.00 -0.47 0.00 0.00 55.73 54.83 1b40 s ARG 201 Cb 0.00 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 34.97 1b40 s ARG 201 CO 0.00 -0.54 -0.17 0.42 -1.08 0.00 0.00 175.30 173.93 1b40 s ILE 202 N -3.65 1.82 -0.23 4.99 1.01 -0.32 -0.96 121.20 123.87 1b40 s ILE 202 Ca 0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1b40 s ILE 202 Cb -0.01 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1b40 s ILE 202 CO -0.12 0.50 -0.04 -0.69 0.00 0.00 0.00 174.94 174.59 1b40 s VAL 203 N 1.33 3.40 -0.05 2.92 1.01 0.46 0.33 120.40 129.80 1b40 s VAL 203 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1b40 s VAL 203 Cb -0.13 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1b40 s VAL 203 CO -0.11 0.40 0.03 -0.76 0.00 0.00 0.00 175.10 174.66 1b40 s LEU 204 N 1.48 3.69 0.06 3.92 1.43 0.14 0.34 118.68 129.75 1b40 s LEU 204 Ca 0.05 0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 1b40 s LEU 204 Cb -0.14 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1b40 s LEU 204 CO -0.03 0.33 -0.25 -1.83 0.23 0.00 0.00 176.35 174.81 1b40 s GLU 205 N -1.25 1.77 0.23 1.70 -1.05 0.28 -1.13 118.70 119.26 1b40 s GLU 205 Ca 0.17 -1.14 -0.31 0.00 -0.15 0.00 0.00 54.97 53.54 1b40 s GLU 205 Cb -0.12 -2.01 -0.14 0.00 -0.44 0.00 0.00 34.13 31.43 1b40 s GLU 205 CO 0.07 0.50 1.27 -2.13 0.95 0.00 0.00 175.26 175.92 1b40 n ARG 206 N 1.53 1.69 -3.22 -4.83 0.63 -0.50 0.08 116.66 112.03 1b40 n ARG 206 Ca -0.17 0.60 -0.44 0.00 -0.92 0.00 0.00 57.85 56.92 1b40 n ARG 206 Cb 0.52 -2.17 -0.07 0.00 0.45 0.00 0.00 32.46 31.20 1b40 n ARG 206 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1b40 s ASN 207 N 0.04 6.21 0.58 6.15 2.47 0.95 -4.65 114.94 126.68 1b40 s ASN 207 Ca 0.67 -0.94 0.28 0.00 0.42 0.00 0.00 52.86 53.30 1b40 s ASN 207 Cb -0.71 -2.26 1.74 0.00 -1.45 0.00 0.00 41.25 38.57 1b40 s ASN 207 CO 0.53 -0.80 2.23 1.55 -3.72 0.00 0.00 177.10 176.89 1b40 h PRO 208 N 8.91 0.00 0.00 0.43 0.13 -1.93 -1.44 132.00 138.09 1b40 h PRO 208 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1b40 h PRO 208 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1b40 h PRO 208 CO 0.92 0.01 0.00 1.96 -0.23 0.00 0.00 178.00 180.66 1b40 h GLN 209 N 0.00 0.00 -6.30 0.86 1.08 -1.89 -3.46 115.11 105.40 1b40 h GLN 209 Ca -0.00 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.54 1b40 h GLN 209 Cb 0.03 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.53 1b40 h GLN 209 CO 0.00 0.00 0.30 0.98 -0.95 0.00 0.00 178.83 179.16 1b40 n TYR 210 N -3.07 1.30 -0.30 2.96 9.36 -0.55 -4.30 117.16 122.56 1b40 n TYR 210 Ca 0.03 0.69 0.01 0.00 3.32 0.00 0.00 57.90 61.94 1b40 n TYR 210 Cb 0.44 -2.28 0.19 0.00 -0.63 0.00 0.00 39.34 37.06 1b40 n TYR 210 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 1b40 h TRP 211 N 3.63 1.10 -0.77 2.98 5.08 -1.84 -1.97 115.95 124.15 1b40 h TRP 211 Ca -0.44 0.03 -0.29 0.00 1.08 0.00 0.00 58.89 59.26 1b40 h TRP 211 Cb 1.35 -0.37 -0.17 0.00 -3.00 0.00 0.00 29.16 26.97 1b40 h TRP 211 CO 0.55 0.65 0.37 -3.47 -1.28 0.00 0.00 178.44 175.27 1b40 n ASP 212 N -4.43 4.41 -0.33 0.11 2.03 -1.26 -4.69 116.55 112.38 1b40 n ASP 212 Ca 0.11 -3.25 0.17 0.00 0.52 0.00 0.00 54.79 52.35 1b40 n ASP 212 Cb 0.08 -0.76 0.40 0.00 -0.72 0.00 0.00 41.12 40.11 1b40 n ASP 212 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1b40 h ASN 213 N 2.07 0.65 -0.11 1.67 -1.24 -1.67 -1.99 115.58 114.95 1b40 h ASN 213 Ca 0.36 0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.50 1b40 h ASN 213 Cb 2.40 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 41.44 1b40 h ASN 213 CO 0.80 0.18 0.09 0.00 -1.29 0.00 0.00 177.43 177.21 1b40 h ALA 214 N 1.66 1.94 -0.01 1.57 0.00 -1.85 -0.30 119.26 122.27 1b40 h ALA 214 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1b40 h ALA 214 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1b40 h ALA 214 CO -0.37 -0.15 -0.33 1.63 0.00 0.00 0.00 179.25 180.02 1b40 n LYS 215 N -4.24 0.86 -2.43 0.00 5.02 -0.75 -4.91 118.16 111.70 1b40 n LYS 215 Ca -0.00 -0.57 -0.42 0.00 -2.02 0.00 0.00 58.31 55.30 1b40 n LYS 215 Cb 0.21 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1b40 n LYS 215 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1b40 s THR 216 N -2.53 3.92 -0.06 -0.18 2.01 -0.13 0.17 115.64 118.84 1b40 s THR 216 Ca 0.22 1.47 -0.01 0.00 0.31 0.00 0.00 61.69 63.68 1b40 s THR 216 Cb 0.19 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1b40 s THR 216 CO 0.55 0.17 -0.06 0.52 -0.69 0.00 0.00 174.62 175.10 1b40 n VAL 217 N 3.33 0.32 -1.85 3.82 0.31 -1.26 -4.89 118.33 118.10 1b40 n VAL 217 Ca 0.07 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 1b40 n VAL 217 Cb 0.46 -1.16 -0.03 0.00 -0.91 0.00 0.00 33.84 32.20 1b40 n VAL 217 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b40 s ILE 218 N -2.11 2.59 -0.20 2.52 -1.09 -1.26 -4.85 121.20 116.80 1b40 s ILE 218 Ca -0.08 0.29 0.20 0.00 -2.23 0.00 0.00 60.65 58.83 1b40 s ILE 218 Cb 0.03 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 1b40 s ILE 218 CO 0.11 0.01 1.04 0.78 -1.23 0.00 0.00 174.94 175.66 1b40 h ASN 219 N 7.55 0.00 -3.54 3.58 2.35 -0.80 -3.44 115.58 121.28 1b40 h ASN 219 Ca -0.43 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.24 1b40 h ASN 219 Cb 1.21 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.34 1b40 h ASN 219 CO 0.93 0.27 -0.14 -1.58 -1.65 0.00 0.00 177.43 175.26 1b40 s GLN 220 N -3.15 0.56 -0.01 0.81 0.74 -1.21 -1.41 119.66 115.99 1b40 s GLN 220 Ca -0.00 0.84 0.04 0.00 0.05 0.00 0.00 55.36 56.29 1b40 s GLN 220 Cb 0.09 0.17 -0.01 0.00 1.10 0.00 0.00 33.01 34.36 1b40 s GLN 220 CO 0.78 -0.11 -0.13 0.54 -0.55 0.00 0.00 175.29 175.82 1b40 s VAL 221 N 0.88 1.06 -0.14 1.34 0.11 -0.28 -1.21 120.40 122.16 1b40 s VAL 221 Ca -0.05 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1b40 s VAL 221 Cb -0.05 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1b40 s VAL 221 CO -0.07 0.30 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.05 1b40 s THR 222 N -0.25 3.72 -0.23 5.04 2.01 -0.20 0.28 115.64 126.01 1b40 s THR 222 Ca 0.04 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 1b40 s THR 222 Cb -0.06 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1b40 s THR 222 CO -0.00 0.51 0.04 -0.31 -0.69 0.00 0.00 174.62 174.18 1b40 s TYR 223 N 0.20 3.08 0.14 4.92 2.02 0.15 -1.07 117.35 126.79 1b40 s TYR 223 Ca -0.03 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1b40 s TYR 223 Cb -0.14 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1b40 s TYR 223 CO 0.03 -0.27 0.30 -0.51 -1.57 0.00 0.00 175.55 173.53 1b40 s LEU 224 N 1.29 4.31 -0.61 -1.29 1.43 0.24 -1.18 118.68 122.87 1b40 s LEU 224 Ca 0.04 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1b40 s LEU 224 Cb -0.15 -3.00 0.43 0.00 0.03 0.00 0.00 46.19 43.50 1b40 s LEU 224 CO 0.03 0.06 1.78 -0.81 0.23 0.00 0.00 176.35 177.63 1b40 n PRO 225 N -0.35 2.96 -2.66 1.29 -0.04 -1.26 0.12 135.00 135.06 1b40 n PRO 225 Ca -0.06 -3.63 -0.43 0.00 -0.04 0.00 0.00 63.50 59.35 1b40 n PRO 225 Cb 0.53 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 1b40 n PRO 225 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b40 s ILE 226 N -4.90 4.38 -1.74 0.52 1.01 -1.26 -3.95 121.20 115.26 1b40 s ILE 226 Ca 0.58 1.36 0.27 0.00 0.00 0.00 0.00 60.65 62.86 1b40 s ILE 226 Cb 0.46 -4.49 0.32 0.00 0.01 0.00 0.00 42.46 38.77 1b40 s ILE 226 CO -0.11 -0.75 1.64 -1.54 0.00 0.00 0.00 174.94 174.19 1b40 n SER 227 N 7.30 0.90 -4.57 3.58 3.41 -1.19 -3.98 113.62 119.07 1b40 n SER 227 Ca 0.11 -0.82 -0.43 0.00 -0.26 0.00 0.00 58.87 57.47 1b40 n SER 227 Cb 0.48 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1b40 n SER 227 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1b40 s SER 228 N -2.49 6.52 0.49 4.04 0.15 -1.26 -4.16 113.70 116.99 1b40 s SER 228 Ca 0.26 0.19 0.13 0.00 0.70 0.00 0.00 55.95 57.23 1b40 s SER 228 Cb 0.19 -2.44 1.14 0.00 -1.71 0.00 0.00 66.02 63.21 1b40 s SER 228 CO 0.50 -0.96 2.12 -0.33 1.20 0.00 0.00 173.24 175.77 1b40 h GLU 229 N 8.90 0.15 -0.52 5.44 3.07 -1.87 -1.65 114.58 128.10 1b40 h GLU 229 Ca -0.24 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 1b40 h GLU 229 Cb 1.08 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 1b40 h GLU 229 CO 1.00 0.11 0.15 0.28 -1.40 0.00 0.00 179.01 179.15 1b40 h VAL 230 N 0.15 1.24 -0.27 3.13 2.07 -1.93 -1.17 116.25 119.46 1b40 h VAL 230 Ca 0.04 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 1b40 h VAL 230 Cb 0.00 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1b40 h VAL 230 CO -0.01 0.30 -0.30 0.74 0.02 0.00 0.00 177.57 178.32 1b40 h THR 231 N 0.72 1.28 -0.19 2.57 2.02 -1.84 0.92 112.91 118.39 1b40 h THR 231 Ca 0.17 -1.39 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 1b40 h THR 231 Cb 0.30 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1b40 h THR 231 CO -0.00 0.44 -0.09 -0.78 0.37 0.00 0.00 175.52 175.46 1b40 h ASP 232 N 0.48 0.40 -0.74 4.18 3.58 -1.07 0.31 116.42 123.57 1b40 h ASP 232 Ca 0.06 -0.41 0.03 0.00 0.42 0.00 0.00 57.03 57.13 1b40 h ASP 232 Cb 0.76 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 1b40 h ASP 232 CO 0.06 0.72 0.46 0.58 -2.88 0.00 0.00 179.24 178.19 1b40 h VAL 233 N 0.08 1.10 -0.61 2.25 2.07 -1.09 0.62 116.25 120.67 1b40 h VAL 233 Ca 0.04 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1b40 h VAL 233 Cb 0.57 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1b40 h VAL 233 CO 0.03 0.17 0.25 0.78 0.02 0.00 0.00 177.57 178.81 1b40 h ASN 234 N 0.91 0.84 1.25 0.57 2.35 -0.43 0.10 115.58 121.18 1b40 h ASN 234 Ca 0.30 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1b40 h ASN 234 Cb 0.02 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1b40 h ASN 234 CO -0.11 0.78 -0.27 0.03 -1.65 0.00 0.00 177.43 176.21 1b40 h ARG 235 N 0.85 0.00 0.31 0.81 3.08 0.43 -1.91 114.38 117.95 1b40 h ARG 235 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1b40 h ARG 235 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1b40 h ARG 235 CO -0.02 0.00 -0.15 -0.92 -1.07 0.00 0.00 179.97 177.81 1b40 h TYR 236 N 0.00 -0.39 0.00 3.04 5.03 -0.39 -0.39 116.97 123.88 1b40 h TYR 236 Ca 0.00 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1b40 h TYR 236 Cb 0.76 0.13 -0.00 0.00 1.55 0.00 0.00 36.73 39.17 1b40 h TYR 236 CO 0.00 -0.05 -0.06 0.00 -1.32 0.00 0.00 178.16 176.73 1b40 h ARG 237 N -0.93 0.00 0.00 1.82 3.08 -0.81 0.26 114.38 117.80 1b40 h ARG 237 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1b40 h ARG 237 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1b40 h ARG 237 CO 0.07 0.06 0.00 -1.13 -1.07 0.00 0.00 179.97 177.90 1b40 n SER 238 N -3.70 0.46 0.00 7.04 3.41 -0.72 -4.94 113.62 115.17 1b40 n SER 238 Ca -0.02 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1b40 n SER 238 Cb 0.17 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1b40 n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b40 n GLY 239 N 0.96 2.89 0.18 5.00 0.00 0.91 -4.97 105.19 110.16 1b40 n GLY 239 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1b40 n GLY 239 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b40 h GLU 240 N 1.62 0.54 -5.53 1.61 4.81 -1.56 -3.45 114.58 112.63 1b40 h GLU 240 Ca 0.00 -0.23 -0.61 0.00 -0.13 0.00 0.00 59.36 58.39 1b40 h GLU 240 Cb 0.00 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.27 1b40 h GLU 240 CO 0.00 0.79 -0.37 0.42 -0.73 0.00 0.00 179.01 179.12 1b40 s ILE 241 N -4.61 5.33 -0.11 2.32 1.01 -0.22 -4.76 121.20 120.15 1b40 s ILE 241 Ca -0.13 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1b40 s ILE 241 Cb 0.08 -3.57 -0.24 0.00 0.01 0.00 0.00 42.46 38.74 1b40 s ILE 241 CO 0.78 0.46 0.38 0.47 0.00 0.00 0.00 174.94 177.04 1b40 n ASP 242 N 3.08 1.53 -3.80 3.58 8.00 -0.08 -4.38 116.55 124.48 1b40 n ASP 242 Ca -0.14 0.23 -0.24 0.00 0.71 0.00 0.00 54.79 55.35 1b40 n ASP 242 Cb 0.52 -0.41 -0.17 0.00 -0.02 0.00 0.00 41.12 41.04 1b40 n ASP 242 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1b40 s MET 243 N -2.56 0.80 1.17 -1.24 -1.94 -0.96 -1.46 119.30 113.10 1b40 s MET 243 Ca -0.17 0.03 -0.20 0.00 -1.71 0.00 0.00 55.69 53.65 1b40 s MET 243 Cb 0.07 -1.09 0.29 0.00 2.01 0.00 0.00 34.83 36.10 1b40 s MET 243 CO 0.78 -0.29 1.14 0.25 -0.01 0.00 0.00 175.02 176.88 1b40 n THR 244 N 5.08 0.00 -2.12 2.05 -2.24 -0.24 -1.17 114.28 115.64 1b40 n THR 244 Ca -0.09 -0.58 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 1b40 n THR 244 Cb 0.50 -1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 67.42 1b40 n THR 244 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1b40 s TYR 245 N -3.17 3.49 -1.14 4.78 5.04 -1.23 -4.51 117.35 120.61 1b40 s TYR 245 Ca 0.71 1.39 -0.05 0.00 -2.44 0.00 0.00 57.07 56.68 1b40 s TYR 245 Cb -0.06 -2.78 0.27 0.00 0.35 0.00 0.00 41.96 39.74 1b40 s TYR 245 CO 0.54 -0.58 1.64 0.27 -1.34 0.00 0.00 175.55 176.08 1b40 n ASN 246 N -2.17 6.17 -3.59 4.32 6.94 -1.26 -4.67 115.26 121.00 1b40 n ASN 246 Ca 0.06 -3.34 -0.18 0.00 -0.02 0.00 0.00 54.58 51.10 1b40 n ASN 246 Cb 0.54 -1.32 -0.14 0.00 -2.36 0.00 0.00 39.78 36.49 1b40 n ASN 246 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1b40 s ASN 247 N -1.02 1.07 -0.08 0.53 0.01 -1.24 -4.67 114.94 109.54 1b40 s ASN 247 Ca 0.34 0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.54 1b40 s ASN 247 Cb 0.07 0.33 -0.04 0.00 0.41 0.00 0.00 41.25 42.03 1b40 s ASN 247 CO 0.06 -0.28 0.05 -0.04 -1.51 0.00 0.00 177.10 175.38 1b40 s MET 248 N 2.31 3.11 0.28 -0.60 -1.94 -1.26 -4.80 119.30 116.40 1b40 s MET 248 Ca 0.04 -0.35 -0.29 0.00 -1.71 0.00 0.00 55.69 53.38 1b40 s MET 248 Cb -0.14 -2.90 -0.09 0.00 2.01 0.00 0.00 34.83 33.71 1b40 s MET 248 CO -0.09 0.71 1.03 -1.25 -0.01 0.00 0.00 175.02 175.41 1b40 s PRO 249 N -1.08 4.68 0.43 2.03 0.04 -1.26 -4.76 135.00 135.07 1b40 s PRO 249 Ca 0.16 1.63 0.20 0.00 0.04 0.00 0.00 61.00 63.02 1b40 s PRO 249 Cb -0.12 -3.14 0.97 0.00 0.04 0.00 0.00 34.50 32.25 1b40 s PRO 249 CO 0.05 0.30 1.89 0.82 0.04 0.00 0.00 177.00 180.10 1b40 h ILE 250 N 3.00 0.89 -0.31 0.56 2.04 -1.93 -2.41 117.51 119.35 1b40 h ILE 250 Ca -0.46 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.25 1b40 h ILE 250 Cb 1.21 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1b40 h ILE 250 CO 0.67 0.27 -0.13 -0.33 0.00 0.00 0.00 178.15 178.62 1b40 h GLU 251 N 0.00 0.54 0.00 2.37 3.07 -1.97 -3.38 114.58 115.21 1b40 h GLU 251 Ca -0.00 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1b40 h GLU 251 Cb 0.61 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1b40 h GLU 251 CO 0.04 0.67 -0.52 1.28 -1.40 0.00 0.00 179.01 179.07 1b40 n LEU 252 N -4.19 0.00 0.17 1.33 4.77 -1.11 -4.89 117.00 113.08 1b40 n LEU 252 Ca 0.01 -0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 55.62 1b40 n LEU 252 Cb 0.34 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1b40 n LEU 252 CO 0.41 0.00 0.62 0.15 -1.33 0.00 0.00 177.39 177.24 1b40 h PHE 253 N 0.00 -1.00 -0.44 -1.77 3.57 -1.62 -1.35 116.94 114.32 1b40 h PHE 253 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1b40 h PHE 253 Cb 0.00 0.41 -0.10 0.00 2.79 0.00 0.00 35.95 39.05 1b40 h PHE 253 CO 0.00 -0.49 -0.25 1.96 -2.23 0.00 0.00 178.31 177.30 1b40 h GLN 254 N -0.67 -0.15 -0.75 1.11 1.08 -1.87 -0.00 115.11 113.85 1b40 h GLN 254 Ca 0.00 0.01 0.16 0.00 -1.45 0.00 0.00 58.65 57.37 1b40 h GLN 254 Cb 0.65 0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 28.01 1b40 h GLN 254 CO -0.14 -0.10 0.23 0.87 -0.95 0.00 0.00 178.83 178.74 1b40 h LYS 255 N -0.16 0.32 -0.88 1.46 1.79 -1.80 -0.84 116.57 116.45 1b40 h LYS 255 Ca 0.21 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1b40 h LYS 255 Cb 0.49 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 1b40 h LYS 255 CO -0.54 0.21 0.51 -0.07 -1.08 0.00 0.00 179.45 178.48 1b40 h LEU 256 N 0.33 1.08 -0.62 2.94 3.38 0.06 0.42 115.31 122.90 1b40 h LEU 256 Ca 0.42 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.42 1b40 h LEU 256 Cb 0.70 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1b40 h LEU 256 CO -0.47 0.85 0.20 0.50 0.09 0.00 0.00 178.44 179.60 1b40 h LYS 257 N 1.22 0.34 0.22 1.13 3.64 0.35 0.16 116.57 123.63 1b40 h LYS 257 Ca 0.31 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.33 1b40 h LYS 257 Cb -0.01 -0.08 0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1b40 h LYS 257 CO -0.05 0.22 -1.57 0.87 -2.27 0.00 0.00 179.45 176.65 1b40 h LYS 258 N 0.35 0.47 0.02 1.90 1.79 -0.73 -3.30 116.57 117.08 1b40 h LYS 258 Ca 0.32 -0.81 -0.24 0.00 -2.18 0.00 0.00 60.65 57.75 1b40 h LYS 258 Cb 0.45 0.30 0.02 0.00 -1.58 0.00 0.00 32.23 31.42 1b40 h LYS 258 CO -0.36 1.38 -0.95 0.93 -1.08 0.00 0.00 179.45 179.38 1b40 h GLU 259 N 0.13 0.60 -2.08 3.15 5.08 0.06 -3.40 114.58 118.12 1b40 h GLU 259 Ca -0.28 -0.68 -0.53 0.00 -1.00 0.00 0.00 59.36 56.88 1b40 h GLU 259 Cb 2.14 0.20 -0.40 0.00 0.50 0.00 0.00 28.75 31.18 1b40 h GLU 259 CO 0.24 1.27 -1.02 0.44 -1.00 0.00 0.00 179.01 178.95 1b40 n ILE 260 N -3.96 0.68 -0.28 3.13 -5.35 0.02 -4.98 119.36 108.62 1b40 n ILE 260 Ca -0.11 -4.78 0.10 0.00 -0.27 0.00 0.00 62.75 57.68 1b40 n ILE 260 Cb 0.84 -0.90 0.24 0.00 -1.74 0.00 0.00 39.64 38.08 1b40 n ILE 260 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1b40 h PRO 261 N 3.22 0.24 -0.04 6.28 0.13 -1.65 -2.10 132.00 138.09 1b40 h PRO 261 Ca 0.11 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 1b40 h PRO 261 Cb 0.83 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1b40 h PRO 261 CO 0.59 0.16 -0.25 -0.91 -0.23 0.00 0.00 178.00 177.36 1b40 h ASN 262 N 0.25 0.06 0.71 1.44 2.35 -1.93 -2.82 115.58 115.63 1b40 h ASN 262 Ca 0.49 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1b40 h ASN 262 Cb 0.92 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1b40 h ASN 262 CO -0.59 0.32 -0.23 -0.62 -1.65 0.00 0.00 177.43 174.66 1b40 n GLU 263 N -4.22 0.08 -3.03 0.81 1.02 -0.79 -4.78 120.64 109.73 1b40 n GLU 263 Ca -0.02 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 1b40 n GLU 263 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 1b40 n GLU 263 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1b40 s VAL 264 N -2.94 4.69 -0.23 2.62 1.01 -1.07 -1.77 120.40 122.71 1b40 s VAL 264 Ca 0.14 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 1b40 s VAL 264 Cb 0.18 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1b40 s VAL 264 CO 0.60 -0.89 0.47 -0.13 0.00 0.00 0.00 175.10 175.15 1b40 s ARG 265 N 3.14 4.12 -0.28 2.72 1.81 0.72 -4.97 118.95 126.21 1b40 s ARG 265 Ca 0.22 0.28 0.01 0.00 -1.72 0.00 0.00 55.73 54.51 1b40 s ARG 265 Cb -0.16 -3.60 0.08 0.00 -0.45 0.00 0.00 34.95 30.82 1b40 s ARG 265 CO 0.16 -0.21 0.03 0.08 -0.68 0.00 0.00 175.30 174.68 1b40 s VAL 266 N 1.84 1.37 0.23 3.52 1.01 -1.25 -1.92 120.40 125.19 1b40 s VAL 266 Ca 0.21 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1b40 s VAL 266 Cb -0.15 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1b40 s VAL 266 CO 0.09 -0.43 0.05 -1.81 0.00 0.00 0.00 175.10 173.00 1b40 s ASP 267 N 1.41 1.31 0.49 3.32 1.01 -0.24 -4.92 116.67 119.04 1b40 s ASP 267 Ca 0.04 -1.29 -0.24 0.00 0.71 0.00 0.00 52.55 51.78 1b40 s ASP 267 Cb -0.18 0.12 -0.07 0.00 1.01 0.00 0.00 42.92 43.80 1b40 s ASP 267 CO -0.14 -0.64 1.35 -2.84 0.21 0.00 0.00 175.17 173.11 1b40 s PRO 268 N -3.97 3.50 -0.16 8.23 0.02 -1.26 0.16 135.00 141.53 1b40 s PRO 268 Ca 0.32 2.22 -0.10 0.00 0.02 0.00 0.00 61.00 63.45 1b40 s PRO 268 Cb 0.07 -2.47 0.05 0.00 0.02 0.00 0.00 34.50 32.17 1b40 s PRO 268 CO 0.10 -0.90 0.40 -0.47 -0.33 0.00 0.00 177.00 175.80 1b40 s TYR 269 N -1.30 -0.54 -1.26 6.54 5.04 -1.24 -4.44 117.35 120.15 1b40 s TYR 269 Ca 0.65 1.19 -0.06 0.00 -2.44 0.00 0.00 57.07 56.41 1b40 s TYR 269 Cb -0.40 0.22 0.18 0.00 0.35 0.00 0.00 41.96 42.31 1b40 s TYR 269 CO 0.49 -0.30 2.05 1.28 -1.34 0.00 0.00 175.55 177.73 1b40 n LEU 270 N 3.87 7.31 -4.18 6.97 4.77 -0.56 -4.40 117.00 130.79 1b40 n LEU 270 Ca -0.21 -4.88 -0.17 0.00 -0.03 0.00 0.00 56.01 50.73 1b40 n LEU 270 Cb 0.56 -1.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.16 1b40 n LEU 270 CO 0.10 1.77 -0.44 0.00 -1.33 0.00 0.00 177.39 177.49 1b40 s THR 272 N -1.83 1.40 -0.22 0.00 2.01 -0.37 -1.35 115.64 115.28 1b40 s THR 272 Ca 0.02 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 1b40 s THR 272 Cb -0.07 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 1b40 s THR 272 CO 0.02 0.41 0.14 -0.47 -0.69 0.00 0.00 174.62 174.02 1b40 s TYR 273 N 0.17 3.32 0.14 4.92 6.14 -0.33 -1.63 117.35 130.09 1b40 s TYR 273 Ca -0.07 0.21 -0.09 0.00 0.64 0.00 0.00 57.07 57.76 1b40 s TYR 273 Cb -0.13 -2.22 -0.01 0.00 0.42 0.00 0.00 41.96 40.03 1b40 s TYR 273 CO 0.03 0.11 0.26 1.52 0.64 0.00 0.00 175.55 178.12 1b40 s TYR 274 N 0.83 0.32 -0.40 4.97 1.13 -0.88 0.31 117.35 123.63 1b40 s TYR 274 Ca 0.07 -0.70 -0.12 0.00 -1.41 0.00 0.00 57.07 54.91 1b40 s TYR 274 Cb -0.13 -0.05 0.04 0.00 -1.10 0.00 0.00 41.96 40.72 1b40 s TYR 274 CO 0.02 -0.68 0.25 0.71 -2.51 0.00 0.00 175.55 173.35 1b40 s TYR 275 N -3.94 3.26 -0.01 -3.49 2.02 0.12 -1.26 117.35 114.05 1b40 s TYR 275 Ca 0.14 -1.00 -0.30 0.00 -0.37 0.00 0.00 57.07 55.54 1b40 s TYR 275 Cb 0.04 -2.63 -0.05 0.00 -0.40 0.00 0.00 41.96 38.91 1b40 s TYR 275 CO -0.03 -0.69 1.37 -2.00 -1.57 0.00 0.00 175.55 172.63 1b40 s GLU 276 N 1.56 4.29 -0.05 -0.62 2.12 0.13 -1.56 118.70 124.57 1b40 s GLU 276 Ca 0.03 1.92 -0.10 0.00 0.36 0.00 0.00 54.97 57.18 1b40 s GLU 276 Cb -0.20 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 1b40 s GLU 276 CO 0.06 -0.55 0.27 0.42 -0.54 0.00 0.00 175.26 174.92 1b40 s ILE 277 N 2.34 5.28 -0.81 -3.70 1.01 -1.25 -0.45 121.20 123.62 1b40 s ILE 277 Ca 0.63 0.45 -0.26 0.00 0.00 0.00 0.00 60.65 61.47 1b40 s ILE 277 Cb -0.30 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1b40 s ILE 277 CO 0.26 0.55 1.36 0.21 0.00 0.00 0.00 174.94 177.32 1b40 s ASN 278 N -1.18 6.19 0.43 3.58 2.47 0.25 -4.64 114.94 122.05 1b40 s ASN 278 Ca 0.21 -0.68 0.30 0.00 0.42 0.00 0.00 52.86 53.11 1b40 s ASN 278 Cb -0.14 -2.56 1.40 0.00 -1.45 0.00 0.00 41.25 38.49 1b40 s ASN 278 CO 0.10 -1.79 1.89 0.78 -3.72 0.00 0.00 177.10 174.36 1b40 h ASN 279 N 10.21 0.00 -0.72 -4.21 4.21 -1.07 -2.86 115.58 121.13 1b40 h ASN 279 Ca -0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.36 1b40 h ASN 279 Cb 1.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 1b40 h ASN 279 CO 1.31 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.45 1b40 n GLN 280 N -2.62 2.94 -4.85 0.81 10.64 -1.25 -3.68 117.38 119.38 1b40 n GLN 280 Ca -0.00 -2.70 -0.33 0.00 -1.83 0.00 0.00 57.00 52.14 1b40 n GLN 280 Cb 0.18 -1.65 -0.14 0.00 -0.86 0.00 0.00 30.24 27.77 1b40 n GLN 280 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1b40 s LYS 281 N -1.20 3.00 0.39 2.61 2.20 -1.08 -4.87 119.74 120.79 1b40 s LYS 281 Ca 0.50 -0.70 -0.26 0.00 -0.36 0.00 0.00 55.97 55.15 1b40 s LYS 281 Cb 0.27 -2.51 -0.09 0.00 -1.51 0.00 0.00 37.83 34.00 1b40 s LYS 281 CO 0.32 0.38 1.20 0.00 -0.36 0.00 0.00 175.35 176.89 1b40 s ALA 282 N -0.10 3.22 -0.48 3.13 0.00 -1.26 0.10 121.76 126.38 1b40 s ALA 282 Ca -0.02 1.04 0.10 0.00 0.00 0.00 0.00 51.96 53.08 1b40 s ALA 282 Cb -0.14 -3.41 0.58 0.00 0.00 0.00 0.00 23.12 20.15 1b40 s ALA 282 CO 0.04 -0.57 1.38 -0.35 0.00 0.00 0.00 175.76 176.25 1b40 n PRO 283 N 0.22 3.74 0.00 0.00 -0.04 -1.26 -4.89 135.00 132.77 1b40 n PRO 283 Ca 0.03 -2.21 0.15 0.00 -0.04 0.00 0.00 63.50 61.43 1b40 n PRO 283 Cb 0.45 -2.04 0.68 0.00 -0.04 0.00 0.00 33.50 32.56 1b40 n PRO 283 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1b40 n PHE 284 N 0.44 0.00 1.65 0.54 3.72 0.29 -2.75 117.46 121.35 1b40 n PHE 284 Ca 0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 1b40 n PHE 284 Cb 0.91 -0.08 0.56 0.00 -0.94 0.00 0.00 39.48 39.93 1b40 n PHE 284 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1b40 n ASN 285 N -0.66 0.84 -4.39 4.37 6.94 -0.96 -4.65 115.26 116.76 1b40 n ASN 285 Ca 0.18 -1.45 -0.42 0.00 -0.02 0.00 0.00 54.58 52.87 1b40 n ASN 285 Cb 0.25 -0.03 -0.10 0.00 -2.36 0.00 0.00 39.78 37.54 1b40 n ASN 285 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1b40 s ASP 286 N -1.74 5.90 0.44 0.53 -1.08 -1.11 -5.01 116.67 114.61 1b40 s ASP 286 Ca 0.35 -1.09 0.24 0.00 -0.52 0.00 0.00 52.55 51.53 1b40 s ASP 286 Cb 0.18 -2.08 1.26 0.00 -1.46 0.00 0.00 42.92 40.81 1b40 s ASP 286 CO 0.28 -0.47 1.77 1.62 0.52 0.00 0.00 175.17 178.90 1b40 h VAL 287 N 5.81 0.47 -0.82 1.11 3.04 -1.87 0.92 116.25 124.91 1b40 h VAL 287 Ca -0.26 -0.09 0.01 0.00 -1.01 0.00 0.00 66.70 65.35 1b40 h VAL 287 Cb 1.11 0.19 -0.04 0.00 -2.01 0.00 0.00 31.29 30.53 1b40 h VAL 287 CO 0.73 0.05 0.54 0.03 -1.01 0.00 0.00 177.57 177.91 1b40 h ARG 288 N 0.26 1.08 -0.14 4.17 3.08 -1.94 0.24 114.38 121.13 1b40 h ARG 288 Ca 0.60 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.56 1b40 h ARG 288 Cb 1.78 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 1b40 h ARG 288 CO -0.22 0.72 0.00 0.28 -1.07 0.00 0.00 179.97 179.68 1b40 h VAL 289 N 1.11 1.25 -0.85 2.04 2.07 -1.11 -1.82 116.25 118.94 1b40 h VAL 289 Ca 0.30 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1b40 h VAL 289 Cb -0.12 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1b40 h VAL 289 CO -0.06 0.24 0.47 0.03 0.02 0.00 0.00 177.57 178.26 1b40 h ARG 290 N -0.02 1.17 -0.30 1.57 3.08 -1.29 -2.35 114.38 116.25 1b40 h ARG 290 Ca 0.04 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 1b40 h ARG 290 Cb 0.37 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1b40 h ARG 290 CO 0.01 0.86 -0.35 1.15 -1.07 0.00 0.00 179.97 180.56 1b40 h THR 291 N 1.18 1.29 -0.47 2.04 2.02 -0.50 -2.57 112.91 115.91 1b40 h THR 291 Ca 0.30 -1.50 0.03 0.00 0.77 0.00 0.00 66.41 66.00 1b40 h THR 291 Cb 0.02 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1b40 h THR 291 CO -0.05 0.48 0.27 0.00 0.37 0.00 0.00 175.52 176.59 1b40 h ALA 292 N 1.04 0.60 -0.22 6.16 0.00 -0.81 -0.21 119.26 125.82 1b40 h ALA 292 Ca 0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1b40 h ALA 292 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1b40 h ALA 292 CO 0.08 -0.06 -0.31 -0.07 0.00 0.00 0.00 179.25 178.89 1b40 h LEU 293 N 0.53 0.47 -0.02 0.00 3.38 -1.41 -0.52 115.31 117.74 1b40 h LEU 293 Ca 0.19 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1b40 h LEU 293 Cb 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1b40 h LEU 293 CO -0.10 0.76 -0.00 0.50 0.09 0.00 0.00 178.44 179.69 1b40 h LYS 294 N 0.39 0.03 -0.30 1.13 3.64 -1.02 -2.97 116.57 117.47 1b40 h LYS 294 Ca 0.05 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 1b40 h LYS 294 Cb 0.74 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1b40 h LYS 294 CO 0.06 0.36 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.09 1b40 h LEU 295 N -0.30 0.84 -0.14 5.20 3.38 -1.00 -3.28 115.31 120.00 1b40 h LEU 295 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1b40 h LEU 295 Cb 0.35 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1b40 h LEU 295 CO 0.00 1.15 0.00 0.00 0.09 0.00 0.00 178.44 179.69 1b40 n ALA 296 N -2.53 2.10 -2.52 1.53 0.00 -0.21 -4.54 120.51 114.34 1b40 n ALA 296 Ca -0.03 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1b40 n ALA 296 Cb 0.56 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1b40 n ALA 296 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1b40 s LEU 297 N -3.97 4.36 -0.56 0.00 0.20 -1.12 -4.69 118.68 112.89 1b40 s LEU 297 Ca 0.10 1.88 -0.18 0.00 0.69 0.00 0.00 54.13 56.62 1b40 s LEU 297 Cb 0.13 -3.57 0.10 0.00 -0.43 0.00 0.00 46.19 42.42 1b40 s LEU 297 CO 0.50 -0.42 0.61 -0.62 -0.29 0.00 0.00 176.35 176.13 1b40 s ASP 298 N 1.09 6.19 0.24 3.68 -1.08 -1.26 -4.93 116.67 120.60 1b40 s ASP 298 Ca 0.56 -1.46 -0.05 0.00 -0.52 0.00 0.00 52.55 51.08 1b40 s ASP 298 Cb -0.26 -2.27 0.26 0.00 -1.46 0.00 0.00 42.92 39.19 1b40 s ASP 298 CO 0.28 -0.98 1.77 0.03 0.52 0.00 0.00 175.17 176.78 1b40 h ARG 299 N 9.05 0.98 -0.55 4.34 3.08 -1.93 -1.68 114.38 127.67 1b40 h ARG 299 Ca -0.29 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.57 1b40 h ARG 299 Cb 1.09 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 1b40 h ARG 299 CO 1.05 0.88 0.32 0.22 -1.07 0.00 0.00 179.97 181.37 1b40 h ASP 300 N 0.93 0.50 0.34 7.04 3.58 -1.96 0.75 116.42 127.61 1b40 h ASP 300 Ca 0.20 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1b40 h ASP 300 Cb 0.35 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1b40 h ASP 300 CO 0.00 0.35 -0.16 0.40 -2.88 0.00 0.00 179.24 176.95 1b40 h ILE 301 N 0.63 0.67 0.47 2.25 2.04 -1.91 -0.46 117.51 121.20 1b40 h ILE 301 Ca 0.23 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1b40 h ILE 301 Cb 0.06 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1b40 h ILE 301 CO -0.11 0.08 -0.25 0.40 0.00 0.00 0.00 178.15 178.27 1b40 h ILE 302 N -0.68 0.50 -0.00 -0.67 2.04 -1.02 0.26 117.51 117.94 1b40 h ILE 302 Ca -0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1b40 h ILE 302 Cb 0.48 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1b40 h ILE 302 CO 0.08 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.80 1b40 h VAL 303 N -0.66 1.60 0.07 1.67 2.07 0.43 0.03 116.25 121.47 1b40 h VAL 303 Ca -0.06 -1.78 -0.27 0.00 0.82 0.00 0.00 66.70 65.41 1b40 h VAL 303 Cb 0.52 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1b40 h VAL 303 CO 0.09 0.46 -1.39 0.78 0.02 0.00 0.00 177.57 177.54 1b40 h ASN 304 N -0.75 0.23 0.00 0.57 2.35 -1.21 0.44 115.58 117.21 1b40 h ASN 304 Ca -0.00 -0.30 -0.24 0.00 -0.55 0.00 0.00 56.30 55.20 1b40 h ASN 304 Cb 0.76 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.02 1b40 h ASN 304 CO 0.00 1.25 -1.62 0.29 -1.65 0.00 0.00 177.43 175.70 1b40 n LYS 305 N -3.37 0.55 0.11 0.81 4.76 -0.80 -4.15 118.16 116.08 1b40 n LYS 305 Ca -0.11 0.36 -0.19 0.00 -2.87 0.00 0.00 58.31 55.50 1b40 n LYS 305 Cb 1.01 -1.56 -0.15 0.00 -1.84 0.00 0.00 35.03 32.49 1b40 n LYS 305 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1b40 h VAL 306 N -1.00 1.38 0.00 -0.18 -1.51 -0.47 -3.40 116.25 111.07 1b40 h VAL 306 Ca -0.37 -2.91 -0.12 0.00 -1.23 0.00 0.00 66.70 62.07 1b40 h VAL 306 Cb 1.25 2.96 -0.02 0.00 -2.13 0.00 0.00 31.29 33.35 1b40 h VAL 306 CO -0.22 0.86 -1.21 1.17 -1.23 0.00 0.00 177.57 176.94 1b40 n LYS 307 N -3.59 0.52 -3.93 5.19 4.81 -0.01 -4.97 118.16 116.19 1b40 n LYS 307 Ca -0.12 0.36 -0.40 0.00 -0.87 0.00 0.00 58.31 57.27 1b40 n LYS 307 Cb 1.05 -1.56 0.02 0.00 0.02 0.00 0.00 35.03 34.57 1b40 n LYS 307 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1b40 n ASN 308 N -4.46 -4.59 -0.05 3.14 4.05 0.15 -4.88 115.26 108.62 1b40 n ASN 308 Ca -0.23 -1.18 0.03 0.00 0.45 0.00 0.00 54.58 53.65 1b40 n ASN 308 Cb 0.54 -2.17 0.04 0.00 1.23 0.00 0.00 39.78 39.42 1b40 n ASN 308 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1b40 n GLN 309 N -4.54 1.92 0.00 1.20 6.02 -1.26 -4.91 117.38 115.81 1b40 n GLN 309 Ca -0.12 -1.62 0.00 0.00 -0.01 0.00 0.00 57.00 55.25 1b40 n GLN 309 Cb 0.58 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.81 1b40 n GLN 309 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b40 n GLY 310 N -0.65 0.88 3.82 1.08 0.00 -1.26 -4.96 105.19 104.10 1b40 n GLY 310 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1b40 n GLY 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b40 s ASP 311 N -2.22 5.54 -0.16 1.61 1.01 -1.26 -4.74 116.67 116.45 1b40 s ASP 311 Ca 0.00 1.63 -0.02 0.00 0.71 0.00 0.00 52.55 54.87 1b40 s ASP 311 Cb 0.00 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 1b40 s ASP 311 CO 0.00 -1.33 -0.09 -0.76 0.21 0.00 0.00 175.17 173.20 1b40 s LEU 312 N -5.32 2.88 0.22 1.23 1.02 -1.05 -4.86 118.68 112.79 1b40 s LEU 312 Ca 0.59 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 54.14 1b40 s LEU 312 Cb -0.14 -1.68 -0.16 0.00 0.02 0.00 0.00 46.19 44.23 1b40 s LEU 312 CO 0.52 0.12 0.90 -2.65 0.02 0.00 0.00 176.35 175.26 1b40 n PRO 313 N 3.83 0.82 -4.22 1.29 -0.02 -1.26 -0.53 135.00 134.91 1b40 n PRO 313 Ca -0.18 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.29 1b40 n PRO 313 Cb 0.52 -1.59 -0.09 0.00 -0.02 0.00 0.00 33.50 32.32 1b40 n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b40 s ALA 314 N -0.76 3.09 0.00 3.55 0.00 -0.46 -4.64 121.76 122.53 1b40 s ALA 314 Ca 0.66 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1b40 s ALA 314 Cb -0.84 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1b40 s ALA 314 CO 0.57 0.66 0.40 2.48 0.00 0.00 0.00 175.76 179.87 1b40 n TYR 315 N 0.76 0.00 -4.11 0.00 0.18 -1.26 -4.53 117.16 108.20 1b40 n TYR 315 Ca -0.13 -0.08 -0.12 0.00 1.88 0.00 0.00 57.90 59.46 1b40 n TYR 315 Cb 0.52 -0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.40 1b40 n TYR 315 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1b40 s SER 316 N -0.16 0.28 -0.09 9.48 1.04 -1.26 -4.83 113.70 118.16 1b40 s SER 316 Ca 0.00 -1.25 -0.02 0.00 0.48 0.00 0.00 55.95 55.16 1b40 s SER 316 Cb 0.00 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 1b40 s SER 316 CO 0.00 -1.05 -0.03 0.22 0.98 0.00 0.00 173.24 173.36 1b40 h TYR 317 N 2.36 0.00 -3.32 5.02 3.20 -1.98 -3.45 116.97 118.81 1b40 h TYR 317 Ca -0.30 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.04 1b40 h TYR 317 Cb 1.25 0.00 0.06 0.00 1.54 0.00 0.00 36.73 39.58 1b40 h TYR 317 CO 0.65 0.00 0.81 0.99 -1.64 0.00 0.00 178.16 178.96 1b40 s THR 318 N -1.56 2.48 0.15 1.81 2.01 -1.26 -4.72 115.64 114.55 1b40 s THR 318 Ca -0.03 0.40 -0.31 0.00 0.31 0.00 0.00 61.69 62.07 1b40 s THR 318 Cb 0.00 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1b40 s THR 318 CO 0.04 0.06 1.41 -2.84 -0.69 0.00 0.00 174.62 172.60 1b40 s PRO 319 N -0.28 4.31 0.30 4.92 0.02 -1.26 -4.91 135.00 138.10 1b40 s PRO 319 Ca 0.61 2.15 0.25 0.00 0.02 0.00 0.00 61.00 64.03 1b40 s PRO 319 Cb -0.44 -3.21 1.07 0.00 0.02 0.00 0.00 34.50 31.94 1b40 s PRO 319 CO 0.43 -0.43 1.74 -1.00 -0.33 0.00 0.00 177.00 177.41 1b40 h PRO 320 N 6.33 0.00 -0.38 5.54 0.13 -1.93 -1.00 132.00 140.69 1b40 h PRO 320 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1b40 h PRO 320 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1b40 h PRO 320 CO 0.85 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 181.10 1b40 n TYR 321 N -2.33 0.49 -1.84 1.56 4.11 -1.26 -4.67 117.16 113.22 1b40 n TYR 321 Ca 0.01 -0.25 -0.40 0.00 -0.00 0.00 0.00 57.90 57.26 1b40 n TYR 321 Cb 0.21 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.55 1b40 n TYR 321 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1b40 s THR 322 N -1.51 2.15 -0.30 -3.48 2.01 -0.38 -4.89 115.64 109.24 1b40 s THR 322 Ca 0.35 0.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 1b40 s THR 322 Cb 0.19 -3.08 -0.08 0.00 0.01 0.00 0.00 72.50 69.54 1b40 s THR 322 CO 0.27 0.03 2.22 -0.67 -0.69 0.00 0.00 174.62 175.78 1b40 n ASP 323 N 0.12 2.67 0.00 3.53 -0.08 -1.26 -1.19 116.55 120.33 1b40 n ASP 323 Ca 0.03 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1b40 n ASP 323 Cb 0.41 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.46 1b40 n ASP 323 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b40 n GLY 324 N 6.16 0.53 3.70 0.27 0.00 -1.26 -4.06 105.19 110.53 1b40 n GLY 324 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 1b40 n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b40 s ALA 325 N -2.00 3.46 -0.44 4.61 0.00 -0.34 -4.60 121.76 122.46 1b40 s ALA 325 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1b40 s ALA 325 Cb 0.00 -2.81 0.20 0.00 0.00 0.00 0.00 23.12 20.51 1b40 s ALA 325 CO 0.00 -0.20 0.43 1.63 0.00 0.00 0.00 175.76 177.62 1b40 n LYS 326 N 4.14 0.59 -3.27 0.00 5.02 -1.26 -4.82 118.16 118.55 1b40 n LYS 326 Ca -0.04 -3.37 -0.33 0.00 -2.02 0.00 0.00 58.31 52.55 1b40 n LYS 326 Cb 0.51 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 1b40 n LYS 326 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b40 s LEU 327 N -0.56 4.16 -0.37 -0.35 1.43 -1.26 -4.66 118.68 117.06 1b40 s LEU 327 Ca 0.33 1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 54.38 1b40 s LEU 327 Cb 0.08 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1b40 s LEU 327 CO -0.16 -0.10 0.45 -0.69 0.23 0.00 0.00 176.35 176.08 1b40 s VAL 328 N -1.82 5.07 -0.12 -1.59 1.01 -1.26 -5.04 120.40 116.65 1b40 s VAL 328 Ca 0.49 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1b40 s VAL 328 Cb -0.12 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1b40 s VAL 328 CO 0.19 -0.25 1.42 -0.70 0.00 0.00 0.00 175.10 175.76 1b40 s GLU 329 N 2.23 4.21 0.78 2.72 2.12 -1.26 -4.96 118.70 124.54 1b40 s GLU 329 Ca 0.15 1.87 -0.12 0.00 0.36 0.00 0.00 54.97 57.23 1b40 s GLU 329 Cb -0.16 -3.85 0.07 0.00 0.26 0.00 0.00 34.13 30.45 1b40 s GLU 329 CO 0.13 -0.76 1.13 -1.25 -0.54 0.00 0.00 175.26 173.97 1b40 s PRO 330 N 3.71 2.00 0.26 4.30 0.04 -1.26 -4.95 135.00 139.10 1b40 s PRO 330 Ca 0.62 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 1b40 s PRO 330 Cb -0.26 -1.85 0.31 0.00 0.04 0.00 0.00 34.50 32.73 1b40 s PRO 330 CO 0.20 -1.87 1.91 0.93 0.04 0.00 0.00 177.00 178.22 1b40 h GLU 331 N -1.00 1.22 0.00 4.56 4.39 -2.02 -2.92 114.58 118.81 1b40 h GLU 331 Ca -0.45 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.15 1b40 h GLU 331 Cb 1.25 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1b40 h GLU 331 CO 0.49 0.84 -0.01 0.11 -1.16 0.00 0.00 179.01 179.28 1b40 h TRP 332 N 1.24 0.00 -0.06 4.33 5.08 -1.98 -1.60 115.95 122.96 1b40 h TRP 332 Ca 0.33 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.22 1b40 h TRP 332 Cb -0.07 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.08 1b40 h TRP 332 CO 0.00 0.01 -0.31 0.35 -1.28 0.00 0.00 178.44 177.21 1b40 h PHE 333 N 0.00 0.12 0.00 0.12 3.57 -1.89 -2.90 116.94 115.96 1b40 h PHE 333 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1b40 h PHE 333 Cb 0.02 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1b40 h PHE 333 CO 0.00 0.41 -0.11 0.87 -2.23 0.00 0.00 178.31 177.26 1b40 h LYS 334 N 0.10 0.00 -7.14 1.11 1.57 -1.43 -3.47 116.57 107.31 1b40 h LYS 334 Ca 0.01 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.38 1b40 h LYS 334 Cb 0.61 0.00 0.21 0.00 0.08 0.00 0.00 32.23 33.13 1b40 h LYS 334 CO 0.04 0.00 -0.02 -1.58 -0.57 0.00 0.00 179.45 177.33 1b40 s TRP 335 N -3.21 0.71 0.73 -1.35 0.51 -1.10 -5.01 118.94 110.22 1b40 s TRP 335 Ca 0.07 0.91 -0.11 0.00 -2.12 0.00 0.00 56.10 54.84 1b40 s TRP 335 Cb 0.07 -3.06 0.03 0.00 -0.81 0.00 0.00 33.47 29.70 1b40 s TRP 335 CO 0.67 -4.22 1.10 -1.54 -0.51 0.00 0.00 176.95 172.45 1b40 s SER 336 N -2.86 5.22 0.23 2.95 1.04 -1.26 -4.94 113.70 114.09 1b40 s SER 336 Ca 0.68 1.14 0.02 0.00 0.48 0.00 0.00 55.95 58.27 1b40 s SER 336 Cb -0.20 -1.91 0.24 0.00 0.10 0.00 0.00 66.02 64.25 1b40 s SER 336 CO 0.62 -1.48 1.57 -0.61 0.98 0.00 0.00 173.24 174.31 1b40 h GLN 337 N -0.75 0.38 -0.45 4.02 5.75 -1.96 -2.34 115.11 119.75 1b40 h GLN 337 Ca -0.45 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 57.76 1b40 h GLN 337 Cb 1.26 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.82 1b40 h GLN 337 CO 0.63 0.82 0.06 -0.56 -2.65 0.00 0.00 178.83 177.13 1b40 h GLN 338 N 0.30 0.75 -0.70 1.69 -0.00 -1.98 0.59 115.11 115.75 1b40 h GLN 338 Ca 0.01 -0.21 -0.05 0.00 -0.00 0.00 0.00 58.65 58.40 1b40 h GLN 338 Cb 1.03 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.48 28.39 1b40 h GLN 338 CO 0.09 0.78 0.23 -0.22 -0.00 0.00 0.00 178.83 179.71 1b40 h LYS 339 N 0.61 1.08 -0.71 0.06 3.64 -1.93 0.20 116.57 119.52 1b40 h LYS 339 Ca 0.13 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1b40 h LYS 339 Cb 0.40 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1b40 h LYS 339 CO 0.01 0.92 0.45 0.00 -2.27 0.00 0.00 179.45 178.56 1b40 h ARG 340 N 1.03 0.95 -0.62 1.90 3.08 -0.83 -2.58 114.38 117.30 1b40 h ARG 340 Ca 0.23 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1b40 h ARG 340 Cb 0.28 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1b40 h ARG 340 CO -0.01 0.65 0.29 -0.91 -1.07 0.00 0.00 179.97 178.92 1b40 h ASN 341 N 0.96 0.83 -0.06 7.04 2.35 0.99 -0.91 115.58 126.77 1b40 h ASN 341 Ca 0.26 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1b40 h ASN 341 Cb -0.07 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 1b40 h ASN 341 CO -0.05 0.74 0.02 -0.33 -1.65 0.00 0.00 177.43 176.16 1b40 h GLU 342 N 0.86 0.09 -0.51 0.81 4.39 -0.43 -1.31 114.58 118.49 1b40 h GLU 342 Ca 0.21 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 60.00 1b40 h GLU 342 Cb 0.14 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.69 1b40 h GLU 342 CO -0.02 0.23 0.02 1.49 -1.16 0.00 0.00 179.01 179.56 1b40 h GLU 343 N -0.06 0.14 -0.07 2.33 4.57 -1.40 -0.61 114.58 119.48 1b40 h GLU 343 Ca 0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1b40 h GLU 343 Cb 0.17 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1b40 h GLU 343 CO -0.00 0.09 0.04 0.00 -1.18 0.00 0.00 179.01 177.96 1b40 h ALA 344 N 1.45 0.09 -0.76 2.92 0.00 -0.99 -1.44 119.26 120.53 1b40 h ALA 344 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1b40 h ALA 344 Cb 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1b40 h ALA 344 CO -0.41 -0.41 0.39 0.87 0.00 0.00 0.00 179.25 179.69 1b40 h LYS 345 N 0.07 1.06 -0.15 0.00 1.57 -0.67 -2.02 116.57 116.44 1b40 h LYS 345 Ca 0.03 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1b40 h LYS 345 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1b40 h LYS 345 CO -0.01 0.80 0.09 -0.22 -0.57 0.00 0.00 179.45 179.54 1b40 h LYS 346 N 1.06 0.20 -0.81 3.15 3.64 -0.91 -1.39 116.57 121.52 1b40 h LYS 346 Ca 0.27 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1b40 h LYS 346 Cb 0.06 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1b40 h LYS 346 CO -0.04 0.17 0.38 -0.07 -2.27 0.00 0.00 179.45 177.62 1b40 h LEU 347 N 0.17 1.06 -0.31 5.20 3.38 -0.93 0.25 115.31 124.14 1b40 h LEU 347 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1b40 h LEU 347 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1b40 h LEU 347 CO -0.01 0.91 0.14 -0.07 0.09 0.00 0.00 178.44 179.50 1b40 h LEU 348 N 1.15 0.42 -0.68 1.67 3.38 -1.22 0.65 115.31 120.68 1b40 h LEU 348 Ca 0.28 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1b40 h LEU 348 Cb 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1b40 h LEU 348 CO -0.03 0.45 0.38 0.00 0.09 0.00 0.00 178.44 179.33 1b40 h ALA 349 N 0.99 0.91 0.00 1.53 0.00 -0.83 0.22 119.26 122.08 1b40 h ALA 349 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1b40 h ALA 349 Cb 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1b40 h ALA 349 CO -0.01 0.06 -0.02 0.93 0.00 0.00 0.00 179.25 180.21 1b40 h GLU 350 N 0.70 0.00 0.00 0.00 5.08 -0.33 0.22 114.58 120.25 1b40 h GLU 350 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1b40 h GLU 350 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1b40 h GLU 350 CO -0.18 0.02 -0.02 0.00 -1.00 0.00 0.00 179.01 177.82 1b40 n ALA 351 N -2.45 2.38 -0.49 3.43 0.00 0.69 -4.90 120.51 119.18 1b40 n ALA 351 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1b40 n ALA 351 Cb 0.10 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1b40 n ALA 351 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b40 n GLY 352 N 1.49 1.11 3.66 0.00 0.00 0.07 -5.07 105.19 106.45 1b40 n GLY 352 Ca 0.07 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1b40 n GLY 352 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b40 s PHE 353 N -2.00 3.37 0.47 1.61 0.08 -0.84 -5.00 117.98 115.67 1b40 s PHE 353 Ca 0.00 0.91 0.06 0.00 0.12 0.00 0.00 56.93 58.03 1b40 s PHE 353 Cb 0.00 -2.79 -0.01 0.00 -0.57 0.00 0.00 43.02 39.65 1b40 s PHE 353 CO 0.00 -0.18 0.31 0.95 -0.10 0.00 0.00 175.22 176.20 1b40 s THR 354 N 1.92 2.08 0.22 0.64 -4.23 -0.74 -4.28 115.64 111.25 1b40 s THR 354 Ca 0.28 -1.54 0.10 0.00 -1.18 0.00 0.00 61.69 59.36 1b40 s THR 354 Cb -0.16 -2.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 1b40 s THR 354 CO 0.10 0.00 1.54 0.00 -0.54 0.00 0.00 174.62 175.73 1b40 h ALA 355 N 1.05 0.83 -0.13 3.99 0.00 -1.97 -2.14 119.26 120.90 1b40 h ALA 355 Ca -0.40 -0.62 -0.18 0.00 0.00 0.00 0.00 54.91 53.71 1b40 h ALA 355 Cb 1.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1b40 h ALA 355 CO 0.62 0.85 -0.67 0.22 0.00 0.00 0.00 179.25 180.27 1b40 h ASP 356 N 0.00 0.60 -3.07 0.00 3.58 -2.02 -3.35 116.42 112.17 1b40 h ASP 356 Ca -0.01 -0.37 -0.62 0.00 0.42 0.00 0.00 57.03 56.46 1b40 h ASP 356 Cb 1.24 -0.18 -0.41 0.00 1.72 0.00 0.00 39.33 41.70 1b40 h ASP 356 CO 0.09 1.11 -0.64 -0.54 -2.88 0.00 0.00 179.24 176.38 1b40 s LYS 357 N -3.77 2.17 0.99 0.28 1.02 -1.08 -5.11 119.74 114.24 1b40 s LYS 357 Ca -0.07 -3.09 -0.13 0.00 0.02 0.00 0.00 55.97 52.70 1b40 s LYS 357 Cb 0.10 -3.08 0.18 0.00 -0.52 0.00 0.00 37.83 34.51 1b40 s LYS 357 CO 0.85 -1.29 1.11 -1.25 -0.92 0.00 0.00 175.35 173.86 1b40 s PRO 358 N -1.12 0.53 -0.32 -1.68 0.04 -0.83 -1.79 135.00 129.83 1b40 s PRO 358 Ca 0.25 0.36 -0.20 0.00 0.04 0.00 0.00 61.00 61.45 1b40 s PRO 358 Cb -0.05 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 1b40 s PRO 358 CO -0.16 -2.63 0.64 -1.17 0.04 0.00 0.00 177.00 173.72 1b40 s LEU 359 N -6.34 4.17 -0.06 -3.56 2.96 -1.26 -4.88 118.68 109.70 1b40 s LEU 359 Ca 0.65 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 1b40 s LEU 359 Cb -0.16 -2.82 0.01 0.00 0.50 0.00 0.00 46.19 43.71 1b40 s LEU 359 CO 0.56 -0.51 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.03 1b40 s THR 360 N 2.64 1.38 0.37 3.68 2.01 -1.26 -0.57 115.64 123.90 1b40 s THR 360 Ca 0.25 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 1b40 s THR 360 Cb -0.15 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.19 1b40 s THR 360 CO 0.12 0.41 0.77 0.72 -0.69 0.00 0.00 174.62 175.95 1b40 s PHE 361 N 0.39 0.11 0.06 4.92 -0.12 -0.00 -4.98 117.98 118.37 1b40 s PHE 361 Ca -0.12 -0.74 -0.02 0.00 -0.05 0.00 0.00 56.93 56.00 1b40 s PHE 361 Cb -0.15 0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 1b40 s PHE 361 CO 0.04 -1.51 0.25 -0.51 -0.05 0.00 0.00 175.22 173.45 1b40 s ASP 362 N -3.05 6.41 -0.26 1.98 1.11 -1.26 0.30 116.67 121.89 1b40 s ASP 362 Ca 0.15 0.39 -0.00 0.00 0.18 0.00 0.00 52.55 53.27 1b40 s ASP 362 Cb -0.05 -2.01 0.08 0.00 1.07 0.00 0.00 42.92 42.00 1b40 s ASP 362 CO 0.11 0.16 0.02 -0.22 1.18 0.00 0.00 175.17 176.43 1b40 s LEU 363 N -2.38 2.42 -0.05 1.23 2.96 0.12 -2.48 118.68 120.50 1b40 s LEU 363 Ca 0.35 -1.36 -0.18 0.00 -0.22 0.00 0.00 54.13 52.72 1b40 s LEU 363 Cb -0.13 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 1b40 s LEU 363 CO 0.25 -0.32 0.48 -0.22 -1.32 0.00 0.00 176.35 175.22 1b40 s LEU 364 N 1.51 4.38 0.06 -0.68 2.96 -0.56 -0.69 118.68 125.65 1b40 s LEU 364 Ca 0.02 0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1b40 s LEU 364 Cb -0.18 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 1b40 s LEU 364 CO -0.13 0.13 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.28 1b40 s TYR 365 N -0.15 0.57 -0.05 5.38 1.13 0.25 -0.50 117.35 123.98 1b40 s TYR 365 Ca 0.26 -0.94 -0.27 0.00 -1.41 0.00 0.00 57.07 54.72 1b40 s TYR 365 Cb -0.16 -0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 40.27 1b40 s TYR 365 CO 0.13 -0.29 0.84 0.54 -2.51 0.00 0.00 175.55 174.25 1b40 s ASN 366 N -2.69 7.16 -0.24 -0.18 4.22 -1.26 -2.38 114.94 119.57 1b40 s ASN 366 Ca 0.04 1.40 -0.28 0.00 -2.14 0.00 0.00 52.86 51.88 1b40 s ASN 366 Cb 0.04 -2.49 -0.12 0.00 1.28 0.00 0.00 41.25 39.96 1b40 s ASN 366 CO -0.07 -0.21 0.91 0.41 -2.04 0.00 0.00 177.10 176.10 1b40 n THR 367 N 3.92 0.00 -3.65 0.54 -1.04 -0.39 -4.79 114.28 108.88 1b40 n THR 367 Ca 0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.01 1b40 n THR 367 Cb 0.51 -0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.72 1b40 n THR 367 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1b40 s SER 368 N 1.41 -0.02 0.05 8.00 0.15 -1.26 -4.84 113.70 117.18 1b40 s SER 368 Ca 0.62 0.04 -0.26 0.00 0.70 0.00 0.00 55.95 57.06 1b40 s SER 368 Cb -0.89 0.04 -0.17 0.00 -1.71 0.00 0.00 66.02 63.29 1b40 s SER 368 CO 0.47 -0.01 1.52 0.44 1.20 0.00 0.00 173.24 176.86 1b40 h ASP 369 N 2.80 -0.20 -0.23 5.45 3.32 -1.91 -0.84 116.42 124.80 1b40 h ASP 369 Ca -0.22 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 56.76 1b40 h ASP 369 Cb 1.20 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 1b40 h ASP 369 CO 0.19 0.00 -0.33 0.25 -1.72 0.00 0.00 179.24 177.64 1b40 h LEU 370 N -0.40 -1.05 -0.95 1.55 5.85 -1.91 0.31 115.31 118.71 1b40 h LEU 370 Ca -0.02 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1b40 h LEU 370 Cb 0.31 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1b40 h LEU 370 CO 0.04 -0.35 -0.33 0.45 -0.34 0.00 0.00 178.44 177.92 1b40 h HIS 371 N -0.35 0.41 0.13 1.25 3.86 -1.85 0.48 115.15 119.10 1b40 h HIS 371 Ca 0.12 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1b40 h HIS 371 Cb 0.54 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1b40 h HIS 371 CO -0.46 0.65 -0.06 -0.22 0.86 0.00 0.00 177.93 178.70 1b40 h LYS 372 N 0.31 -0.17 -0.75 2.45 3.64 -0.57 0.11 116.57 121.59 1b40 h LYS 372 Ca 0.04 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1b40 h LYS 372 Cb 0.73 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.53 1b40 h LYS 372 CO 0.06 0.14 0.42 0.87 -2.27 0.00 0.00 179.45 178.67 1b40 h LYS 373 N -0.49 0.72 -0.31 1.90 1.57 -0.81 0.34 116.57 119.49 1b40 h LYS 373 Ca -0.02 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1b40 h LYS 373 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1b40 h LYS 373 CO 0.03 0.47 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.06 1b40 h LEU 374 N 0.74 0.62 -1.18 2.94 3.38 -0.83 -2.40 115.31 118.57 1b40 h LEU 374 Ca 0.35 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1b40 h LEU 374 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1b40 h LEU 374 CO -0.22 0.85 0.17 0.00 0.09 0.00 0.00 178.44 179.32 1b40 h ALA 375 N 1.20 1.35 -0.15 1.53 0.00 0.12 -0.39 119.26 122.91 1b40 h ALA 375 Ca 0.07 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1b40 h ALA 375 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1b40 h ALA 375 CO 0.05 0.48 -0.49 0.82 0.00 0.00 0.00 179.25 180.11 1b40 h ILE 376 N 0.73 1.34 -0.54 0.00 2.04 -0.90 -0.43 117.51 119.73 1b40 h ILE 376 Ca 0.17 -1.77 -0.11 0.00 1.00 0.00 0.00 64.86 64.15 1b40 h ILE 376 Cb 0.20 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1b40 h ILE 376 CO -0.01 0.54 -0.10 0.00 0.00 0.00 0.00 178.15 178.58 1b40 h ALA 377 N 0.53 0.79 -0.05 1.87 0.00 -1.22 -1.29 119.26 119.89 1b40 h ALA 377 Ca -0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1b40 h ALA 377 Cb 1.12 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1b40 h ALA 377 CO 0.10 0.67 0.03 0.28 0.00 0.00 0.00 179.25 180.33 1b40 h VAL 378 N 0.91 1.11 -0.60 0.00 2.07 -1.03 0.14 116.25 118.85 1b40 h VAL 378 Ca 0.14 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.46 1b40 h VAL 378 Cb 0.66 1.23 -0.12 0.00 -1.52 0.00 0.00 31.29 31.55 1b40 h VAL 378 CO 0.05 0.09 -0.19 0.00 0.02 0.00 0.00 177.57 177.54 1b40 h ALA 379 N 0.90 0.32 0.06 1.67 0.00 -0.71 0.21 119.26 121.70 1b40 h ALA 379 Ca 0.02 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1b40 h ALA 379 Cb 0.13 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1b40 h ALA 379 CO -0.00 -0.47 -0.03 1.03 0.00 0.00 0.00 179.25 179.78 1b40 h SER 380 N -0.04 -0.07 -0.13 0.00 0.87 -0.94 0.22 113.55 113.46 1b40 h SER 380 Ca 0.28 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1b40 h SER 380 Cb 0.47 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 1b40 h SER 380 CO -0.63 0.00 -0.10 0.40 -0.53 0.00 0.00 176.83 175.97 1b40 h ILE 381 N -0.13 0.71 -0.71 2.23 2.04 -0.40 0.37 117.51 121.62 1b40 h ILE 381 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1b40 h ILE 381 Cb 0.11 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1b40 h ILE 381 CO 0.01 0.00 0.23 -0.50 0.00 0.00 0.00 178.15 177.89 1b40 h TRP 382 N -0.11 1.12 0.48 1.37 6.55 -0.87 0.52 115.95 125.01 1b40 h TRP 382 Ca 0.08 -0.10 -0.02 0.00 0.95 0.00 0.00 58.89 59.80 1b40 h TRP 382 Cb 0.23 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 1b40 h TRP 382 CO -0.23 0.88 -0.23 -0.22 -1.05 0.00 0.00 178.44 177.59 1b40 h LYS 383 N 1.05 -0.62 0.00 0.49 1.63 0.37 -0.08 116.57 119.42 1b40 h LYS 383 Ca 0.23 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.04 1b40 h LYS 383 Cb 0.28 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1b40 h LYS 383 CO -0.01 -0.36 -0.18 1.57 -3.45 0.00 0.00 179.45 177.01 1b40 h LYS 384 N -0.74 0.00 0.00 1.90 2.10 -0.15 -0.85 116.57 118.83 1b40 h LYS 384 Ca -0.07 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.39 1b40 h LYS 384 Cb 0.54 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.84 1b40 h LYS 384 CO 0.11 0.18 -1.65 0.09 -2.00 0.00 0.00 179.45 176.19 1b40 n ASN 385 N -3.18 0.65 0.00 7.07 3.02 0.18 -4.60 115.26 118.39 1b40 n ASN 385 Ca 0.02 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1b40 n ASN 385 Cb 0.55 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 1b40 n ASN 385 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1b40 n LEU 386 N -2.82 0.11 -0.24 3.41 7.94 -0.08 -4.82 117.00 120.50 1b40 n LEU 386 Ca -0.13 -0.29 -0.03 0.00 -1.11 0.00 0.00 56.01 54.45 1b40 n LEU 386 Cb 0.88 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.82 1b40 n LEU 386 CO 0.43 0.03 -0.03 0.61 -1.11 0.00 0.00 177.39 177.32 1b40 n GLY 387 N 0.37 0.47 3.90 -3.96 0.00 -0.33 -4.92 105.19 100.73 1b40 n GLY 387 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1b40 n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b40 s VAL 388 N -2.11 5.34 -0.19 1.61 -7.23 -1.17 -4.47 120.40 112.18 1b40 s VAL 388 Ca 0.00 -0.05 -0.08 0.00 -1.81 0.00 0.00 61.98 60.04 1b40 s VAL 388 Cb 0.00 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1b40 s VAL 388 CO 0.00 0.27 0.07 0.20 -0.31 0.00 0.00 175.10 175.33 1b40 s ASN 389 N -2.01 5.69 -0.06 4.85 0.01 0.27 -3.73 114.94 119.95 1b40 s ASN 389 Ca 0.30 0.09 0.06 0.00 -0.71 0.00 0.00 52.86 52.60 1b40 s ASN 389 Cb -0.13 -1.98 -0.01 0.00 0.41 0.00 0.00 41.25 39.54 1b40 s ASN 389 CO 0.20 0.17 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.03 1b40 s VAL 390 N 0.41 1.95 -0.26 1.60 1.01 -1.26 -0.82 120.40 123.02 1b40 s VAL 390 Ca 0.04 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1b40 s VAL 390 Cb -0.12 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1b40 s VAL 390 CO 0.00 0.54 0.07 0.20 0.00 0.00 0.00 175.10 175.92 1b40 s ASN 391 N -0.10 5.12 0.10 3.32 -0.87 0.15 -4.93 114.94 117.73 1b40 s ASN 391 Ca -0.05 -0.36 -0.30 0.00 -1.57 0.00 0.00 52.86 50.58 1b40 s ASN 391 Cb -0.14 -1.91 -0.06 0.00 -0.02 0.00 0.00 41.25 39.13 1b40 s ASN 391 CO 0.04 -0.09 1.04 -0.76 -2.57 0.00 0.00 177.10 174.76 1b40 s LEU 392 N 1.58 4.45 -0.02 0.60 1.02 -1.26 0.11 118.68 125.15 1b40 s LEU 392 Ca 0.05 1.88 0.00 0.00 0.02 0.00 0.00 54.13 56.09 1b40 s LEU 392 Cb -0.16 -3.59 0.03 0.00 0.02 0.00 0.00 46.19 42.49 1b40 s LEU 392 CO 0.03 -0.21 0.02 -1.61 0.02 0.00 0.00 176.35 174.60 1b40 s GLU 393 N 0.29 0.05 0.13 1.70 2.02 0.14 -4.90 118.70 118.12 1b40 s GLU 393 Ca 0.51 0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.71 1b40 s GLU 393 Cb -0.25 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.64 1b40 s GLU 393 CO 0.31 -0.15 0.00 0.54 0.02 0.00 0.00 175.26 175.98 1b40 s ASN 394 N 1.01 4.91 -0.00 -0.19 4.22 -1.26 -0.58 114.94 123.05 1b40 s ASN 394 Ca -0.09 -0.28 -0.04 0.00 -2.14 0.00 0.00 52.86 50.30 1b40 s ASN 394 Cb -0.13 -1.11 -0.00 0.00 1.28 0.00 0.00 41.25 41.29 1b40 s ASN 394 CO -0.03 0.13 0.08 -1.10 -2.04 0.00 0.00 177.10 174.14 1b40 s GLN 395 N -2.65 0.35 0.63 3.55 -0.21 -1.00 -4.88 119.66 115.46 1b40 s GLN 395 Ca 0.27 -0.35 -0.18 0.00 0.02 0.00 0.00 55.36 55.12 1b40 s GLN 395 Cb -0.10 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 34.02 1b40 s GLN 395 CO 0.18 -0.07 1.11 -1.91 -2.12 0.00 0.00 175.29 172.48 1b40 n GLU 396 N 1.83 0.97 -0.32 2.91 2.13 -1.26 -1.26 120.64 125.65 1b40 n GLU 396 Ca -0.21 0.38 -0.00 0.00 0.66 0.00 0.00 57.16 57.99 1b40 n GLU 396 Cb 0.56 -2.33 0.06 0.00 0.27 0.00 0.00 31.44 30.00 1b40 n GLU 396 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1b40 h TRP 397 N 0.47 -0.83 -0.25 4.31 -0.00 -1.91 -1.09 115.95 116.66 1b40 h TRP 397 Ca -0.50 0.09 0.03 0.00 -0.00 0.00 0.00 58.89 58.51 1b40 h TRP 397 Cb 1.35 0.49 -0.03 0.00 -0.00 0.00 0.00 29.16 30.98 1b40 h TRP 397 CO 0.39 -0.39 0.05 -0.22 -0.00 0.00 0.00 178.44 178.27 1b40 h LYS 398 N -0.04 0.15 -0.56 2.65 3.11 -1.91 -1.83 116.57 118.13 1b40 h LYS 398 Ca 0.35 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 58.07 1b40 h LYS 398 Cb 0.61 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.78 1b40 h LYS 398 CO -0.89 0.10 -0.08 1.15 -2.81 0.00 0.00 179.45 176.91 1b40 h THR 399 N 0.15 1.27 -0.13 1.00 2.02 -1.74 -2.80 112.91 112.68 1b40 h THR 399 Ca 0.11 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.07 1b40 h THR 399 Cb 0.11 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1b40 h THR 399 CO -0.15 0.44 -0.01 0.15 0.37 0.00 0.00 175.52 176.33 1b40 h PHE 400 N 0.93 -0.03 -0.62 3.16 3.57 -0.84 0.62 116.94 123.74 1b40 h PHE 400 Ca 0.15 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1b40 h PHE 400 Cb 0.65 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1b40 h PHE 400 CO 0.04 -0.03 0.40 -0.07 -2.23 0.00 0.00 178.31 176.42 1b40 h LEU 401 N 0.03 0.68 -0.76 0.59 3.38 -1.30 -2.34 115.31 115.59 1b40 h LEU 401 Ca 0.06 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1b40 h LEU 401 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1b40 h LEU 401 CO -0.11 0.48 0.08 -0.78 0.09 0.00 0.00 178.44 178.20 1b40 h ASP 402 N 0.80 0.98 -0.32 -0.43 3.58 -1.19 -1.01 116.42 118.84 1b40 h ASP 402 Ca 0.23 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1b40 h ASP 402 Cb -0.05 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.71 1b40 h ASP 402 CO -0.07 0.99 0.17 0.74 -2.88 0.00 0.00 179.24 178.19 1b40 h THR 403 N 0.96 1.01 -0.95 2.25 2.02 0.69 -1.19 112.91 117.70 1b40 h THR 403 Ca 0.19 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1b40 h THR 403 Cb 0.44 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1b40 h THR 403 CO 0.01 0.07 0.60 0.03 0.37 0.00 0.00 175.52 176.60 1b40 h ARG 404 N 0.36 1.27 -0.51 6.66 3.08 -0.88 -1.56 114.38 122.79 1b40 h ARG 404 Ca 0.13 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1b40 h ARG 404 Cb 0.02 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 1b40 h ARG 404 CO -0.08 0.86 0.07 0.45 -1.07 0.00 0.00 179.97 180.21 1b40 h HIS 405 N 1.30 0.85 0.00 3.04 3.86 -0.78 -2.70 115.15 120.71 1b40 h HIS 405 Ca 0.34 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1b40 h HIS 405 Cb -0.10 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1b40 h HIS 405 CO 0.00 0.74 -0.19 1.96 0.86 0.00 0.00 177.93 181.30 1b40 h GLN 406 N 0.77 0.00 0.00 2.45 4.20 -0.24 -3.46 115.11 118.83 1b40 h GLN 406 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1b40 h GLN 406 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1b40 h GLN 406 CO 0.01 0.19 0.00 0.41 -0.67 0.00 0.00 178.83 178.77 1b40 n GLY 407 N -0.44 0.54 2.46 3.46 0.00 -0.92 -4.93 105.19 105.35 1b40 n GLY 407 Ca -0.01 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1b40 n GLY 407 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b40 n THR 408 N -2.84 4.75 -3.82 2.61 -2.24 -1.15 -4.87 114.28 106.72 1b40 n THR 408 Ca 0.00 -3.88 -0.06 0.00 -2.27 0.00 0.00 64.05 57.84 1b40 n THR 408 Cb 0.00 -2.00 -0.01 0.00 -2.10 0.00 0.00 70.33 66.21 1b40 n THR 408 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1b40 s PHE 409 N -1.03 -0.14 0.00 4.78 -0.71 -1.26 -4.93 117.98 114.69 1b40 s PHE 409 Ca 0.56 -0.28 0.00 0.00 -1.04 0.00 0.00 56.93 56.18 1b40 s PHE 409 Cb 0.23 0.69 0.00 0.00 -1.21 0.00 0.00 43.02 42.73 1b40 s PHE 409 CO -0.12 -1.11 0.00 -0.25 -1.34 0.00 0.00 175.22 172.41 1b40 n ASP 410 N -0.55 0.00 -4.17 1.98 8.00 -1.26 -4.68 116.55 115.87 1b40 n ASP 410 Ca -0.05 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.23 1b40 n ASP 410 Cb 0.60 -0.31 -0.14 0.00 -0.02 0.00 0.00 41.12 41.25 1b40 n ASP 410 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b40 s VAL 411 N -0.80 1.28 -0.04 2.53 1.01 -1.03 -0.58 120.40 122.76 1b40 s VAL 411 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1b40 s VAL 411 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1b40 s VAL 411 CO 0.00 0.10 0.16 0.00 0.00 0.00 0.00 175.10 175.36 1b40 s ALA 412 N -0.77 -0.38 0.34 5.51 0.00 0.41 -1.50 121.76 125.36 1b40 s ALA 412 Ca 0.04 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1b40 s ALA 412 Cb -0.08 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 22.77 1b40 s ALA 412 CO 0.01 -0.11 1.33 0.50 0.00 0.00 0.00 175.76 177.50 1b40 s ARG 413 N -0.29 4.32 0.15 0.00 3.00 0.35 0.18 118.95 126.65 1b40 s ARG 413 Ca -0.04 2.27 -0.13 0.00 -1.00 0.00 0.00 55.73 56.83 1b40 s ARG 413 Cb -0.03 -3.05 0.01 0.00 0.00 0.00 0.00 34.95 31.88 1b40 s ARG 413 CO 0.01 -0.24 0.37 0.00 0.00 0.00 0.00 175.30 175.43 1b40 s ALA 414 N -1.14 -0.54 -0.17 6.12 0.00 -0.39 -4.78 121.76 120.87 1b40 s ALA 414 Ca 0.49 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1b40 s ALA 414 Cb -0.41 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.52 1b40 s ALA 414 CO 0.55 -0.67 0.40 0.20 0.00 0.00 0.00 175.76 176.24 1b40 s GLY 415 N -2.88 -0.31 -0.06 0.00 0.00 -1.26 -2.08 107.32 100.72 1b40 s GLY 415 Ca 0.09 1.48 0.05 0.00 0.00 0.00 0.00 44.72 46.35 1b40 s GLY 415 CO -0.06 1.71 -0.24 0.86 0.00 0.00 0.00 173.10 175.37 1b40 s TRP 416 N 1.48 2.35 -0.05 1.90 -0.11 -0.65 -4.94 118.94 118.92 1b40 s TRP 416 Ca -0.09 -0.75 0.05 0.00 1.22 0.00 0.00 56.10 56.53 1b40 s TRP 416 Cb -0.09 -1.55 -0.02 0.00 -1.50 0.00 0.00 33.47 30.31 1b40 s TRP 416 CO -0.12 -0.25 -0.20 0.00 -4.62 0.00 0.00 176.95 171.76 1b40 n ALA 418 N 2.63 1.73 0.04 0.00 0.00 -0.45 -4.92 120.51 119.54 1b40 n ALA 418 Ca -0.17 0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.47 1b40 n ALA 418 Cb 0.52 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 1b40 n ALA 418 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b40 n ASP 419 N -0.60 0.81 -3.67 0.00 8.00 -1.26 -4.93 116.55 114.90 1b40 n ASP 419 Ca 0.08 0.35 -0.14 0.00 0.71 0.00 0.00 54.79 55.79 1b40 n ASP 419 Cb 0.43 0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.75 1b40 n ASP 419 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1b40 s TYR 420 N -3.01 -0.30 -1.10 1.24 1.13 -1.26 -4.66 117.35 109.39 1b40 s TYR 420 Ca -0.03 0.39 -0.19 0.00 -1.41 0.00 0.00 57.07 55.83 1b40 s TYR 420 Cb 0.09 0.21 0.10 0.00 -1.10 0.00 0.00 41.96 41.25 1b40 s TYR 420 CO 0.81 -0.52 1.44 1.21 -2.51 0.00 0.00 175.55 175.98 1b40 s ASN 421 N -1.64 6.72 -0.20 -0.18 3.84 -1.26 -4.66 114.94 117.56 1b40 s ASN 421 Ca -0.09 -2.12 -0.28 0.00 0.21 0.00 0.00 52.86 50.58 1b40 s ASN 421 Cb -0.02 -2.50 0.12 0.00 -0.55 0.00 0.00 41.25 38.30 1b40 s ASN 421 CO 0.02 -1.18 1.00 -0.70 -2.79 0.00 0.00 177.10 173.45 1b40 s GLU 422 N 3.61 0.58 0.54 0.43 -6.30 -1.26 -4.45 118.70 111.85 1b40 s GLU 422 Ca 0.44 0.33 0.23 0.00 -2.50 0.00 0.00 54.97 53.47 1b40 s GLU 422 Cb -0.01 0.28 1.40 0.00 0.00 0.00 0.00 34.13 35.80 1b40 s GLU 422 CO -0.04 -0.14 2.06 -1.35 0.02 0.00 0.00 175.26 175.81 1b40 h PRO 423 N 3.23 0.00 0.00 4.30 0.11 -1.87 -2.51 132.00 135.25 1b40 h PRO 423 Ca -0.23 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 1b40 h PRO 423 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1b40 h PRO 423 CO 0.23 0.00 -0.17 1.79 -0.21 0.00 0.00 178.00 179.65 1b40 h THR 424 N 0.00 0.51 -0.81 -1.15 1.35 -1.95 -0.42 112.91 110.44 1b40 h THR 424 Ca 0.15 -0.84 0.16 0.00 -0.55 0.00 0.00 66.41 65.34 1b40 h THR 424 Cb 0.63 1.57 -0.06 0.00 -1.73 0.00 0.00 68.15 68.57 1b40 h THR 424 CO -0.00 0.16 0.54 -1.28 -0.25 0.00 0.00 175.52 174.69 1b40 h SER 425 N 0.00 0.43 0.00 5.36 0.87 -1.71 0.14 113.55 118.63 1b40 h SER 425 Ca -0.00 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1b40 h SER 425 Cb 0.56 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1b40 h SER 425 CO 0.02 0.21 -0.44 -0.26 -0.53 0.00 0.00 176.83 175.83 1b40 h PHE 426 N 0.45 0.00 -0.79 2.24 -1.00 -1.40 -3.42 116.94 113.02 1b40 h PHE 426 Ca 0.41 0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.28 1b40 h PHE 426 Cb 0.92 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.42 1b40 h PHE 426 CO -0.00 0.20 0.52 -0.07 -1.61 0.00 0.00 178.31 177.35 1b40 h LEU 427 N -1.00 0.65 -2.34 1.54 3.38 -0.96 -2.48 115.31 114.10 1b40 h LEU 427 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1b40 h LEU 427 Cb 0.49 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1b40 h LEU 427 CO -0.02 0.38 -0.03 0.78 0.09 0.00 0.00 178.44 179.64 1b40 h ASN 428 N 0.72 0.00 1.07 -0.43 2.35 -0.97 -1.97 115.58 116.34 1b40 h ASN 428 Ca 0.37 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 1b40 h ASN 428 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1b40 h ASN 428 CO -0.14 0.03 -0.03 0.71 -1.65 0.00 0.00 177.43 176.36 1b40 h THR 429 N 0.00 0.07 -0.06 2.81 1.35 -1.64 -2.39 112.91 113.05 1b40 h THR 429 Ca -0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1b40 h THR 429 Cb 0.09 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1b40 h THR 429 CO 0.00 0.03 0.00 0.23 -0.25 0.00 0.00 175.52 175.53 1b40 n MET 430 N -3.13 1.97 -1.94 4.72 2.81 -0.74 -3.23 117.12 117.58 1b40 n MET 430 Ca 0.01 -1.42 -0.39 0.00 -1.81 0.00 0.00 57.70 54.09 1b40 n MET 430 Cb 0.33 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.39 1b40 n MET 430 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1b40 s LEU 431 N -1.93 4.06 0.29 4.03 1.43 -0.90 -4.77 118.68 120.88 1b40 s LEU 431 Ca 0.34 2.70 -0.06 0.00 -1.03 0.00 0.00 54.13 56.08 1b40 s LEU 431 Cb 0.20 -4.06 0.53 0.00 0.03 0.00 0.00 46.19 42.89 1b40 s LEU 431 CO 0.31 -1.15 1.55 -1.20 0.23 0.00 0.00 176.35 176.10 1b40 n SER 432 N -0.37 -0.30 -2.10 2.29 7.64 -1.26 -0.65 113.62 118.87 1b40 n SER 432 Ca 0.06 1.71 -0.20 0.00 1.01 0.00 0.00 58.87 61.45 1b40 n SER 432 Cb 0.44 -0.54 0.20 0.00 -1.01 0.00 0.00 64.21 63.30 1b40 n SER 432 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1b40 n ASP 433 N -5.59 3.77 -4.74 6.43 5.75 -1.26 -4.87 116.55 116.05 1b40 n ASP 433 Ca 0.18 -3.58 -0.41 0.00 -0.01 0.00 0.00 54.79 50.97 1b40 n ASP 433 Cb 0.56 -0.81 -0.04 0.00 -1.03 0.00 0.00 41.12 39.80 1b40 n ASP 433 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1b40 s SER 434 N -1.38 7.37 0.42 -1.12 0.15 0.17 -4.90 113.70 114.41 1b40 s SER 434 Ca 0.56 1.98 0.30 0.00 0.70 0.00 0.00 55.95 59.49 1b40 s SER 434 Cb 0.47 -2.60 1.39 0.00 -1.71 0.00 0.00 66.02 63.57 1b40 s SER 434 CO 0.10 -0.14 1.89 0.77 1.20 0.00 0.00 173.24 177.06 1b40 h SER 435 N 5.18 0.00 0.20 5.45 4.64 -1.91 -1.76 113.55 125.36 1b40 h SER 435 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1b40 h SER 435 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1b40 h SER 435 CO 0.72 0.00 -0.12 0.59 -0.87 0.00 0.00 176.83 177.14 1b40 n ASN 436 N -2.62 0.86 -4.20 4.97 5.03 -1.26 -4.77 115.26 113.28 1b40 n ASN 436 Ca -0.00 -0.93 -0.42 0.00 0.87 0.00 0.00 54.58 54.10 1b40 n ASN 436 Cb 0.17 0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 38.95 1b40 n ASN 436 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1b40 n ASN 437 N -0.59 4.27 -0.06 6.41 2.85 -0.66 -4.70 115.26 122.78 1b40 n ASN 437 Ca 0.15 -2.86 0.15 0.00 -0.11 0.00 0.00 54.58 51.91 1b40 n ASN 437 Cb 0.31 -1.68 0.77 0.00 1.24 0.00 0.00 39.78 40.41 1b40 n ASN 437 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1b40 n THR 438 N 5.96 0.00 0.30 -0.44 -2.24 -1.26 -2.24 114.28 114.37 1b40 n THR 438 Ca 0.50 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 1b40 n THR 438 Cb 0.43 -0.33 0.22 0.00 -2.10 0.00 0.00 70.33 68.56 1b40 n THR 438 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b40 h ALA 439 N 3.72 1.00 -5.69 6.98 0.00 -1.84 -3.46 119.26 119.97 1b40 h ALA 439 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 1b40 h ALA 439 Cb 0.23 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.07 1b40 h ALA 439 CO 0.00 0.00 -0.68 0.72 0.00 0.00 0.00 179.25 179.29 1b40 n HIS 440 N -2.93 -2.46 -3.36 0.00 8.25 -0.95 -0.65 115.22 113.12 1b40 n HIS 440 Ca 0.04 0.85 -0.38 0.00 -0.26 0.00 0.00 57.72 57.97 1b40 n HIS 440 Cb 0.51 -4.47 -0.07 0.00 1.12 0.00 0.00 29.99 27.08 1b40 n HIS 440 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1b40 s TYR 441 N -3.26 3.42 -0.25 4.41 5.04 -1.26 -3.83 117.35 121.62 1b40 s TYR 441 Ca 0.55 0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 55.89 1b40 s TYR 441 Cb -0.26 -2.54 0.07 0.00 0.35 0.00 0.00 41.96 39.59 1b40 s TYR 441 CO 0.67 0.05 0.02 0.15 -1.34 0.00 0.00 175.55 175.11 1b40 s LYS 442 N 1.08 1.06 -0.21 4.97 1.02 -1.26 -4.17 119.74 122.24 1b40 s LYS 442 Ca 0.22 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 1b40 s LYS 442 Cb -0.15 -2.31 0.06 0.00 -0.52 0.00 0.00 37.83 34.91 1b40 s LYS 442 CO 0.08 -0.75 -0.02 0.45 -0.92 0.00 0.00 175.35 174.20 1b40 s SER 443 N 1.56 3.32 0.29 2.83 0.15 -1.26 -5.01 113.70 115.58 1b40 s SER 443 Ca 0.01 -0.95 0.01 0.00 0.70 0.00 0.00 55.95 55.72 1b40 s SER 443 Cb -0.18 -0.91 0.54 0.00 -1.71 0.00 0.00 66.02 63.76 1b40 s SER 443 CO -0.12 -0.25 1.88 -0.65 1.20 0.00 0.00 173.24 175.29 1b40 h PRO 444 N 8.09 0.99 -0.52 5.44 0.11 -1.98 0.25 132.00 144.38 1b40 h PRO 444 Ca -0.18 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.77 1b40 h PRO 444 Cb 1.10 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1b40 h PRO 444 CO 0.38 0.65 -0.06 0.00 -0.21 0.00 0.00 178.00 178.76 1b40 h ALA 445 N 1.52 0.91 -0.18 -0.75 0.00 -1.99 -1.28 119.26 117.48 1b40 h ALA 445 Ca 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1b40 h ALA 445 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1b40 h ALA 445 CO -0.20 0.64 0.06 0.35 0.00 0.00 0.00 179.25 180.10 1b40 h PHE 446 N 0.84 0.29 -0.74 0.00 3.57 -1.21 -2.32 116.94 117.38 1b40 h PHE 446 Ca 0.14 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1b40 h PHE 446 Cb 0.58 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 1b40 h PHE 446 CO 0.04 0.37 0.42 -0.44 -2.23 0.00 0.00 178.31 176.47 1b40 h ASP 447 N 0.12 0.63 -0.32 0.41 3.32 -0.36 -2.95 116.42 117.27 1b40 h ASP 447 Ca 0.06 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1b40 h ASP 447 Cb 0.22 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1b40 h ASP 447 CO -0.00 0.39 -0.02 0.50 -1.72 0.00 0.00 179.24 178.39 1b40 h LYS 448 N 0.76 0.58 -0.29 3.56 1.63 -1.16 0.29 116.57 121.94 1b40 h LYS 448 Ca 0.33 -0.20 0.07 0.00 -0.85 0.00 0.00 60.65 60.00 1b40 h LYS 448 Cb 0.22 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.74 1b40 h LYS 448 CO -0.20 0.73 -0.15 -0.07 -3.45 0.00 0.00 179.45 176.32 1b40 h LEU 449 N 0.38 -0.49 -0.72 5.20 3.38 -1.32 0.66 115.31 122.40 1b40 h LEU 449 Ca 0.09 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1b40 h LEU 449 Cb 0.48 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1b40 h LEU 449 CO 0.02 -0.18 -0.33 0.40 0.09 0.00 0.00 178.44 178.43 1b40 h ILE 450 N -0.11 1.29 -0.48 1.22 1.08 -1.46 -2.84 117.51 116.21 1b40 h ILE 450 Ca 0.15 -1.46 -0.05 0.00 -0.39 0.00 0.00 64.86 63.11 1b40 h ILE 450 Cb 0.34 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1b40 h ILE 450 CO -0.36 0.47 0.10 0.00 -0.69 0.00 0.00 178.15 177.67 1b40 h ALA 451 N 1.12 1.27 0.00 1.87 0.00 -0.39 -2.31 119.26 120.82 1b40 h ALA 451 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b40 h ALA 451 Cb 0.83 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1b40 h ALA 451 CO 0.07 0.50 0.00 -0.44 0.00 0.00 0.00 179.25 179.38 1b40 h ASP 452 N 0.71 0.00 -0.51 0.00 3.32 -0.64 -3.21 116.42 116.09 1b40 h ASP 452 Ca 0.16 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1b40 h ASP 452 Cb 0.29 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1b40 h ASP 452 CO 0.00 0.00 0.34 0.71 -1.72 0.00 0.00 179.24 178.57 1b40 h THR 453 N 0.00 1.07 -0.29 0.35 1.35 -1.31 -1.69 112.91 112.38 1b40 h THR 453 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1b40 h THR 453 Cb 0.43 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1b40 h THR 453 CO 0.00 0.11 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 1b40 n LEU 454 N -4.47 3.28 -0.70 3.87 4.77 -1.21 -3.96 117.00 118.58 1b40 n LEU 454 Ca 0.06 -1.34 0.13 0.00 -0.03 0.00 0.00 56.01 54.83 1b40 n LEU 454 Cb 0.13 -0.18 0.34 0.00 -2.33 0.00 0.00 43.42 41.37 1b40 n LEU 454 CO 0.35 0.67 0.76 0.29 -1.33 0.00 0.00 177.39 178.13 1b40 n LYS 455 N 1.41 1.96 -4.36 3.23 4.01 -0.64 -4.75 118.16 119.03 1b40 n LYS 455 Ca 0.18 -1.40 -0.24 0.00 -0.51 0.00 0.00 58.31 56.34 1b40 n LYS 455 Cb 0.60 -1.47 -0.08 0.00 -0.51 0.00 0.00 35.03 33.56 1b40 n LYS 455 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1b40 s VAL 456 N -1.98 3.07 -0.31 -0.18 -7.23 -1.20 -5.05 120.40 107.52 1b40 s VAL 456 Ca 0.34 -2.05 0.10 0.00 -1.81 0.00 0.00 61.98 58.56 1b40 s VAL 456 Cb 0.21 -2.61 0.46 0.00 0.56 0.00 0.00 36.38 34.99 1b40 s VAL 456 CO 0.32 -0.35 1.15 0.00 -0.31 0.00 0.00 175.10 175.91 1b40 n ALA 457 N -0.67 4.49 -3.51 1.32 0.00 -1.26 -4.99 120.51 115.88 1b40 n ALA 457 Ca -0.07 -3.65 -0.23 0.00 0.00 0.00 0.00 53.44 49.49 1b40 n ALA 457 Cb 0.59 -0.49 -0.16 0.00 0.00 0.00 0.00 19.45 19.38 1b40 n ALA 457 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1b40 s ASP 458 N -3.60 1.55 0.13 0.00 2.15 -1.26 -5.04 116.67 110.60 1b40 s ASP 458 Ca 0.45 -0.25 -0.14 0.00 0.43 0.00 0.00 52.55 53.04 1b40 s ASP 458 Cb 0.39 -0.72 -0.00 0.00 -0.30 0.00 0.00 42.92 42.29 1b40 s ASP 458 CO -0.01 0.01 1.59 0.44 -0.17 0.00 0.00 175.17 177.03 1b40 h ASP 459 N 7.04 0.74 -0.15 -0.34 3.32 -1.98 0.12 116.42 125.18 1b40 h ASP 459 Ca -0.33 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.42 1b40 h ASP 459 Cb 1.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1b40 h ASP 459 CO 0.47 0.85 0.05 0.74 -1.72 0.00 0.00 179.24 179.64 1b40 h THR 460 N 0.61 1.17 -0.54 0.35 2.02 -1.98 0.11 112.91 114.64 1b40 h THR 460 Ca 0.13 -0.51 0.09 0.00 0.77 0.00 0.00 66.41 66.88 1b40 h THR 460 Cb 0.46 1.23 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 1b40 h THR 460 CO 0.02 0.16 0.17 -0.61 0.37 0.00 0.00 175.52 175.62 1b40 h GLN 461 N 0.07 0.32 -0.50 6.66 4.15 -1.91 0.19 115.11 124.08 1b40 h GLN 461 Ca 0.05 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 1b40 h GLN 461 Cb 0.20 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1b40 h GLN 461 CO -0.00 0.21 -0.18 -0.09 -1.93 0.00 0.00 178.83 176.84 1b40 h ARG 462 N 0.33 0.99 -0.32 1.69 2.43 -0.60 -2.09 114.38 116.81 1b40 h ARG 462 Ca 0.27 -0.40 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1b40 h ARG 462 Cb 0.34 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1b40 h ARG 462 CO -0.30 1.07 -0.29 0.77 -1.51 0.00 0.00 179.97 179.71 1b40 h SER 463 N 0.86 0.68 -0.68 -3.80 0.02 0.05 -1.51 113.55 109.18 1b40 h SER 463 Ca 0.12 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 1b40 h SER 463 Cb 0.75 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1b40 h SER 463 CO 0.06 0.93 0.19 -0.33 -1.14 0.00 0.00 176.83 176.54 1b40 h GLU 464 N 0.57 1.07 -0.03 3.45 5.08 -0.57 -0.55 114.58 123.59 1b40 h GLU 464 Ca 0.07 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1b40 h GLU 464 Cb 0.78 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1b40 h GLU 464 CO 0.06 0.94 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.58 1b40 h LEU 465 N 1.00 0.07 -0.53 1.33 3.38 -1.09 0.26 115.31 119.73 1b40 h LEU 465 Ca 0.22 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1b40 h LEU 465 Cb 0.34 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1b40 h LEU 465 CO -0.00 0.43 -0.05 1.88 0.09 0.00 0.00 178.44 180.79 1b40 h TYR 466 N 0.06 1.07 -0.68 1.13 0.05 -0.79 0.27 116.97 118.07 1b40 h TYR 466 Ca 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.58 1b40 h TYR 466 Cb 0.68 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1b40 h TYR 466 CO 0.00 0.99 0.43 0.00 -1.05 0.00 0.00 178.16 178.53 1b40 h ALA 467 N 0.93 0.86 -0.02 3.88 0.00 -0.75 0.20 119.26 124.36 1b40 h ALA 467 Ca 0.14 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1b40 h ALA 467 Cb 0.60 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1b40 h ALA 467 CO 0.04 0.31 -0.54 0.87 0.00 0.00 0.00 179.25 179.92 1b40 h LYS 468 N 0.92 0.04 -0.26 0.00 1.57 -0.55 -1.70 116.57 116.58 1b40 h LYS 468 Ca 0.25 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 1b40 h LYS 468 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1b40 h LYS 468 CO -0.05 0.57 -0.51 0.00 -0.57 0.00 0.00 179.45 178.90 1b40 h ALA 469 N 1.42 0.61 -0.73 3.86 0.00 0.71 -1.51 119.26 123.62 1b40 h ALA 469 Ca -0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1b40 h ALA 469 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1b40 h ALA 469 CO 0.07 0.68 0.30 0.93 0.00 0.00 0.00 179.25 181.23 1b40 h GLU 470 N 0.58 1.09 -0.40 0.00 4.39 -0.44 -1.81 114.58 117.99 1b40 h GLU 470 Ca 0.02 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1b40 h GLU 470 Cb 1.08 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1b40 h GLU 470 CO 0.11 0.89 0.07 1.96 -1.16 0.00 0.00 179.01 180.88 1b40 h GLN 471 N 1.05 0.60 -0.18 2.33 4.20 -1.14 0.14 115.11 122.10 1b40 h GLN 471 Ca 0.25 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1b40 h GLN 471 Cb 0.20 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1b40 h GLN 471 CO -0.02 0.57 0.04 0.37 -0.67 0.00 0.00 178.83 179.12 1b40 h GLN 472 N 0.59 0.30 -0.65 1.46 5.75 -0.91 0.22 115.11 121.87 1b40 h GLN 472 Ca 0.13 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.61 1b40 h GLN 472 Cb 0.26 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 1b40 h GLN 472 CO 0.00 0.45 0.37 1.25 -2.65 0.00 0.00 178.83 178.25 1b40 h LEU 473 N 0.10 0.56 -0.77 -2.39 5.85 -0.99 0.71 115.31 118.38 1b40 h LEU 473 Ca 0.06 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 1b40 h LEU 473 Cb 0.29 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1b40 h LEU 473 CO 0.00 0.37 -0.54 -0.78 -0.34 0.00 0.00 178.44 177.15 1b40 h ASP 474 N 0.69 0.22 -0.68 1.25 3.58 -0.48 -1.56 116.42 119.44 1b40 h ASP 474 Ca 0.28 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 1b40 h ASP 474 Cb 0.15 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1b40 h ASP 474 CO -0.16 0.72 0.14 0.50 -2.88 0.00 0.00 179.24 177.55 1b40 h LYS 475 N 0.15 1.11 -0.00 0.28 3.64 0.50 -2.31 116.57 119.94 1b40 h LYS 475 Ca 0.00 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1b40 h LYS 475 Cb 1.01 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1b40 h LYS 475 CO 0.08 1.00 -0.19 -0.25 -2.27 0.00 0.00 179.45 177.82 1b40 n ASP 476 N -4.24 0.57 -3.85 4.20 8.00 0.14 -4.95 116.55 116.43 1b40 n ASP 476 Ca 0.05 -0.51 -0.33 0.00 0.71 0.00 0.00 54.79 54.70 1b40 n ASP 476 Cb 0.27 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.38 1b40 n ASP 476 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1b40 n SER 477 N -1.00 -3.67 -0.18 -2.24 7.64 -0.61 -4.81 113.62 108.75 1b40 n SER 477 Ca 0.12 -1.08 -0.10 0.00 1.01 0.00 0.00 58.87 58.82 1b40 n SER 477 Cb 0.31 -2.90 0.01 0.00 -1.01 0.00 0.00 64.21 60.61 1b40 n SER 477 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b40 h ALA 478 N 0.99 0.69 -4.30 -0.43 0.00 -1.81 -3.43 119.26 110.97 1b40 h ALA 478 Ca -0.67 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 53.62 1b40 h ALA 478 Cb 1.37 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1b40 h ALA 478 CO 0.53 0.54 -0.26 0.44 0.00 0.00 0.00 179.25 180.51 1b40 n ILE 479 N -4.26 0.00 -3.85 0.00 -5.35 -1.26 -3.78 119.36 100.85 1b40 n ILE 479 Ca 0.01 -1.31 -0.30 0.00 -0.27 0.00 0.00 62.75 60.88 1b40 n ILE 479 Cb 0.35 0.46 -0.14 0.00 -1.74 0.00 0.00 39.64 38.56 1b40 n ILE 479 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1b40 s VAL 480 N -2.36 1.71 0.26 7.28 1.01 -0.60 -4.86 120.40 122.83 1b40 s VAL 480 Ca 0.11 -2.25 -0.30 0.00 0.00 0.00 0.00 61.98 59.53 1b40 s VAL 480 Cb 0.01 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 34.03 1b40 s VAL 480 CO 0.08 -0.72 1.56 -2.84 0.00 0.00 0.00 175.10 173.18 1b40 s PRO 481 N 0.82 4.17 -0.02 2.72 0.02 -1.26 0.11 135.00 141.55 1b40 s PRO 481 Ca 0.13 2.49 -0.04 0.00 0.02 0.00 0.00 61.00 63.60 1b40 s PRO 481 Cb -0.21 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 1b40 s PRO 481 CO -0.10 -0.59 -0.07 0.28 -0.33 0.00 0.00 177.00 176.19 1b40 n VAL 482 N 2.56 0.53 -3.71 3.83 0.31 0.15 -4.75 118.33 117.25 1b40 n VAL 482 Ca 0.09 0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 64.58 1b40 n VAL 482 Cb 0.38 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.71 1b40 n VAL 482 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1b40 s TYR 483 N -1.56 -0.12 -0.10 3.52 -0.85 -0.94 -1.36 117.35 115.93 1b40 s TYR 483 Ca -0.06 -0.15 -0.20 0.00 -0.52 0.00 0.00 57.07 56.15 1b40 s TYR 483 Cb 0.01 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.47 1b40 s TYR 483 CO 0.09 -0.61 0.55 0.71 -1.52 0.00 0.00 175.55 174.76 1b40 s TYR 484 N -3.40 3.54 0.78 -3.49 2.02 0.31 -1.18 117.35 115.93 1b40 s TYR 484 Ca 0.01 1.01 -0.11 0.00 -0.37 0.00 0.00 57.07 57.61 1b40 s TYR 484 Cb 0.02 -2.63 0.06 0.00 -0.40 0.00 0.00 41.96 39.00 1b40 s TYR 484 CO -0.09 0.15 1.09 0.71 -1.57 0.00 0.00 175.55 175.84 1b40 s TYR 485 N 0.65 2.85 0.22 2.71 1.51 -0.45 -2.54 117.35 122.30 1b40 s TYR 485 Ca 0.30 1.26 0.10 0.00 -1.01 0.00 0.00 57.07 57.71 1b40 s TYR 485 Cb -0.16 -3.05 -0.04 0.00 -0.11 0.00 0.00 41.96 38.59 1b40 s TYR 485 CO 0.13 -1.67 -0.08 0.14 -1.11 0.00 0.00 175.55 172.95 1b40 s VAL 486 N -3.09 3.15 -0.65 0.71 -7.23 -1.26 -3.69 120.40 108.34 1b40 s VAL 486 Ca 0.60 -1.85 -0.20 0.00 -1.81 0.00 0.00 61.98 58.72 1b40 s VAL 486 Cb -0.15 -2.62 0.10 0.00 0.56 0.00 0.00 36.38 34.28 1b40 s VAL 486 CO 0.55 -0.24 0.82 0.21 -0.31 0.00 0.00 175.10 176.13 1b40 s ASN 487 N -3.19 6.23 -0.14 4.85 3.84 0.43 -4.85 114.94 122.11 1b40 s ASN 487 Ca 0.28 -1.38 0.02 0.00 0.21 0.00 0.00 52.86 51.99 1b40 s ASN 487 Cb -0.07 -2.34 0.01 0.00 -0.55 0.00 0.00 41.25 38.29 1b40 s ASN 487 CO 0.16 -1.20 -0.20 0.00 -2.79 0.00 0.00 177.10 173.07 1b40 s ALA 488 N 3.05 2.31 0.24 1.71 0.00 -1.25 -1.08 121.76 126.74 1b40 s ALA 488 Ca 0.17 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 1b40 s ALA 488 Cb -0.20 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 21.90 1b40 s ALA 488 CO 0.06 -0.04 0.66 -0.98 0.00 0.00 0.00 175.76 175.45 1b40 s ARG 489 N 0.83 1.62 -0.13 0.00 1.70 -0.81 -3.67 118.95 118.49 1b40 s ARG 489 Ca -0.06 -0.88 -0.05 0.00 -0.47 0.00 0.00 55.73 54.27 1b40 s ARG 489 Cb -0.15 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1b40 s ARG 489 CO -0.02 -0.73 0.05 -0.51 -1.08 0.00 0.00 175.30 173.02 1b40 s LEU 490 N -2.88 3.83 -0.07 -1.89 1.43 -1.26 -0.20 118.68 117.64 1b40 s LEU 490 Ca 0.09 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1b40 s LEU 490 Cb -0.04 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1b40 s LEU 490 CO 0.02 0.30 -0.05 -0.69 0.23 0.00 0.00 176.35 176.16 1b40 s VAL 491 N -0.39 0.65 0.55 -1.59 1.01 -0.73 -1.08 120.40 118.83 1b40 s VAL 491 Ca 0.09 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1b40 s VAL 491 Cb -0.12 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1b40 s VAL 491 CO 0.02 0.28 1.29 0.29 0.00 0.00 0.00 175.10 176.98 1b40 n LYS 492 N 4.47 1.55 0.13 2.72 4.76 -0.54 -4.60 118.16 126.64 1b40 n LYS 492 Ca -0.18 0.57 0.18 0.00 -2.87 0.00 0.00 58.31 56.02 1b40 n LYS 492 Cb 0.51 -2.50 0.76 0.00 -1.84 0.00 0.00 35.03 31.96 1b40 n LYS 492 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1b40 h PRO 493 N 1.27 0.00 -0.12 1.97 0.11 -1.93 -1.21 132.00 132.09 1b40 h PRO 493 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b40 h PRO 493 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1b40 h PRO 493 CO 0.56 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.68 1b40 n TRP 494 N -3.99 0.14 -2.93 0.65 2.14 -1.26 -4.80 117.44 107.40 1b40 n TRP 494 Ca 0.05 -0.07 -0.43 0.00 2.07 0.00 0.00 57.50 59.11 1b40 n TRP 494 Cb 0.45 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.90 1b40 n TRP 494 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1b40 s VAL 495 N -1.86 4.55 0.30 -1.67 1.01 -0.46 0.35 120.40 122.63 1b40 s VAL 495 Ca 0.34 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1b40 s VAL 495 Cb 0.18 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1b40 s VAL 495 CO 0.28 -0.94 0.58 -0.83 0.00 0.00 0.00 175.10 174.19 1b40 s GLY 496 N 2.59 1.84 0.00 4.51 0.00 0.22 -4.52 107.32 111.95 1b40 s GLY 496 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1b40 s GLY 496 CO 0.19 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.47 1b40 n GLY 497 N -1.02 0.36 3.38 0.20 0.00 -1.26 -1.11 105.19 105.73 1b40 n GLY 497 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1b40 n GLY 497 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b40 s TYR 498 N -2.06 3.15 -0.02 1.61 5.04 -1.26 -4.77 117.35 119.04 1b40 s TYR 498 Ca 0.00 -1.21 0.17 0.00 -2.44 0.00 0.00 57.07 53.59 1b40 s TYR 498 Cb 0.00 -4.02 0.33 0.00 0.35 0.00 0.00 41.96 38.62 1b40 s TYR 498 CO 0.00 -1.27 1.56 1.79 -1.34 0.00 0.00 175.55 176.29 1b40 h THR 499 N 5.72 0.87 0.00 4.34 1.35 -1.97 -3.47 112.91 119.76 1b40 h THR 499 Ca -0.16 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 1b40 h THR 499 Cb 1.07 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1b40 h THR 499 CO 1.04 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 177.37 1b40 n GLY 500 N 0.82 0.43 0.02 5.82 0.00 -1.26 -4.88 105.19 106.13 1b40 n GLY 500 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1b40 n GLY 500 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b40 n LYS 501 N -1.68 0.10 -2.84 1.61 4.76 -1.26 -4.65 118.16 114.20 1b40 n LYS 501 Ca 0.00 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 1b40 n LYS 501 Cb 0.12 -1.55 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 1b40 n LYS 501 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1b40 s ASP 502 N -3.39 6.81 0.00 4.39 2.15 -1.21 -4.75 116.67 120.66 1b40 s ASP 502 Ca 0.09 0.92 0.23 0.00 0.43 0.00 0.00 52.55 54.22 1b40 s ASP 502 Cb 0.16 -2.46 1.23 0.00 -0.30 0.00 0.00 42.92 41.55 1b40 s ASP 502 CO 0.73 -0.65 1.76 -0.81 -0.17 0.00 0.00 175.17 176.03 1b40 n PRO 503 N 6.30 0.44 0.00 4.34 -0.04 -1.26 -0.85 135.00 143.92 1b40 n PRO 503 Ca 0.07 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1b40 n PRO 503 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1b40 n PRO 503 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b40 n LEU 504 N -1.21 1.42 -3.68 1.53 4.77 -1.26 -1.49 117.00 117.07 1b40 n LEU 504 Ca 0.13 -0.61 -0.26 0.00 -0.03 0.00 0.00 56.01 55.24 1b40 n LEU 504 Cb 0.16 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1b40 n LEU 504 CO 0.16 0.30 0.21 -0.67 -1.33 0.00 0.00 177.39 176.07 1b40 n ASP 505 N -0.87 -5.91 -3.72 -1.43 2.03 -0.03 -4.88 116.55 101.74 1b40 n ASP 505 Ca 0.06 -0.60 -0.42 0.00 0.52 0.00 0.00 54.79 54.35 1b40 n ASP 505 Cb 0.38 -4.74 -0.00 0.00 -0.72 0.00 0.00 41.12 36.04 1b40 n ASP 505 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1b40 n ASN 506 N -2.97 5.23 -4.75 1.67 3.02 -1.26 -4.98 115.26 111.22 1b40 n ASN 506 Ca 0.01 -2.96 -0.40 0.00 -0.03 0.00 0.00 54.58 51.20 1b40 n ASN 506 Cb 0.55 -1.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.13 1b40 n ASN 506 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1b40 s ILE 507 N 1.49 3.81 -0.13 2.41 1.09 -1.26 -4.84 121.20 123.77 1b40 s ILE 507 Ca 0.47 1.80 0.01 0.00 -1.10 0.00 0.00 60.65 61.82 1b40 s ILE 507 Cb 0.13 -4.14 -0.01 0.00 -1.06 0.00 0.00 42.46 37.37 1b40 s ILE 507 CO -0.05 0.42 -0.15 -0.31 -0.10 0.00 0.00 174.94 174.75 1b40 s TYR 508 N -1.07 2.77 0.42 3.97 1.51 -1.26 -4.85 117.35 118.84 1b40 s TYR 508 Ca 0.43 -0.78 0.23 0.00 -1.01 0.00 0.00 57.07 55.95 1b40 s TYR 508 Cb -0.29 -1.83 1.30 0.00 -0.11 0.00 0.00 41.96 41.03 1b40 s TYR 508 CO 0.36 -0.29 2.04 0.28 -1.11 0.00 0.00 175.55 176.83 1b40 h VAL 509 N 5.50 0.74 0.00 0.71 2.07 -1.93 -2.02 116.25 121.32 1b40 h VAL 509 Ca -0.26 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1b40 h VAL 509 Cb 1.21 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1b40 h VAL 509 CO 0.54 0.15 0.00 0.07 0.02 0.00 0.00 177.57 178.35 1b40 h LYS 510 N 0.00 0.00 -0.07 1.57 2.10 -1.95 -1.54 116.57 116.68 1b40 h LYS 510 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b40 h LYS 510 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1b40 h LYS 510 CO 0.02 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.56 1b40 n ASN 511 N -2.64 2.29 -4.96 7.07 3.02 -0.76 -0.38 115.26 118.90 1b40 n ASN 511 Ca -0.02 -1.76 -0.19 0.00 -0.03 0.00 0.00 54.58 52.58 1b40 n ASN 511 Cb 0.06 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 1b40 n ASN 511 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b40 s LEU 512 N -1.92 3.72 -0.14 3.41 1.43 -0.58 -4.54 118.68 120.06 1b40 s LEU 512 Ca 0.33 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1b40 s LEU 512 Cb 0.20 -2.55 0.08 0.00 0.03 0.00 0.00 46.19 43.95 1b40 s LEU 512 CO 0.31 -0.58 0.74 -0.72 0.23 0.00 0.00 176.35 176.33 1b40 s TYR 513 N -2.30 -0.67 -0.23 0.29 1.13 -0.27 -4.03 117.35 111.28 1b40 s TYR 513 Ca 0.49 1.35 -0.19 0.00 -1.41 0.00 0.00 57.07 57.30 1b40 s TYR 513 Cb -0.08 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1b40 s TYR 513 CO 0.31 -0.49 0.57 0.42 -2.51 0.00 0.00 175.55 173.85 1b40 s ILE 514 N -0.60 5.05 0.27 -3.49 -1.09 -1.26 0.70 121.20 120.78 1b40 s ILE 514 Ca -0.06 1.04 -0.26 0.00 -2.23 0.00 0.00 60.65 59.14 1b40 s ILE 514 Cb -0.02 -3.89 -0.09 0.00 -1.58 0.00 0.00 42.46 36.88 1b40 s ILE 514 CO 0.05 0.10 0.90 -0.63 -1.23 0.00 0.00 174.94 174.14 1b40 s ILE 515 N 2.08 4.23 -0.12 2.92 1.01 0.16 -1.43 121.20 130.04 1b40 s ILE 515 Ca 0.25 1.82 -0.34 0.00 0.00 0.00 0.00 60.65 62.38 1b40 s ILE 515 Cb -0.16 -4.09 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 1b40 s ILE 515 CO 0.09 0.29 1.93 1.17 0.00 0.00 0.00 174.94 178.41 1b40 n LYS 516 N 0.94 2.06 0.00 2.79 4.81 -0.45 -4.26 118.16 124.06 1b40 n LYS 516 Ca -0.00 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1b40 n LYS 516 Cb 0.49 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1b40 n LYS 516 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18