#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y21 n PRO 4 N 0.00 0.90 0.07 0.52 -0.04 -1.26 -4.94 135.00 130.24 1y21 n PRO 4 Ca 0.00 0.35 -0.11 0.00 -0.04 0.00 0.00 63.50 63.70 1y21 n PRO 4 Cb 0.00 -2.20 -0.01 0.00 -0.04 0.00 0.00 33.50 31.25 1y21 n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y21 h ALA 5 N 0.46 0.49 -2.61 0.55 0.00 -2.01 -3.44 119.26 112.70 1y21 h ALA 5 Ca -0.49 -0.68 -0.39 0.00 0.00 0.00 0.00 54.91 53.35 1y21 h ALA 5 Cb 1.36 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 1y21 h ALA 5 CO 0.51 0.83 -0.74 -0.65 0.00 0.00 0.00 179.25 179.19 1y21 s GLN 6 N -3.36 1.06 0.04 0.00 -0.21 -1.26 -1.38 119.66 114.56 1y21 s GLN 6 Ca -0.05 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 54.00 1y21 s GLN 6 Cb 0.10 -0.83 -0.03 0.00 1.00 0.00 0.00 33.01 33.25 1y21 s GLN 6 CO 0.85 0.14 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.61 1y21 s LEU 7 N -2.76 2.36 0.11 2.90 1.43 -0.44 -4.98 118.68 117.30 1y21 s LEU 7 Ca 0.13 -0.73 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1y21 s LEU 7 Cb -0.02 0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 1y21 s LEU 7 CO 0.03 -0.40 -0.04 -0.94 0.23 0.00 0.00 176.35 175.22 1y21 s SER 8 N -2.15 4.70 -0.02 2.29 1.04 -1.26 -0.17 113.70 118.14 1y21 s SER 8 Ca -0.04 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1y21 s SER 8 Cb -0.02 -1.00 0.02 0.00 0.10 0.00 0.00 66.02 65.11 1y21 s SER 8 CO -0.04 0.16 -0.00 -0.69 0.98 0.00 0.00 173.24 173.65 1y21 s VAL 9 N -1.35 0.11 -0.08 5.02 1.01 -0.28 -1.57 120.40 123.25 1y21 s VAL 9 Ca 0.24 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1y21 s VAL 9 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1y21 s VAL 9 CO 0.16 0.09 -0.15 -1.00 0.00 0.00 0.00 175.10 174.20 1y21 s HIS 10 N 0.60 2.72 0.09 5.22 3.76 -0.13 -0.78 115.29 126.77 1y21 s HIS 10 Ca -0.06 -0.43 0.08 0.00 -0.15 0.00 0.00 55.06 54.50 1y21 s HIS 10 Cb -0.08 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 1y21 s HIS 10 CO -0.01 -0.03 -0.21 0.95 -0.85 0.00 0.00 174.74 174.59 1y21 s THR 11 N -0.21 1.73 -0.00 1.30 -4.23 -0.01 -0.94 115.64 113.28 1y21 s THR 11 Ca 0.00 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1y21 s THR 11 Cb -0.13 -1.56 -0.00 0.00 1.34 0.00 0.00 72.50 72.15 1y21 s THR 11 CO 0.03 -0.00 -0.05 0.54 -0.54 0.00 0.00 174.62 174.60 1y21 s VAL 12 N -1.09 0.37 0.03 2.29 0.11 -0.09 -0.88 120.40 121.14 1y21 s VAL 12 Ca 0.07 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1y21 s VAL 12 Cb -0.10 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1y21 s VAL 12 CO 0.04 0.09 -0.08 -0.94 -3.33 0.00 0.00 175.10 170.88 1y21 s SER 13 N -0.14 0.86 -0.18 3.54 1.04 -0.73 -0.73 113.70 117.36 1y21 s SER 13 Ca 0.01 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 55.96 1y21 s SER 13 Cb -0.02 0.00 0.09 0.00 0.10 0.00 0.00 66.02 66.19 1y21 s SER 13 CO -0.00 -0.13 0.25 0.86 0.98 0.00 0.00 173.24 175.19 1y21 s TRP 14 N -1.07 -0.37 -1.18 5.02 -0.00 -0.64 -1.30 118.94 119.40 1y21 s TRP 14 Ca -0.07 0.52 -0.20 0.00 -0.00 0.00 0.00 56.10 56.35 1y21 s TRP 14 Cb -0.08 -0.23 0.05 0.00 -0.00 0.00 0.00 33.47 33.22 1y21 s TRP 14 CO 0.00 -0.53 1.64 1.21 -0.00 0.00 0.00 176.95 179.28 1y21 s ASN 15 N 2.37 6.61 0.00 5.86 3.84 -1.26 -1.92 114.94 130.44 1y21 s ASN 15 Ca 0.06 -2.00 0.24 0.00 0.21 0.00 0.00 52.86 51.36 1y21 s ASN 15 Cb -0.14 -2.58 0.26 0.00 -0.55 0.00 0.00 41.25 38.24 1y21 s ASN 15 CO -0.11 -1.40 1.25 -1.54 -2.79 0.00 0.00 177.10 172.51 1y21 n SER 16 N 8.91 1.12 0.00 -4.21 3.41 -0.58 -4.61 113.62 117.66 1y21 n SER 16 Ca 0.43 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1y21 n SER 16 Cb 0.48 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 1y21 n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y21 n GLY 17 N 1.44 1.40 0.14 5.00 0.00 -0.96 -1.38 105.19 110.83 1y21 n GLY 17 Ca 0.08 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.31 1y21 n GLY 17 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y21 n HIS 18 N 0.00 0.00 -1.93 1.61 8.25 -1.26 -2.99 115.22 118.90 1y21 n HIS 18 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1y21 n HIS 18 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 1y21 n HIS 18 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1y21 s GLU 19 N -1.89 2.97 0.08 -0.41 0.41 -0.48 -5.01 118.70 114.37 1y21 s GLU 19 Ca 0.07 1.95 0.01 0.00 -0.41 0.00 0.00 54.97 56.60 1y21 s GLU 19 Cb 0.10 -2.01 -0.04 0.00 -1.78 0.00 0.00 34.13 30.40 1y21 s GLU 19 CO 0.42 -1.24 0.19 1.03 -0.49 0.00 0.00 175.26 175.16 1y21 s ARG 20 N -3.21 3.28 -0.22 1.61 0.52 -1.26 -4.97 118.95 114.69 1y21 s ARG 20 Ca 0.77 -0.55 -0.41 0.00 -0.52 0.00 0.00 55.73 55.02 1y21 s ARG 20 Cb -0.34 -2.93 -0.18 0.00 0.52 0.00 0.00 34.95 32.02 1y21 s ARG 20 CO 0.37 0.58 1.53 0.00 0.02 0.00 0.00 175.30 177.81 1y21 n ALA 21 N 0.16 -1.11 -1.02 2.13 0.00 -1.26 -4.90 120.51 114.51 1y21 n ALA 21 Ca -0.06 0.47 -0.28 0.00 0.00 0.00 0.00 53.44 53.56 1y21 n ALA 21 Cb 0.52 -2.06 0.20 0.00 0.00 0.00 0.00 19.45 18.11 1y21 n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1y21 s PRO 22 N 2.30 -0.06 0.22 0.00 0.04 -1.26 -4.95 135.00 131.29 1y21 s PRO 22 Ca 0.96 0.53 0.08 0.00 0.04 0.00 0.00 61.00 62.62 1y21 s PRO 22 Cb -1.18 -1.68 0.18 0.00 0.04 0.00 0.00 34.50 31.86 1y21 s PRO 22 CO 0.65 -3.07 1.51 0.00 0.04 0.00 0.00 177.00 176.12 1y21 h THR 23 N -2.14 1.51 -2.66 1.26 1.03 -2.05 -3.38 112.91 106.48 1y21 h THR 23 Ca -0.57 -2.47 -0.77 0.00 -0.01 0.00 0.00 66.41 62.59 1y21 h THR 23 Cb 1.34 2.33 -0.22 0.00 -1.07 0.00 0.00 68.15 70.53 1y21 h THR 23 CO 0.56 0.71 1.05 -3.20 -0.01 0.00 0.00 175.52 174.63 1y21 n ASN 24 N -3.69 5.43 0.15 0.00 2.85 -1.26 -4.77 115.26 113.97 1y21 n ASN 24 Ca -0.01 -3.05 0.01 0.00 -0.11 0.00 0.00 54.58 51.42 1y21 n ASN 24 Cb 0.71 -1.47 0.23 0.00 1.24 0.00 0.00 39.78 40.50 1y21 n ASN 24 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1y21 h LEU 25 N 8.03 0.00 -0.73 1.20 3.38 -1.99 -3.15 115.31 122.05 1y21 h LEU 25 Ca 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1y21 h LEU 25 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1y21 h LEU 25 CO 1.21 0.53 0.23 -0.33 0.09 0.00 0.00 178.44 180.17 1y21 h GLU 26 N 0.00 1.14 -0.13 1.13 5.08 -1.97 -1.10 114.58 118.73 1y21 h GLU 26 Ca -0.01 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1y21 h GLU 26 Cb 1.00 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1y21 h GLU 26 CO 0.07 0.97 0.03 1.49 -1.00 0.00 0.00 179.01 180.57 1y21 h GLU 27 N 1.09 0.21 -0.98 2.33 4.81 -1.93 0.26 114.58 120.36 1y21 h GLU 27 Ca 0.24 -0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.58 1y21 h GLU 27 Cb 0.31 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 1y21 h GLU 27 CO -0.01 0.37 0.61 1.25 -0.73 0.00 0.00 179.01 180.50 1y21 h LEU 28 N 0.02 0.78 -1.79 1.64 5.85 -1.44 -2.34 115.31 118.04 1y21 h LEU 28 Ca 0.04 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1y21 h LEU 28 Cb 0.25 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1y21 h LEU 28 CO 0.00 0.34 0.00 0.18 -0.34 0.00 0.00 178.44 178.62 1y21 n LEU 29 N -4.67 2.73 -1.78 2.25 4.77 -0.45 -4.82 117.00 115.03 1y21 n LEU 29 Ca 0.21 -1.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.04 1y21 n LEU 29 Cb 0.51 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1y21 n LEU 29 CO 0.25 0.51 0.05 0.61 -1.33 0.00 0.00 177.39 177.49 1y21 n GLY 30 N 1.34 0.14 0.52 -0.72 0.00 -0.71 -4.93 105.19 100.83 1y21 n GLY 30 Ca 0.17 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1y21 n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y21 n LEU 31 N -2.37 2.10 0.00 0.99 4.77 0.00 -4.60 117.00 117.89 1y21 n LEU 31 Ca -0.03 -1.03 0.12 0.00 -0.03 0.00 0.00 56.01 55.05 1y21 n LEU 31 Cb 0.55 -0.01 0.63 0.00 -2.33 0.00 0.00 43.42 42.26 1y21 n LEU 31 CO 0.27 0.39 0.92 -0.46 -1.33 0.00 0.00 177.39 177.18 1y21 n ASN 32 N 0.73 0.00 -0.86 -1.43 2.04 -1.22 -2.72 115.26 111.79 1y21 n ASN 32 Ca 0.08 -0.06 0.07 0.00 -0.44 0.00 0.00 54.58 54.23 1y21 n ASN 32 Cb 0.33 -0.29 0.21 0.00 -2.53 0.00 0.00 39.78 37.50 1y21 n ASN 32 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1y21 n SER 33 N -1.29 3.35 0.00 0.53 3.41 -1.26 -4.97 113.62 113.39 1y21 n SER 33 Ca 0.12 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1y21 n SER 33 Cb 0.20 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1y21 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y21 n GLY 34 N 0.65 0.75 3.79 5.00 0.00 -1.10 -5.07 105.19 109.21 1y21 n GLY 34 Ca 0.16 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1y21 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y21 s GLU 35 N -0.58 3.98 -0.57 1.61 2.02 -1.26 -5.02 118.70 118.87 1y21 s GLU 35 Ca 0.00 1.42 0.05 0.00 0.02 0.00 0.00 54.97 56.46 1y21 s GLU 35 Cb 0.00 -2.29 0.19 0.00 0.10 0.00 0.00 34.13 32.12 1y21 s GLU 35 CO 0.00 -0.29 0.48 0.25 0.02 0.00 0.00 175.26 175.73 1y21 n THR 36 N -0.56 0.59 -1.86 3.63 -2.24 -1.26 -4.71 114.28 107.87 1y21 n THR 36 Ca 0.07 -4.37 -0.34 0.00 -2.27 0.00 0.00 64.05 57.15 1y21 n THR 36 Cb 0.51 -1.98 0.04 0.00 -2.10 0.00 0.00 70.33 66.80 1y21 n THR 36 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1y21 s PRO 37 N -1.08 2.85 0.22 -0.78 0.04 -1.26 -4.93 135.00 130.06 1y21 s PRO 37 Ca 0.30 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1y21 s PRO 37 Cb 0.03 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.83 1y21 s PRO 37 CO -0.15 -1.24 1.54 -0.44 0.04 0.00 0.00 177.00 176.75 1y21 h ASP 38 N 0.36 0.41 -4.26 6.66 3.32 -1.67 -3.44 116.42 117.80 1y21 h ASP 38 Ca -0.48 -0.23 -0.29 0.00 0.02 0.00 0.00 57.03 56.05 1y21 h ASP 38 Cb 1.26 -0.12 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 1y21 h ASP 38 CO 0.54 0.90 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.53 1y21 s VAL 39 N -3.87 0.40 -0.04 -1.35 1.01 -0.75 -1.68 120.40 114.13 1y21 s VAL 39 Ca -0.05 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1y21 s VAL 39 Cb 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 36.11 1y21 s VAL 39 CO 0.81 -0.11 -0.05 -0.63 0.00 0.00 0.00 175.10 175.13 1y21 s ILE 40 N -0.63 0.55 -0.03 2.22 1.01 -0.52 -0.96 121.20 122.84 1y21 s ILE 40 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.50 1y21 s ILE 40 Cb -0.05 -0.56 -0.00 0.00 0.01 0.00 0.00 42.46 41.85 1y21 s ILE 40 CO -0.00 0.22 -0.15 0.00 0.00 0.00 0.00 174.94 175.01 1y21 s ALA 41 N 0.77 1.32 -0.18 9.38 0.00 -0.12 -0.50 121.76 132.44 1y21 s ALA 41 Ca -0.10 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1y21 s ALA 41 Cb -0.13 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1y21 s ALA 41 CO 0.00 0.26 -0.14 0.08 0.00 0.00 0.00 175.76 175.96 1y21 s VAL 42 N -0.04 1.73 -0.07 0.00 1.01 -0.14 -0.91 120.40 121.98 1y21 s VAL 42 Ca -0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1y21 s VAL 42 Cb -0.09 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1y21 s VAL 42 CO 0.01 0.37 -0.15 0.00 0.00 0.00 0.00 175.10 175.32 1y21 s ALA 43 N 1.40 2.58 0.07 5.51 0.00 0.09 -1.07 121.76 130.34 1y21 s ALA 43 Ca 0.02 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.07 1y21 s ALA 43 Cb -0.14 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1y21 s ALA 43 CO -0.10 0.45 -0.14 0.14 0.00 0.00 0.00 175.76 176.11 1y21 s VAL 44 N -0.34 1.10 0.06 0.00 -7.23 -0.07 -1.63 120.40 112.29 1y21 s VAL 44 Ca 0.03 -1.27 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 1y21 s VAL 44 Cb -0.13 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 1y21 s VAL 44 CO 0.02 -0.21 -0.21 -1.58 -0.31 0.00 0.00 175.10 172.82 1y21 s GLN 45 N -1.67 1.33 0.00 4.82 0.74 -0.81 -1.32 119.66 122.75 1y21 s GLN 45 Ca -0.02 -1.02 0.00 0.00 0.05 0.00 0.00 55.36 54.38 1y21 s GLN 45 Cb -0.10 -1.50 0.00 0.00 1.10 0.00 0.00 33.01 32.51 1y21 s GLN 45 CO 0.02 0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.55 1y21 n GLY 46 N 1.62 1.03 2.80 2.59 0.00 -0.36 -1.53 105.19 111.34 1y21 n GLY 46 Ca -0.18 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1y21 n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y21 s PHE 47 N -0.71 -0.01 -1.27 1.61 0.40 -1.16 -4.33 117.98 112.51 1y21 s PHE 47 Ca 0.00 0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1y21 s PHE 47 Cb 0.00 -0.22 0.00 0.00 0.51 0.00 0.00 43.02 43.31 1y21 s PHE 47 CO 0.00 -0.11 0.14 0.41 0.70 0.00 0.00 175.22 176.36 1y21 n GLY 48 N 4.24 -0.25 0.18 4.36 0.00 -0.68 -4.85 105.19 108.19 1y21 n GLY 48 Ca -0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 1y21 n GLY 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1y21 h PHE 49 N -0.32 0.53 0.31 1.61 0.05 -1.65 -1.96 116.94 115.50 1y21 h PHE 49 Ca -0.37 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.40 1y21 h PHE 49 Cb 1.27 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 39.05 1y21 h PHE 49 CO 0.40 0.38 -0.15 0.37 -0.18 0.00 0.00 178.31 179.14 1y21 h GLN 50 N 0.52 -0.40 -0.15 1.51 4.15 -1.78 -2.07 115.11 116.90 1y21 h GLN 50 Ca 0.14 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1y21 h GLN 50 Cb 0.01 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1y21 h GLN 50 CO -0.03 -0.15 0.08 1.79 -1.93 0.00 0.00 178.83 178.59 1y21 h THR 51 N -0.59 1.05 -6.39 2.39 1.35 -1.90 -3.47 112.91 105.35 1y21 h THR 51 Ca -0.04 -0.14 -0.44 0.00 -0.55 0.00 0.00 66.41 65.24 1y21 h THR 51 Cb 0.43 0.85 0.04 0.00 -1.73 0.00 0.00 68.15 67.74 1y21 h THR 51 CO 0.07 0.06 -0.90 -0.67 -0.25 0.00 0.00 175.52 173.83 1y21 n ASP 52 N -4.49 -5.23 0.05 5.36 4.64 -0.74 -4.95 116.55 111.19 1y21 n ASP 52 Ca -0.01 -0.99 -0.15 0.00 -1.38 0.00 0.00 54.79 52.27 1y21 n ASP 52 Cb 0.10 -2.89 -0.05 0.00 -1.04 0.00 0.00 41.12 37.24 1y21 n ASP 52 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 1y21 h LYS 53 N -1.57 0.50 0.00 -0.67 3.64 -1.87 -2.87 116.57 113.72 1y21 h LYS 53 Ca -0.61 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.26 1y21 h LYS 53 Cb 1.35 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1y21 h LYS 53 CO 0.45 1.15 0.00 -2.30 -2.27 0.00 0.00 179.45 176.48 1y21 n PRO 54 N -3.79 0.34 -3.37 1.90 -0.02 -1.26 -4.93 135.00 123.87 1y21 n PRO 54 Ca -0.07 0.06 -0.20 0.00 -2.02 0.00 0.00 63.50 61.27 1y21 n PRO 54 Cb 0.83 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.87 1y21 n PRO 54 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1y21 n GLN 55 N -1.29 -6.44 0.16 -0.52 6.02 -1.08 -4.91 117.38 109.31 1y21 n GLN 55 Ca 0.11 0.70 0.12 0.00 -0.01 0.00 0.00 57.00 57.92 1y21 n GLN 55 Cb 0.19 -5.31 0.18 0.00 1.02 0.00 0.00 30.24 26.32 1y21 n GLN 55 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1y21 h GLN 56 N -2.17 0.00 -0.10 -1.09 1.08 -1.92 -3.39 115.11 107.53 1y21 h GLN 56 Ca -0.47 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.74 1y21 h GLN 56 Cb 1.31 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.71 1y21 h GLN 56 CO 0.47 0.00 -0.20 0.78 -0.95 0.00 0.00 178.83 178.92 1y21 h GLY 57 N 4.16 -1.49 0.22 3.46 0.00 -1.91 0.40 103.07 107.91 1y21 h GLY 57 Ca 0.00 0.73 0.11 0.00 0.00 0.00 0.00 47.33 48.17 1y21 h GLY 57 CO 0.00 -0.48 0.13 -2.55 0.00 0.00 0.00 176.54 173.64 1y21 h PRO 58 N -0.19 0.26 -0.94 4.80 0.11 -2.01 -2.00 132.00 132.04 1y21 h PRO 58 Ca 0.02 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1y21 h PRO 58 Cb 0.24 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.24 1y21 h PRO 58 CO -0.19 0.17 0.62 0.00 -0.21 0.00 0.00 178.00 178.39 1y21 h ALA 59 N 1.46 1.33 -0.17 -0.75 0.00 -1.69 -2.09 119.26 117.35 1y21 h ALA 59 Ca 0.31 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1y21 h ALA 59 Cb 0.45 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1y21 h ALA 59 CO -0.39 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.38 1y21 h VAL 61 N -0.10 0.91 -0.37 0.00 2.07 -1.18 -0.84 116.25 116.74 1y21 h VAL 61 Ca 0.10 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1y21 h VAL 61 Cb 0.26 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1y21 h VAL 61 CO -0.24 0.06 0.16 0.50 0.02 0.00 0.00 177.57 178.07 1y21 h LYS 62 N -0.32 0.32 -0.17 1.57 3.64 -1.23 0.39 116.57 120.77 1y21 h LYS 62 Ca -0.02 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1y21 h LYS 62 Cb 0.25 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1y21 h LYS 62 CO 0.03 0.21 -0.18 -0.91 -2.27 0.00 0.00 179.45 176.34 1y21 h ASN 63 N 0.33 0.46 -0.29 4.20 -0.26 -1.03 -0.68 115.58 118.31 1y21 h ASN 63 Ca 0.16 -0.48 -0.04 0.00 -0.56 0.00 0.00 56.30 55.37 1y21 h ASN 63 Cb 0.10 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1y21 h ASN 63 CO -0.14 0.85 0.01 -0.26 -1.06 0.00 0.00 177.43 176.83 1y21 h PHE 64 N 0.08 0.55 -0.33 1.19 -1.00 -1.02 -2.91 116.94 113.50 1y21 h PHE 64 Ca 0.03 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1y21 h PHE 64 Cb 0.72 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 1y21 h PHE 64 CO 0.08 0.64 0.09 1.96 -1.61 0.00 0.00 178.31 179.48 1y21 h GLN 65 N 0.31 0.51 -0.37 1.51 1.08 -0.19 -0.83 115.11 117.13 1y21 h GLN 65 Ca 0.08 -0.12 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1y21 h GLN 65 Cb 0.41 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 1y21 h GLN 65 CO 0.01 0.56 0.06 0.77 -0.95 0.00 0.00 178.83 179.28 1y21 h SER 66 N 0.37 -0.02 -0.08 1.46 0.02 -1.18 -0.92 113.55 113.20 1y21 h SER 66 Ca 0.10 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1y21 h SER 66 Cb 0.27 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1y21 h SER 66 CO -0.00 0.03 -0.08 0.25 -1.14 0.00 0.00 176.83 175.89 1y21 h LEU 67 N 0.18 0.21 0.06 5.07 5.85 -1.27 -3.30 115.31 122.11 1y21 h LEU 67 Ca 0.18 -0.48 -0.26 0.00 0.84 0.00 0.00 57.88 58.16 1y21 h LEU 67 Cb 0.22 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1y21 h LEU 67 CO -0.25 0.64 -1.17 -0.07 -0.34 0.00 0.00 178.44 177.26 1y21 h LEU 68 N -0.23 0.37 -0.90 2.25 3.38 -1.07 -3.20 115.31 115.91 1y21 h LEU 68 Ca 0.01 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1y21 h LEU 68 Cb 0.58 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1y21 h LEU 68 CO 0.02 1.28 0.60 0.74 0.09 0.00 0.00 178.44 181.16 1y21 h THR 69 N 0.08 1.22 0.00 0.22 2.02 -1.29 -1.83 112.91 113.33 1y21 h THR 69 Ca -0.11 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1y21 h THR 69 Cb 1.89 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1y21 h THR 69 CO 0.19 0.22 -0.10 0.28 0.37 0.00 0.00 175.52 176.48 1y21 h SER 70 N 1.21 0.00 0.20 4.18 0.02 -1.63 -1.13 113.55 116.40 1y21 h SER 70 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1y21 h SER 70 Cb -0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1y21 h SER 70 CO -0.08 0.10 -0.08 0.29 -1.14 0.00 0.00 176.83 175.93 1y21 n LYS 71 N -4.13 0.99 -0.32 3.45 4.01 -0.81 -4.93 118.16 116.42 1y21 n LYS 71 Ca -0.03 -0.39 0.00 0.00 -0.51 0.00 0.00 58.31 57.39 1y21 n LYS 71 Cb 0.19 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 1y21 n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1y21 n GLY 72 N 1.21 0.82 3.84 0.72 0.00 -0.43 -5.03 105.19 106.33 1y21 n GLY 72 Ca 0.17 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1y21 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y21 s TYR 73 N -2.00 3.60 -0.13 1.61 1.51 -0.75 -1.02 117.35 120.17 1y21 s TYR 73 Ca 0.00 1.10 -0.03 0.00 -1.01 0.00 0.00 57.07 57.13 1y21 s TYR 73 Cb 0.00 -2.40 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 1y21 s TYR 73 CO 0.00 0.41 -0.03 0.99 -1.11 0.00 0.00 175.55 175.80 1y21 s THR 74 N -1.49 3.94 -0.33 -0.71 2.01 0.02 -4.17 115.64 114.91 1y21 s THR 74 Ca 0.39 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 1y21 s THR 74 Cb -0.15 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1y21 s THR 74 CO 0.19 0.53 1.33 -0.75 -0.69 0.00 0.00 174.62 175.23 1y21 s LYS 75 N -0.03 3.83 0.11 4.92 2.20 -1.26 -1.79 119.74 127.72 1y21 s LYS 75 Ca 0.01 1.17 -0.13 0.00 -0.36 0.00 0.00 55.97 56.67 1y21 s LYS 75 Cb -0.13 -3.91 -0.13 0.00 -1.51 0.00 0.00 37.83 32.14 1y21 s LYS 75 CO 0.03 -1.23 1.34 -0.07 -0.36 0.00 0.00 175.35 175.06 1y21 h LEU 76 N 11.18 0.94 -7.00 5.43 3.38 -1.28 -3.47 115.31 124.49 1y21 h LEU 76 Ca -0.26 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.17 1y21 h LEU 76 Cb 1.10 -0.27 -0.26 0.00 0.09 0.00 0.00 40.66 41.32 1y21 h LEU 76 CO 1.05 1.37 0.41 -0.75 0.09 0.00 0.00 178.44 180.61 1y21 s LYS 77 N -3.90 0.54 -0.06 1.13 2.47 -1.18 -5.00 119.74 113.73 1y21 s LYS 77 Ca -0.11 0.65 0.06 0.00 -1.56 0.00 0.00 55.97 55.01 1y21 s LYS 77 Cb 0.09 0.26 -0.01 0.00 -1.46 0.00 0.00 37.83 36.71 1y21 s LYS 77 CO 0.89 -0.07 -0.25 1.21 0.16 0.00 0.00 175.35 177.30 1y21 s ASN 78 N 0.29 3.05 -0.03 1.43 3.84 -1.26 -1.22 114.94 121.04 1y21 s ASN 78 Ca 0.02 -0.51 0.01 0.00 0.21 0.00 0.00 52.86 52.59 1y21 s ASN 78 Cb -0.05 -0.90 0.02 0.00 -0.55 0.00 0.00 41.25 39.77 1y21 s ASN 78 CO -0.06 0.23 -0.03 -0.89 -2.79 0.00 0.00 177.10 173.57 1y21 s THR 79 N -0.10 0.39 -0.03 -5.21 2.01 -0.12 -5.01 115.64 107.57 1y21 s THR 79 Ca -0.05 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1y21 s THR 79 Cb -0.14 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1y21 s THR 79 CO 0.04 0.18 -0.17 0.27 -0.69 0.00 0.00 174.62 174.26 1y21 s ILE 80 N 0.83 1.37 0.00 1.82 -4.36 -1.26 -1.06 121.20 118.53 1y21 s ILE 80 Ca -0.10 -0.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 1y21 s ILE 80 Cb -0.13 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.42 1y21 s ILE 80 CO -0.00 0.39 0.00 0.35 0.24 0.00 0.00 174.94 175.92 1y21 n THR 81 N 2.95 0.00 -0.22 8.37 -2.24 0.60 -4.88 114.28 118.85 1y21 n THR 81 Ca -0.17 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 1y21 n THR 81 Cb 0.53 -0.15 0.10 0.00 -2.10 0.00 0.00 70.33 68.72 1y21 n THR 81 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1y21 h GLU 82 N 0.00 0.60 -0.00 -0.78 5.08 -1.95 -3.16 114.58 114.37 1y21 h GLU 82 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1y21 h GLU 82 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1y21 h GLU 82 CO 0.00 0.40 -0.12 0.25 -1.00 0.00 0.00 179.01 178.54 1y21 n THR 83 N -4.83 0.00 -4.14 1.13 -2.24 -1.26 -1.69 114.28 101.25 1y21 n THR 83 Ca 0.08 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 61.25 1y21 n THR 83 Cb 0.19 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.33 1y21 n THR 83 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1y21 s MET 84 N -1.04 0.74 0.01 -0.78 -1.94 -1.25 -1.22 119.30 113.82 1y21 s MET 84 Ca 0.02 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.12 1y21 s MET 84 Cb 0.03 -0.67 -0.01 0.00 2.01 0.00 0.00 34.83 36.19 1y21 s MET 84 CO 0.12 0.14 -0.09 0.20 -0.01 0.00 0.00 175.02 175.39 1y21 s GLY 85 N -1.72 0.47 -0.10 -0.03 0.00 -0.44 -0.29 107.32 105.21 1y21 s GLY 85 Ca -0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 1y21 s GLY 85 CO 0.02 -0.46 0.22 -2.27 0.00 0.00 0.00 173.10 170.60 1y21 s LEU 86 N -0.61 0.13 -0.05 0.66 2.96 -0.23 -0.90 118.68 120.65 1y21 s LEU 86 Ca 0.00 0.47 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1y21 s LEU 86 Cb -0.05 0.57 -0.00 0.00 0.50 0.00 0.00 46.19 47.21 1y21 s LEU 86 CO 0.00 -0.20 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.75 1y21 s THR 87 N 1.82 1.56 -0.06 3.68 2.01 -0.23 -0.95 115.64 123.47 1y21 s THR 87 Ca -0.03 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1y21 s THR 87 Cb -0.11 -1.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.06 1y21 s THR 87 CO -0.08 0.45 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.42 1y21 s VAL 88 N 0.06 1.61 0.10 3.82 1.01 -0.35 -0.96 120.40 125.68 1y21 s VAL 88 Ca -0.05 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.24 1y21 s VAL 88 Cb -0.13 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1y21 s VAL 88 CO 0.03 0.46 -0.26 -0.31 0.00 0.00 0.00 175.10 175.02 1y21 s TYR 89 N 0.21 2.34 -0.04 5.22 1.51 0.34 -0.72 117.35 126.22 1y21 s TYR 89 Ca -0.10 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1y21 s TYR 89 Cb -0.14 -1.31 0.01 0.00 -0.11 0.00 0.00 41.96 40.41 1y21 s TYR 89 CO 0.04 0.27 0.10 0.00 -1.11 0.00 0.00 175.55 174.85 1y21 n LEU 91 N 3.21 2.71 -0.31 0.00 4.77 -0.67 -0.80 117.00 125.90 1y21 n LEU 91 Ca -0.15 1.05 0.26 0.00 -0.03 0.00 0.00 56.01 57.14 1y21 n LEU 91 Cb 0.58 -1.24 0.58 0.00 -2.33 0.00 0.00 43.42 41.01 1y21 n LEU 91 CO 0.22 -0.36 1.25 -0.08 -1.33 0.00 0.00 177.39 177.09 1y21 h GLU 92 N 7.51 0.26 0.00 3.23 4.22 -1.38 -1.96 114.58 126.45 1y21 h GLU 92 Ca -0.47 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 58.95 1y21 h GLU 92 Cb 1.30 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1y21 h GLU 92 CO 0.93 0.17 -0.02 1.57 -2.18 0.00 0.00 179.01 179.48 1y21 h LYS 93 N 0.27 0.00 0.00 1.92 2.10 -1.90 -1.85 116.57 117.11 1y21 h LYS 93 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 1y21 h LYS 93 Cb 1.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.02 1y21 h LYS 93 CO -0.20 0.02 -0.22 0.45 -2.00 0.00 0.00 179.45 177.50 1y21 h HIS 94 N 0.00 0.00 -3.71 0.07 3.86 -1.73 -3.47 115.15 110.17 1y21 h HIS 94 Ca -0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 1y21 h HIS 94 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1y21 h HIS 94 CO 0.00 0.00 0.33 -0.51 0.86 0.00 0.00 177.93 178.61 1y21 s LEU 95 N -4.49 4.63 -0.16 2.43 1.43 -0.70 -4.57 118.68 117.25 1y21 s LEU 95 Ca 0.09 1.90 -0.02 0.00 -1.03 0.00 0.00 54.13 55.08 1y21 s LEU 95 Cb 0.12 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.81 1y21 s LEU 95 CO 0.64 0.14 -0.00 -0.62 0.23 0.00 0.00 176.35 176.74 1y21 s ASP 96 N -1.04 2.62 0.31 2.29 -1.08 -1.26 -5.04 116.67 113.46 1y21 s ASP 96 Ca 0.41 -0.62 0.04 0.00 -0.52 0.00 0.00 52.55 51.87 1y21 s ASP 96 Cb -0.25 -0.68 0.66 0.00 -1.46 0.00 0.00 42.92 41.18 1y21 s ASP 96 CO 0.31 -0.24 1.84 1.56 0.52 0.00 0.00 175.17 179.16 1y21 h GLN 97 N 8.21 0.85 -0.16 4.34 7.50 -1.97 -1.24 115.11 132.64 1y21 h GLN 97 Ca -0.20 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 58.90 1y21 h GLN 97 Cb 1.12 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.45 1y21 h GLN 97 CO 0.34 0.56 0.08 -0.91 -1.50 0.00 0.00 178.83 177.40 1y21 h ASN 98 N 0.88 0.19 -0.00 1.46 2.35 -2.01 -3.23 115.58 115.22 1y21 h ASN 98 Ca 0.50 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 1y21 h ASN 98 Cb 0.62 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1y21 h ASN 98 CO -0.27 0.17 -0.21 0.35 -1.65 0.00 0.00 177.43 175.82 1y21 n THR 99 N -4.48 0.00 -0.23 2.81 -2.24 -0.80 -4.78 114.28 104.55 1y21 n THR 99 Ca -0.01 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 1y21 n THR 99 Cb 0.10 1.01 0.10 0.00 -2.10 0.00 0.00 70.33 69.44 1y21 n THR 99 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1y21 h LEU 100 N 0.14 0.57 -1.75 3.22 5.85 -1.27 -3.41 115.31 118.67 1y21 h LEU 100 Ca 0.00 0.03 -0.48 0.00 0.84 0.00 0.00 57.88 58.27 1y21 h LEU 100 Cb 0.14 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1y21 h LEU 100 CO 0.00 0.37 -0.86 0.29 -0.34 0.00 0.00 178.44 177.91 1y21 n LYS 101 N -4.77 -3.97 -2.00 1.25 5.02 -1.26 0.09 118.16 112.51 1y21 n LYS 101 Ca 0.08 0.49 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 1y21 n LYS 101 Cb 0.16 -4.84 -0.03 0.00 -0.02 0.00 0.00 35.03 30.30 1y21 n LYS 101 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1y21 s ASN 102 N -4.23 6.61 -0.01 4.39 2.47 -1.26 -4.51 114.94 118.40 1y21 s ASN 102 Ca 0.10 2.19 -0.04 0.00 0.42 0.00 0.00 52.86 55.53 1y21 s ASN 102 Cb -0.05 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.22 1y21 s ASN 102 CO 0.86 -0.98 0.07 -1.61 -3.72 0.00 0.00 177.10 171.72 1y21 s GLU 103 N 4.15 0.29 -0.00 0.43 0.41 -0.54 -5.02 118.70 118.42 1y21 s GLU 103 Ca 0.74 -0.26 0.01 0.00 -0.41 0.00 0.00 54.97 55.06 1y21 s GLU 103 Cb -0.33 0.12 -0.00 0.00 -1.78 0.00 0.00 34.13 32.14 1y21 s GLU 103 CO 0.30 -0.06 -0.05 0.99 -0.49 0.00 0.00 175.26 175.96 1y21 s THR 104 N -0.85 0.36 0.12 3.63 2.01 -1.26 -0.51 115.64 119.14 1y21 s THR 104 Ca -0.09 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.79 1y21 s THR 104 Cb -0.06 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1y21 s THR 104 CO 0.00 0.10 -0.19 0.27 -0.69 0.00 0.00 174.62 174.11 1y21 s ILE 105 N -0.10 1.67 -0.06 1.82 -4.36 -0.15 -4.98 121.20 115.04 1y21 s ILE 105 Ca 0.02 -1.62 0.06 0.00 -0.26 0.00 0.00 60.65 58.85 1y21 s ILE 105 Cb -0.02 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 42.10 1y21 s ILE 105 CO -0.00 -0.15 -0.25 -0.63 0.24 0.00 0.00 174.94 174.15 1y21 s ILE 106 N -1.43 2.04 -0.17 8.37 1.01 -1.26 -1.25 121.20 128.51 1y21 s ILE 106 Ca 0.08 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1y21 s ILE 106 Cb -0.09 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.67 1y21 s ILE 106 CO 0.05 0.57 -0.17 -0.69 0.00 0.00 0.00 174.94 174.69 1y21 s VAL 107 N -0.18 2.41 -0.14 2.92 1.01 0.01 -5.00 120.40 121.42 1y21 s VAL 107 Ca -0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1y21 s VAL 107 Cb -0.13 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1y21 s VAL 107 CO 0.03 0.52 -0.11 -0.89 0.00 0.00 0.00 175.10 174.65 1y21 s THR 108 N 1.03 3.18 -0.04 3.92 2.01 -1.26 -1.27 115.64 123.21 1y21 s THR 108 Ca -0.01 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.42 1y21 s THR 108 Cb -0.15 -2.35 -0.07 0.00 0.01 0.00 0.00 72.50 69.94 1y21 s THR 108 CO -0.05 0.52 0.12 1.33 -0.69 0.00 0.00 174.62 175.85 1y21 n VAL 109 N 3.56 0.00 -3.92 3.82 0.24 -0.98 -4.97 118.33 116.08 1y21 n VAL 109 Ca -0.18 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.34 61.71 1y21 n VAL 109 Cb 0.53 0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 33.36 1y21 n VAL 109 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1y21 s ASP 110 N -2.40 4.63 0.07 -1.34 3.84 -1.26 -5.03 116.67 115.19 1y21 s ASP 110 Ca -0.01 -1.19 0.25 0.00 -0.00 0.00 0.00 52.55 51.60 1y21 s ASP 110 Cb 0.03 0.22 0.60 0.00 -1.38 0.00 0.00 42.92 42.39 1y21 s ASP 110 CO 0.21 -0.98 1.51 -0.90 -0.00 0.00 0.00 175.17 175.00 1y21 n ASP 111 N -1.66 0.54 -0.39 2.11 5.68 -1.26 -3.56 116.55 118.02 1y21 n ASP 111 Ca -0.02 0.13 0.10 0.00 -0.50 0.00 0.00 54.79 54.50 1y21 n ASP 111 Cb 0.64 -0.04 0.41 0.00 -1.14 0.00 0.00 41.12 40.99 1y21 n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y21 n GLN 112 N -1.84 1.51 -2.81 0.11 1.13 -1.26 -4.95 117.38 109.26 1y21 n GLN 112 Ca 0.05 -0.76 -0.13 0.00 -1.94 0.00 0.00 57.00 54.21 1y21 n GLN 112 Cb 0.39 -1.35 -0.01 0.00 0.11 0.00 0.00 30.24 29.38 1y21 n GLN 112 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1y21 n LYS 113 N -0.01 -2.69 -0.09 -1.09 5.02 -1.23 -4.88 118.16 113.19 1y21 n LYS 113 Ca 0.15 0.39 -0.13 0.00 -2.02 0.00 0.00 58.31 56.70 1y21 n LYS 113 Cb 0.24 -4.99 -0.14 0.00 -0.02 0.00 0.00 35.03 30.12 1y21 n LYS 113 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1y21 n LYS 114 N -3.04 0.68 -4.16 1.97 5.02 -1.26 -4.55 118.16 112.81 1y21 n LYS 114 Ca -0.06 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 1y21 n LYS 114 Cb 0.56 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 1y21 n LYS 114 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1y21 s SER 115 N -5.98 4.93 0.00 4.39 0.01 -1.26 -4.68 113.70 111.11 1y21 s SER 115 Ca -0.17 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1y21 s SER 115 Cb 0.07 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1y21 s SER 115 CO 0.76 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1y21 n GLY 116 N -1.07 0.37 3.92 3.44 0.00 -0.40 -2.33 105.19 109.13 1y21 n GLY 116 Ca -0.06 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1y21 n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y21 s GLY 117 N 0.00 0.07 -0.01 -0.02 0.00 -0.39 -0.97 107.32 105.99 1y21 s GLY 117 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1y21 s GLY 117 CO 0.00 3.52 -0.04 -0.42 0.00 0.00 0.00 173.10 176.17 1y21 s ILE 118 N -2.07 0.34 -0.10 0.90 1.01 -0.28 -0.81 121.20 120.19 1y21 s ILE 118 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1y21 s ILE 118 Cb -0.02 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.14 1y21 s ILE 118 CO 0.04 0.12 -0.13 -0.69 0.00 0.00 0.00 174.94 174.28 1y21 s VAL 119 N 0.24 1.29 -0.12 2.92 1.01 -0.38 -1.64 120.40 123.73 1y21 s VAL 119 Ca -0.02 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1y21 s VAL 119 Cb -0.06 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 1y21 s VAL 119 CO -0.00 0.40 -0.21 -0.89 0.00 0.00 0.00 175.10 174.40 1y21 s THR 120 N 1.04 2.32 0.05 3.92 2.01 -0.38 -0.98 115.64 123.62 1y21 s THR 120 Ca -0.06 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1y21 s THR 120 Cb -0.15 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 1y21 s THR 120 CO -0.01 0.55 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.92 1y21 s SER 121 N 0.47 1.16 0.16 3.53 0.01 0.34 -0.69 113.70 118.68 1y21 s SER 121 Ca -0.14 -0.52 -0.19 0.00 1.31 0.00 0.00 55.95 56.41 1y21 s SER 121 Cb -0.17 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.09 1y21 s SER 121 CO 0.06 -0.12 0.51 0.72 0.41 0.00 0.00 173.24 174.82 1y21 s PHE 122 N -1.17 -0.28 -0.08 2.43 -0.12 -0.51 -1.47 117.98 116.78 1y21 s PHE 122 Ca -0.05 -0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.84 1y21 s PHE 122 Cb -0.09 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 1y21 s PHE 122 CO 0.01 -0.84 -0.19 0.99 -0.05 0.00 0.00 175.22 175.15 1y21 s THR 123 N -3.81 2.61 -0.01 -4.49 2.01 0.11 -0.83 115.64 111.23 1y21 s THR 123 Ca 0.05 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1y21 s THR 123 Cb -0.00 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1y21 s THR 123 CO -0.09 0.56 -0.02 0.27 -0.69 0.00 0.00 174.62 174.66 1y21 s ILE 124 N -0.10 0.16 -1.37 1.82 -4.36 -0.39 -4.16 121.20 112.80 1y21 s ILE 124 Ca -0.04 -0.06 -0.06 0.00 -0.26 0.00 0.00 60.65 60.23 1y21 s ILE 124 Cb -0.14 -0.16 0.04 0.00 1.25 0.00 0.00 42.46 43.45 1y21 s ILE 124 CO 0.04 0.06 0.47 -1.22 0.24 0.00 0.00 174.94 174.53 1y21 n TYR 125 N 3.22 -1.80 -2.65 1.37 4.02 -1.26 -0.87 117.16 119.19 1y21 n TYR 125 Ca -0.15 0.43 -0.21 0.00 -0.01 0.00 0.00 57.90 57.96 1y21 n TYR 125 Cb 0.58 -3.50 0.01 0.00 -0.02 0.00 0.00 39.34 36.40 1y21 n TYR 125 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1y21 n ASN 126 N -2.31 -5.86 -4.17 7.72 5.15 -1.26 -4.99 115.26 109.54 1y21 n ASN 126 Ca -0.07 -0.11 -0.27 0.00 -0.60 0.00 0.00 54.58 53.53 1y21 n ASN 126 Cb 0.58 -4.82 -0.16 0.00 -0.53 0.00 0.00 39.78 34.85 1y21 n ASN 126 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1y21 s LYS 127 N -5.31 1.80 -0.17 1.20 -0.14 -0.05 -5.10 119.74 111.97 1y21 s LYS 127 Ca 0.12 -0.67 -0.07 0.00 -1.36 0.00 0.00 55.97 53.99 1y21 s LYS 127 Cb -0.05 -1.61 -0.04 0.00 -1.68 0.00 0.00 37.83 34.45 1y21 s LYS 127 CO 0.15 0.31 0.08 0.50 -0.76 0.00 0.00 175.35 175.63 1y21 s ARG 128 N -0.14 3.88 -0.01 1.68 3.52 -1.26 -1.26 118.95 125.36 1y21 s ARG 128 Ca -0.00 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 1y21 s ARG 128 Cb -0.10 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1y21 s ARG 128 CO 0.01 0.37 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.80 1y21 s PHE 129 N 0.10 3.04 -0.02 5.12 0.40 -0.01 -0.90 117.98 125.71 1y21 s PHE 129 Ca 0.06 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.47 1y21 s PHE 129 Cb -0.12 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.75 1y21 s PHE 129 CO 0.00 0.44 -0.05 -1.12 0.70 0.00 0.00 175.22 175.19 1y21 s SER 130 N -1.45 0.78 -0.12 1.36 0.01 0.21 -1.43 113.70 113.07 1y21 s SER 130 Ca 0.18 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.36 1y21 s SER 130 Cb -0.11 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.89 1y21 s SER 130 CO 0.09 0.01 -0.21 -0.36 0.41 0.00 0.00 173.24 173.18 1y21 s PHE 131 N 0.34 2.46 0.01 2.43 0.40 0.13 -1.13 117.98 122.62 1y21 s PHE 131 Ca -0.04 -1.16 0.09 0.00 -0.60 0.00 0.00 56.93 55.21 1y21 s PHE 131 Cb -0.08 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1y21 s PHE 131 CO -0.00 -0.53 -0.26 0.99 0.70 0.00 0.00 175.22 176.12 1y21 s THR 132 N 0.73 2.10 0.16 0.64 2.01 -0.07 -1.25 115.64 119.95 1y21 s THR 132 Ca -0.10 -1.23 0.06 0.00 0.31 0.00 0.00 61.69 60.73 1y21 s THR 132 Cb -0.16 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1y21 s THR 132 CO 0.01 0.49 -0.14 0.28 -0.69 0.00 0.00 174.62 174.57 1y21 s THR 133 N -0.70 1.48 0.20 -0.82 -1.32 -0.65 -0.67 115.64 113.16 1y21 s THR 133 Ca 0.11 -1.95 -0.13 0.00 -1.21 0.00 0.00 61.69 58.51 1y21 s THR 133 Cb -0.10 -1.77 0.01 0.00 -1.51 0.00 0.00 72.50 69.12 1y21 s THR 133 CO 0.00 -0.52 0.42 -0.94 -2.21 0.00 0.00 174.62 171.37 1y21 s SER 134 N -2.86 -0.10 -0.18 8.08 1.04 -1.26 -1.12 113.70 117.30 1y21 s SER 134 Ca 0.15 -0.74 -0.13 0.00 0.48 0.00 0.00 55.95 55.71 1y21 s SER 134 Cb -0.02 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1y21 s SER 134 CO 0.04 -1.01 0.46 -0.60 0.98 0.00 0.00 173.24 173.11 1y21 s ARG 135 N -3.95 0.48 0.00 4.02 3.00 -0.15 -4.31 118.95 118.05 1y21 s ARG 135 Ca 0.16 0.77 0.00 0.00 -1.00 0.00 0.00 55.73 55.65 1y21 s ARG 135 Cb 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 34.95 35.07 1y21 s ARG 135 CO 0.01 -0.12 -0.01 1.41 0.00 0.00 0.00 175.30 176.59 1y21 s MET 136 N 0.94 0.09 0.29 5.12 1.75 -1.26 -1.27 119.30 124.96 1y21 s MET 136 Ca -0.06 -0.06 -0.06 0.00 -1.25 0.00 0.00 55.69 54.27 1y21 s MET 136 Cb -0.06 -0.07 -0.05 0.00 2.84 0.00 0.00 34.83 37.48 1y21 s MET 136 CO -0.08 0.02 0.56 -1.54 -0.65 0.00 0.00 175.02 173.33 1y21 s SER 137 N -0.09 6.46 0.41 1.11 1.04 -1.26 -4.82 113.70 116.55 1y21 s SER 137 Ca -0.00 0.75 0.20 0.00 0.48 0.00 0.00 55.95 57.38 1y21 s SER 137 Cb -0.01 -2.16 1.15 0.00 0.10 0.00 0.00 66.02 65.10 1y21 s SER 137 CO -0.00 -0.19 1.75 0.44 0.98 0.00 0.00 173.24 176.22 1y21 h ASP 138 N 1.75 0.41 0.58 7.02 5.19 -1.98 -2.91 116.42 126.48 1y21 h ASP 138 Ca -0.48 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1y21 h ASP 138 Cb 1.19 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1y21 h ASP 138 CO 0.66 0.05 -0.63 -0.62 -3.12 0.00 0.00 179.24 175.58 1y21 n GLU 139 N -4.63 0.13 -2.50 3.56 1.02 -1.26 -4.80 120.64 112.16 1y21 n GLU 139 Ca 0.27 0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 57.09 1y21 n GLU 139 Cb 0.95 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.77 1y21 n GLU 139 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1y21 s ASP 140 N -3.50 6.26 0.21 1.62 -0.00 -1.10 -5.02 116.67 115.14 1y21 s ASP 140 Ca 0.08 1.97 -0.30 0.00 -0.00 0.00 0.00 52.55 54.31 1y21 s ASP 140 Cb 0.16 -2.56 -0.08 0.00 -0.00 0.00 0.00 42.92 40.43 1y21 s ASP 140 CO 0.73 -0.84 1.07 -0.69 -0.00 0.00 0.00 175.17 175.44 1y21 s VAL 141 N -1.94 3.81 0.20 -1.27 1.01 -1.26 -4.87 120.40 116.08 1y21 s VAL 141 Ca 0.68 1.66 0.01 0.00 0.00 0.00 0.00 61.98 64.32 1y21 s VAL 141 Cb -0.18 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1y21 s VAL 141 CO 0.21 0.33 0.07 0.42 0.00 0.00 0.00 175.10 176.13 1y21 s THR 142 N -0.60 0.42 0.34 3.92 -4.23 -1.26 -4.97 115.64 109.26 1y21 s THR 142 Ca 0.47 -1.98 0.33 0.00 -1.18 0.00 0.00 61.69 59.32 1y21 s THR 142 Cb -0.29 -2.36 0.35 0.00 1.34 0.00 0.00 72.50 71.54 1y21 s THR 142 CO 0.36 -0.22 2.08 0.77 -0.54 0.00 0.00 174.62 177.07 1y21 h SER 143 N 2.60 0.00 0.09 3.99 4.64 -1.91 -2.94 113.55 120.02 1y21 h SER 143 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1y21 h SER 143 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1y21 h SER 143 CO 0.60 0.07 -0.94 0.35 -0.87 0.00 0.00 176.83 176.03 1y21 n THR 144 N -3.33 0.00 -1.93 2.95 -2.24 -1.26 -4.95 114.28 103.52 1y21 n THR 144 Ca -0.01 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1y21 n THR 144 Cb 0.24 0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1y21 n THR 144 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1y21 n ASN 145 N -1.53 -5.27 -4.68 3.42 4.05 -1.11 -5.00 115.26 105.14 1y21 n ASN 145 Ca 0.04 0.28 -0.28 0.00 0.45 0.00 0.00 54.58 55.06 1y21 n ASN 145 Cb 0.34 -4.56 -0.09 0.00 1.23 0.00 0.00 39.78 36.69 1y21 n ASN 145 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1y21 s THR 146 N -2.78 1.86 -1.82 -0.44 -4.23 -1.26 -5.00 115.64 101.98 1y21 s THR 146 Ca 0.00 -1.94 0.29 0.00 -1.18 0.00 0.00 61.69 58.86 1y21 s THR 146 Cb 0.00 -2.80 0.56 0.00 1.34 0.00 0.00 72.50 71.60 1y21 s THR 146 CO 0.00 0.00 1.93 2.29 -0.54 0.00 0.00 174.62 178.30 1y21 n LYS 147 N -1.09 0.86 -2.55 3.99 2.85 -1.26 -4.69 118.16 116.27 1y21 n LYS 147 Ca -0.07 -0.27 -0.37 0.00 -1.05 0.00 0.00 58.31 56.54 1y21 n LYS 147 Cb 0.67 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.51 1y21 n LYS 147 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1y21 s TYR 148 N -2.32 3.35 -1.01 5.58 1.51 -1.26 -4.74 117.35 118.45 1y21 s TYR 148 Ca 0.34 1.66 -0.06 0.00 -1.01 0.00 0.00 57.07 58.00 1y21 s TYR 148 Cb 0.21 -3.14 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 1y21 s TYR 148 CO 0.43 -0.56 2.81 0.00 -1.11 0.00 0.00 175.55 177.13 1y21 n ALA 149 N 0.18 6.87 -2.69 3.71 0.00 -0.21 -4.82 120.51 123.55 1y21 n ALA 149 Ca 0.04 -3.37 -0.33 0.00 0.00 0.00 0.00 53.44 49.77 1y21 n ALA 149 Cb 0.49 -2.72 -0.13 0.00 0.00 0.00 0.00 19.45 17.08 1y21 n ALA 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1y21 s TYR 150 N -0.11 2.75 -0.06 0.00 5.04 -1.26 -4.70 117.35 119.00 1y21 s TYR 150 Ca 0.61 -0.31 -0.05 0.00 -2.44 0.00 0.00 57.07 54.88 1y21 s TYR 150 Cb 0.25 -1.71 0.02 0.00 0.35 0.00 0.00 41.96 40.87 1y21 s TYR 150 CO -0.10 0.06 0.16 0.34 -1.34 0.00 0.00 175.55 174.67 1y21 s ASP 151 N -0.36 -0.16 0.57 4.32 -1.08 -1.26 -4.80 116.67 113.90 1y21 s ASP 151 Ca 0.04 0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.65 1y21 s ASP 151 Cb -0.12 0.31 1.67 0.00 -1.46 0.00 0.00 42.92 43.31 1y21 s ASP 151 CO 0.02 -0.07 2.21 0.71 0.52 0.00 0.00 175.17 178.57 1y21 h THR 152 N 5.08 0.63 0.00 1.71 1.35 -2.00 -0.87 112.91 118.82 1y21 h THR 152 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1y21 h THR 152 Cb 1.19 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1y21 h THR 152 CO 0.41 0.00 0.00 0.03 -0.25 0.00 0.00 175.52 175.71 1y21 h ARG 153 N 0.00 0.00 -0.12 4.72 3.08 -2.05 -2.03 114.38 117.98 1y21 h ARG 153 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1y21 h ARG 153 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1y21 h ARG 153 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1y21 n LEU 154 N -2.88 3.07 -4.20 3.04 4.77 -0.33 -4.84 117.00 115.62 1y21 n LEU 154 Ca -0.01 -1.13 -0.38 0.00 -0.03 0.00 0.00 56.01 54.46 1y21 n LEU 154 Cb 0.18 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1y21 n LEU 154 CO 0.22 0.56 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.07 1y21 s ASP 155 N -1.81 5.43 0.00 -1.43 -1.08 -0.77 -4.86 116.67 112.15 1y21 s ASP 155 Ca 0.30 -1.70 0.14 0.00 -0.52 0.00 0.00 52.55 50.77 1y21 s ASP 155 Cb 0.20 -1.90 0.41 0.00 -1.46 0.00 0.00 42.92 40.17 1y21 s ASP 155 CO 0.30 -0.52 1.33 -1.22 0.52 0.00 0.00 175.17 175.57 1y21 n TYR 156 N 4.77 0.47 0.63 -5.34 4.02 -1.26 -2.80 117.16 117.66 1y21 n TYR 156 Ca -0.08 -0.24 0.13 0.00 -0.01 0.00 0.00 57.90 57.70 1y21 n TYR 156 Cb 0.42 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.07 1y21 n TYR 156 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1y21 n SER 157 N 0.61 0.74 -0.02 7.72 3.41 -1.26 -2.16 113.62 122.66 1y21 n SER 157 Ca 0.14 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1y21 n SER 157 Cb 0.33 -0.44 0.20 0.00 -0.26 0.00 0.00 64.21 64.05 1y21 n SER 157 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1y21 n LYS 158 N -2.16 0.08 -1.69 4.33 5.02 -1.12 -4.84 118.16 117.77 1y21 n LYS 158 Ca 0.05 -0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1y21 n LYS 158 Cb 0.43 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.98 1y21 n LYS 158 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1y21 s LYS 159 N -2.96 2.93 0.35 1.97 1.02 -1.26 -4.94 119.74 116.85 1y21 s LYS 159 Ca 0.12 1.12 0.27 0.00 0.02 0.00 0.00 55.97 57.49 1y21 s LYS 159 Cb 0.17 -1.98 1.13 0.00 -0.52 0.00 0.00 37.83 36.63 1y21 s LYS 159 CO 0.71 -1.11 1.80 -0.44 -0.92 0.00 0.00 175.35 175.39 1y21 h ASP 160 N -0.33 0.00 -2.14 2.83 3.45 -1.94 -3.18 116.42 115.12 1y21 h ASP 160 Ca -0.45 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.42 1y21 h ASP 160 Cb 1.22 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 39.58 1y21 h ASP 160 CO 0.56 0.00 -0.74 -0.90 -1.57 0.00 0.00 179.24 176.59 1y21 n ASP 161 N -2.48 2.75 -4.82 6.45 5.75 -1.26 -5.11 116.55 117.83 1y21 n ASP 161 Ca 0.01 -3.23 -0.32 0.00 -0.01 0.00 0.00 54.79 51.24 1y21 n ASP 161 Cb 0.23 -0.66 0.03 0.00 -1.03 0.00 0.00 41.12 39.69 1y21 n ASP 161 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1y21 s PRO 162 N -2.13 3.17 0.60 0.11 0.04 -1.20 -5.01 135.00 130.57 1y21 s PRO 162 Ca 0.39 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 1y21 s PRO 162 Cb 0.16 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1y21 s PRO 162 CO -0.04 -0.92 1.03 -1.12 0.04 0.00 0.00 177.00 175.99 1y21 s SER 163 N -3.40 6.11 0.05 6.66 0.01 -0.92 -4.83 113.70 117.39 1y21 s SER 163 Ca 0.60 1.58 -0.15 0.00 1.31 0.00 0.00 55.95 59.29 1y21 s SER 163 Cb -0.14 -2.50 -0.27 0.00 0.21 0.00 0.00 66.02 63.32 1y21 s SER 163 CO 0.47 -0.94 1.12 0.44 0.41 0.00 0.00 173.24 174.74 1y21 h ASP 164 N 0.14 0.87 -3.29 2.44 5.19 -1.37 -0.88 116.42 119.52 1y21 h ASP 164 Ca -0.45 -0.80 -0.44 0.00 -0.62 0.00 0.00 57.03 54.72 1y21 h ASP 164 Cb 1.20 -0.27 -0.37 0.00 0.18 0.00 0.00 39.33 40.07 1y21 h ASP 164 CO 0.60 1.56 -0.77 -0.36 -3.12 0.00 0.00 179.24 177.15 1y21 s PHE 165 N -3.09 0.79 0.00 4.55 0.40 -0.50 -3.71 117.98 116.43 1y21 s PHE 165 Ca -0.10 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1y21 s PHE 165 Cb 0.06 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 1y21 s PHE 165 CO 0.92 -0.32 -0.10 -0.51 0.70 0.00 0.00 175.22 175.90 1y21 s LEU 166 N 1.72 2.05 0.00 -0.37 1.02 0.12 -0.62 118.68 122.60 1y21 s LEU 166 Ca 0.02 -0.24 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1y21 s LEU 166 Cb -0.13 -0.51 -0.01 0.00 0.02 0.00 0.00 46.19 45.56 1y21 s LEU 166 CO -0.05 0.09 -0.07 -0.36 0.02 0.00 0.00 176.35 175.99 1y21 s PHE 167 N -0.38 0.64 -0.16 0.29 0.40 -0.28 -1.75 117.98 116.73 1y21 s PHE 167 Ca 0.03 -0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1y21 s PHE 167 Cb -0.05 -0.41 0.04 0.00 0.51 0.00 0.00 43.02 43.12 1y21 s PHE 167 CO -0.00 -0.02 -0.07 -0.46 0.70 0.00 0.00 175.22 175.37 1y21 s TRP 168 N -0.32 1.84 -0.02 0.36 -0.11 -0.22 -0.89 118.94 119.58 1y21 s TRP 168 Ca 0.01 -1.14 0.02 0.00 1.22 0.00 0.00 56.10 56.21 1y21 s TRP 168 Cb -0.04 -1.38 0.00 0.00 -1.50 0.00 0.00 33.47 30.55 1y21 s TRP 168 CO -0.00 -0.63 -0.08 0.96 -4.62 0.00 0.00 176.95 172.58 1y21 s ILE 169 N 1.59 0.70 -5.00 5.86 -4.36 0.16 -0.64 121.20 119.51 1y21 s ILE 169 Ca 0.01 -0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.08 1y21 s ILE 169 Cb -0.15 -0.62 0.00 0.00 1.25 0.00 0.00 42.46 42.94 1y21 s ILE 169 CO -0.08 0.22 0.00 0.61 0.24 0.00 0.00 174.94 175.93 1y21 n GLY 170 N 3.24 0.74 3.55 6.27 0.00 -0.76 -4.22 105.19 114.02 1y21 n GLY 170 Ca -0.17 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 1y21 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y21 s ASP 171 N -4.00 6.42 0.00 1.61 -1.08 -1.23 -0.47 116.67 117.92 1y21 s ASP 171 Ca 0.00 -0.06 0.28 0.00 -0.52 0.00 0.00 52.55 52.25 1y21 s ASP 171 Cb 0.00 -2.38 1.66 0.00 -1.46 0.00 0.00 42.92 40.73 1y21 s ASP 171 CO 0.00 -0.89 2.07 0.18 0.52 0.00 0.00 175.17 177.05 1y21 n LEU 172 N 6.67 0.11 -2.87 -1.34 4.77 -1.26 -4.45 117.00 118.62 1y21 n LEU 172 Ca 0.02 -0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1y21 n LEU 172 Cb 0.48 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1y21 n LEU 172 CO 0.58 0.02 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.39 1y21 n ASN 173 N -0.87 -6.09 -4.69 -1.43 5.15 -1.26 -1.05 115.26 105.02 1y21 n ASN 173 Ca 0.21 -0.22 -0.36 0.00 -0.60 0.00 0.00 54.58 53.61 1y21 n ASN 173 Cb 0.12 -4.96 -0.09 0.00 -0.53 0.00 0.00 39.78 34.32 1y21 n ASN 173 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1y21 s VAL 174 N -3.15 5.38 0.41 3.44 1.01 -1.26 -4.61 120.40 121.62 1y21 s VAL 174 Ca 0.23 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1y21 s VAL 174 Cb -0.10 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1y21 s VAL 174 CO 0.29 0.39 0.05 -0.13 0.00 0.00 0.00 175.10 175.70 1y21 s ARG 175 N 0.73 1.93 -0.32 2.72 1.81 -1.26 -4.63 118.95 119.94 1y21 s ARG 175 Ca 0.08 -2.15 -0.17 0.00 -1.72 0.00 0.00 55.73 51.76 1y21 s ARG 175 Cb -0.12 -1.14 -0.01 0.00 -0.45 0.00 0.00 34.95 33.22 1y21 s ARG 175 CO 0.02 -0.28 0.48 0.08 -0.68 0.00 0.00 175.30 174.92 1y21 s VAL 176 N -3.04 5.06 -1.29 3.52 1.01 -1.26 -1.71 120.40 122.69 1y21 s VAL 176 Ca 0.25 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1y21 s VAL 176 Cb 0.06 -3.89 0.16 0.00 0.00 0.00 0.00 36.38 32.70 1y21 s VAL 176 CO 0.12 -0.10 2.05 1.21 0.00 0.00 0.00 175.10 178.38 1y21 n GLU 177 N 5.62 4.02 -4.03 2.72 2.13 -0.04 -4.87 120.64 126.20 1y21 n GLU 177 Ca -0.05 -3.55 -0.11 0.00 0.66 0.00 0.00 57.16 54.11 1y21 n GLU 177 Cb 0.49 -2.80 -0.05 0.00 0.27 0.00 0.00 31.44 29.36 1y21 n GLU 177 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1y21 s THR 178 N -0.33 0.00 0.68 6.31 -1.32 -1.26 -4.91 115.64 114.81 1y21 s THR 178 Ca 0.44 -1.48 -0.12 0.00 -1.21 0.00 0.00 61.69 59.32 1y21 s THR 178 Cb 0.13 -2.37 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 1y21 s THR 178 CO -0.03 0.00 1.06 0.54 -2.21 0.00 0.00 174.62 173.99 1y21 s ASN 179 N -3.08 5.34 0.38 8.08 2.20 -1.26 -4.91 114.94 121.69 1y21 s ASN 179 Ca 0.25 1.70 0.06 0.00 -0.94 0.00 0.00 52.86 53.93 1y21 s ASN 179 Cb -0.00 -2.51 0.76 0.00 -2.00 0.00 0.00 41.25 37.50 1y21 s ASN 179 CO 0.12 -1.47 2.00 0.00 -2.94 0.00 0.00 177.10 174.81 1y21 h ALA 180 N -0.50 1.59 0.07 3.54 0.00 -1.92 -1.89 119.26 120.16 1y21 h ALA 180 Ca -0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1y21 h ALA 180 Cb 1.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1y21 h ALA 180 CO 0.56 0.34 -0.04 1.15 0.00 0.00 0.00 179.25 181.26 1y21 h THR 181 N 0.58 1.07 -0.16 0.00 2.02 -1.94 0.58 112.91 115.06 1y21 h THR 181 Ca 0.15 -0.49 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 1y21 h THR 181 Cb 0.04 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1y21 h THR 181 CO -0.02 0.12 -0.46 -0.74 0.37 0.00 0.00 175.52 174.79 1y21 h HIS 182 N -0.32 0.49 -0.27 3.16 6.17 -1.91 -1.37 115.15 121.11 1y21 h HIS 182 Ca -0.01 -0.15 -0.03 0.00 0.71 0.00 0.00 60.37 60.89 1y21 h HIS 182 Cb 0.28 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 1y21 h HIS 182 CO -0.00 0.79 0.04 0.00 0.71 0.00 0.00 177.93 179.47 1y21 h ALA 183 N 1.18 0.35 -0.54 5.26 0.00 -1.16 -1.73 119.26 122.62 1y21 h ALA 183 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1y21 h ALA 183 Cb 0.93 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1y21 h ALA 183 CO 0.08 0.04 0.27 -0.22 0.00 0.00 0.00 179.25 179.42 1y21 h LYS 184 N 0.25 0.75 -0.46 0.00 1.63 -0.75 -0.75 116.57 117.25 1y21 h LYS 184 Ca 0.08 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1y21 h LYS 184 Cb 0.33 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1y21 h LYS 184 CO 0.01 0.58 0.18 1.03 -3.45 0.00 0.00 179.45 177.80 1y21 h SER 185 N 0.76 0.64 -0.62 4.20 0.87 -1.07 0.48 113.55 118.81 1y21 h SER 185 Ca 0.19 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1y21 h SER 185 Cb 0.07 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1y21 h SER 185 CO -0.03 0.63 0.03 -0.07 -0.53 0.00 0.00 176.83 176.87 1y21 h LEU 186 N 0.60 1.05 -0.11 2.23 3.38 -0.74 -2.28 115.31 119.43 1y21 h LEU 186 Ca 0.15 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1y21 h LEU 186 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1y21 h LEU 186 CO -0.01 1.08 0.03 0.58 0.09 0.00 0.00 178.44 180.21 1y21 h VAL 187 N 0.99 0.97 -0.11 1.22 2.07 -0.87 -0.82 116.25 119.70 1y21 h VAL 187 Ca 0.18 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1y21 h VAL 187 Cb 0.52 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1y21 h VAL 187 CO 0.02 0.02 0.09 0.44 0.02 0.00 0.00 177.57 178.16 1y21 h ASP 188 N 0.09 0.00 0.07 0.57 3.32 -0.56 -0.31 116.42 119.60 1y21 h ASP 188 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1y21 h ASP 188 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1y21 h ASP 188 CO -0.06 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 177.37 1y21 n GLN 189 N -4.29 1.39 -3.03 3.56 6.02 -0.89 -4.95 117.38 115.19 1y21 n GLN 189 Ca -0.00 -0.82 -0.22 0.00 -0.01 0.00 0.00 57.00 55.95 1y21 n GLN 189 Cb 0.20 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 30.00 1y21 n GLN 189 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1y21 n ASN 190 N -0.09 -5.47 -4.23 1.08 5.15 -0.13 -4.90 115.26 106.67 1y21 n ASN 190 Ca 0.16 -0.27 -0.44 0.00 -0.60 0.00 0.00 54.58 53.43 1y21 n ASN 190 Cb 0.36 -4.45 0.00 0.00 -0.53 0.00 0.00 39.78 35.16 1y21 n ASN 190 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1y21 n ASN 191 N -2.41 5.61 -0.18 1.20 2.85 -0.38 -4.78 115.26 117.16 1y21 n ASN 191 Ca -0.10 -3.12 -0.09 0.00 -0.11 0.00 0.00 54.58 51.16 1y21 n ASN 191 Cb 0.61 -1.41 0.01 0.00 1.24 0.00 0.00 39.78 40.22 1y21 n ASN 191 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1y21 h ILE 192 N 3.84 1.24 -0.28 -1.44 1.08 -1.91 -1.60 117.51 118.44 1y21 h ILE 192 Ca 0.25 -0.84 -0.08 0.00 -0.39 0.00 0.00 64.86 63.80 1y21 h ILE 192 Cb 0.78 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1y21 h ILE 192 CO 1.23 0.31 -0.17 0.44 -0.69 0.00 0.00 178.15 179.27 1y21 h ASP 193 N 0.72 0.48 -0.59 1.72 3.32 -1.87 0.12 116.42 120.31 1y21 h ASP 193 Ca 0.16 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1y21 h ASP 193 Cb 0.32 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1y21 h ASP 193 CO -0.00 0.67 0.21 1.23 -1.72 0.00 0.00 179.24 179.63 1y21 h GLY 194 N 0.96 1.02 1.11 2.75 0.00 -1.81 -1.78 103.07 105.32 1y21 h GLY 194 Ca 0.08 -0.56 -0.25 0.00 0.00 0.00 0.00 47.33 46.59 1y21 h GLY 194 CO 0.04 0.53 -1.01 -2.00 0.00 0.00 0.00 176.54 174.09 1y21 h LEU 195 N 0.92 0.82 -2.67 3.11 5.85 -0.86 -3.10 115.31 119.38 1y21 h LEU 195 Ca 0.21 -0.78 0.01 0.00 0.84 0.00 0.00 57.88 58.16 1y21 h LEU 195 Cb 0.25 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1y21 h LEU 195 CO -0.01 1.50 0.06 0.24 -0.34 0.00 0.00 178.44 179.89 1y21 h MET 196 N 0.24 0.00 0.00 1.25 2.86 -0.62 -0.27 114.93 118.39 1y21 h MET 196 Ca -0.14 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1y21 h MET 196 Cb 1.69 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.35 1y21 h MET 196 CO 0.20 0.00 -0.00 0.00 1.06 0.00 0.00 176.91 178.16 1y21 h ALA 197 N 1.89 1.49 -0.00 6.32 0.00 -1.24 -2.26 119.26 125.46 1y21 h ALA 197 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1y21 h ALA 197 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1y21 h ALA 197 CO -0.00 0.00 -0.66 1.19 0.00 0.00 0.00 179.25 179.78 1y21 n PHE 198 N -3.79 0.00 -2.04 0.00 3.01 -0.11 -4.97 117.46 109.56 1y21 n PHE 198 Ca -0.03 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.03 1y21 n PHE 198 Cb 0.08 -0.09 -0.01 0.00 -0.01 0.00 0.00 39.48 39.45 1y21 n PHE 198 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1y21 s ASP 199 N -2.84 6.51 0.00 4.37 2.15 -0.85 -0.86 116.67 125.14 1y21 s ASP 199 Ca 0.13 2.74 0.29 0.00 0.43 0.00 0.00 52.55 56.14 1y21 s ASP 199 Cb 0.17 -2.65 1.19 0.00 -0.30 0.00 0.00 42.92 41.34 1y21 s ASP 199 CO 0.72 -0.72 1.86 0.00 -0.17 0.00 0.00 175.17 176.86 1y21 n GLN 200 N 0.47 0.37 -0.13 4.34 6.02 -0.69 -3.97 117.38 123.79 1y21 n GLN 200 Ca 0.02 -0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 56.86 1y21 n GLN 200 Cb 0.42 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.22 1y21 n GLN 200 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1y21 h LEU 201 N 0.23 0.16 -1.40 1.08 5.85 -1.92 0.12 115.31 119.42 1y21 h LEU 201 Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1y21 h LEU 201 Cb 0.40 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1y21 h LEU 201 CO 0.00 0.13 -0.05 0.11 -0.34 0.00 0.00 178.44 178.28 1y21 h LYS 202 N 0.32 0.33 -0.49 1.25 1.57 -1.94 -1.03 116.57 116.57 1y21 h LYS 202 Ca 0.20 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1y21 h LYS 202 Cb 0.18 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1y21 h LYS 202 CO -0.20 0.40 -0.19 0.87 -0.57 0.00 0.00 179.45 179.76 1y21 h LYS 203 N 0.32 0.99 -0.60 3.15 1.79 -1.63 -0.81 116.57 119.79 1y21 h LYS 203 Ca 0.07 -0.41 -0.02 0.00 -2.18 0.00 0.00 60.65 58.10 1y21 h LYS 203 Cb 0.30 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1y21 h LYS 203 CO 0.01 1.09 0.28 0.00 -1.08 0.00 0.00 179.45 179.75 1y21 h ALA 204 N 0.87 0.77 -0.46 3.86 0.00 -0.51 -2.18 119.26 121.60 1y21 h ALA 204 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1y21 h ALA 204 Cb 0.77 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1y21 h ALA 204 CO 0.06 0.34 0.01 0.87 0.00 0.00 0.00 179.25 180.53 1y21 h LYS 205 N 0.81 0.75 -0.18 0.00 1.57 -1.00 -1.28 116.57 117.24 1y21 h LYS 205 Ca 0.20 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y21 h LYS 205 Cb 0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1y21 h LYS 205 CO -0.02 0.75 0.07 0.93 -0.57 0.00 0.00 179.45 180.60 1y21 h GLU 206 N 0.70 0.25 -0.55 3.15 5.08 -0.75 -0.73 114.58 121.74 1y21 h GLU 206 Ca 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1y21 h GLU 206 Cb 0.41 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1y21 h GLU 206 CO 0.02 0.21 0.00 0.94 -1.00 0.00 0.00 179.01 179.18 1y21 n GLN 207 N -4.46 1.98 -2.27 2.33 7.27 -0.67 -4.90 117.38 116.67 1y21 n GLN 207 Ca -0.00 -1.03 -0.18 0.00 0.07 0.00 0.00 57.00 55.86 1y21 n GLN 207 Cb 0.12 -1.48 -0.02 0.00 2.41 0.00 0.00 30.24 31.28 1y21 n GLN 207 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1y21 n LYS 208 N 0.25 -1.43 -3.86 3.69 4.76 -0.28 -5.03 118.16 116.26 1y21 n LYS 208 Ca 0.09 0.90 -0.31 0.00 -2.87 0.00 0.00 58.31 56.13 1y21 n LYS 208 Cb 0.40 -5.39 -0.04 0.00 -1.84 0.00 0.00 35.03 28.16 1y21 n LYS 208 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1y21 s LEU 209 N -5.11 4.34 -1.47 -0.35 1.43 -0.57 -4.26 118.68 112.68 1y21 s LEU 209 Ca 0.00 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 1y21 s LEU 209 Cb 0.00 -3.04 0.06 0.00 0.03 0.00 0.00 46.19 43.24 1y21 s LEU 209 CO 0.00 0.14 0.85 0.49 0.23 0.00 0.00 176.35 178.06 1y21 n PHE 210 N 0.24 -2.23 -1.94 0.29 3.01 -1.26 -3.42 117.46 112.15 1y21 n PHE 210 Ca -0.04 0.77 -0.42 0.00 1.01 0.00 0.00 57.45 58.76 1y21 n PHE 210 Cb 0.51 -4.01 -0.03 0.00 -0.01 0.00 0.00 39.48 35.94 1y21 n PHE 210 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1y21 s ASP 211 N -3.08 6.62 0.00 4.37 3.68 -1.26 -1.42 116.67 125.58 1y21 s ASP 211 Ca 0.54 2.46 0.00 0.00 2.13 0.00 0.00 52.55 57.68 1y21 s ASP 211 Cb -0.27 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.64 1y21 s ASP 211 CO 0.67 -0.88 0.00 0.61 0.13 0.00 0.00 175.17 175.70 1y21 n GLY 212 N 3.99 0.96 3.73 2.66 0.00 -1.26 -5.02 105.19 110.25 1y21 n GLY 212 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1y21 n GLY 212 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1y21 s TRP 213 N -3.84 3.49 -0.10 1.61 0.52 -0.50 -4.68 118.94 115.44 1y21 s TRP 213 Ca 0.00 0.77 -0.01 0.00 0.02 0.00 0.00 56.10 56.88 1y21 s TRP 213 Cb 0.00 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 1y21 s TRP 213 CO 0.00 0.20 -0.05 0.99 0.02 0.00 0.00 176.95 178.12 1y21 s THR 214 N 0.54 3.88 -0.09 2.01 2.01 -0.10 -4.86 115.64 119.03 1y21 s THR 214 Ca 0.22 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.70 1y21 s THR 214 Cb -0.14 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 1y21 s THR 214 CO 0.08 0.57 0.31 -0.70 -0.69 0.00 0.00 174.62 174.18 1y21 s GLU 215 N -0.43 3.95 0.82 4.92 2.12 -1.26 -0.53 118.70 128.29 1y21 s GLU 215 Ca 0.07 0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.44 1y21 s GLU 215 Cb -0.12 -3.30 0.07 0.00 0.26 0.00 0.00 34.13 31.05 1y21 s GLU 215 CO 0.02 0.53 1.07 -2.30 -0.54 0.00 0.00 175.26 174.04 1y21 n PRO 216 N 2.56 0.11 -1.68 4.30 -0.02 -1.26 -4.88 135.00 134.11 1y21 n PRO 216 Ca -0.14 0.11 -0.45 0.00 -2.02 0.00 0.00 63.50 61.00 1y21 n PRO 216 Cb 0.53 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1y21 n PRO 216 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1y21 n GLN 217 N -2.99 2.35 -3.19 -0.52 7.27 -1.26 -4.95 117.38 114.09 1y21 n GLN 217 Ca 0.13 0.85 -0.40 0.00 0.07 0.00 0.00 57.00 57.64 1y21 n GLN 217 Cb 0.51 -2.64 -0.07 0.00 2.41 0.00 0.00 30.24 30.45 1y21 n GLN 217 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1y21 s VAL 218 N 1.01 5.04 -0.61 1.69 1.01 -1.26 -4.85 120.40 122.43 1y21 s VAL 218 Ca 0.78 0.98 0.07 0.00 0.00 0.00 0.00 61.98 63.81 1y21 s VAL 218 Cb -0.62 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1y21 s VAL 218 CO 0.36 0.08 0.50 0.35 0.00 0.00 0.00 175.10 176.39 1y21 n THR 219 N 5.09 0.00 -4.05 3.92 -2.24 -1.26 -4.82 114.28 110.92 1y21 n THR 219 Ca -0.03 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 1y21 n THR 219 Cb 0.49 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 1y21 n THR 219 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1y21 s PHE 220 N -1.13 3.25 0.77 4.78 -0.12 -1.26 -4.97 117.98 119.30 1y21 s PHE 220 Ca 0.05 -0.03 -0.11 0.00 -0.05 0.00 0.00 56.93 56.80 1y21 s PHE 220 Cb 0.06 -1.51 0.05 0.00 -0.63 0.00 0.00 43.02 40.99 1y21 s PHE 220 CO 0.18 0.50 1.09 0.15 -0.05 0.00 0.00 175.22 177.09 1y21 s LYS 221 N -3.56 2.29 0.27 1.99 1.02 -1.26 -4.95 119.74 115.54 1y21 s LYS 221 Ca 0.33 1.14 -0.28 0.00 0.02 0.00 0.00 55.97 57.17 1y21 s LYS 221 Cb -0.09 -1.90 -0.15 0.00 -0.52 0.00 0.00 37.83 35.17 1y21 s LYS 221 CO 0.26 -1.61 0.91 -2.30 -0.92 0.00 0.00 175.35 171.68 1y21 n PRO 222 N -3.50 1.06 -0.42 -1.68 -0.02 -1.26 -4.89 135.00 124.29 1y21 n PRO 222 Ca 0.09 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 62.03 1y21 n PRO 222 Cb 0.53 -1.66 0.29 0.00 -0.02 0.00 0.00 33.50 32.64 1y21 n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1y21 n THR 223 N 0.19 1.17 -3.54 3.45 -2.24 -0.73 -4.86 114.28 107.73 1y21 n THR 223 Ca 0.11 -0.91 -0.17 0.00 -2.27 0.00 0.00 64.05 60.82 1y21 n THR 223 Cb 0.30 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 1y21 n THR 223 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1y21 s TYR 224 N -1.47 -0.64 -0.20 4.78 5.04 -1.01 -0.77 117.35 123.08 1y21 s TYR 224 Ca 0.43 1.17 -0.05 0.00 -2.44 0.00 0.00 57.07 56.18 1y21 s TYR 224 Cb 0.25 0.40 -0.03 0.00 0.35 0.00 0.00 41.96 42.93 1y21 s TYR 224 CO 0.25 -0.55 0.01 0.21 -1.34 0.00 0.00 175.55 174.13 1y21 s LYS 225 N -0.98 3.65 -0.00 4.97 2.20 -1.26 -1.07 119.74 127.24 1y21 s LYS 225 Ca -0.09 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1y21 s LYS 225 Cb -0.01 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1y21 s LYS 225 CO 0.08 0.02 0.19 -0.06 -0.36 0.00 0.00 175.35 175.22 1y21 s PHE 226 N 0.99 3.55 -0.03 4.03 0.40 -0.31 0.34 117.98 126.95 1y21 s PHE 226 Ca 0.02 0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 56.42 1y21 s PHE 226 Cb -0.14 -1.84 -0.06 0.00 0.51 0.00 0.00 43.02 41.50 1y21 s PHE 226 CO 0.02 0.64 1.54 0.15 0.70 0.00 0.00 175.22 178.27 1y21 s LYS 227 N -1.96 4.22 0.47 0.44 1.02 -0.28 -4.31 119.74 119.34 1y21 s LYS 227 Ca 0.28 2.09 -0.22 0.00 0.02 0.00 0.00 55.97 58.14 1y21 s LYS 227 Cb -0.13 -3.77 -0.10 0.00 -0.52 0.00 0.00 37.83 33.31 1y21 s LYS 227 CO 0.19 -0.73 0.90 -2.30 -0.92 0.00 0.00 175.35 172.48 1y21 n PRO 228 N 6.30 1.09 -3.21 -1.68 -0.02 -1.26 -1.70 135.00 134.51 1y21 n PRO 228 Ca 0.15 0.40 -0.21 0.00 -2.02 0.00 0.00 63.50 61.83 1y21 n PRO 228 Cb 0.43 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 1y21 n PRO 228 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y21 n ASN 229 N 0.37 -3.44 -3.36 2.55 4.13 0.15 -4.99 115.26 110.67 1y21 n ASN 229 Ca 0.11 -0.27 -0.19 0.00 1.68 0.00 0.00 54.58 55.91 1y21 n ASN 229 Cb 0.41 -2.88 -0.08 0.00 -1.54 0.00 0.00 39.78 35.70 1y21 n ASN 229 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1y21 s THR 230 N -2.82 0.00 -0.21 3.41 -4.23 -0.69 -5.04 115.64 106.06 1y21 s THR 230 Ca 0.33 -1.97 0.14 0.00 -1.18 0.00 0.00 61.69 59.00 1y21 s THR 230 Cb -0.17 -2.51 0.46 0.00 1.34 0.00 0.00 72.50 71.61 1y21 s THR 230 CO 0.40 0.00 1.35 0.47 -0.54 0.00 0.00 174.62 176.31 1y21 n ASP 231 N -1.53 2.76 -4.78 3.99 8.00 -1.26 -4.74 116.55 119.00 1y21 n ASP 231 Ca 0.07 -3.43 -0.36 0.00 0.71 0.00 0.00 54.79 51.79 1y21 n ASP 231 Cb 0.62 -0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 41.10 1y21 n ASP 231 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1y21 s GLU 232 N -3.05 3.92 0.21 -1.24 2.02 -1.26 -5.03 118.70 114.28 1y21 s GLU 232 Ca 0.40 -0.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.93 1y21 s GLU 232 Cb 0.36 -3.34 -0.08 0.00 0.10 0.00 0.00 34.13 31.17 1y21 s GLU 232 CO 0.02 0.47 1.14 0.71 0.02 0.00 0.00 175.26 177.63 1y21 s TYR 233 N -0.15 3.51 -0.58 1.61 1.51 -1.26 -1.12 117.35 120.88 1y21 s TYR 233 Ca 0.11 1.55 -0.23 0.00 -1.01 0.00 0.00 57.07 57.49 1y21 s TYR 233 Cb -0.11 -3.35 0.05 0.00 -0.11 0.00 0.00 41.96 38.44 1y21 s TYR 233 CO 0.01 -0.85 0.93 0.34 -1.11 0.00 0.00 175.55 174.86 1y21 s ASP 234 N -0.22 6.29 -0.00 2.29 -1.08 0.15 -4.77 116.67 119.32 1y21 s ASP 234 Ca 0.49 -0.55 0.01 0.00 -0.52 0.00 0.00 52.55 51.98 1y21 s ASP 234 Cb -0.32 -2.42 0.02 0.00 -1.46 0.00 0.00 42.92 38.74 1y21 s ASP 234 CO 0.38 -1.26 1.01 0.18 0.52 0.00 0.00 175.17 175.99 1y21 n LEU 235 N 7.45 0.12 0.30 -1.34 4.77 -1.26 -2.72 117.00 124.32 1y21 n LEU 235 Ca -0.00 -0.06 0.20 0.00 -0.03 0.00 0.00 56.01 56.11 1y21 n LEU 235 Cb 0.47 -0.02 0.95 0.00 -2.33 0.00 0.00 43.42 42.49 1y21 n LEU 235 CO 0.63 0.03 1.08 0.77 -1.33 0.00 0.00 177.39 178.57 1y21 h SER 236 N 0.11 0.00 -4.29 -1.43 4.64 -1.95 -3.41 113.55 107.22 1y21 h SER 236 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1y21 h SER 236 Cb 0.03 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 61.86 1y21 h SER 236 CO 0.00 0.00 -0.82 0.00 -0.87 0.00 0.00 176.83 175.14 1y21 s ALA 237 N -3.89 1.44 0.05 5.18 0.00 -1.10 -5.11 121.76 118.32 1y21 s ALA 237 Ca -0.02 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 1y21 s ALA 237 Cb 0.11 -0.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 1y21 s ALA 237 CO 0.46 0.32 1.47 0.99 0.00 0.00 0.00 175.76 179.00 1y21 s THR 238 N -0.69 3.42 0.09 0.00 2.01 -1.26 -4.70 115.64 114.50 1y21 s THR 238 Ca 0.05 0.88 -0.37 0.00 0.31 0.00 0.00 61.69 62.56 1y21 s THR 238 Cb -0.08 -3.56 -0.17 0.00 0.01 0.00 0.00 72.50 68.70 1y21 s THR 238 CO 0.01 0.01 1.35 -2.65 -0.69 0.00 0.00 174.62 172.65 1y21 n PRO 239 N 5.12 1.18 -3.92 4.92 -0.02 -1.26 -4.69 135.00 136.34 1y21 n PRO 239 Ca 0.14 0.43 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1y21 n PRO 239 Cb 0.42 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1y21 n PRO 239 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1y21 s SER 240 N 0.51 0.18 -0.71 2.55 0.01 -0.23 -4.53 113.70 111.48 1y21 s SER 240 Ca 0.84 -0.59 -0.23 0.00 1.31 0.00 0.00 55.95 57.29 1y21 s SER 240 Cb -0.95 0.26 0.07 0.00 0.21 0.00 0.00 66.02 65.62 1y21 s SER 240 CO 0.47 -0.58 1.03 0.26 0.41 0.00 0.00 173.24 174.83 1y21 s TRP 241 N -3.05 2.67 -0.92 2.43 0.51 -1.26 -1.77 118.94 117.55 1y21 s TRP 241 Ca -0.01 -0.60 0.23 0.00 -2.12 0.00 0.00 56.10 53.60 1y21 s TRP 241 Cb 0.01 -4.34 0.03 0.00 -0.81 0.00 0.00 33.47 28.37 1y21 s TRP 241 CO -0.07 -1.69 1.07 0.25 -0.51 0.00 0.00 176.95 176.00 1y21 n THR 242 N 5.96 0.02 -4.02 2.01 -2.24 -1.26 -4.76 114.28 109.98 1y21 n THR 242 Ca 0.01 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.49 1y21 n THR 242 Cb 0.46 0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 69.16 1y21 n THR 242 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1y21 s ASP 243 N -3.16 1.88 0.07 3.42 1.01 -1.26 -3.57 116.67 115.07 1y21 s ASP 243 Ca 0.08 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.12 1y21 s ASP 243 Cb 0.16 -0.73 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 1y21 s ASP 243 CO 0.81 -0.10 -0.08 -0.13 0.21 0.00 0.00 175.17 175.88 1y21 s ARG 244 N 1.50 0.71 -0.15 8.23 1.81 0.38 -4.82 118.95 126.60 1y21 s ARG 244 Ca 0.00 -1.03 0.01 0.00 -1.72 0.00 0.00 55.73 52.99 1y21 s ARG 244 Cb -0.13 -0.35 0.02 0.00 -0.45 0.00 0.00 34.95 34.04 1y21 s ARG 244 CO -0.05 0.04 -0.17 0.00 -0.68 0.00 0.00 175.30 174.44 1y21 s ALA 245 N -2.27 2.01 0.14 2.13 0.00 -1.26 -1.83 121.76 120.69 1y21 s ALA 245 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1y21 s ALA 245 Cb -0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1y21 s ALA 245 CO -0.01 -0.25 -0.11 -0.51 0.00 0.00 0.00 175.76 174.88 1y21 s LEU 246 N 1.21 2.94 0.05 0.00 1.43 0.19 -4.23 118.68 120.27 1y21 s LEU 246 Ca 0.00 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1y21 s LEU 246 Cb -0.14 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1y21 s LEU 246 CO -0.08 0.14 -0.06 -0.72 0.23 0.00 0.00 176.35 175.86 1y21 s TYR 247 N -1.44 0.61 0.26 0.29 -0.85 0.31 -1.06 117.35 115.48 1y21 s TYR 247 Ca 0.22 -0.62 -0.19 0.00 -0.52 0.00 0.00 57.07 55.96 1y21 s TYR 247 Cb -0.10 -0.38 0.02 0.00 0.38 0.00 0.00 41.96 41.88 1y21 s TYR 247 CO 0.14 -0.14 0.65 -1.59 -1.52 0.00 0.00 175.55 173.09 1y21 s LYS 248 N -2.10 1.69 0.02 -3.49 -2.85 -0.72 -0.93 119.74 111.36 1y21 s LYS 248 Ca -0.06 -1.01 0.05 0.00 -1.00 0.00 0.00 55.97 53.95 1y21 s LYS 248 Cb -0.06 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 1y21 s LYS 248 CO -0.02 -0.76 -0.13 0.45 0.10 0.00 0.00 175.35 175.00 1y21 s SER 249 N -2.93 4.14 0.00 0.03 0.15 -1.26 -0.70 113.70 113.13 1y21 s SER 249 Ca 0.13 -0.31 0.22 0.00 0.70 0.00 0.00 55.95 56.69 1y21 s SER 249 Cb -0.04 -0.81 0.61 0.00 -1.71 0.00 0.00 66.02 64.07 1y21 s SER 249 CO 0.06 0.27 1.48 0.61 1.20 0.00 0.00 173.24 176.86 1y21 n GLY 250 N 1.56 0.82 0.52 9.45 0.00 -0.33 -4.42 105.19 112.78 1y21 n GLY 250 Ca -0.16 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.33 1y21 n GLY 250 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y21 n THR 251 N 0.78 0.14 -1.32 2.61 -2.24 -1.24 -4.76 114.28 108.24 1y21 n THR 251 Ca 0.17 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1y21 n THR 251 Cb 0.44 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 1y21 n THR 251 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y21 n GLY 252 N -0.08 1.22 3.79 3.38 0.00 -1.26 -5.04 105.19 107.21 1y21 n GLY 252 Ca 0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1y21 n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y21 s LYS 253 N -2.89 3.74 0.01 1.61 -0.14 -1.26 -5.01 119.74 115.79 1y21 s LYS 253 Ca 0.00 1.42 -0.27 0.00 -1.36 0.00 0.00 55.97 55.76 1y21 s LYS 253 Cb 0.00 -2.11 -0.04 0.00 -1.68 0.00 0.00 37.83 34.00 1y21 s LYS 253 CO 0.00 -0.50 0.85 0.99 -0.76 0.00 0.00 175.35 175.94 1y21 s THR 254 N -1.91 4.82 -0.09 2.17 2.01 -1.26 -4.63 115.64 116.76 1y21 s THR 254 Ca 0.68 1.79 0.01 0.00 0.31 0.00 0.00 61.69 64.48 1y21 s THR 254 Cb -0.18 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.15 1y21 s THR 254 CO 0.22 0.26 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.67 1y21 s ILE 255 N 0.53 1.10 -0.25 1.82 1.01 -1.26 -1.43 121.20 122.72 1y21 s ILE 255 Ca 0.44 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1y21 s ILE 255 Cb -0.20 -1.05 0.05 0.00 0.01 0.00 0.00 42.46 41.26 1y21 s ILE 255 CO 0.24 0.36 -0.11 -1.58 0.00 0.00 0.00 174.94 173.86 1y21 s GLN 256 N 1.13 2.45 0.15 2.79 2.00 0.02 -4.98 119.66 123.22 1y21 s GLN 256 Ca -0.06 -1.21 -0.31 0.00 -2.00 0.00 0.00 55.36 51.78 1y21 s GLN 256 Cb -0.14 -2.87 -0.10 0.00 0.80 0.00 0.00 33.01 30.70 1y21 s GLN 256 CO -0.02 -0.49 1.55 -1.25 -0.50 0.00 0.00 175.29 174.58 1y21 s PRO 257 N 1.17 4.23 -0.13 1.67 0.04 -1.26 -1.02 135.00 139.69 1y21 s PRO 257 Ca -0.05 2.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 1y21 s PRO 257 Cb -0.18 -3.19 -0.25 0.00 0.04 0.00 0.00 34.50 30.92 1y21 s PRO 257 CO -0.06 -0.60 0.33 1.28 0.04 0.00 0.00 177.00 177.99 1y21 n LEU 258 N 4.07 2.39 -3.50 -3.56 4.77 0.20 -4.92 117.00 116.45 1y21 n LEU 258 Ca 0.14 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1y21 n LEU 258 Cb 0.39 -0.89 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1y21 n LEU 258 CO 0.61 0.80 0.62 -0.94 -1.33 0.00 0.00 177.39 177.15 1y21 s SER 259 N -6.82 -0.40 -0.26 -1.43 1.04 -1.17 -4.98 113.70 99.68 1y21 s SER 259 Ca -0.21 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.14 1y21 s SER 259 Cb 0.07 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.78 1y21 s SER 259 CO 0.76 -0.73 0.52 -0.47 0.98 0.00 0.00 173.24 174.29 1y21 s TYR 260 N -3.29 -1.19 -0.07 5.02 5.04 -1.26 -1.26 117.35 120.34 1y21 s TYR 260 Ca 0.05 1.58 -0.21 0.00 -2.44 0.00 0.00 57.07 56.04 1y21 s TYR 260 Cb -0.01 0.42 0.05 0.00 0.35 0.00 0.00 41.96 42.77 1y21 s TYR 260 CO -0.09 -0.71 0.49 -0.80 -1.34 0.00 0.00 175.55 173.09 1y21 s ASN 261 N 2.74 -0.43 0.55 4.32 0.01 -0.29 -4.75 114.94 117.08 1y21 s ASN 261 Ca 0.09 0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 52.61 1y21 s ASN 261 Cb -0.14 0.57 -0.06 0.00 0.41 0.00 0.00 41.25 42.03 1y21 s ASN 261 CO -0.18 -0.44 1.02 -0.94 -1.51 0.00 0.00 177.10 175.05 1y21 s SER 262 N -0.89 6.27 -0.53 -1.22 1.04 -1.26 -0.62 113.70 116.49 1y21 s SER 262 Ca -0.09 1.66 -0.06 0.00 0.48 0.00 0.00 55.95 57.93 1y21 s SER 262 Cb -0.03 -2.52 0.14 0.00 0.10 0.00 0.00 66.02 63.71 1y21 s SER 262 CO 0.05 -0.83 0.37 -0.76 0.98 0.00 0.00 173.24 173.05 1y21 s LEU 263 N -4.30 5.52 0.00 2.42 1.43 0.04 -4.89 118.68 118.90 1y21 s LEU 263 Ca 0.60 -2.30 0.25 0.00 -1.03 0.00 0.00 54.13 51.65 1y21 s LEU 263 Cb -0.12 -1.93 1.08 0.00 0.03 0.00 0.00 46.19 45.24 1y21 s LEU 263 CO 0.35 -0.54 1.81 0.35 0.23 0.00 0.00 176.35 178.54 1y21 n THR 264 N 4.31 0.27 0.21 5.49 -2.24 -1.26 -3.16 114.28 117.90 1y21 n THR 264 Ca 0.00 0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 1y21 n THR 264 Cb 0.40 -0.63 0.44 0.00 -2.10 0.00 0.00 70.33 68.44 1y21 n THR 264 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1y21 h ASN 265 N 0.00 0.00 -1.55 3.42 2.35 -1.98 -3.38 115.58 114.44 1y21 h ASN 265 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 1y21 h ASN 265 Cb 0.43 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.67 1y21 h ASN 265 CO 0.00 0.26 1.43 -0.31 -1.65 0.00 0.00 177.43 177.16 1y21 s TYR 266 N -3.70 2.86 -1.44 1.19 1.51 -1.19 -4.81 117.35 111.77 1y21 s TYR 266 Ca 0.00 -1.30 0.13 0.00 -1.01 0.00 0.00 57.07 54.90 1y21 s TYR 266 Cb 0.11 -4.55 0.24 0.00 -0.11 0.00 0.00 41.96 37.65 1y21 s TYR 266 CO 0.65 -1.73 1.12 1.63 -1.11 0.00 0.00 175.55 176.11 1y21 n LYS 267 N 7.76 1.83 0.15 -0.62 5.02 -1.26 -4.56 118.16 126.48 1y21 n LYS 267 Ca 0.34 -1.73 0.12 0.00 -2.02 0.00 0.00 58.31 55.02 1y21 n LYS 267 Cb 0.49 -1.30 0.16 0.00 -0.02 0.00 0.00 35.03 34.36 1y21 n LYS 267 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1y21 h GLN 268 N 2.60 0.00 -5.90 1.97 7.50 -1.92 0.45 115.11 119.80 1y21 h GLN 268 Ca 0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 1y21 h GLN 268 Cb 0.67 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 28.11 1y21 h GLN 268 CO 0.00 0.00 -0.54 -0.08 -1.50 0.00 0.00 178.83 176.71 1y21 s THR 269 N -3.23 2.38 0.25 -0.54 -1.32 -1.26 -4.42 115.64 107.49 1y21 s THR 269 Ca 0.05 -1.79 0.34 0.00 -1.21 0.00 0.00 61.69 59.08 1y21 s THR 269 Cb 0.08 -2.96 0.38 0.00 -1.51 0.00 0.00 72.50 68.49 1y21 s THR 269 CO 0.70 -0.05 2.05 -0.33 -2.21 0.00 0.00 174.62 174.78 1y21 h GLU 270 N 1.56 0.00 -6.16 7.08 5.08 -1.88 -3.43 114.58 116.83 1y21 h GLU 270 Ca -0.43 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.24 1y21 h GLU 270 Cb 1.25 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.25 1y21 h GLU 270 CO 0.70 0.04 -0.78 -1.01 -1.00 0.00 0.00 179.01 176.96 1y21 s HIS 271 N -3.82 2.69 -0.01 4.33 3.76 -1.26 -1.17 115.29 119.81 1y21 s HIS 271 Ca -0.01 -0.28 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 1y21 s HIS 271 Cb 0.10 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 1y21 s HIS 271 CO 0.53 0.09 0.38 1.03 -0.85 0.00 0.00 174.74 175.92 1y21 s ARG 272 N -0.52 3.86 0.64 1.40 1.81 0.05 -4.91 118.95 121.28 1y21 s ARG 272 Ca 0.07 0.35 -0.15 0.00 -1.72 0.00 0.00 55.73 54.28 1y21 s ARG 272 Cb -0.12 -3.22 -0.01 0.00 -0.45 0.00 0.00 34.95 31.16 1y21 s ARG 272 CO 0.01 0.70 1.10 -1.25 -0.68 0.00 0.00 175.30 175.19 1y21 s PRO 273 N -1.07 2.92 -0.09 3.54 0.04 -1.26 -4.83 135.00 134.24 1y21 s PRO 273 Ca 0.23 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1y21 s PRO 273 Cb -0.16 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1y21 s PRO 273 CO 0.12 -1.15 -0.17 0.08 0.04 0.00 0.00 177.00 175.92 1y21 s VAL 274 N -2.33 1.56 -0.17 -0.36 1.01 -0.42 -0.78 120.40 118.92 1y21 s VAL 274 Ca 0.67 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1y21 s VAL 274 Cb -0.20 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1y21 s VAL 274 CO 0.40 0.45 -0.08 -0.22 0.00 0.00 0.00 175.10 175.65 1y21 s LEU 275 N 0.67 2.87 0.05 3.92 2.96 0.21 -1.77 118.68 127.60 1y21 s LEU 275 Ca -0.13 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1y21 s LEU 275 Cb -0.16 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1y21 s LEU 275 CO 0.03 0.10 -0.23 0.00 -1.32 0.00 0.00 176.35 174.94 1y21 s ALA 276 N 0.77 1.93 -0.05 5.97 0.00 -0.06 -1.14 121.76 129.18 1y21 s ALA 276 Ca -0.03 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1y21 s ALA 276 Cb -0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1y21 s ALA 276 CO 0.02 0.44 -0.21 0.15 0.00 0.00 0.00 175.76 176.16 1y21 s LYS 277 N -1.29 2.16 0.06 0.00 1.02 -0.39 -0.83 119.74 120.47 1y21 s LYS 277 Ca 0.09 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.37 1y21 s LYS 277 Cb -0.09 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1y21 s LYS 277 CO 0.02 0.29 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.60 1y21 s PHE 278 N -0.01 0.79 -0.15 3.18 0.40 0.04 0.63 117.98 122.85 1y21 s PHE 278 Ca -0.05 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1y21 s PHE 278 Cb -0.13 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 42.94 1y21 s PHE 278 CO 0.03 -0.08 -0.18 0.50 0.70 0.00 0.00 175.22 176.19 1y21 s ARG 279 N -2.11 3.12 0.05 0.44 3.52 -0.19 -1.13 118.95 122.65 1y21 s ARG 279 Ca -0.04 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 1y21 s ARG 279 Cb -0.07 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 1y21 s ARG 279 CO -0.00 -0.02 0.03 0.14 -0.81 0.00 0.00 175.30 174.64 1y21 s VAL 280 N 0.86 4.28 -0.24 7.11 -7.23 0.76 -0.80 120.40 125.14 1y21 s VAL 280 Ca -0.05 -0.73 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 1y21 s VAL 280 Cb -0.15 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.80 1y21 s VAL 280 CO -0.02 0.23 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.07 1y21 s THR 281 N -1.24 3.18 -2.00 5.32 2.01 -0.51 -1.32 115.64 121.07 1y21 s THR 281 Ca 0.24 -0.76 0.18 0.00 0.31 0.00 0.00 61.69 61.66 1y21 s THR 281 Cb -0.12 -2.54 0.50 0.00 0.01 0.00 0.00 72.50 70.35 1y21 s THR 281 CO 0.16 0.29 1.45 0.18 -0.69 0.00 0.00 174.62 176.01