#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmw s ASP 2 N 0.00 6.65 -0.32 -1.12 -1.08 -1.26 -4.78 116.67 114.77 1xmw s ASP 2 Ca 0.00 -2.11 0.17 0.00 -0.52 0.00 0.00 52.55 50.09 1xmw s ASP 2 Cb 0.00 -2.39 0.47 0.00 -1.46 0.00 0.00 42.92 39.54 1xmw s ASP 2 CO 0.00 -1.03 1.03 0.00 0.52 0.00 0.00 175.17 175.69 1xmw n ALA 3 N 6.41 3.50 -3.20 3.66 0.00 -1.26 -4.94 120.51 124.68 1xmw n ALA 3 Ca 0.24 -3.22 -0.24 0.00 0.00 0.00 0.00 53.44 50.23 1xmw n ALA 3 Cb 0.49 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 1xmw n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1xmw n GLU 4 N -0.31 0.87 -0.43 0.00 0.28 -1.26 -4.92 120.64 114.89 1xmw n GLU 4 Ca 0.15 -3.34 0.06 0.00 -0.16 0.00 0.00 57.16 53.86 1xmw n GLU 4 Cb 0.80 -1.34 0.23 0.00 1.43 0.00 0.00 31.44 32.57 1xmw n GLU 4 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1xmw n ASN 5 N 1.23 3.34 -1.58 -1.84 6.94 -1.26 -4.15 115.26 117.94 1xmw n ASN 5 Ca 0.22 -2.34 -0.01 0.00 -0.02 0.00 0.00 54.58 52.43 1xmw n ASN 5 Cb 0.54 -0.49 0.24 0.00 -2.36 0.00 0.00 39.78 37.71 1xmw n ASN 5 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1xmw n ILE 6 N 0.58 2.10 -4.15 1.53 -5.35 -1.26 -3.45 119.36 109.36 1xmw n ILE 6 Ca 0.16 -1.08 -0.27 0.00 -0.27 0.00 0.00 62.75 61.30 1xmw n ILE 6 Cb 0.65 -0.43 -0.07 0.00 -1.74 0.00 0.00 39.64 38.06 1xmw n ILE 6 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1xmw s GLU 7 N -2.25 2.58 0.14 6.28 2.12 -1.25 -4.53 118.70 121.79 1xmw s GLU 7 Ca 0.39 -0.98 -0.27 0.00 0.36 0.00 0.00 54.97 54.47 1xmw s GLU 7 Cb 0.30 -2.48 -0.07 0.00 0.26 0.00 0.00 34.13 32.14 1xmw s GLU 7 CO 0.10 0.48 0.82 -0.47 -0.54 0.00 0.00 175.26 175.65 1xmw s TYR 8 N -1.65 3.87 0.18 5.30 6.14 -1.26 -3.91 117.35 126.01 1xmw s TYR 8 Ca 0.28 1.66 0.07 0.00 0.64 0.00 0.00 57.07 59.72 1xmw s TYR 8 Cb -0.10 -2.85 -0.04 0.00 0.42 0.00 0.00 41.96 39.39 1xmw s TYR 8 CO 0.20 0.41 -0.15 0.15 0.64 0.00 0.00 175.55 176.80 1xmw s LYS 9 N -0.74 1.24 -0.02 4.97 1.02 -1.05 -4.95 119.74 120.21 1xmw s LYS 9 Ca 0.39 -1.49 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 1xmw s LYS 9 Cb -0.23 -1.08 0.01 0.00 -0.52 0.00 0.00 37.83 36.01 1xmw s LYS 9 CO 0.27 0.19 0.06 0.08 -0.92 0.00 0.00 175.35 175.03 1xmw s VAL 10 N -2.70 0.00 -0.36 3.17 1.01 -1.26 -0.95 120.40 119.30 1xmw s VAL 10 Ca 0.18 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1xmw s VAL 10 Cb -0.02 -0.10 0.16 0.00 0.00 0.00 0.00 36.38 36.42 1xmw s VAL 10 CO 0.06 -0.00 0.38 -0.55 0.00 0.00 0.00 175.10 174.99 1xmw s SER 11 N 0.03 1.05 -0.01 3.32 0.15 -0.66 -4.99 113.70 112.59 1xmw s SER 11 Ca -0.00 -1.45 -0.30 0.00 0.70 0.00 0.00 55.95 54.91 1xmw s SER 11 Cb -0.00 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 1xmw s SER 11 CO 0.00 -0.27 0.96 -0.63 1.20 0.00 0.00 173.24 174.50 1xmw s ILE 12 N 1.55 4.88 -0.28 6.45 1.09 -1.26 -2.48 121.20 131.16 1xmw s ILE 12 Ca 0.16 2.01 0.01 0.00 -1.10 0.00 0.00 60.65 61.74 1xmw s ILE 12 Cb -0.15 -4.30 0.08 0.00 -1.06 0.00 0.00 42.46 37.03 1xmw s ILE 12 CO -0.07 0.16 0.00 -0.94 -0.10 0.00 0.00 174.94 174.00 1xmw s SER 13 N 1.00 4.14 -0.36 3.58 1.04 -0.52 -4.84 113.70 117.73 1xmw s SER 13 Ca 0.51 -1.53 -0.19 0.00 0.48 0.00 0.00 55.95 55.22 1xmw s SER 13 Cb -0.21 -1.24 0.03 0.00 0.10 0.00 0.00 66.02 64.70 1xmw s SER 13 CO 0.27 -0.31 0.44 0.61 0.98 0.00 0.00 173.24 175.24 1xmw n GLY 14 N 4.59 -1.12 1.97 7.32 0.00 -1.26 -1.96 105.19 114.73 1xmw n GLY 14 Ca -0.06 0.93 -0.10 0.00 0.00 0.00 0.00 46.02 46.79 1xmw n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xmw n THR 15 N 0.12 -0.14 -4.36 2.61 -1.04 -1.26 -4.73 114.28 105.48 1xmw n THR 15 Ca 0.02 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.78 1xmw n THR 15 Cb 0.47 -1.10 -0.09 0.00 -1.82 0.00 0.00 70.33 67.79 1xmw n THR 15 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1xmw s SER 16 N -1.90 4.08 -0.24 8.00 0.15 -0.83 -0.92 113.70 122.04 1xmw s SER 16 Ca 0.00 -0.77 -0.03 0.00 0.70 0.00 0.00 55.95 55.85 1xmw s SER 16 Cb 0.00 -0.59 0.10 0.00 -1.71 0.00 0.00 66.02 63.82 1xmw s SER 16 CO 0.00 0.05 0.19 -0.69 1.20 0.00 0.00 173.24 173.99 1xmw s VAL 17 N -2.16 -0.24 -0.42 4.45 1.01 -0.71 -1.44 120.40 120.88 1xmw s VAL 17 Ca 0.28 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1xmw s VAL 17 Cb -0.07 -0.81 0.06 0.00 0.00 0.00 0.00 36.38 35.56 1xmw s VAL 17 CO 0.16 -0.42 0.29 -0.70 0.00 0.00 0.00 175.10 174.44 1xmw s GLU 18 N 2.24 2.79 -0.18 2.72 2.12 -1.04 0.13 118.70 127.48 1xmw s GLU 18 Ca 0.07 -1.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.01 1xmw s GLU 18 Cb -0.15 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 1xmw s GLU 18 CO -0.23 -0.91 0.07 -0.51 -0.54 0.00 0.00 175.26 173.14 1xmw s LEU 19 N 1.54 3.86 -0.39 2.70 1.43 -0.48 -1.66 118.68 125.67 1xmw s LEU 19 Ca 0.03 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 1xmw s LEU 19 Cb -0.22 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1xmw s LEU 19 CO 0.05 0.18 0.80 -0.89 0.23 0.00 0.00 176.35 176.71 1xmw s THR 20 N 0.35 4.69 0.32 5.49 2.01 -0.13 0.52 115.64 128.89 1xmw s THR 20 Ca 0.04 0.75 -0.26 0.00 0.31 0.00 0.00 61.69 62.53 1xmw s THR 20 Cb -0.12 -4.26 -0.14 0.00 0.01 0.00 0.00 72.50 67.99 1xmw s THR 20 CO -0.00 -0.54 0.77 0.00 -0.69 0.00 0.00 174.62 174.16 1xmw n PRO 22 N 0.70 0.52 -2.30 0.00 -0.04 -1.25 -4.74 135.00 127.90 1xmw n PRO 22 Ca 0.12 -0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1xmw n PRO 22 Cb 0.33 -1.26 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1xmw n PRO 22 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1xmw n LEU 23 N 1.77 0.00 -4.77 1.53 -0.00 -1.22 -3.94 117.00 110.37 1xmw n LEU 23 Ca 0.01 -0.74 -0.31 0.00 -0.00 0.00 0.00 56.01 54.97 1xmw n LEU 23 Cb 0.26 1.27 0.09 0.00 -0.00 0.00 0.00 43.42 45.03 1xmw n LEU 23 CO 0.01 -0.25 0.70 -1.81 -0.00 0.00 0.00 177.39 176.04 1xmw s ASP 24 N -1.92 4.58 0.09 1.45 1.11 -1.26 -4.90 116.67 115.81 1xmw s ASP 24 Ca 0.08 1.81 -0.31 0.00 0.18 0.00 0.00 52.55 54.31 1xmw s ASP 24 Cb -0.01 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.39 1xmw s ASP 24 CO 0.03 -1.99 1.32 -0.94 1.18 0.00 0.00 175.17 174.77 1xmw s SER 25 N -3.42 6.92 -0.16 0.27 1.04 -1.26 -4.84 113.70 112.25 1xmw s SER 25 Ca 0.61 2.20 -0.00 0.00 0.48 0.00 0.00 55.95 59.24 1xmw s SER 25 Cb -0.17 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.36 1xmw s SER 25 CO 0.56 -0.59 -0.14 -0.62 0.98 0.00 0.00 173.24 173.43 1xmw s ASP 26 N 1.12 3.76 0.63 7.02 2.15 -1.26 -4.94 116.67 125.16 1xmw s ASP 26 Ca 0.62 -0.44 0.25 0.00 0.43 0.00 0.00 52.55 53.42 1xmw s ASP 26 Cb -0.34 -1.58 1.29 0.00 -0.30 0.00 0.00 42.92 41.99 1xmw s ASP 26 CO 0.30 0.09 1.73 1.05 -0.17 0.00 0.00 175.17 178.17 1xmw h GLU 27 N 7.26 0.00 0.00 4.34 4.11 -1.95 1.08 114.58 129.42 1xmw h GLU 27 Ca -0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.09 1xmw h GLU 27 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1xmw h GLU 27 CO 0.57 0.00 -0.51 0.09 0.07 0.00 0.00 179.01 179.23 1xmw n ASN 28 N -3.17 1.67 -4.62 3.06 5.03 -1.26 -4.71 115.26 111.26 1xmw n ASN 28 Ca 0.04 -3.55 -0.43 0.00 0.87 0.00 0.00 54.58 51.51 1xmw n ASN 28 Cb 0.68 -0.48 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 1xmw n ASN 28 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1xmw n LEU 29 N -0.94 3.62 -4.79 3.41 7.94 0.37 -4.65 117.00 121.96 1xmw n LEU 29 Ca 0.17 0.49 -0.39 0.00 -1.11 0.00 0.00 56.01 55.18 1xmw n LEU 29 Cb 0.74 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 43.09 1xmw n LEU 29 CO -0.03 -0.32 0.26 -0.54 -1.11 0.00 0.00 177.39 175.64 1xmw s LYS 30 N 5.57 4.23 0.48 1.96 1.02 0.16 -4.44 119.74 128.72 1xmw s LYS 30 Ca 0.96 0.69 0.07 0.00 0.02 0.00 0.00 55.97 57.71 1xmw s LYS 30 Cb -0.39 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.64 1xmw s LYS 30 CO 0.38 0.51 0.37 -1.58 -0.92 0.00 0.00 175.35 174.12 1xmw s TRP 31 N -0.66 2.14 -0.01 3.18 0.52 -1.26 0.70 118.94 123.54 1xmw s TRP 31 Ca 0.29 -0.68 -0.04 0.00 0.02 0.00 0.00 56.10 55.69 1xmw s TRP 31 Cb -0.19 -2.02 0.00 0.00 -1.15 0.00 0.00 33.47 30.12 1xmw s TRP 31 CO 0.17 -0.27 0.09 -2.00 0.02 0.00 0.00 176.95 174.96 1xmw s GLU 32 N -4.18 0.28 -0.26 4.98 2.12 0.40 -1.98 118.70 120.05 1xmw s GLU 32 Ca 0.41 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 1xmw s GLU 32 Cb -0.02 0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.57 1xmw s GLU 32 CO 0.24 -0.06 0.04 0.21 -0.54 0.00 0.00 175.26 175.16 1xmw s LYS 33 N -0.71 0.96 -1.44 4.30 2.20 0.25 -2.95 119.74 122.35 1xmw s LYS 33 Ca -0.08 -0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 54.50 1xmw s LYS 33 Cb -0.05 -2.24 0.08 0.00 -1.51 0.00 0.00 37.83 34.11 1xmw s LYS 33 CO 0.00 -0.80 0.70 -1.71 -0.36 0.00 0.00 175.35 173.19 1xmw n ASN 34 N 4.82 -4.39 0.00 1.43 4.05 -0.16 -0.72 115.26 120.30 1xmw n ASN 34 Ca -0.06 -0.56 0.00 0.00 0.45 0.00 0.00 54.58 54.41 1xmw n ASN 34 Cb 0.44 -3.56 0.00 0.00 1.23 0.00 0.00 39.78 37.89 1xmw n ASN 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xmw n GLY 35 N -1.42 0.81 2.91 8.20 0.00 -1.26 -4.98 105.19 109.45 1xmw n GLY 35 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 1xmw n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xmw s GLN 36 N -2.63 1.50 0.59 1.61 -0.44 0.10 -5.12 119.66 115.27 1xmw s GLN 36 Ca 0.00 -0.25 -0.20 0.00 -2.50 0.00 0.00 55.36 52.41 1xmw s GLN 36 Cb 0.00 -1.53 -0.03 0.00 -1.64 0.00 0.00 33.01 29.81 1xmw s GLN 36 CO 0.00 -0.23 1.27 -1.21 0.50 0.00 0.00 175.29 175.62 1xmw s GLU 37 N 1.58 2.93 -0.40 1.67 2.02 -1.26 0.87 118.70 126.12 1xmw s GLU 37 Ca 0.02 2.00 -0.00 0.00 0.02 0.00 0.00 54.97 57.01 1xmw s GLU 37 Cb -0.13 -2.01 0.11 0.00 0.10 0.00 0.00 34.13 32.20 1xmw s GLU 37 CO -0.07 -1.28 0.16 -0.51 0.02 0.00 0.00 175.26 173.58 1xmw s LEU 38 N -3.97 5.06 0.82 1.80 1.43 -0.84 -4.79 118.68 118.19 1xmw s LEU 38 Ca 0.77 -2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.62 1xmw s LEU 38 Cb -0.35 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.20 1xmw s LEU 38 CO 0.39 -0.47 1.09 -2.16 0.23 0.00 0.00 176.35 175.42 1xmw s PRO 39 N 0.97 1.91 0.59 1.29 0.04 -1.26 -4.23 135.00 134.31 1xmw s PRO 39 Ca 0.10 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1xmw s PRO 39 Cb -0.21 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1xmw s PRO 39 CO -0.05 -1.79 0.00 0.94 0.04 0.00 0.00 177.00 176.13 1xmw n GLN 40 N -3.58 -3.60 -2.69 4.56 -0.06 -1.26 -4.96 117.38 105.79 1xmw n GLN 40 Ca 0.07 2.87 -0.05 0.00 -2.00 0.00 0.00 57.00 57.90 1xmw n GLN 40 Cb 0.55 -3.82 -0.04 0.00 -4.06 0.00 0.00 30.24 22.87 1xmw n GLN 40 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1xmw n LYS 41 N -3.41 -4.05 -2.48 3.69 4.81 -1.26 -4.96 118.16 110.50 1xmw n LYS 41 Ca -0.05 3.10 -0.19 0.00 -0.87 0.00 0.00 58.31 60.30 1xmw n LYS 41 Cb 0.56 -4.41 0.02 0.00 0.02 0.00 0.00 35.03 31.22 1xmw n LYS 41 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1xmw n HIS 42 N 1.81 2.49 -3.33 5.64 8.25 -1.26 -4.86 115.22 123.97 1xmw n HIS 42 Ca -0.35 -2.77 -0.25 0.00 -0.26 0.00 0.00 57.72 54.09 1xmw n HIS 42 Cb 0.54 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 1xmw n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xmw s ASP 43 N -3.47 6.32 0.56 0.41 1.11 -1.26 -3.74 116.67 116.59 1xmw s ASP 43 Ca 0.41 0.52 0.24 0.00 0.18 0.00 0.00 52.55 53.90 1xmw s ASP 43 Cb 0.41 -2.06 1.53 0.00 1.07 0.00 0.00 42.92 43.86 1xmw s ASP 43 CO -0.07 -0.29 2.14 0.50 1.18 0.00 0.00 175.17 178.63 1xmw h LYS 44 N 0.89 0.00 -5.08 8.23 3.64 -1.89 -3.39 116.57 118.97 1xmw h LYS 44 Ca -0.49 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.26 1xmw h LYS 44 Cb 1.21 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.87 1xmw h LYS 44 CO 0.62 0.00 -0.53 -1.01 -2.27 0.00 0.00 179.45 176.27 1xmw s HIS 45 N -4.84 3.27 -0.67 1.91 3.76 -1.26 0.16 115.29 117.61 1xmw s HIS 45 Ca -0.05 0.12 -0.14 0.00 -0.15 0.00 0.00 55.06 54.84 1xmw s HIS 45 Cb 0.16 -2.25 0.17 0.00 1.11 0.00 0.00 32.58 31.78 1xmw s HIS 45 CO 0.62 0.01 0.61 -1.17 -0.85 0.00 0.00 174.74 173.96 1xmw s LEU 46 N 1.10 6.40 -0.04 0.89 2.96 0.18 -4.80 118.68 125.37 1xmw s LEU 46 Ca 0.07 -2.26 -0.25 0.00 -0.22 0.00 0.00 54.13 51.46 1xmw s LEU 46 Cb -0.14 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1xmw s LEU 46 CO 0.05 -0.70 0.78 -0.69 -1.32 0.00 0.00 176.35 174.47 1xmw s VAL 47 N 0.85 4.97 -0.35 1.68 1.01 -1.23 -1.39 120.40 125.93 1xmw s VAL 47 Ca 0.11 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1xmw s VAL 47 Cb -0.20 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 32.15 1xmw s VAL 47 CO -0.03 0.24 0.08 -0.76 0.00 0.00 0.00 175.10 174.63 1xmw s LEU 48 N 0.76 4.66 0.29 3.92 1.43 0.12 -4.85 118.68 125.02 1xmw s LEU 48 Ca 0.41 -1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 51.36 1xmw s LEU 48 Cb -0.19 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 1xmw s LEU 48 CO 0.21 -0.40 1.12 0.00 0.23 0.00 0.00 176.35 177.51 1xmw s GLN 49 N 1.08 4.58 -1.05 1.70 0.00 -1.26 -1.73 119.66 122.97 1xmw s GLN 49 Ca 0.05 1.83 -0.13 0.00 -0.00 0.00 0.00 55.36 57.11 1xmw s GLN 49 Cb -0.21 -3.14 -0.03 0.00 0.00 0.00 0.00 33.01 29.64 1xmw s GLN 49 CO -0.05 0.15 0.81 -3.47 0.00 0.00 0.00 175.29 172.73 1xmw n ASP 50 N 1.07 -5.97 -4.47 12.60 2.03 -0.50 -4.88 116.55 116.44 1xmw n ASP 50 Ca -0.01 -0.83 -0.43 0.00 0.52 0.00 0.00 54.79 54.05 1xmw n ASP 50 Cb 0.45 -4.03 -0.03 0.00 -0.72 0.00 0.00 41.12 36.79 1xmw n ASP 50 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1xmw s PHE 51 N -3.37 2.70 0.10 -0.67 5.36 -0.09 -5.01 117.98 117.00 1xmw s PHE 51 Ca 0.40 -0.68 -0.30 0.00 -0.96 0.00 0.00 56.93 55.39 1xmw s PHE 51 Cb -0.11 -4.37 -0.06 0.00 -0.34 0.00 0.00 43.02 38.14 1xmw s PHE 51 CO 0.82 -1.70 1.12 -1.12 -1.46 0.00 0.00 175.22 172.88 1xmw s SER 52 N 3.79 7.20 0.00 6.13 0.01 -1.26 -4.39 113.70 125.18 1xmw s SER 52 Ca 0.28 1.99 0.17 0.00 1.31 0.00 0.00 55.95 59.70 1xmw s SER 52 Cb -0.12 -2.59 0.87 0.00 0.21 0.00 0.00 66.02 64.40 1xmw s SER 52 CO 0.05 -0.34 1.49 1.21 0.41 0.00 0.00 173.24 176.07 1xmw n GLU 53 N 3.30 0.27 0.07 12.44 0.00 -1.26 -1.49 120.64 133.97 1xmw n GLU 53 Ca 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 57.16 57.30 1xmw n GLU 53 Cb 0.47 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.39 1xmw n GLU 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1xmw h VAL 54 N 0.00 0.00 0.00 6.31 2.07 -1.90 -3.33 116.25 119.40 1xmw h VAL 54 Ca 0.00 -0.58 -0.23 0.00 0.82 0.00 0.00 66.70 66.71 1xmw h VAL 54 Cb 0.14 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1xmw h VAL 54 CO 0.00 0.00 -1.97 -0.62 0.02 0.00 0.00 177.57 175.00 1xmw n GLU 55 N -4.27 1.38 0.22 1.57 -0.58 -1.24 -4.43 120.64 113.29 1xmw n GLU 55 Ca -0.03 -0.03 0.11 0.00 -0.42 0.00 0.00 57.16 56.79 1xmw n GLU 55 Cb 0.10 -1.38 0.43 0.00 -0.57 0.00 0.00 31.44 30.02 1xmw n GLU 55 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1xmw h ASP 56 N 0.00 0.00 -3.61 1.62 1.82 -1.51 -3.44 116.42 111.30 1xmw h ASP 56 Ca -0.34 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 55.78 1xmw h ASP 56 Cb 1.72 0.00 0.04 0.00 0.68 0.00 0.00 39.33 41.77 1xmw h ASP 56 CO 0.02 0.19 0.61 -0.94 -1.61 0.00 0.00 179.24 177.51 1xmw s SER 57 N -6.13 6.93 0.00 2.28 1.04 -1.17 -4.90 113.70 111.75 1xmw s SER 57 Ca 0.02 2.46 0.00 0.00 0.48 0.00 0.00 55.95 58.90 1xmw s SER 57 Cb 0.09 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1xmw s SER 57 CO 0.63 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1xmw n GLY 58 N 1.69 -0.50 3.89 7.32 0.00 -1.07 -4.97 105.19 111.56 1xmw n GLY 58 Ca 0.03 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1xmw n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xmw s TYR 59 N -3.07 3.48 -0.08 1.61 1.51 -1.26 -0.74 117.35 118.81 1xmw s TYR 59 Ca 0.00 0.81 -0.06 0.00 -1.01 0.00 0.00 57.07 56.80 1xmw s TYR 59 Cb 0.00 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1xmw s TYR 59 CO 0.00 0.02 0.20 0.71 -1.11 0.00 0.00 175.55 175.37 1xmw s TYR 60 N -2.26 -0.22 0.03 2.71 1.51 0.27 -0.98 117.35 118.41 1xmw s TYR 60 Ca 0.47 0.55 -0.23 0.00 -1.01 0.00 0.00 57.07 56.85 1xmw s TYR 60 Cb -0.10 0.06 0.05 0.00 -0.11 0.00 0.00 41.96 41.86 1xmw s TYR 60 CO 0.32 -0.12 0.52 0.54 -1.11 0.00 0.00 175.55 175.70 1xmw s VAL 61 N 0.29 0.03 0.03 0.71 0.11 -1.15 -2.20 120.40 118.22 1xmw s VAL 61 Ca -0.02 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1xmw s VAL 61 Cb -0.03 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1xmw s VAL 61 CO -0.01 -0.13 -0.02 0.00 -3.33 0.00 0.00 175.10 171.60 1xmw s TYR 63 N -2.58 -0.22 0.39 0.00 -0.85 0.22 -4.76 117.35 109.55 1xmw s TYR 63 Ca -0.06 -0.11 0.06 0.00 -0.52 0.00 0.00 57.07 56.45 1xmw s TYR 63 Cb -0.02 0.47 -0.07 0.00 0.38 0.00 0.00 41.96 42.72 1xmw s TYR 63 CO -0.05 -0.94 0.03 0.95 -1.52 0.00 0.00 175.55 174.02 1xmw s THR 64 N -3.85 1.69 -0.33 -3.49 -4.23 -0.53 0.37 115.64 105.27 1xmw s THR 64 Ca 0.07 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.85 1xmw s THR 64 Cb -0.02 -2.87 0.30 0.00 1.34 0.00 0.00 72.50 71.25 1xmw s THR 64 CO -0.04 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.38 1xmw h PRO 65 N 1.83 0.00 0.00 3.99 0.13 -2.00 -3.17 132.00 132.78 1xmw h PRO 65 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 1xmw h PRO 65 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1xmw h PRO 65 CO 0.77 0.00 -1.54 0.00 -0.23 0.00 0.00 178.00 176.99 1xmw n ALA 66 N -1.88 2.08 -3.94 -0.56 0.00 -1.26 -4.89 120.51 110.06 1xmw n ALA 66 Ca 0.02 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.71 1xmw n ALA 66 Cb 0.28 -0.15 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 1xmw n ALA 66 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xmw s SER 67 N -3.64 4.82 -0.38 0.00 1.04 -1.20 -5.07 113.70 109.27 1xmw s SER 67 Ca -0.04 -1.90 -0.10 0.00 0.48 0.00 0.00 55.95 54.39 1xmw s SER 67 Cb 0.05 -1.66 0.04 0.00 0.10 0.00 0.00 66.02 64.55 1xmw s SER 67 CO 0.40 -0.36 0.20 0.21 0.98 0.00 0.00 173.24 174.67 1xmw s ASN 68 N 1.15 5.63 -0.28 7.02 2.47 -1.26 -1.46 114.94 128.21 1xmw s ASN 68 Ca 0.05 -1.17 0.01 0.00 0.42 0.00 0.00 52.86 52.17 1xmw s ASN 68 Cb -0.20 -1.98 0.08 0.00 -1.45 0.00 0.00 41.25 37.70 1xmw s ASN 68 CO -0.06 -0.42 0.01 -0.54 -3.72 0.00 0.00 177.10 172.38 1xmw s LYS 69 N 1.49 1.34 -0.59 0.43 1.02 -1.26 -5.06 119.74 117.10 1xmw s LYS 69 Ca 0.01 -1.26 -0.26 0.00 0.02 0.00 0.00 55.97 54.49 1xmw s LYS 69 Cb -0.20 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1xmw s LYS 69 CO 0.05 -0.79 2.16 0.54 -0.92 0.00 0.00 175.35 176.38 1xmw s ASN 70 N 1.32 4.77 -0.30 2.83 4.22 -1.26 -4.87 114.94 121.64 1xmw s ASN 70 Ca 0.03 0.58 -0.03 0.00 -2.14 0.00 0.00 52.86 51.30 1xmw s ASN 70 Cb -0.18 -2.52 0.11 0.00 1.28 0.00 0.00 41.25 39.93 1xmw s ASN 70 CO -0.12 -2.76 0.14 -0.89 -2.04 0.00 0.00 177.10 171.44 1xmw s THR 71 N 11.04 0.04 -0.11 0.54 2.01 -1.25 -3.50 115.64 124.41 1xmw s THR 71 Ca 0.83 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1xmw s THR 71 Cb -0.14 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1xmw s THR 71 CO 0.21 -0.76 0.16 -0.31 -0.69 0.00 0.00 174.62 173.23 1xmw s TYR 72 N 1.91 3.60 0.10 4.92 1.51 -0.97 -4.56 117.35 123.87 1xmw s TYR 72 Ca 0.10 0.56 0.06 0.00 -1.01 0.00 0.00 57.07 56.78 1xmw s TYR 72 Cb -0.17 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 1xmw s TYR 72 CO -0.31 0.71 -0.15 -0.48 -1.11 0.00 0.00 175.55 174.22 1xmw s LEU 73 N -0.97 2.34 -0.67 -1.29 0.05 -0.94 0.59 118.68 117.79 1xmw s LEU 73 Ca 0.15 -0.72 -0.16 0.00 0.05 0.00 0.00 54.13 53.45 1xmw s LEU 73 Cb -0.12 -0.56 0.15 0.00 -2.05 0.00 0.00 46.19 43.61 1xmw s LEU 73 CO 0.05 -0.10 0.69 -0.47 -0.55 0.00 0.00 176.35 175.96 1xmw s TYR 74 N -1.70 3.33 -0.55 3.48 5.04 -0.86 -0.57 117.35 125.52 1xmw s TYR 74 Ca 0.04 -1.43 -0.26 0.00 -2.44 0.00 0.00 57.07 52.99 1xmw s TYR 74 Cb -0.07 -3.90 0.04 0.00 0.35 0.00 0.00 41.96 38.37 1xmw s TYR 74 CO 0.03 -1.12 1.02 -1.17 -1.34 0.00 0.00 175.55 172.96 1xmw s LEU 75 N 1.54 3.89 -0.37 6.97 2.96 0.08 -1.74 118.68 132.00 1xmw s LEU 75 Ca 0.12 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1xmw s LEU 75 Cb -0.20 -2.99 0.11 0.00 0.50 0.00 0.00 46.19 43.61 1xmw s LEU 75 CO -0.01 -1.28 0.12 -0.75 -1.32 0.00 0.00 176.35 173.11 1xmw s LYS 76 N 4.24 1.69 0.07 1.98 2.20 -1.01 -2.59 119.74 126.32 1xmw s LYS 76 Ca 0.35 -1.90 0.09 0.00 -0.36 0.00 0.00 55.97 54.15 1xmw s LYS 76 Cb -0.11 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1xmw s LYS 76 CO 0.22 -1.00 -0.24 0.00 -0.36 0.00 0.00 175.35 173.97 1xmw s ALA 77 N 0.92 2.10 -0.19 3.13 0.00 -1.26 0.88 121.76 127.34 1xmw s ALA 77 Ca 0.10 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1xmw s ALA 77 Cb -0.21 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1xmw s ALA 77 CO -0.06 0.48 -0.18 0.50 0.00 0.00 0.00 175.76 176.50 1xmw s ARG 78 N -1.47 2.77 -0.14 0.00 3.52 -1.26 -4.00 118.95 118.37 1xmw s ARG 78 Ca 0.11 -0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 54.79 1xmw s ARG 78 Cb -0.10 -2.56 0.07 0.00 -1.56 0.00 0.00 34.95 30.80 1xmw s ARG 78 CO 0.03 -0.27 0.21 0.14 -0.81 0.00 0.00 175.30 174.60 1xmw s VAL 79 N 1.29 -0.33 0.00 7.11 -7.23 -1.26 -4.88 120.40 115.10 1xmw s VAL 79 Ca 0.03 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1xmw s VAL 79 Cb -0.14 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.32 1xmw s VAL 79 CO -0.11 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1xmw n GLY 80 N 5.33 0.76 3.65 2.32 0.00 -1.26 -4.69 105.19 111.30 1xmw n GLY 80 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1xmw n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmw s SER 81 N 0.00 4.87 -0.33 1.61 1.04 -1.26 -5.03 113.70 114.60 1xmw s SER 81 Ca 0.00 -0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.36 1xmw s SER 81 Cb 0.00 -1.16 0.45 0.00 0.10 0.00 0.00 66.02 65.41 1xmw s SER 81 CO 0.00 0.23 1.16 0.00 0.98 0.00 0.00 173.24 175.61 1xmw n ALA 82 N 1.08 4.85 -2.70 5.32 0.00 -1.26 -5.02 120.51 122.77 1xmw n ALA 82 Ca -0.13 -3.86 -0.37 0.00 0.00 0.00 0.00 53.44 49.08 1xmw n ALA 82 Cb 0.52 -0.43 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 1xmw n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xmw s ASP 83 N -3.58 5.89 -0.08 0.00 2.15 -1.26 -4.93 116.67 114.85 1xmw s ASP 83 Ca 0.48 0.01 0.19 0.00 0.43 0.00 0.00 52.55 53.66 1xmw s ASP 83 Cb 0.40 -2.07 0.35 0.00 -0.30 0.00 0.00 42.92 41.30 1xmw s ASP 83 CO -0.03 0.01 1.15 0.47 -0.17 0.00 0.00 175.17 176.61 1xmw n ASP 84 N 4.66 0.49 0.00 -0.34 9.92 -1.26 -5.00 116.55 125.01 1xmw n ASP 84 Ca -0.15 -2.02 0.00 0.00 -0.53 0.00 0.00 54.79 52.09 1xmw n ASP 84 Cb 0.52 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 1xmw n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xmw n ALA 85 N -0.00 0.00 -2.07 2.24 0.00 -1.26 -5.02 120.51 114.40 1xmw n ALA 85 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1xmw n ALA 85 Cb 0.96 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.42 1xmw n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xmw n LYS 86 N -0.94 0.18 -2.18 0.00 4.81 -1.26 -5.09 118.16 113.69 1xmw n LYS 86 Ca 0.00 -0.31 -0.40 0.00 -0.87 0.00 0.00 58.31 56.73 1xmw n LYS 86 Cb 0.00 0.32 -0.03 0.00 0.02 0.00 0.00 35.03 35.34 1xmw n LYS 86 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1xmw s LYS 87 N 0.02 2.87 0.17 1.64 2.36 -1.26 -4.95 119.74 120.59 1xmw s LYS 87 Ca 0.01 0.49 -0.32 0.00 -2.55 0.00 0.00 55.97 53.60 1xmw s LYS 87 Cb 0.06 -4.30 -0.11 0.00 -1.05 0.00 0.00 37.83 32.43 1xmw s LYS 87 CO -0.02 -2.46 1.69 0.16 1.55 0.00 0.00 175.35 176.27 1xmw s ASP 88 N 6.67 6.46 -0.16 1.43 1.47 -1.26 -4.10 116.67 127.18 1xmw s ASP 88 Ca 0.60 2.76 -0.06 0.00 1.18 0.00 0.00 52.55 57.03 1xmw s ASP 88 Cb -0.12 -2.59 0.02 0.00 -0.34 0.00 0.00 42.92 39.89 1xmw s ASP 88 CO 0.21 -0.93 0.11 0.00 0.68 0.00 0.00 175.17 175.24 1xmw n ALA 89 N 4.34 -2.96 -0.95 2.11 0.00 -1.26 -4.84 120.51 116.95 1xmw n ALA 89 Ca 0.16 1.22 -0.23 0.00 0.00 0.00 0.00 53.44 54.59 1xmw n ALA 89 Cb 0.37 -2.55 0.12 0.00 0.00 0.00 0.00 19.45 17.39 1xmw n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmw n ALA 90 N 1.57 5.34 -2.88 0.00 0.00 -1.26 -4.90 120.51 118.38 1xmw n ALA 90 Ca -0.19 -2.54 -0.12 0.00 0.00 0.00 0.00 53.44 50.59 1xmw n ALA 90 Cb 0.35 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.22 1xmw n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1xmw s LYS 91 N -2.85 0.36 0.41 0.00 2.20 -1.26 -5.13 119.74 113.48 1xmw s LYS 91 Ca 0.49 -0.51 -0.27 0.00 -0.36 0.00 0.00 55.97 55.33 1xmw s LYS 91 Cb 0.40 -0.14 -0.09 0.00 -1.51 0.00 0.00 37.83 36.49 1xmw s LYS 91 CO 0.06 0.02 1.44 0.15 -0.36 0.00 0.00 175.35 176.66 1xmw s LYS 92 N -1.07 3.91 0.21 4.03 -0.14 -1.26 -5.02 119.74 120.40 1xmw s LYS 92 Ca -0.09 2.46 0.11 0.00 -1.36 0.00 0.00 55.97 57.09 1xmw s LYS 92 Cb -0.07 -2.81 -0.05 0.00 -1.68 0.00 0.00 37.83 33.22 1xmw s LYS 92 CO -0.00 -0.65 -0.21 0.16 -0.76 0.00 0.00 175.35 173.88 1xmw s ASP 93 N -0.37 3.25 -0.01 2.83 1.47 -1.26 -5.04 116.67 117.54 1xmw s ASP 93 Ca 0.57 -0.92 0.02 0.00 1.18 0.00 0.00 52.55 53.39 1xmw s ASP 93 Cb -0.44 -0.24 0.03 0.00 -0.34 0.00 0.00 42.92 41.93 1xmw s ASP 93 CO 0.58 0.05 0.92 0.47 0.68 0.00 0.00 175.17 177.87 1xmw n ASP 94 N -0.01 0.26 0.00 2.11 9.92 -1.26 -5.04 116.55 122.52 1xmw n ASP 94 Ca -0.10 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.24 1xmw n ASP 94 Cb 0.58 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1xmw n ASP 94 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xmw n ALA 95 N -0.14 0.00 0.24 2.24 0.00 -1.26 -3.93 120.51 117.66 1xmw n ALA 95 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1xmw n ALA 95 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 1xmw n ALA 95 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xmw h LYS 96 N 0.00 -0.76 -6.20 0.00 1.63 -2.05 -3.46 116.57 105.72 1xmw h LYS 96 Ca 0.00 0.05 -0.44 0.00 -0.85 0.00 0.00 60.65 59.41 1xmw h LYS 96 Cb 0.00 0.17 0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1xmw h LYS 96 CO 0.00 -0.51 -0.84 1.17 -3.45 0.00 0.00 179.45 175.82 1xmw n LYS 97 N -4.72 -4.47 -1.87 1.90 3.00 -1.25 -4.81 118.16 105.93 1xmw n LYS 97 Ca -0.10 0.56 -0.41 0.00 -0.00 0.00 0.00 58.31 58.37 1xmw n LYS 97 Cb 0.36 -5.00 -0.02 0.00 0.00 0.00 0.00 35.03 30.36 1xmw n LYS 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1xmw n ASP 98 N -3.04 3.74 -4.78 3.14 5.75 -1.26 -4.95 116.55 115.15 1xmw n ASP 98 Ca -0.30 -2.81 -0.36 0.00 -0.01 0.00 0.00 54.79 51.32 1xmw n ASP 98 Cb 0.68 -1.57 -0.03 0.00 -1.03 0.00 0.00 41.12 39.17 1xmw n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xmw s ASP 99 N 4.31 6.45 -0.44 -1.12 2.15 -1.26 -5.02 116.67 121.74 1xmw s ASP 99 Ca 0.54 2.06 0.03 0.00 0.43 0.00 0.00 52.55 55.61 1xmw s ASP 99 Cb 0.10 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 40.25 1xmw s ASP 99 CO 0.03 -0.71 0.18 0.00 -0.17 0.00 0.00 175.17 174.51 1xmw s ALA 100 N -1.75 3.15 0.15 3.66 0.00 -1.26 -5.08 121.76 120.62 1xmw s ALA 100 Ca 0.63 -2.90 0.05 0.00 0.00 0.00 0.00 51.96 49.74 1xmw s ALA 100 Cb -0.21 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1xmw s ALA 100 CO 0.26 -1.87 -0.11 0.21 0.00 0.00 0.00 175.76 174.25 1xmw s LYS 101 N 0.35 1.07 0.03 0.00 2.47 -1.26 -5.16 119.74 117.25 1xmw s LYS 101 Ca 0.14 -1.41 -0.09 0.00 -1.56 0.00 0.00 55.97 53.05 1xmw s LYS 101 Cb -0.22 -0.74 0.00 0.00 -1.46 0.00 0.00 37.83 35.41 1xmw s LYS 101 CO -0.04 0.11 0.18 -1.59 0.16 0.00 0.00 175.35 174.17 1xmw s LYS 102 N -3.46 0.64 -0.38 4.03 -2.85 -1.26 -5.13 119.74 111.34 1xmw s LYS 102 Ca 0.15 -0.60 -0.10 0.00 -1.00 0.00 0.00 55.97 54.43 1xmw s LYS 102 Cb 0.00 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1xmw s LYS 102 CO 0.02 -0.18 0.20 -0.51 0.10 0.00 0.00 175.35 174.98 1xmw s ASP 103 N -1.95 5.67 0.43 0.03 1.01 -1.26 -4.98 116.67 115.62 1xmw s ASP 103 Ca -0.07 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.10 1xmw s ASP 103 Cb -0.02 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.91 1xmw s ASP 103 CO -0.03 -0.40 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1xmw n GLY 104 N 4.96 -2.97 1.79 0.21 0.00 -1.26 -5.04 105.19 102.88 1xmw n GLY 104 Ca -0.12 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1xmw n GLY 104 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xmw n SER 105 N -3.76 -2.85 -3.02 1.61 2.88 -1.26 -4.97 113.62 102.25 1xmw n SER 105 Ca -0.06 0.68 -0.37 0.00 -1.33 0.00 0.00 58.87 57.79 1xmw n SER 105 Cb 0.50 2.79 0.01 0.00 -0.75 0.00 0.00 64.21 66.76 1xmw n SER 105 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1xmw n GLN 106 N -3.19 3.43 -2.95 -1.46 7.27 -1.26 -4.63 117.38 114.59 1xmw n GLN 106 Ca 0.00 -3.45 -0.15 0.00 0.07 0.00 0.00 57.00 53.47 1xmw n GLN 106 Cb 0.00 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.33 1xmw n GLN 106 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1xmw n THR 107 N 0.18 -0.28 -2.13 1.69 5.66 -1.26 -5.00 114.28 113.14 1xmw n THR 107 Ca 0.52 -2.72 -0.39 0.00 -3.05 0.00 0.00 64.05 58.41 1xmw n THR 107 Cb 0.32 0.04 0.03 0.00 -1.55 0.00 0.00 70.33 69.16 1xmw n THR 107 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xmw n ASN 108 N 1.31 7.43 0.17 1.09 3.02 -1.26 -4.50 115.26 122.52 1xmw n ASN 108 Ca 0.15 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.97 1xmw n ASN 108 Cb 0.60 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1xmw n ASN 108 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xmw n LYS 109 N -0.21 0.00 -4.10 3.52 5.02 -1.26 -5.13 118.16 116.00 1xmw n LYS 109 Ca 0.52 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.55 1xmw n LYS 109 Cb 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.21 1xmw n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xmw s ALA 110 N -1.97 3.52 -0.15 7.82 0.00 -1.26 -5.12 121.76 124.60 1xmw s ALA 110 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 1xmw s ALA 110 Cb 0.00 -1.31 0.12 0.00 0.00 0.00 0.00 23.12 21.93 1xmw s ALA 110 CO 0.00 0.48 0.97 0.15 0.00 0.00 0.00 175.76 177.36 1xmw s LYS 111 N -3.14 0.63 1.36 0.00 1.02 -1.26 -5.01 119.74 113.34 1xmw s LYS 111 Ca 0.31 0.14 -0.21 0.00 0.02 0.00 0.00 55.97 56.23 1xmw s LYS 111 Cb -0.10 0.30 0.34 0.00 -0.52 0.00 0.00 37.83 37.86 1xmw s LYS 111 CO 0.23 -0.20 0.96 1.03 -0.92 0.00 0.00 175.35 176.45 1xmw s ARG 112 N -1.19 -2.43 -0.01 1.68 3.00 -1.26 -5.03 118.95 113.72 1xmw s ARG 112 Ca -0.02 0.23 -0.01 0.00 0.00 0.00 0.00 55.73 55.93 1xmw s ARG 112 Cb -0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 34.95 33.52 1xmw s ARG 112 CO 0.02 -4.57 -0.02 0.00 0.00 0.00 0.00 175.30 170.73 1xmw n ALA 113 N -5.43 0.04 -2.65 2.13 0.00 -1.26 -4.90 120.51 108.44 1xmw n ALA 113 Ca 0.11 -0.28 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 1xmw n ALA 113 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 1xmw n ALA 113 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xmw s LEU 114 N -5.14 4.20 0.24 0.00 0.20 -1.26 -3.10 118.68 113.82 1xmw s LEU 114 Ca -0.01 0.58 -0.20 0.00 0.69 0.00 0.00 54.13 55.19 1xmw s LEU 114 Cb 0.00 -3.35 0.03 0.00 -0.43 0.00 0.00 46.19 42.44 1xmw s LEU 114 CO 0.02 -0.05 0.64 -0.70 -0.29 0.00 0.00 176.35 175.97 1xmw s GLU 115 N -3.09 1.59 -0.03 1.98 -6.30 0.25 -4.94 118.70 108.16 1xmw s GLU 115 Ca 0.41 -0.88 0.01 0.00 -2.50 0.00 0.00 54.97 52.02 1xmw s GLU 115 Cb -0.11 0.58 0.02 0.00 0.00 0.00 0.00 34.13 34.61 1xmw s GLU 115 CO 0.27 -0.71 -0.03 0.54 0.02 0.00 0.00 175.26 175.35 1xmw s VAL 116 N -3.88 0.37 0.13 3.70 0.11 -1.26 0.11 120.40 119.68 1xmw s VAL 116 Ca 0.09 -0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.13 1xmw s VAL 116 Cb -0.04 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1xmw s VAL 116 CO 0.01 0.16 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.56 1xmw s LEU 117 N 0.63 2.39 -0.33 2.54 0.20 -0.86 -4.95 118.68 118.30 1xmw s LEU 117 Ca -0.07 -0.80 -0.06 0.00 0.69 0.00 0.00 54.13 53.89 1xmw s LEU 117 Cb -0.11 -0.69 0.04 0.00 -0.43 0.00 0.00 46.19 45.00 1xmw s LEU 117 CO -0.01 -0.07 0.10 -1.61 -0.29 0.00 0.00 176.35 174.47 1xmw s GLU 118 N -2.55 2.67 -0.02 1.98 8.01 -1.26 -1.74 118.70 125.80 1xmw s GLU 118 Ca 0.10 -1.14 0.04 0.00 0.01 0.00 0.00 54.97 53.98 1xmw s GLU 118 Cb -0.06 -3.43 -0.01 0.00 -4.31 0.00 0.00 34.13 26.32 1xmw s GLU 118 CO 0.04 -0.64 -0.15 0.00 0.01 0.00 0.00 175.26 174.53 1xmw s ALA 119 N 1.41 1.28 -1.28 5.21 0.00 0.32 -4.81 121.76 123.88 1xmw s ALA 119 Ca -0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 1xmw s ALA 119 Cb -0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1xmw s ALA 119 CO 0.03 0.29 0.63 -1.91 0.00 0.00 0.00 175.76 174.80 1xmw n GLU 120 N 2.84 -3.21 -1.86 0.00 2.13 -1.26 -0.07 120.64 119.22 1xmw n GLU 120 Ca -0.15 0.51 -0.14 0.00 0.66 0.00 0.00 57.16 58.03 1xmw n GLU 120 Cb 0.54 -4.68 -0.04 0.00 0.27 0.00 0.00 31.44 27.54 1xmw n GLU 120 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xmw n ASP 121 N -2.93 -3.92 -4.16 4.31 8.00 -1.26 -4.93 116.55 111.66 1xmw n ASP 121 Ca -0.24 0.26 -0.17 0.00 0.71 0.00 0.00 54.79 55.35 1xmw n ASP 121 Cb 0.65 -3.49 -0.12 0.00 -0.02 0.00 0.00 41.12 38.15 1xmw n ASP 121 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xmw s LYS 122 N -4.00 0.80 -0.04 -1.24 1.02 0.91 -2.85 119.74 114.33 1xmw s LYS 122 Ca 0.00 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.09 1xmw s LYS 122 Cb 0.00 -0.74 -0.01 0.00 -0.52 0.00 0.00 37.83 36.56 1xmw s LYS 122 CO 0.00 0.16 -0.22 0.14 -0.92 0.00 0.00 175.35 174.50 1xmw s VAL 123 N -1.43 1.82 0.06 3.17 -7.23 -0.99 0.12 120.40 115.92 1xmw s VAL 123 Ca -0.02 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 1xmw s VAL 123 Cb -0.09 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1xmw s VAL 123 CO 0.02 0.51 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.56 1xmw s ILE 124 N -0.23 0.98 -0.24 -0.62 -1.09 -0.71 -2.98 121.20 116.30 1xmw s ILE 124 Ca 0.00 -1.25 -0.10 0.00 -2.23 0.00 0.00 60.65 57.07 1xmw s ILE 124 Cb -0.12 -0.96 -0.05 0.00 -1.58 0.00 0.00 42.46 39.75 1xmw s ILE 124 CO 0.02 -0.26 0.16 -0.76 -1.23 0.00 0.00 174.94 172.87 1xmw s LEU 125 N -1.70 4.07 -0.09 2.97 1.43 -1.12 -2.04 118.68 122.21 1xmw s LEU 125 Ca -0.04 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1xmw s LEU 125 Cb -0.10 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1xmw s LEU 125 CO 0.02 0.05 -0.17 -0.54 0.23 0.00 0.00 176.35 175.94 1xmw s LYS 126 N 1.15 2.95 0.17 1.70 1.02 0.29 -1.97 119.74 125.05 1xmw s LYS 126 Ca 0.07 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1xmw s LYS 126 Cb -0.14 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1xmw s LYS 126 CO 0.05 0.36 -0.02 0.00 -0.92 0.00 0.00 175.35 174.82 1xmw n ASN 128 N -0.25 0.00 0.00 0.00 5.15 -1.18 -4.80 115.26 114.18 1xmw n ASN 128 Ca -0.07 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1xmw n ASN 128 Cb 0.63 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 1xmw n ASN 128 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1xmw n SER 129 N -1.39 0.00 -4.55 1.20 3.41 -1.26 -5.05 113.62 105.97 1xmw n SER 129 Ca 0.00 0.00 -0.54 0.00 -0.26 0.00 0.00 58.87 58.07 1xmw n SER 129 Cb 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1xmw n SER 129 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xmw n SER 130 N 0.00 2.24 -4.71 4.04 3.41 -1.25 -3.99 113.62 113.36 1xmw n SER 130 Ca 0.00 0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 58.92 1xmw n SER 130 Cb 0.00 -1.20 -0.03 0.00 -0.26 0.00 0.00 64.21 62.72 1xmw n SER 130 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xmw s ILE 131 N 5.54 4.30 -0.28 -1.33 1.01 0.47 -3.36 121.20 127.55 1xmw s ILE 131 Ca 1.05 1.65 -0.29 0.00 0.00 0.00 0.00 60.65 63.05 1xmw s ILE 131 Cb -0.97 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 37.45 1xmw s ILE 131 CO 0.57 0.09 1.14 -0.89 0.00 0.00 0.00 174.94 175.85 1xmw s THR 132 N 1.34 4.43 -0.72 2.92 2.01 0.50 -4.91 115.64 121.22 1xmw s THR 132 Ca 0.56 1.67 -0.27 0.00 0.31 0.00 0.00 61.69 63.96 1xmw s THR 132 Cb -0.26 -4.29 0.03 0.00 0.01 0.00 0.00 72.50 67.98 1xmw s THR 132 CO 0.27 -0.39 1.29 -0.22 -0.69 0.00 0.00 174.62 174.88 1xmw s LEU 133 N 3.71 3.20 -0.04 4.42 1.98 -1.26 -0.65 118.68 130.04 1xmw s LEU 133 Ca 0.49 -0.35 -0.09 0.00 -2.89 0.00 0.00 54.13 51.28 1xmw s LEU 133 Cb -0.15 -2.64 -0.05 0.00 0.66 0.00 0.00 46.19 44.02 1xmw s LEU 133 CO 0.15 -1.81 0.43 -0.07 -1.89 0.00 0.00 176.35 173.17 1xmw h LEU 134 N 12.99 -0.27 0.00 -0.68 3.38 -1.87 -3.48 115.31 125.37 1xmw h LEU 134 Ca -0.28 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.78 1xmw h LEU 134 Cb 1.05 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1xmw h LEU 134 CO 1.27 0.08 0.24 0.00 0.09 0.00 0.00 178.44 180.11 1xmw n GLN 135 N -4.35 0.14 0.00 1.13 10.64 -1.10 -5.02 117.38 118.82 1xmw n GLN 135 Ca -0.04 -0.37 0.00 0.00 -1.83 0.00 0.00 57.00 54.76 1xmw n GLN 135 Cb 0.12 0.53 0.00 0.00 -0.86 0.00 0.00 30.24 30.04 1xmw n GLN 135 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xmw n GLY 136 N -0.27 0.52 3.54 2.61 0.00 -1.26 -1.72 105.19 108.62 1xmw n GLY 136 Ca 0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1xmw n GLY 136 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xmw n THR 137 N 0.00 -0.03 -2.82 2.61 5.66 -0.80 -4.80 114.28 114.10 1xmw n THR 137 Ca 0.00 -0.54 -0.41 0.00 -3.05 0.00 0.00 64.05 60.05 1xmw n THR 137 Cb 0.00 -1.79 0.01 0.00 -1.55 0.00 0.00 70.33 67.00 1xmw n THR 137 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xmw n ALA 138 N 14.53 5.63 -1.00 1.79 0.00 -1.26 -4.84 120.51 135.36 1xmw n ALA 138 Ca 0.49 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 49.23 1xmw n ALA 138 Cb 0.37 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1xmw n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmw n GLY 139 N 0.53 -1.50 2.98 0.00 0.00 -1.26 -4.94 105.19 100.99 1xmw n GLY 139 Ca 0.37 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1xmw n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xmw s GLN 140 N 0.00 0.98 0.12 1.61 0.74 -0.97 -4.82 119.66 117.32 1xmw s GLN 140 Ca 0.00 -0.26 -0.31 0.00 0.05 0.00 0.00 55.36 54.84 1xmw s GLN 140 Cb 0.00 -0.91 -0.07 0.00 1.10 0.00 0.00 33.01 33.13 1xmw s GLN 140 CO 0.00 0.06 1.29 -1.21 -0.55 0.00 0.00 175.29 174.88 1xmw s GLU 141 N 0.39 4.39 0.00 1.67 2.02 -1.26 -1.50 118.70 124.41 1xmw s GLU 141 Ca -0.06 1.95 0.00 0.00 0.02 0.00 0.00 54.97 56.88 1xmw s GLU 141 Cb -0.10 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1xmw s GLU 141 CO 0.01 -0.31 0.00 1.55 0.02 0.00 0.00 175.26 176.53 1xmw n VAL 142 N 3.53 0.00 -0.06 2.63 3.14 0.31 -4.60 118.33 123.28 1xmw n VAL 142 Ca 0.09 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.39 1xmw n VAL 142 Cb 0.44 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.21 1xmw n VAL 142 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1xmw h SER 143 N -0.26 -0.04 -0.43 6.55 4.64 -1.95 -2.96 113.55 119.10 1xmw h SER 143 Ca 0.00 0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 61.09 1xmw h SER 143 Cb 0.00 0.08 -0.18 0.00 -0.31 0.00 0.00 62.40 61.99 1xmw h SER 143 CO 0.00 0.01 -0.28 0.47 -0.87 0.00 0.00 176.83 176.16 1xmw n ASP 144 N -5.12 3.31 -0.32 4.97 9.92 -1.26 -4.91 116.55 123.14 1xmw n ASP 144 Ca -0.01 -3.81 -0.04 0.00 -0.53 0.00 0.00 54.79 50.39 1xmw n ASP 144 Cb 0.12 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 40.02 1xmw n ASP 144 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1xmw n ASN 145 N -1.01 -5.77 0.00 -2.24 5.15 -1.12 -3.89 115.26 106.39 1xmw n ASN 145 Ca 0.35 0.10 0.14 0.00 -0.60 0.00 0.00 54.58 54.57 1xmw n ASN 145 Cb 0.92 -3.70 0.66 0.00 -0.53 0.00 0.00 39.78 37.12 1xmw n ASN 145 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1xmw n LYS 146 N 0.30 0.23 -3.89 1.20 4.81 -1.26 0.18 118.16 119.74 1xmw n LYS 146 Ca -0.04 0.02 -0.11 0.00 -0.87 0.00 0.00 58.31 57.32 1xmw n LYS 146 Cb 0.53 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.98 1xmw n LYS 146 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1xmw s THR 147 N -2.75 0.10 0.07 3.15 2.01 -1.26 -3.12 115.64 113.84 1xmw s THR 147 Ca 0.21 -0.79 0.09 0.00 0.31 0.00 0.00 61.69 61.51 1xmw s THR 147 Cb 0.18 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1xmw s THR 147 CO 0.46 -0.43 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.50 1xmw s LEU 148 N -1.53 2.22 -0.45 4.42 1.98 -0.83 0.11 118.68 124.60 1xmw s LEU 148 Ca -0.13 -0.62 0.02 0.00 -2.89 0.00 0.00 54.13 50.51 1xmw s LEU 148 Cb -0.07 -1.08 0.12 0.00 0.66 0.00 0.00 46.19 45.82 1xmw s LEU 148 CO 0.00 0.17 0.20 0.21 -1.89 0.00 0.00 176.35 175.04 1xmw s ASN 149 N -1.52 4.72 0.18 3.68 3.04 -0.56 -2.79 114.94 121.68 1xmw s ASN 149 Ca 0.10 -2.56 0.09 0.00 0.04 0.00 0.00 52.86 50.53 1xmw s ASN 149 Cb -0.10 -1.69 -0.03 0.00 -1.54 0.00 0.00 41.25 37.90 1xmw s ASN 149 CO 0.03 -0.34 1.38 -0.07 -3.04 0.00 0.00 177.10 175.06 1xmw h LEU 150 N 7.17 0.00 0.00 3.21 3.38 -1.87 -2.57 115.31 124.63 1xmw h LEU 150 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xmw h LEU 150 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1xmw h LEU 150 CO 0.63 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.62 1xmw n GLY 151 N 1.05 0.23 3.79 0.83 0.00 -1.26 -4.84 105.19 105.01 1xmw n GLY 151 Ca -0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1xmw n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmw s LYS 152 N 0.00 2.54 0.10 1.61 1.02 -1.26 -2.35 119.74 121.39 1xmw s LYS 152 Ca 0.00 1.00 0.23 0.00 0.02 0.00 0.00 55.97 57.22 1xmw s LYS 152 Cb 0.00 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1xmw s LYS 152 CO 0.00 -1.40 1.02 2.89 -0.92 0.00 0.00 175.35 176.94 1xmw n ARG 153 N -3.34 0.42 0.00 1.68 1.85 -1.13 -3.85 116.66 112.29 1xmw n ARG 153 Ca 0.08 0.03 0.15 0.00 -1.00 0.00 0.00 57.85 57.11 1xmw n ARG 153 Cb 0.54 -1.67 0.84 0.00 -1.05 0.00 0.00 32.46 31.12 1xmw n ARG 153 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1xmw n ILE 154 N -2.23 0.00 0.27 8.89 -0.00 -1.26 -3.65 119.36 121.38 1xmw n ILE 154 Ca 0.01 -0.05 0.01 0.00 -0.00 0.00 0.00 62.75 62.72 1xmw n ILE 154 Cb 0.48 -0.29 0.14 0.00 -0.00 0.00 0.00 39.64 39.98 1xmw n ILE 154 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1xmw n GLU 155 N -0.80 2.33 -3.67 0.38 -0.58 -1.25 -4.88 120.64 112.18 1xmw n GLU 155 Ca 0.22 -1.18 -0.24 0.00 -0.42 0.00 0.00 57.16 55.54 1xmw n GLU 155 Cb 0.17 -1.74 0.03 0.00 -0.57 0.00 0.00 31.44 29.34 1xmw n GLU 155 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1xmw n ASP 156 N 0.18 -2.75 -4.64 1.62 -0.08 -1.24 -4.87 116.55 104.77 1xmw n ASP 156 Ca 0.12 -0.87 -0.43 0.00 -1.51 0.00 0.00 54.79 52.10 1xmw n ASP 156 Cb 0.66 -3.93 -0.02 0.00 2.34 0.00 0.00 41.12 40.17 1xmw n ASP 156 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1xmw s PRO 157 N -5.85 4.02 -0.05 -0.67 0.04 -1.26 -4.74 135.00 126.49 1xmw s PRO 157 Ca 0.17 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1xmw s PRO 157 Cb -0.05 -3.90 0.04 0.00 0.04 0.00 0.00 34.50 30.63 1xmw s PRO 157 CO 0.82 -1.00 0.11 -0.98 0.04 0.00 0.00 177.00 175.99 1xmw s ARG 158 N 4.07 0.02 0.00 4.56 1.04 -1.26 -2.07 118.95 125.31 1xmw s ARG 158 Ca 0.62 0.36 0.00 0.00 -1.04 0.00 0.00 55.73 55.67 1xmw s ARG 158 Cb -0.23 -0.26 0.00 0.00 -2.04 0.00 0.00 34.95 32.42 1xmw s ARG 158 CO 0.23 -0.22 0.00 0.41 -0.04 0.00 0.00 175.30 175.68 1xmw n GLY 159 N 4.58 1.31 3.25 3.88 0.00 0.31 -1.91 105.19 116.61 1xmw n GLY 159 Ca -0.19 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1xmw n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xmw s MET 160 N 0.69 0.58 -0.05 1.61 1.75 -0.70 0.11 119.30 123.28 1xmw s MET 160 Ca 0.00 0.11 -0.04 0.00 -1.25 0.00 0.00 55.69 54.51 1xmw s MET 160 Cb 0.00 0.26 0.02 0.00 2.84 0.00 0.00 34.83 37.96 1xmw s MET 160 CO 0.00 -0.13 0.14 0.71 -0.65 0.00 0.00 175.02 175.09 1xmw s TYR 161 N -0.69 -0.15 0.28 4.11 2.02 0.21 -2.73 117.35 120.40 1xmw s TYR 161 Ca -0.08 0.40 0.07 0.00 -0.37 0.00 0.00 57.07 57.09 1xmw s TYR 161 Cb -0.04 0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.50 1xmw s TYR 161 CO 0.03 -0.10 0.23 -1.14 -1.57 0.00 0.00 175.55 172.99 1xmw s GLN 162 N 0.40 2.88 0.86 -0.62 0.74 0.18 -1.85 119.66 122.25 1xmw s GLN 162 Ca -0.03 -1.12 -0.08 0.00 0.05 0.00 0.00 55.36 54.18 1xmw s GLN 162 Cb -0.04 -2.54 0.18 0.00 1.10 0.00 0.00 33.01 31.71 1xmw s GLN 162 CO -0.02 0.31 1.18 0.00 -0.55 0.00 0.00 175.29 176.22 1xmw s GLY 164 N -4.87 2.83 0.01 0.00 0.00 -1.21 -4.42 107.32 99.66 1xmw s GLY 164 Ca 0.72 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 1xmw s GLY 164 CO 0.49 1.21 1.55 1.85 0.00 0.00 0.00 173.10 178.20 1xmw s GLU 165 N 0.08 4.22 0.00 2.90 2.12 -1.26 -4.58 118.70 122.18 1xmw s GLU 165 Ca 0.41 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.88 1xmw s GLU 165 Cb -0.21 -3.69 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1xmw s GLU 165 CO 0.24 -0.70 0.00 -1.71 -0.54 0.00 0.00 175.26 172.55 1xmw n ASN 166 N 5.93 0.00 -0.05 -1.70 5.15 -1.26 -4.97 115.26 118.35 1xmw n ASN 166 Ca 0.15 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.12 1xmw n ASN 166 Cb 0.42 0.15 -0.14 0.00 -0.53 0.00 0.00 39.78 39.68 1xmw n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xmw n ALA 167 N -1.71 2.02 -3.23 5.20 0.00 -1.26 -4.98 120.51 116.55 1xmw n ALA 167 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 53.44 52.61 1xmw n ALA 167 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1xmw n ALA 167 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1xmw s LYS 168 N -2.77 0.14 0.22 0.00 2.20 -1.26 -5.15 119.74 113.13 1xmw s LYS 168 Ca -0.08 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.56 1xmw s LYS 168 Cb 0.08 0.19 -0.09 0.00 -1.51 0.00 0.00 37.83 36.50 1xmw s LYS 168 CO 0.74 -0.09 1.13 0.45 -0.36 0.00 0.00 175.35 177.22 1xmw s SER 169 N 2.50 7.21 0.01 1.43 0.15 -1.26 -4.85 113.70 118.89 1xmw s SER 169 Ca -0.02 2.21 0.01 0.00 0.70 0.00 0.00 55.95 58.85 1xmw s SER 169 Cb -0.05 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1xmw s SER 169 CO -0.14 -0.24 -0.03 0.12 1.20 0.00 0.00 173.24 174.15 1xmw s PHE 170 N -0.55 0.27 -0.03 3.44 2.19 -1.26 -4.96 117.98 117.09 1xmw s PHE 170 Ca 0.48 -0.29 0.00 0.00 0.33 0.00 0.00 56.93 57.46 1xmw s PHE 170 Cb -0.31 -0.18 0.03 0.00 -1.31 0.00 0.00 43.02 41.24 1xmw s PHE 170 CO 0.38 -0.08 0.01 0.99 1.83 0.00 0.00 175.22 178.34 1xmw s THR 171 N -0.77 0.12 0.01 0.12 2.01 -1.23 0.41 115.64 116.30 1xmw s THR 171 Ca -0.07 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1xmw s THR 171 Cb -0.06 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1xmw s THR 171 CO -0.00 0.13 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.71 1xmw s LEU 172 N 1.00 2.07 -0.27 4.42 0.20 -0.77 -2.28 118.68 123.05 1xmw s LEU 172 Ca -0.10 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 54.45 1xmw s LEU 172 Cb -0.13 -0.61 0.07 0.00 -0.43 0.00 0.00 46.19 45.09 1xmw s LEU 172 CO -0.02 0.11 -0.07 -1.58 -0.29 0.00 0.00 176.35 174.50 1xmw s GLN 173 N -0.57 1.97 0.43 1.98 0.74 0.20 -0.62 119.66 123.79 1xmw s GLN 173 Ca 0.03 -1.36 -0.21 0.00 0.05 0.00 0.00 55.36 53.87 1xmw s GLN 173 Cb -0.06 -2.87 -0.10 0.00 1.10 0.00 0.00 33.01 31.08 1xmw s GLN 173 CO 0.00 -0.64 0.97 0.54 -0.55 0.00 0.00 175.29 175.60 1xmw s VAL 174 N 1.13 4.27 -0.34 1.34 0.11 0.30 -2.03 120.40 125.18 1xmw s VAL 174 Ca -0.05 1.45 0.02 0.00 -2.93 0.00 0.00 61.98 60.47 1xmw s VAL 174 Cb -0.20 -3.61 0.15 0.00 -1.53 0.00 0.00 36.38 31.20 1xmw s VAL 174 CO -0.06 -0.27 0.37 -0.47 -3.33 0.00 0.00 175.10 171.34 1xmw s TYR 175 N -2.10 -0.50 -0.57 1.54 6.14 -0.71 -0.53 117.35 120.62 1xmw s TYR 175 Ca 0.62 -0.44 -0.24 0.00 0.64 0.00 0.00 57.07 57.65 1xmw s TYR 175 Cb -0.11 -0.36 0.05 0.00 0.42 0.00 0.00 41.96 41.96 1xmw s TYR 175 CO 0.15 -0.97 0.95 0.71 0.64 0.00 0.00 175.55 177.03 1xmw s TYR 176 N 1.87 2.76 0.00 4.97 1.51 -0.88 -2.39 117.35 125.19 1xmw s TYR 176 Ca 0.14 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1xmw s TYR 176 Cb -0.14 -4.11 0.00 0.00 -0.11 0.00 0.00 41.96 37.60 1xmw s TYR 176 CO -0.16 -1.42 0.00 0.54 -1.11 0.00 0.00 175.55 173.41 1xmw n ARG 177 N 7.53 0.00 0.00 -0.62 1.74 0.25 -4.51 116.66 121.05 1xmw n ARG 177 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1xmw n ARG 177 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1xmw n ARG 177 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11