#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1riq n LEU 2 N 0.00 -4.68 -4.90 2.46 4.77 -1.26 -3.93 117.00 109.46 1riq n LEU 2 Ca 0.00 2.07 -0.28 0.00 -0.03 0.00 0.00 56.01 57.77 1riq n LEU 2 Cb 0.00 -2.40 0.01 0.00 -2.33 0.00 0.00 43.42 38.71 1riq n LEU 2 CO 0.00 -1.23 0.56 -0.94 -1.33 0.00 0.00 177.39 174.45 1riq s SER 3 N -0.34 6.00 0.26 -1.43 1.04 -1.26 -4.67 113.70 113.30 1riq s SER 3 Ca 0.00 1.01 -0.03 0.00 0.48 0.00 0.00 55.95 57.40 1riq s SER 3 Cb 0.00 -2.12 0.39 0.00 0.10 0.00 0.00 66.02 64.38 1riq s SER 3 CO 0.00 -0.85 1.87 0.00 0.98 0.00 0.00 173.24 175.24 1riq h ALA 4 N -0.09 1.32 -0.62 5.32 0.00 -1.95 -1.12 119.26 122.12 1riq h ALA 4 Ca -0.46 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1riq h ALA 4 Cb 1.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1riq h ALA 4 CO 0.62 0.37 0.16 0.45 0.00 0.00 0.00 179.25 180.85 1riq h HIS 5 N 1.09 1.00 -0.27 0.00 3.86 -2.00 -1.07 115.15 117.77 1riq h HIS 5 Ca 0.42 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 59.38 1riq h HIS 5 Cb 0.19 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1riq h HIS 5 CO -0.01 0.82 -0.42 0.93 0.86 0.00 0.00 177.93 180.11 1riq h GLU 6 N 0.93 0.65 -0.49 2.45 5.08 -1.71 -2.50 114.58 118.98 1riq h GLU 6 Ca 0.20 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 1riq h GLU 6 Cb 0.32 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1riq h GLU 6 CO -0.00 0.95 -0.19 0.82 -1.00 0.00 0.00 179.01 179.59 1riq h ILE 7 N 0.53 1.27 -0.33 3.13 2.04 -0.92 0.06 117.51 123.29 1riq h ILE 7 Ca 0.04 -1.35 0.01 0.00 1.00 0.00 0.00 64.86 64.56 1riq h ILE 7 Cb 0.94 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1riq h ILE 7 CO 0.09 0.47 0.20 -0.09 0.00 0.00 0.00 178.15 178.81 1riq h ARG 8 N 0.86 0.39 -0.44 2.37 2.43 -1.08 -1.33 114.38 117.58 1riq h ARG 8 Ca 0.12 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1riq h ARG 8 Cb 0.76 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1riq h ARG 8 CO 0.06 0.26 -0.21 1.49 -1.51 0.00 0.00 179.97 180.06 1riq h GLU 9 N 0.40 0.88 -0.48 0.20 4.57 -1.24 -2.49 114.58 116.43 1riq h GLU 9 Ca 0.13 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1riq h GLU 9 Cb -0.00 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1riq h GLU 9 CO -0.06 1.01 0.22 -0.07 -1.18 0.00 0.00 179.01 178.92 1riq h LEU 10 N 0.77 0.64 -0.02 1.64 3.38 -0.78 -0.86 115.31 120.08 1riq h LEU 10 Ca 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1riq h LEU 10 Cb 0.75 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1riq h LEU 10 CO 0.06 0.61 0.01 0.15 0.09 0.00 0.00 178.44 179.36 1riq h PHE 11 N 0.63 0.03 -0.19 1.13 3.57 -1.10 0.28 116.94 121.30 1riq h PHE 11 Ca 0.16 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1riq h PHE 11 Cb 0.15 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1riq h PHE 11 CO -0.00 0.02 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.01 1riq h LEU 12 N 0.02 0.34 -1.05 0.59 3.38 -1.37 -2.78 115.31 114.44 1riq h LEU 12 Ca 0.01 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1riq h LEU 12 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1riq h LEU 12 CO -0.00 0.59 0.15 0.77 0.09 0.00 0.00 178.44 180.03 1riq h SER 13 N 0.08 0.77 -0.13 -0.43 4.64 -1.13 -1.47 113.55 115.87 1riq h SER 13 Ca 0.05 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1riq h SER 13 Cb 0.42 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1riq h SER 13 CO 0.01 0.75 -0.06 0.15 -0.87 0.00 0.00 176.83 176.81 1riq h PHE 14 N 0.80 -0.13 0.00 4.77 3.57 -0.81 -1.69 116.94 123.46 1riq h PHE 14 Ca 0.18 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1riq h PHE 14 Cb 0.27 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1riq h PHE 14 CO 0.02 -0.09 -0.34 0.74 -2.23 0.00 0.00 178.31 176.41 1riq h PHE 15 N -0.04 0.00 -0.47 0.41 0.04 -1.27 -2.68 116.94 112.94 1riq h PHE 15 Ca 0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1riq h PHE 15 Cb 0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1riq h PHE 15 CO -0.19 0.34 0.20 0.93 -0.60 0.00 0.00 178.31 178.99 1riq h GLU 16 N 0.00 0.69 0.00 1.51 5.08 -0.70 0.16 114.58 121.32 1riq h GLU 16 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1riq h GLU 16 Cb 0.88 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1riq h GLU 16 CO 0.04 0.61 0.00 0.87 -1.00 0.00 0.00 179.01 179.53 1riq h LYS 17 N 0.61 0.00 -0.88 2.33 1.57 -1.00 0.51 116.57 119.72 1riq h LYS 17 Ca 0.16 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.67 1riq h LYS 17 Cb 0.17 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.32 1riq h LYS 17 CO -0.02 0.00 0.34 1.63 -0.57 0.00 0.00 179.45 180.83 1riq n LYS 18 N -2.92 2.80 -1.01 3.15 4.76 -0.27 -4.89 118.16 119.78 1riq n LYS 18 Ca -0.01 -2.48 -0.00 0.00 -2.87 0.00 0.00 58.31 52.95 1riq n LYS 18 Cb 0.16 -2.02 -0.00 0.00 -1.84 0.00 0.00 35.03 31.33 1riq n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1riq n GLY 19 N -0.34 0.42 3.78 0.72 0.00 0.17 -5.02 105.19 104.92 1riq n GLY 19 Ca 0.39 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 1riq n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1riq s HIS 20 N -1.81 3.84 -0.10 1.61 3.76 0.39 -4.69 115.29 118.29 1riq s HIS 20 Ca 0.00 1.48 -0.27 0.00 -0.15 0.00 0.00 55.06 56.12 1riq s HIS 20 Cb 0.00 -2.69 -0.02 0.00 1.11 0.00 0.00 32.58 30.98 1riq s HIS 20 CO 0.00 0.48 0.88 0.99 -0.85 0.00 0.00 174.74 176.25 1riq s THR 21 N -0.88 4.89 0.01 1.30 2.01 -0.20 -4.05 115.64 118.72 1riq s THR 21 Ca 0.34 1.79 -0.30 0.00 0.31 0.00 0.00 61.69 63.83 1riq s THR 21 Cb -0.21 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 1riq s THR 21 CO 0.23 0.09 1.20 -0.60 -0.69 0.00 0.00 174.62 174.86 1riq s ARG 22 N 1.61 4.40 -0.13 4.92 3.52 -1.26 -1.53 118.95 130.48 1riq s ARG 22 Ca 0.44 1.73 0.02 0.00 -0.13 0.00 0.00 55.73 57.79 1riq s ARG 22 Cb -0.18 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1riq s ARG 22 CO 0.18 -0.34 -0.21 0.08 -0.81 0.00 0.00 175.30 174.20 1riq s VAL 23 N 1.58 2.20 0.59 7.11 1.01 0.05 -4.93 120.40 128.00 1riq s VAL 23 Ca 0.58 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1riq s VAL 23 Cb -0.27 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1riq s VAL 23 CO 0.26 0.55 0.91 1.17 0.00 0.00 0.00 175.10 177.99 1riq n LYS 24 N 3.90 0.87 -2.10 2.72 4.81 -1.26 -4.49 118.16 122.61 1riq n LYS 24 Ca -0.19 0.34 -0.41 0.00 -0.87 0.00 0.00 58.31 57.17 1riq n LYS 24 Cb 0.52 -2.10 -0.03 0.00 0.02 0.00 0.00 35.03 33.44 1riq n LYS 24 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1riq s SER 25 N -1.21 6.76 0.70 3.14 0.15 -1.26 -4.96 113.70 117.02 1riq s SER 25 Ca 0.74 2.53 -0.13 0.00 0.70 0.00 0.00 55.95 59.79 1riq s SER 25 Cb -0.43 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.29 1riq s SER 25 CO 0.48 -0.64 1.08 0.00 1.20 0.00 0.00 173.24 175.37 1riq s ALA 26 N 0.23 2.47 0.74 5.45 0.00 -1.26 -4.97 121.76 124.42 1riq s ALA 26 Ca 0.59 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 1riq s ALA 26 Cb -0.39 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1riq s ALA 26 CO 0.39 -1.38 1.14 -1.25 0.00 0.00 0.00 175.76 174.66 1riq s PRO 27 N -4.58 2.23 0.51 0.00 0.04 -1.26 -4.60 135.00 127.34 1riq s PRO 27 Ca 0.62 1.48 0.15 0.00 0.04 0.00 0.00 61.00 63.30 1riq s PRO 27 Cb -0.17 -1.87 1.24 0.00 0.04 0.00 0.00 34.50 33.74 1riq s PRO 27 CO 0.49 -1.71 2.14 -0.07 0.04 0.00 0.00 177.00 177.89 1riq h LEU 28 N -0.57 0.03 -9.03 -3.56 3.38 -1.90 -3.40 115.31 100.26 1riq h LEU 28 Ca -0.46 -0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.89 1riq h LEU 28 Cb 1.26 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 1riq h LEU 28 CO 0.50 0.02 -0.25 -0.69 0.09 0.00 0.00 178.44 178.12 1riq s VAL 29 N -5.10 5.20 0.04 1.22 1.01 -1.26 -1.24 120.40 120.28 1riq s VAL 29 Ca -0.05 0.59 -0.31 0.00 0.00 0.00 0.00 61.98 62.21 1riq s VAL 29 Cb 0.17 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1riq s VAL 29 CO 0.68 0.21 1.55 -2.84 0.00 0.00 0.00 175.10 174.69 1riq s PRO 30 N 1.68 4.23 0.17 2.72 0.02 -1.26 -4.93 135.00 137.64 1riq s PRO 30 Ca 0.16 2.18 -0.14 0.00 0.02 0.00 0.00 61.00 63.22 1riq s PRO 30 Cb -0.15 -3.58 0.11 0.00 0.02 0.00 0.00 34.50 30.91 1riq s PRO 30 CO 0.09 -0.66 1.77 1.49 -0.33 0.00 0.00 177.00 179.36 1riq h GLU 31 N 8.08 0.42 -1.85 5.54 4.57 -1.96 -3.35 114.58 126.03 1riq h GLU 31 Ca -0.41 -0.03 -0.49 0.00 -1.18 0.00 0.00 59.36 57.26 1riq h GLU 31 Cb 1.19 -0.09 -0.41 0.00 -0.16 0.00 0.00 28.75 29.28 1riq h GLU 31 CO 0.92 0.28 -1.05 0.09 -1.18 0.00 0.00 179.01 178.07 1riq n ASN 32 N -4.93 2.01 -3.02 1.04 3.02 -1.26 -4.93 115.26 107.20 1riq n ASN 32 Ca 0.03 -3.15 -0.15 0.00 -0.03 0.00 0.00 54.58 51.28 1riq n ASN 32 Cb 0.13 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 1riq n ASN 32 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1riq n ASP 33 N 0.05 -1.84 0.28 6.41 -0.08 -1.26 -5.01 116.55 115.11 1riq n ASP 33 Ca 0.24 -2.80 0.14 0.00 -1.51 0.00 0.00 54.79 50.86 1riq n ASP 33 Cb 0.63 0.68 0.75 0.00 2.34 0.00 0.00 41.12 45.52 1riq n ASP 33 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1riq h PRO 34 N 4.78 0.00 0.00 -0.67 0.13 -1.92 -2.32 132.00 132.01 1riq h PRO 34 Ca 0.08 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.01 1riq h PRO 34 Cb 0.99 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 1riq h PRO 34 CO 0.26 0.00 -1.05 1.79 -0.23 0.00 0.00 178.00 178.78 1riq h THR 35 N 0.00 1.34 -3.70 1.56 1.35 -1.99 -3.43 112.91 108.04 1riq h THR 35 Ca 0.00 -2.99 -0.66 0.00 -0.55 0.00 0.00 66.41 62.21 1riq h THR 35 Cb 0.51 2.65 -0.17 0.00 -1.73 0.00 0.00 68.15 69.41 1riq h THR 35 CO 0.00 0.76 -0.31 -0.22 -0.25 0.00 0.00 175.52 175.51 1riq s LEU 36 N -6.50 4.34 0.12 3.87 2.96 -0.87 -4.98 118.68 117.61 1riq s LEU 36 Ca 0.00 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.62 1riq s LEU 36 Cb 0.09 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1riq s LEU 36 CO 0.81 -0.28 1.61 -0.07 -1.32 0.00 0.00 176.35 177.09 1riq h LEU 37 N 8.68 0.59 -7.70 -0.68 3.38 -1.84 -3.43 115.31 114.31 1riq h LEU 37 Ca -0.31 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.27 1riq h LEU 37 Cb 1.15 -0.16 -0.21 0.00 0.09 0.00 0.00 40.66 41.53 1riq h LEU 37 CO 0.67 0.69 -0.47 -0.36 0.09 0.00 0.00 178.44 179.06 1riq s PHE 38 N -5.24 -0.01 0.12 1.13 0.08 -1.26 -4.58 117.98 108.22 1riq s PHE 38 Ca -0.13 -0.02 -0.31 0.00 0.12 0.00 0.00 56.93 56.58 1riq s PHE 38 Cb 0.10 -0.02 -0.10 0.00 -0.57 0.00 0.00 43.02 42.43 1riq s PHE 38 CO 0.77 -0.28 1.74 0.08 -0.10 0.00 0.00 175.22 177.42 1riq s VAL 39 N -1.23 2.66 -0.26 -0.44 1.01 -0.37 -4.83 120.40 116.93 1riq s VAL 39 Ca -0.13 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.16 1riq s VAL 39 Cb -0.07 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 1riq s VAL 39 CO 0.02 0.00 0.31 -0.46 0.00 0.00 0.00 175.10 174.97 1riq n ASN 40 N 5.33 1.37 -3.81 3.32 6.94 -1.26 -1.03 115.26 126.13 1riq n ASN 40 Ca 0.17 -0.44 -0.11 0.00 -0.02 0.00 0.00 54.58 54.18 1riq n ASN 40 Cb 0.39 1.16 -0.08 0.00 -2.36 0.00 0.00 39.78 38.89 1riq n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1riq s ALA 41 N -2.15 -0.49 0.00 -2.53 0.00 -1.26 -4.62 121.76 110.71 1riq s ALA 41 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1riq s ALA 41 Cb 0.06 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1riq s ALA 41 CO 0.37 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1riq n GLY 42 N 0.58 0.03 5.00 0.00 0.00 -1.26 -4.55 105.19 104.98 1riq n GLY 42 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1riq n GLY 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1riq n VAL 44 N 0.85 0.00 0.36 1.61 0.31 -1.26 -4.59 118.33 115.61 1riq n VAL 44 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1riq n VAL 44 Cb 0.00 0.00 0.22 0.00 -0.91 0.00 0.00 33.84 33.15 1riq n VAL 44 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1riq n PRO 45 N 0.00 0.02 -0.05 5.55 -0.04 -1.26 -2.01 135.00 137.21 1riq n PRO 45 Ca 0.00 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 1riq n PRO 45 Cb 0.00 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1riq n PRO 45 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1riq n PHE 46 N -1.48 0.12 -0.10 0.54 3.72 -1.26 -4.72 117.46 114.29 1riq n PHE 46 Ca 0.03 -0.09 -0.13 0.00 -0.05 0.00 0.00 57.45 57.21 1riq n PHE 46 Cb 0.11 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 1riq n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1riq h LYS 47 N 3.20 -0.41 -0.09 -1.08 3.64 -1.80 0.12 116.57 120.15 1riq h LYS 47 Ca 0.00 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1riq h LYS 47 Cb 0.72 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1riq h LYS 47 CO 0.00 -0.27 0.09 -0.91 -2.27 0.00 0.00 179.45 176.09 1riq h ASN 48 N -0.43 0.00 0.22 4.20 4.21 -1.84 -0.63 115.58 121.31 1riq h ASN 48 Ca 0.08 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.31 1riq h ASN 48 Cb 0.62 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.84 1riq h ASN 48 CO -0.54 0.00 -1.21 0.58 -1.29 0.00 0.00 177.43 174.96 1riq h VAL 49 N 0.00 1.32 0.00 2.81 2.07 -1.19 -0.65 116.25 120.62 1riq h VAL 49 Ca 0.04 -2.54 -0.04 0.00 0.82 0.00 0.00 66.70 64.99 1riq h VAL 49 Cb 0.23 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1riq h VAL 49 CO -0.00 0.77 -0.17 -0.26 0.02 0.00 0.00 177.57 177.92 1riq h PHE 50 N 0.25 0.00 -0.22 1.57 0.04 0.58 -1.67 116.94 117.49 1riq h PHE 50 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1riq h PHE 50 Cb 1.88 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.03 1riq h PHE 50 CO 0.10 0.17 0.00 1.28 -0.60 0.00 0.00 178.31 179.27 1riq n LEU 51 N -4.10 1.28 0.00 1.54 4.77 -0.50 -4.88 117.00 115.12 1riq n LEU 51 Ca -0.02 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1riq n LEU 51 Cb 0.25 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1riq n LEU 51 CO 0.35 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1riq n GLY 52 N 0.92 1.98 0.00 -0.72 0.00 -0.63 -4.87 105.19 101.87 1riq n GLY 52 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1riq n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1riq n LEU 53 N 0.00 0.00 -4.70 0.99 4.32 -0.38 -4.69 117.00 112.54 1riq n LEU 53 Ca 0.00 0.55 -0.30 0.00 -0.02 0.00 0.00 56.01 56.24 1riq n LEU 53 Cb 0.00 -0.05 0.14 0.00 -1.62 0.00 0.00 43.42 41.89 1riq n LEU 53 CO 0.00 -0.05 0.66 -1.61 -1.22 0.00 0.00 177.39 175.17 1riq s GLU 54 N -1.21 1.18 0.20 3.23 2.02 -0.45 -4.96 118.70 118.71 1riq s GLU 54 Ca 0.00 0.97 0.09 0.00 0.02 0.00 0.00 54.97 56.05 1riq s GLU 54 Cb 0.00 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 1riq s GLU 54 CO 0.00 -2.34 -0.18 -1.59 0.02 0.00 0.00 175.26 171.17 1riq s LYS 55 N -4.85 1.39 0.01 1.61 -2.85 -1.26 -4.48 119.74 109.31 1riq s LYS 55 Ca 0.64 -1.54 -0.05 0.00 -1.00 0.00 0.00 55.97 54.01 1riq s LYS 55 Cb -0.19 -1.41 -0.01 0.00 -2.06 0.00 0.00 37.83 34.17 1riq s LYS 55 CO 0.58 0.27 0.09 0.50 0.10 0.00 0.00 175.35 176.89 1riq s ARG 56 N -3.17 0.46 0.59 1.78 6.06 -1.26 -5.04 118.95 118.36 1riq s ARG 56 Ca 0.21 -0.49 0.37 0.00 -2.50 0.00 0.00 55.73 53.32 1riq s ARG 56 Cb -0.04 0.18 1.73 0.00 0.06 0.00 0.00 34.95 36.88 1riq s ARG 56 CO 0.09 -0.10 2.12 -1.35 -2.50 0.00 0.00 175.30 173.56 1riq h PRO 57 N 4.28 0.00 -6.22 5.12 0.11 -2.02 -3.44 132.00 129.84 1riq h PRO 57 Ca -0.31 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.22 1riq h PRO 57 Cb 1.20 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 1riq h PRO 57 CO 0.42 0.01 -0.69 1.52 -0.21 0.00 0.00 178.00 179.05 1riq s TYR 58 N -3.87 2.53 -0.17 0.65 -0.85 -1.26 -5.03 117.35 109.35 1riq s TYR 58 Ca -0.01 -0.26 0.11 0.00 -0.52 0.00 0.00 57.07 56.39 1riq s TYR 58 Cb 0.11 -1.12 -0.16 0.00 0.38 0.00 0.00 41.96 41.17 1riq s TYR 58 CO 0.50 0.66 0.32 1.63 -1.52 0.00 0.00 175.55 177.13 1riq n LYS 59 N -0.75 1.23 -4.98 -3.49 5.02 -1.26 -4.95 118.16 108.98 1riq n LYS 59 Ca -0.06 -0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 55.87 1riq n LYS 59 Cb 0.59 -1.20 -0.17 0.00 -0.02 0.00 0.00 35.03 34.24 1riq n LYS 59 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1riq s ARG 60 N -2.57 2.42 0.05 1.97 0.52 -1.26 -0.96 118.95 119.11 1riq s ARG 60 Ca -0.02 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1riq s ARG 60 Cb 0.08 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 1riq s ARG 60 CO 0.47 0.16 -0.03 0.00 0.02 0.00 0.00 175.30 175.92 1riq s ALA 61 N 0.34 0.47 -0.11 2.13 0.00 -0.42 -1.03 121.76 123.15 1riq s ALA 61 Ca -0.14 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 1riq s ALA 61 Cb -0.16 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1riq s ALA 61 CO 0.06 -0.35 0.36 -0.08 0.00 0.00 0.00 175.76 175.75 1riq s THR 62 N -3.64 0.01 0.26 0.00 -1.32 -0.58 -0.03 115.64 110.34 1riq s THR 62 Ca 0.04 -0.10 -0.21 0.00 -1.21 0.00 0.00 61.69 60.21 1riq s THR 62 Cb 0.06 -0.54 0.03 0.00 -1.51 0.00 0.00 72.50 70.54 1riq s THR 62 CO -0.09 -0.06 0.69 -0.94 -2.21 0.00 0.00 174.62 172.02 1riq s SER 63 N -0.15 -0.30 -0.31 8.08 1.04 -0.80 -0.77 113.70 120.48 1riq s SER 63 Ca -0.03 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.89 1riq s SER 63 Cb -0.03 0.71 0.09 0.00 0.10 0.00 0.00 66.02 66.88 1riq s SER 63 CO 0.01 -1.29 0.02 0.00 0.98 0.00 0.00 173.24 172.97 1riq s GLN 65 N 1.11 3.96 -0.00 0.00 2.00 -1.26 -4.32 119.66 121.15 1riq s GLN 65 Ca 0.06 0.29 -0.30 0.00 -2.00 0.00 0.00 55.36 53.40 1riq s GLN 65 Cb -0.19 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 1riq s GLN 65 CO -0.10 0.56 1.07 0.15 -0.50 0.00 0.00 175.29 176.47 1riq s LYS 66 N -0.60 4.48 0.11 1.67 1.02 -1.26 -4.31 119.74 120.85 1riq s LYS 66 Ca 0.22 1.55 0.05 0.00 0.02 0.00 0.00 55.97 57.80 1riq s LYS 66 Cb -0.15 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1riq s LYS 66 CO 0.10 -0.19 -0.13 0.00 -0.92 0.00 0.00 175.35 174.22 1riq s LEU 68 N -2.31 0.99 -0.82 0.00 1.43 -0.20 -1.33 118.68 116.45 1riq s LEU 68 Ca 0.06 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1riq s LEU 68 Cb -0.05 -0.36 0.20 0.00 0.03 0.00 0.00 46.19 46.01 1riq s LEU 68 CO 0.02 -0.12 0.68 0.54 0.23 0.00 0.00 176.35 177.70 1riq n ARG 69 N 4.48 2.34 -0.57 1.70 1.74 -0.64 -4.00 116.66 121.71 1riq n ARG 69 Ca -0.19 -4.50 0.01 0.00 -0.77 0.00 0.00 57.85 52.41 1riq n ARG 69 Cb 0.50 -2.36 0.02 0.00 -1.02 0.00 0.00 32.46 29.60 1riq n ARG 69 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1riq n VAL 70 N 2.08 0.19 -3.50 1.55 0.24 -1.08 -1.27 118.33 116.53 1riq n VAL 70 Ca 0.21 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 1riq n VAL 70 Cb 0.36 0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 33.19 1riq n VAL 70 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1riq s SER 71 N -1.29 -0.50 0.91 -1.34 0.15 -1.22 -4.87 113.70 105.53 1riq s SER 71 Ca 0.07 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1riq s SER 71 Cb 0.07 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1riq s SER 71 CO -0.02 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.01 1riq n GLY 72 N -0.39 2.73 0.00 9.45 0.00 -1.26 -2.17 105.19 113.55 1riq n GLY 72 Ca -0.15 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.76 1riq n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1riq n LYS 73 N 14.00 0.99 -3.14 1.61 4.76 -1.26 -3.86 118.16 131.26 1riq n LYS 73 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1riq n LYS 73 Cb 0.00 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 31.71 1riq n LYS 73 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1riq n HIS 74 N -0.93 1.57 -3.83 2.13 1.44 -0.92 -5.05 115.22 109.63 1riq n HIS 74 Ca 0.21 -3.87 -0.36 0.00 -2.01 0.00 0.00 57.72 51.69 1riq n HIS 74 Cb 0.09 -0.44 -0.13 0.00 0.12 0.00 0.00 29.99 29.63 1riq n HIS 74 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1riq s ASN 75 N -2.55 5.11 0.00 4.39 3.84 -1.22 -2.63 114.94 121.87 1riq s ASN 75 Ca 0.42 -1.37 0.17 0.00 0.21 0.00 0.00 52.86 52.28 1riq s ASN 75 Cb 0.28 -1.79 0.08 0.00 -0.55 0.00 0.00 41.25 39.28 1riq s ASN 75 CO -0.10 -0.34 0.97 0.47 -2.79 0.00 0.00 177.10 175.32 1riq n ASP 76 N 4.68 2.13 -0.32 -4.21 8.00 -0.40 -4.70 116.55 121.74 1riq n ASP 76 Ca -0.11 -1.56 0.18 0.00 0.71 0.00 0.00 54.79 54.01 1riq n ASP 76 Cb 0.43 0.18 0.37 0.00 -0.02 0.00 0.00 41.12 42.08 1riq n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1riq h LEU 77 N 2.77 0.13 -1.16 0.64 5.85 -1.87 -0.32 115.31 121.35 1riq h LEU 77 Ca 0.00 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1riq h LEU 77 Cb 0.65 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1riq h LEU 77 CO 0.00 -0.20 0.57 1.05 -0.34 0.00 0.00 178.44 179.52 1riq h GLU 78 N 0.20 1.08 0.00 1.25 4.11 -1.95 -2.78 114.58 116.50 1riq h GLU 78 Ca 0.64 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 60.00 1riq h GLU 78 Cb 1.39 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1riq h GLU 78 CO -0.68 0.72 -0.25 1.96 0.07 0.00 0.00 179.01 180.83 1riq h GLN 79 N 1.12 0.00 -6.32 1.06 4.20 -1.42 -3.46 115.11 110.28 1riq h GLN 79 Ca 0.33 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.46 1riq h GLN 79 Cb -0.05 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.76 1riq h GLN 79 CO -0.09 0.00 1.14 0.28 -0.67 0.00 0.00 178.83 179.49 1riq n VAL 80 N -2.73 0.62 0.00 -0.54 0.31 -1.01 -1.41 118.33 113.56 1riq n VAL 80 Ca 0.04 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1riq n VAL 80 Cb 0.50 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1riq n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1riq n GLY 81 N 4.42 2.13 0.00 2.92 0.00 -1.26 -4.79 105.19 108.61 1riq n GLY 81 Ca 0.21 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1riq n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1riq n TYR 82 N 0.00 0.02 -4.39 1.61 4.01 -0.50 -4.33 117.16 113.57 1riq n TYR 82 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 1riq n TYR 82 Cb 0.00 -0.34 -0.10 0.00 -0.31 0.00 0.00 39.34 38.58 1riq n TYR 82 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1riq s THR 83 N -3.00 0.81 -1.88 -0.72 -4.23 -1.24 -5.05 115.64 100.32 1riq s THR 83 Ca 0.12 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.83 1riq s THR 83 Cb 0.18 -2.68 0.54 0.00 1.34 0.00 0.00 72.50 71.88 1riq s THR 83 CO 0.64 0.00 1.45 -1.54 -0.54 0.00 0.00 174.62 174.63 1riq n SER 84 N -0.64 3.66 0.00 3.99 3.41 -1.26 -4.40 113.62 118.38 1riq n SER 84 Ca -0.01 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1riq n SER 84 Cb 0.66 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1riq n SER 84 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1riq n ARG 85 N 1.42 3.84 -3.63 4.33 5.12 -1.26 -1.50 116.66 124.98 1riq n ARG 85 Ca 0.21 -0.12 -0.37 0.00 -1.93 0.00 0.00 57.85 55.64 1riq n ARG 85 Cb 0.58 -0.56 -0.06 0.00 -1.16 0.00 0.00 32.46 31.26 1riq n ARG 85 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1riq s HIS 86 N -0.58 3.60 0.09 -1.55 3.76 -1.26 -5.03 115.29 114.32 1riq s HIS 86 Ca 0.00 0.72 0.01 0.00 -0.15 0.00 0.00 55.06 55.64 1riq s HIS 86 Cb 0.00 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 1riq s HIS 86 CO 0.00 0.54 -0.06 -1.01 -0.85 0.00 0.00 174.74 173.37 1riq s HIS 87 N -0.56 0.83 -0.16 1.40 3.76 -1.26 -4.52 115.29 114.77 1riq s HIS 87 Ca 0.19 -0.95 -0.12 0.00 -0.15 0.00 0.00 55.06 54.03 1riq s HIS 87 Cb -0.14 -0.50 -0.05 0.00 1.11 0.00 0.00 32.58 33.00 1riq s HIS 87 CO 0.07 -0.20 -0.19 0.25 -0.85 0.00 0.00 174.74 173.83 1riq n THR 88 N -0.02 1.45 -3.74 1.30 -2.24 -1.26 -4.63 114.28 105.14 1riq n THR 88 Ca -0.12 0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 1riq n THR 88 Cb 0.61 -2.34 -0.06 0.00 -2.10 0.00 0.00 70.33 66.44 1riq n THR 88 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1riq s PHE 89 N -2.40 3.62 0.09 4.78 5.36 -1.26 -1.63 117.98 126.55 1riq s PHE 89 Ca -0.20 0.67 -0.26 0.00 -0.96 0.00 0.00 56.93 56.18 1riq s PHE 89 Cb 0.03 -2.08 0.08 0.00 -0.34 0.00 0.00 43.02 40.71 1riq s PHE 89 CO 0.30 0.66 0.80 -0.59 -1.46 0.00 0.00 175.22 174.94 1riq s PHE 90 N -0.90 -0.35 0.14 10.12 -0.12 -0.44 -4.93 117.98 121.49 1riq s PHE 90 Ca 0.17 0.14 0.02 0.00 -0.05 0.00 0.00 56.93 57.22 1riq s PHE 90 Cb -0.13 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.85 1riq s PHE 90 CO 0.07 -0.74 0.14 0.39 -0.05 0.00 0.00 175.22 175.03 1riq n GLU 91 N -0.34 1.13 -3.68 1.99 1.02 -1.26 -0.51 120.64 119.00 1riq n GLU 91 Ca -0.10 -0.85 -0.14 0.00 -0.02 0.00 0.00 57.16 56.05 1riq n GLU 91 Cb 0.62 0.03 -0.08 0.00 -0.02 0.00 0.00 31.44 31.99 1riq n GLU 91 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1riq s LEU 93 N 0.00 -0.19 0.03 -4.62 1.43 -1.26 -0.61 118.68 113.46 1riq s LEU 93 Ca 0.11 1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 54.14 1riq s LEU 93 Cb -0.01 1.96 0.05 0.00 0.03 0.00 0.00 46.19 48.22 1riq s LEU 93 CO 0.07 -0.20 0.51 -0.83 0.23 0.00 0.00 176.35 176.13 1riq s GLY 94 N 0.30 -0.40 -0.03 -3.19 0.00 -0.40 -3.93 107.32 99.67 1riq s GLY 94 Ca -0.00 0.61 0.05 0.00 0.00 0.00 0.00 44.72 45.38 1riq s GLY 94 CO 0.01 0.32 -0.18 0.54 0.00 0.00 0.00 173.10 173.79 1riq s ASN 95 N -1.85 2.19 0.03 1.64 2.20 -1.25 -1.91 114.94 115.99 1riq s ASN 95 Ca -0.06 -0.35 0.05 0.00 -0.94 0.00 0.00 52.86 51.55 1riq s ASN 95 Cb -0.01 -0.50 -0.02 0.00 -2.00 0.00 0.00 41.25 38.72 1riq s ASN 95 CO -0.00 0.18 -0.15 -0.36 -2.94 0.00 0.00 177.10 173.83 1riq s PHE 96 N -0.11 1.32 -0.08 1.54 0.08 0.96 -2.21 117.98 119.48 1riq s PHE 96 Ca -0.00 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.74 1riq s PHE 96 Cb -0.10 -0.80 0.01 0.00 -0.57 0.00 0.00 43.02 41.56 1riq s PHE 96 CO 0.01 0.03 -0.16 0.45 -0.10 0.00 0.00 175.22 175.46 1riq s SER 97 N -0.99 2.25 -0.77 1.36 0.15 -0.56 -1.30 113.70 113.83 1riq s SER 97 Ca 0.03 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.26 1riq s SER 97 Cb -0.08 -1.03 0.19 0.00 -1.71 0.00 0.00 66.02 63.40 1riq s SER 97 CO 0.01 0.06 0.63 -0.36 1.20 0.00 0.00 173.24 174.78 1riq s PHE 98 N 0.68 3.66 -0.80 3.44 0.08 -0.13 -1.70 117.98 123.21 1riq s PHE 98 Ca -0.13 -2.79 0.00 0.00 0.12 0.00 0.00 56.93 54.12 1riq s PHE 98 Cb -0.16 -3.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1riq s PHE 98 CO 0.04 -0.81 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 1riq n GLY 99 N 3.00 0.92 0.00 4.36 0.00 -1.18 -4.85 105.19 107.43 1riq n GLY 99 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1riq n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1riq n ASP 100 N -0.03 0.00 -4.78 1.61 2.03 -1.26 -4.87 116.55 109.26 1riq n ASP 100 Ca -0.08 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.93 1riq n ASP 100 Cb 0.33 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.83 1riq n ASP 100 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1riq s TYR 101 N 2.29 2.69 0.00 -0.67 -0.85 -1.26 -4.98 117.35 114.58 1riq s TYR 101 Ca 0.00 1.23 0.00 0.00 -0.52 0.00 0.00 57.07 57.78 1riq s TYR 101 Cb 0.00 -3.11 0.00 0.00 0.38 0.00 0.00 41.96 39.23 1riq s TYR 101 CO 0.00 -1.90 0.00 0.34 -1.52 0.00 0.00 175.55 172.47 1riq n PHE 102 N -3.54 0.00 0.08 -3.49 7.35 -1.26 -4.59 117.46 112.01 1riq n PHE 102 Ca 0.07 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.62 1riq n PHE 102 Cb 0.55 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.31 1riq n PHE 102 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1riq h LYS 103 N 0.00 -0.60 -0.36 -4.13 1.57 -1.97 -0.66 116.57 110.41 1riq h LYS 103 Ca 0.00 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1riq h LYS 103 Cb 0.00 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 1riq h LYS 103 CO 0.00 -0.40 -0.49 -0.22 -0.57 0.00 0.00 179.45 177.77 1riq h LYS 104 N -0.63 -0.38 -0.49 3.15 3.64 -1.97 0.14 116.57 120.03 1riq h LYS 104 Ca 0.03 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1riq h LYS 104 Cb 0.68 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1riq h LYS 104 CO -0.30 -0.25 0.16 0.93 -2.27 0.00 0.00 179.45 177.72 1riq h GLU 105 N -0.39 0.75 -0.56 1.90 3.07 -1.95 -1.03 114.58 116.38 1riq h GLU 105 Ca 0.10 -0.16 0.06 0.00 -0.50 0.00 0.00 59.36 58.86 1riq h GLU 105 Cb 0.60 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.35 1riq h GLU 105 CO -0.56 0.71 0.28 0.00 -1.40 0.00 0.00 179.01 178.03 1riq h ALA 106 N 1.01 0.72 -0.54 3.43 0.00 -0.48 -0.35 119.26 123.05 1riq h ALA 106 Ca 0.16 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1riq h ALA 106 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1riq h ALA 106 CO -0.01 -0.08 -0.13 0.82 0.00 0.00 0.00 179.25 179.86 1riq h ILE 107 N 0.52 1.27 -0.64 0.00 2.04 -0.51 -2.29 117.51 117.90 1riq h ILE 107 Ca 0.25 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1riq h ILE 107 Cb 0.18 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1riq h ILE 107 CO -0.19 0.46 0.21 -0.33 0.00 0.00 0.00 178.15 178.30 1riq h GLU 108 N 0.91 0.99 -0.34 2.37 5.08 -0.65 -0.99 114.58 121.96 1riq h GLU 108 Ca 0.14 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1riq h GLU 108 Cb 0.70 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1riq h GLU 108 CO 0.05 0.87 -0.02 1.88 -1.00 0.00 0.00 179.01 180.79 1riq h TYR 109 N 0.92 0.68 -0.35 4.33 0.05 -1.03 -0.46 116.97 121.11 1riq h TYR 109 Ca 0.21 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 1riq h TYR 109 Cb 0.28 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1riq h TYR 109 CO 0.02 0.74 0.09 0.00 -1.05 0.00 0.00 178.16 177.96 1riq h ALA 110 N 0.84 0.46 -0.58 3.88 0.00 -1.32 -0.56 119.26 121.97 1riq h ALA 110 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1riq h ALA 110 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1riq h ALA 110 CO 0.02 0.13 0.30 2.35 0.00 0.00 0.00 179.25 182.05 1riq h TRP 111 N 0.42 0.82 0.00 0.00 2.91 -1.13 -1.59 115.95 117.38 1riq h TRP 111 Ca 0.11 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 1riq h TRP 111 Cb 0.29 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1riq h TRP 111 CO 0.01 0.61 -0.00 1.49 -1.03 0.00 0.00 178.44 179.53 1riq h GLU 112 N 0.79 -0.00 -0.24 2.65 4.81 -0.85 -1.56 114.58 120.18 1riq h GLU 112 Ca 0.20 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1riq h GLU 112 Cb 0.08 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1riq h GLU 112 CO -0.03 0.08 0.08 0.35 -0.73 0.00 0.00 179.01 178.76 1riq h PHE 113 N -0.08 0.14 -0.55 0.92 3.57 -0.89 0.12 116.94 120.18 1riq h PHE 113 Ca -0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1riq h PHE 113 Cb 0.08 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1riq h PHE 113 CO -0.05 0.07 0.19 0.28 -2.23 0.00 0.00 178.31 176.56 1riq h VAL 114 N 0.19 1.23 0.03 1.41 2.07 -1.23 0.07 116.25 120.01 1riq h VAL 114 Ca 0.10 -0.76 -0.30 0.00 0.82 0.00 0.00 66.70 66.56 1riq h VAL 114 Cb 0.07 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1riq h VAL 114 CO -0.11 0.29 -1.74 0.71 0.02 0.00 0.00 177.57 176.73 1riq h THR 115 N 0.76 0.83 0.00 2.57 1.35 -1.19 -1.63 112.91 115.61 1riq h THR 115 Ca 0.18 -2.65 -0.01 0.00 -0.55 0.00 0.00 66.41 63.38 1riq h THR 115 Cb 0.25 2.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1riq h THR 115 CO -0.01 0.59 -1.91 -0.62 -0.25 0.00 0.00 175.52 173.32 1riq n GLU 116 N -3.15 0.60 -0.06 4.72 -0.58 0.42 -3.58 120.64 119.02 1riq n GLU 116 Ca -0.19 -0.18 -0.11 0.00 -0.42 0.00 0.00 57.16 56.25 1riq n GLU 116 Cb 1.05 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 30.41 1riq n GLU 116 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1riq n VAL 117 N -2.20 1.23 0.24 2.62 0.31 -0.64 -4.55 118.33 115.33 1riq n VAL 117 Ca -0.04 0.03 0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1riq n VAL 117 Cb 0.52 -1.94 0.48 0.00 -0.91 0.00 0.00 33.84 32.00 1riq n VAL 117 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1riq h LEU 118 N -0.64 0.00 1.30 7.52 3.38 -1.12 -3.47 115.31 122.27 1riq h LEU 118 Ca -0.19 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.51 1riq h LEU 118 Cb 0.96 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.72 1riq h LEU 118 CO -0.12 0.13 -0.37 0.29 0.09 0.00 0.00 178.44 178.46 1riq n LYS 119 N -3.24 -2.04 -2.75 1.13 4.76 -1.05 -4.99 118.16 109.98 1riq n LYS 119 Ca 0.01 0.64 -0.41 0.00 -2.87 0.00 0.00 58.31 55.68 1riq n LYS 119 Cb 0.41 -4.88 -0.05 0.00 -1.84 0.00 0.00 35.03 28.67 1riq n LYS 119 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1riq s LEU 120 N -4.22 4.55 0.27 -0.35 1.43 -0.64 -4.99 118.68 114.73 1riq s LEU 120 Ca 0.09 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 1riq s LEU 120 Cb -0.04 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.49 1riq s LEU 120 CO 0.11 0.02 1.59 -2.16 0.23 0.00 0.00 176.35 176.14 1riq s PRO 121 N -0.42 4.15 0.37 1.29 0.04 -1.26 -4.41 135.00 134.76 1riq s PRO 121 Ca 0.44 2.54 0.07 0.00 0.04 0.00 0.00 61.00 64.09 1riq s PRO 121 Cb -0.24 -3.05 0.71 0.00 0.04 0.00 0.00 34.50 31.96 1riq s PRO 121 CO 0.30 -0.62 1.90 1.57 0.04 0.00 0.00 177.00 180.19 1riq h LYS 122 N 5.29 0.36 0.00 4.56 2.10 -1.94 -2.66 116.57 124.28 1riq h LYS 122 Ca -0.46 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1riq h LYS 122 Cb 1.22 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1riq h LYS 122 CO 0.82 0.45 0.00 1.05 -2.00 0.00 0.00 179.45 179.77 1riq h GLU 123 N 0.35 0.00 -0.64 0.07 9.09 -2.03 -2.22 114.58 119.19 1riq h GLU 123 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 1riq h GLU 123 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 1riq h GLU 123 CO 0.02 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.71 1riq n LYS 124 N -2.60 2.71 -4.23 1.06 4.76 -1.00 -4.92 118.16 113.94 1riq n LYS 124 Ca 0.02 -2.35 -0.33 0.00 -2.87 0.00 0.00 58.31 52.77 1riq n LYS 124 Cb 0.26 -1.58 -0.08 0.00 -1.84 0.00 0.00 35.03 31.79 1riq n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1riq s LEU 125 N -1.17 3.64 0.08 -0.35 1.43 -0.84 0.23 118.68 121.70 1riq s LEU 125 Ca 0.43 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1riq s LEU 125 Cb 0.24 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1riq s LEU 125 CO 0.27 0.29 -0.07 -0.31 0.23 0.00 0.00 176.35 176.76 1riq s TYR 126 N -1.10 0.83 0.03 0.29 2.02 -0.25 -4.94 117.35 114.23 1riq s TYR 126 Ca 0.20 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 1riq s TYR 126 Cb -0.12 -0.48 -0.02 0.00 -0.40 0.00 0.00 41.96 40.94 1riq s TYR 126 CO 0.10 -0.11 -0.04 0.14 -1.57 0.00 0.00 175.55 174.07 1riq s VAL 127 N -2.70 0.21 0.09 0.71 -7.23 -0.99 0.17 120.40 110.66 1riq s VAL 127 Ca 0.03 -0.99 0.10 0.00 -1.81 0.00 0.00 61.98 59.31 1riq s VAL 127 Cb -0.01 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 1riq s VAL 127 CO -0.02 -0.50 -0.26 -0.94 -0.31 0.00 0.00 175.10 173.06 1riq s SER 128 N -1.56 3.17 0.10 4.85 1.04 -0.31 -0.73 113.70 120.26 1riq s SER 128 Ca -0.14 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.60 1riq s SER 128 Cb -0.09 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 1riq s SER 128 CO -0.01 0.21 0.06 0.68 0.98 0.00 0.00 173.24 175.15 1riq s VAL 129 N -0.95 0.15 0.18 5.02 -7.23 -0.27 -2.48 120.40 114.83 1riq s VAL 129 Ca 0.12 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 1riq s VAL 129 Cb -0.10 -1.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.04 1riq s VAL 129 CO 0.04 -0.69 1.25 -0.47 -0.31 0.00 0.00 175.10 174.92 1riq s TYR 130 N -3.96 3.35 0.43 2.82 5.04 -1.24 -1.28 117.35 122.51 1riq s TYR 130 Ca 0.14 1.33 0.22 0.00 -2.44 0.00 0.00 57.07 56.32 1riq s TYR 130 Cb 0.07 -3.51 1.21 0.00 0.35 0.00 0.00 41.96 40.08 1riq s TYR 130 CO -0.05 -1.51 1.78 1.57 -1.34 0.00 0.00 175.55 176.01 1riq h LYS 131 N 5.38 0.29 -0.02 4.97 2.10 -1.20 0.47 116.57 128.57 1riq h LYS 131 Ca -0.44 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1riq h LYS 131 Cb 1.21 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1riq h LYS 131 CO 0.76 0.19 -0.07 -0.25 -2.00 0.00 0.00 179.45 178.08 1riq n ASP 132 N -4.53 1.94 -4.23 7.07 8.00 -1.26 -4.61 116.55 118.93 1riq n ASP 132 Ca 0.25 -1.58 -0.43 0.00 0.71 0.00 0.00 54.79 53.74 1riq n ASP 132 Cb 0.95 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1riq n ASP 132 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1riq n ASP 133 N 0.42 4.96 0.09 -2.24 -0.08 0.16 -4.74 116.55 115.11 1riq n ASP 133 Ca 0.16 -2.99 0.03 0.00 -1.51 0.00 0.00 54.79 50.48 1riq n ASP 133 Cb 0.44 -1.59 0.41 0.00 2.34 0.00 0.00 41.12 42.71 1riq n ASP 133 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1riq h GLU 134 N 6.70 0.33 -0.14 -0.67 5.08 -1.81 -2.50 114.58 121.56 1riq h GLU 134 Ca 0.40 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1riq h GLU 134 Cb 0.78 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1riq h GLU 134 CO 1.47 0.36 0.06 1.49 -1.00 0.00 0.00 179.01 181.39 1riq h GLU 135 N 0.32 0.13 -0.54 2.33 4.57 -1.96 -1.42 114.58 118.01 1riq h GLU 135 Ca 0.07 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1riq h GLU 135 Cb 0.23 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1riq h GLU 135 CO 0.01 0.09 0.15 0.00 -1.18 0.00 0.00 179.01 178.07 1riq h ALA 136 N 1.08 0.71 0.00 2.92 0.00 -1.86 -2.39 119.26 119.71 1riq h ALA 136 Ca 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1riq h ALA 136 Cb 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1riq h ALA 136 CO -0.05 0.39 -0.19 -0.92 0.00 0.00 0.00 179.25 178.48 1riq h TYR 137 N 0.75 -0.49 -0.79 0.00 3.20 -1.20 -1.75 116.97 116.70 1riq h TYR 137 Ca 0.17 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1riq h TYR 137 Cb 0.31 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1riq h TYR 137 CO 0.02 -0.27 0.49 -0.09 -1.64 0.00 0.00 178.16 176.67 1riq h ARG 138 N -0.30 0.90 -0.01 1.82 2.43 -1.18 0.23 114.38 118.26 1riq h ARG 138 Ca 0.06 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1riq h ARG 138 Cb 0.38 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1riq h ARG 138 CO -0.17 0.59 0.00 0.82 -1.51 0.00 0.00 179.97 179.70 1riq h ILE 139 N 0.92 1.10 -0.05 1.20 2.04 -1.15 0.20 117.51 121.78 1riq h ILE 139 Ca 0.33 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1riq h ILE 139 Cb 0.10 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1riq h ILE 139 CO -0.15 0.08 0.02 -0.50 0.00 0.00 0.00 178.15 177.61 1riq h TRP 140 N -0.10 0.06 -0.16 1.37 -0.00 -0.96 0.19 115.95 116.35 1riq h TRP 140 Ca 0.00 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.75 1riq h TRP 140 Cb 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.26 1riq h TRP 140 CO -0.04 0.13 -0.46 -0.97 -0.00 0.00 0.00 178.44 177.10 1riq h ASN 141 N -0.02 0.68 0.00 -3.49 -1.24 -0.52 -0.78 115.58 110.21 1riq h ASN 141 Ca 0.02 -0.59 -0.43 0.00 0.71 0.00 0.00 56.30 56.01 1riq h ASN 141 Cb 0.09 -0.20 -0.07 0.00 0.73 0.00 0.00 38.32 38.87 1riq h ASN 141 CO -0.00 1.15 -2.45 -0.62 -1.29 0.00 0.00 177.43 174.22 1riq n GLU 142 N -4.22 0.62 -0.02 6.67 1.02 0.69 -3.32 120.64 122.08 1riq n GLU 142 Ca -0.07 0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1riq n GLU 142 Cb 0.57 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 1riq n GLU 142 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1riq h HIS 143 N -0.61 -0.05 0.07 -0.32 2.76 -1.16 -3.32 115.15 112.51 1riq h HIS 143 Ca -0.64 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.29 1riq h HIS 143 Cb 1.72 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.69 1riq h HIS 143 CO -0.03 0.58 -1.11 0.82 -1.30 0.00 0.00 177.93 176.88 1riq h ILE 144 N -0.78 1.56 0.00 6.26 1.08 -0.70 -3.48 117.51 121.45 1riq h ILE 144 Ca -0.01 -3.09 0.00 0.00 -0.39 0.00 0.00 64.86 61.37 1riq h ILE 144 Cb 0.66 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 1riq h ILE 144 CO 0.01 0.90 0.00 0.61 -0.69 0.00 0.00 178.15 178.98 1riq n GLY 145 N 1.37 0.88 3.69 5.37 0.00 -0.59 -5.01 105.19 110.91 1riq n GLY 145 Ca -0.05 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1riq n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1riq s ILE 146 N -2.00 3.28 0.50 -0.61 -1.09 -0.40 -4.95 121.20 115.93 1riq s ILE 146 Ca 0.00 0.73 -0.23 0.00 -2.23 0.00 0.00 60.65 58.92 1riq s ILE 146 Cb 0.00 -3.47 -0.07 0.00 -1.58 0.00 0.00 42.46 37.35 1riq s ILE 146 CO 0.00 0.00 1.39 -2.65 -1.23 0.00 0.00 174.94 172.45 1riq n PRO 147 N 5.37 1.94 -0.15 2.79 -0.02 -1.26 -4.26 135.00 139.40 1riq n PRO 147 Ca 0.15 0.70 0.21 0.00 -2.02 0.00 0.00 63.50 62.54 1riq n PRO 147 Cb 0.42 -2.59 0.60 0.00 -0.02 0.00 0.00 33.50 31.91 1riq n PRO 147 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1riq h SER 148 N 1.82 0.21 -0.07 2.55 4.64 -1.92 -0.55 113.55 120.22 1riq h SER 148 Ca -0.51 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1riq h SER 148 Cb 1.29 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1riq h SER 148 CO 0.59 0.09 0.07 -0.33 -0.87 0.00 0.00 176.83 176.38 1riq h GLU 149 N 0.21 0.00 -0.52 4.77 3.07 -2.03 -1.60 114.58 118.48 1riq h GLU 149 Ca 0.39 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.18 1riq h GLU 149 Cb 1.20 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.07 1riq h GLU 149 CO -0.08 0.00 0.07 0.54 -1.40 0.00 0.00 179.01 178.14 1riq n ARG 150 N -4.10 3.92 -4.22 2.33 1.74 -0.22 -4.88 116.66 111.23 1riq n ARG 150 Ca -0.01 -3.07 -0.32 0.00 -0.77 0.00 0.00 57.85 53.68 1riq n ARG 150 Cb 0.17 -2.12 -0.16 0.00 -1.02 0.00 0.00 32.46 29.32 1riq n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1riq s ILE 151 N -2.88 1.98 -0.15 0.55 1.01 -0.60 -2.34 121.20 118.78 1riq s ILE 151 Ca 0.51 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 1riq s ILE 151 Cb 0.40 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1riq s ILE 151 CO 0.13 0.53 0.07 0.26 0.00 0.00 0.00 174.94 175.92 1riq s TRP 152 N 1.22 3.30 -0.37 3.97 0.51 0.10 -4.99 118.94 122.69 1riq s TRP 152 Ca 0.02 0.19 -0.11 0.00 -2.12 0.00 0.00 56.10 54.09 1riq s TRP 152 Cb -0.13 -1.99 0.02 0.00 -0.81 0.00 0.00 33.47 30.56 1riq s TRP 152 CO -0.10 0.34 0.21 1.03 -0.51 0.00 0.00 176.95 177.91 1riq s ARG 153 N -0.18 2.92 0.40 4.98 0.52 -1.26 -1.12 118.95 125.21 1riq s ARG 153 Ca 0.08 -1.02 0.08 0.00 -0.52 0.00 0.00 55.73 54.34 1riq s ARG 153 Cb -0.12 -3.72 -0.07 0.00 0.52 0.00 0.00 34.95 31.56 1riq s ARG 153 CO 0.01 -0.66 0.06 -0.51 0.02 0.00 0.00 175.30 174.23 1riq s LEU 154 N 1.57 2.97 0.00 2.53 1.43 -0.40 -4.70 118.68 122.08 1riq s LEU 154 Ca 0.03 -1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 51.81 1riq s LEU 154 Cb -0.19 -1.17 0.17 0.00 0.03 0.00 0.00 46.19 45.03 1riq s LEU 154 CO 0.07 -0.44 1.00 0.61 0.23 0.00 0.00 176.35 177.82 1riq n GLY 155 N -1.05 -1.37 0.37 -3.19 0.00 -1.26 -0.71 105.19 97.97 1riq n GLY 155 Ca -0.03 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.38 1riq n GLY 155 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1riq h GLU 156 N 0.00 0.80 0.00 1.61 5.08 -1.94 0.17 114.58 120.30 1riq h GLU 156 Ca -0.32 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1riq h GLU 156 Cb 0.90 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1riq h GLU 156 CO 0.23 0.53 -0.10 0.93 -1.00 0.00 0.00 179.01 179.60 1riq h GLU 157 N 0.82 0.00 0.00 2.33 4.39 -1.93 -2.89 114.58 117.30 1riq h GLU 157 Ca 0.50 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.90 1riq h GLU 157 Cb 0.69 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 1riq h GLU 157 CO -0.27 0.10 -2.16 -0.25 -1.16 0.00 0.00 179.01 175.27 1riq n ASP 158 N -3.38 2.36 -1.43 1.42 8.00 -0.22 -4.81 116.55 118.50 1riq n ASP 158 Ca -0.01 -0.11 -0.06 0.00 0.71 0.00 0.00 54.79 55.33 1riq n ASP 158 Cb 0.28 -0.28 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1riq n ASP 158 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1riq n ASN 159 N -3.08 2.80 -3.69 -2.24 3.02 0.43 -4.96 115.26 107.55 1riq n ASN 159 Ca -0.36 -3.46 -0.18 0.00 -0.03 0.00 0.00 54.58 50.55 1riq n ASN 159 Cb 0.89 -0.43 -0.17 0.00 -0.61 0.00 0.00 39.78 39.46 1riq n ASN 159 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1riq s PHE 160 N -3.07 -0.01 0.21 3.10 5.36 -1.09 -0.56 117.98 121.92 1riq s PHE 160 Ca 0.41 0.33 0.06 0.00 -0.96 0.00 0.00 56.93 56.77 1riq s PHE 160 Cb 0.38 -0.37 -0.04 0.00 -0.34 0.00 0.00 43.02 42.65 1riq s PHE 160 CO -0.04 -0.19 0.17 -0.46 -1.46 0.00 0.00 175.22 173.25 1riq s TRP 161 N 1.96 3.15 0.00 10.12 -0.00 0.32 -4.83 118.94 129.66 1riq s TRP 161 Ca 0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 56.10 56.06 1riq s TRP 161 Cb -0.12 -1.47 0.00 0.00 -0.00 0.00 0.00 33.47 31.88 1riq s TRP 161 CO -0.04 0.52 0.00 0.00 -0.00 0.00 0.00 176.95 177.43 1riq n GLN 162 N -0.77 0.00 0.00 5.86 10.64 -1.26 -1.65 117.38 130.20 1riq n GLN 162 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1riq n GLN 162 Cb 0.56 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.94 1riq n GLN 162 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1riq n GLY 164 N 0.00 -1.13 0.35 2.61 0.00 -1.26 -5.00 105.19 100.76 1riq n GLY 164 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.43 1riq n GLY 164 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1riq h ASP 165 N -0.06 0.88 -3.91 1.61 2.03 -1.97 -3.43 116.42 111.56 1riq h ASP 165 Ca 0.00 -0.02 -0.37 0.00 -0.73 0.00 0.00 57.03 55.91 1riq h ASP 165 Cb 0.00 -0.21 -0.14 0.00 -0.83 0.00 0.00 39.33 38.14 1riq h ASP 165 CO 0.00 0.62 -0.66 0.68 -1.03 0.00 0.00 179.24 178.85 1riq s VAL 166 N -5.87 1.02 0.00 4.15 -7.23 -1.26 -4.95 120.40 106.26 1riq s VAL 166 Ca -0.11 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 1riq s VAL 166 Cb 0.18 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1riq s VAL 166 CO 0.79 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1riq n GLY 167 N -0.39 -1.24 3.73 2.32 0.00 0.64 -4.90 105.19 105.34 1riq n GLY 167 Ca -0.05 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 1riq n GLY 167 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1riq n PRO 168 N 0.00 2.16 -3.83 1.61 -0.04 -1.26 -0.42 135.00 133.22 1riq n PRO 168 Ca 0.00 0.77 -0.06 0.00 -0.04 0.00 0.00 63.50 64.17 1riq n PRO 168 Cb 0.00 -2.50 0.01 0.00 -0.04 0.00 0.00 33.50 30.97 1riq n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1riq n GLY 170 N -0.57 -0.76 3.83 0.00 0.00 -0.66 -0.55 105.19 106.48 1riq n GLY 170 Ca -0.06 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1riq n GLY 170 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1riq s PRO 171 N -2.00 2.85 0.26 1.61 0.04 -1.24 -0.52 135.00 136.01 1riq s PRO 171 Ca 0.00 0.83 0.03 0.00 0.04 0.00 0.00 61.00 61.90 1riq s PRO 171 Cb 0.00 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1riq s PRO 171 CO 0.00 -1.12 0.02 -1.54 0.04 0.00 0.00 177.00 174.40 1riq s SER 172 N -3.91 1.93 -0.08 6.66 1.04 0.28 -1.60 113.70 118.01 1riq s SER 172 Ca 0.58 -1.28 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 1riq s SER 172 Cb -0.13 -0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.03 1riq s SER 172 CO 0.54 -0.56 0.17 -0.55 0.98 0.00 0.00 173.24 173.83 1riq s SER 173 N -3.36 0.07 0.11 7.02 0.15 0.12 -3.62 113.70 114.19 1riq s SER 173 Ca 0.32 0.36 0.06 0.00 0.70 0.00 0.00 55.95 57.39 1riq s SER 173 Cb 0.07 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1riq s SER 173 CO 0.11 -0.18 -0.05 -1.61 1.20 0.00 0.00 173.24 172.72 1riq s GLU 174 N 1.49 2.31 -0.13 5.44 2.02 -1.04 -0.51 118.70 128.29 1riq s GLU 174 Ca -0.06 -0.97 -0.02 0.00 0.02 0.00 0.00 54.97 53.94 1riq s GLU 174 Cb -0.12 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.70 1riq s GLU 174 CO -0.07 0.51 -0.08 0.42 0.02 0.00 0.00 175.26 176.07 1riq s ILE 175 N -1.33 3.57 0.10 -1.63 1.01 0.26 -1.16 121.20 122.01 1riq s ILE 175 Ca 0.24 -0.48 0.10 0.00 0.00 0.00 0.00 60.65 60.51 1riq s ILE 175 Cb -0.11 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1riq s ILE 175 CO 0.16 0.52 -0.26 -0.31 0.00 0.00 0.00 174.94 175.05 1riq s TYR 176 N 0.19 2.33 -0.14 3.97 2.02 0.13 -0.45 117.35 125.39 1riq s TYR 176 Ca -0.04 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1riq s TYR 176 Cb -0.14 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 1riq s TYR 176 CO 0.04 0.27 -0.10 0.08 -1.57 0.00 0.00 175.55 174.27 1riq s VAL 177 N -0.98 3.34 -0.57 0.71 1.01 -0.51 -1.09 120.40 122.31 1riq s VAL 177 Ca 0.13 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 1riq s VAL 177 Cb -0.10 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.89 1riq s VAL 177 CO 0.05 0.51 0.95 -0.62 0.00 0.00 0.00 175.10 175.99 1riq s ASP 178 N 0.41 6.30 0.00 3.32 -1.08 0.13 -1.45 116.67 124.31 1riq s ASP 178 Ca -0.08 -0.47 0.25 0.00 -0.52 0.00 0.00 52.55 51.73 1riq s ASP 178 Cb -0.15 -2.43 1.15 0.00 -1.46 0.00 0.00 42.92 40.02 1riq s ASP 178 CO 0.04 -1.27 1.83 0.54 0.52 0.00 0.00 175.17 176.83 1riq n ARG 179 N 7.53 0.12 0.00 4.34 1.74 0.48 -4.92 116.66 125.95 1riq n ARG 179 Ca 0.01 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1riq n ARG 179 Cb 0.47 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1riq n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1riq n GLY 180 N 1.03 2.74 0.39 -0.13 0.00 -1.26 -4.82 105.19 103.14 1riq n GLY 180 Ca 0.08 -1.99 0.20 0.00 0.00 0.00 0.00 46.02 44.31 1riq n GLY 180 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1riq h GLU 181 N 0.00 0.00 0.00 1.61 3.07 -1.97 -1.70 114.58 115.59 1riq h GLU 181 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1riq h GLU 181 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1riq h GLU 181 CO 0.00 0.00 0.00 -0.85 -1.40 0.00 0.00 179.01 176.76 1riq n GLU 182 N -3.55 0.43 -4.36 2.33 0.00 -1.26 -4.82 120.64 109.41 1riq n GLU 182 Ca 0.07 0.05 -0.26 0.00 0.00 0.00 0.00 57.16 57.02 1riq n GLU 182 Cb 0.66 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.51 1riq n GLU 182 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1riq s TYR 183 N -2.45 2.56 0.09 -1.84 2.02 -0.64 -5.09 117.35 112.00 1riq s TYR 183 Ca 0.26 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1riq s TYR 183 Cb 0.16 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1riq s TYR 183 CO 0.35 0.36 -0.13 -1.21 -1.57 0.00 0.00 175.55 173.34 1riq s GLU 184 N -3.78 0.89 2.84 -0.62 0.41 -1.26 -4.66 118.70 112.51 1riq s GLU 184 Ca 0.37 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 1riq s GLU 184 Cb 0.05 -0.80 0.00 0.00 -1.78 0.00 0.00 34.13 31.60 1riq s GLU 184 CO 0.20 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.54 1riq n GLY 185 N 0.89 2.50 0.03 -1.39 0.00 -1.26 -1.37 105.19 104.59 1riq n GLY 185 Ca -0.18 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.74 1riq n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1riq n ASP 186 N 1.04 0.12 0.07 1.61 5.68 -1.26 -1.21 116.55 122.60 1riq n ASP 186 Ca 0.00 0.54 -0.04 0.00 -0.50 0.00 0.00 54.79 54.79 1riq n ASP 186 Cb 0.00 -0.56 -0.08 0.00 -1.14 0.00 0.00 41.12 39.34 1riq n ASP 186 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1riq h GLU 187 N 0.00 0.00 0.08 0.11 4.39 -1.63 -3.25 114.58 114.28 1riq h GLU 187 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1riq h GLU 187 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1riq h GLU 187 CO 0.00 0.70 -0.78 -0.09 -1.16 0.00 0.00 179.01 177.68 1riq h ARG 188 N 0.00 0.18 -3.65 2.33 2.43 -0.76 -3.39 114.38 111.52 1riq h ARG 188 Ca -0.06 -0.30 -0.79 0.00 -0.81 0.00 0.00 59.98 58.01 1riq h ARG 188 Cb 1.67 0.11 -0.27 0.00 -0.42 0.00 0.00 29.97 31.05 1riq h ARG 188 CO 0.09 1.14 0.32 0.71 -1.51 0.00 0.00 179.97 180.72 1riq s TYR 189 N -2.38 4.09 -0.28 2.20 2.02 -0.48 -0.39 117.35 122.14 1riq s TYR 189 Ca -0.18 -2.46 -0.29 0.00 -0.37 0.00 0.00 57.07 53.77 1riq s TYR 189 Cb 0.01 -3.82 0.01 0.00 -0.40 0.00 0.00 41.96 37.76 1riq s TYR 189 CO 0.75 -0.96 1.09 -1.17 -1.57 0.00 0.00 175.55 173.69 1riq s LEU 190 N -0.78 4.00 0.05 -1.29 2.96 -0.53 -4.56 118.68 118.54 1riq s LEU 190 Ca 0.26 1.22 -0.31 0.00 -0.22 0.00 0.00 54.13 55.08 1riq s LEU 190 Cb -0.10 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 1riq s LEU 190 CO -0.08 -0.81 1.60 -0.70 -1.32 0.00 0.00 176.35 175.03 1riq s GLU 191 N 3.51 4.22 -0.00 1.98 2.12 -1.26 -1.43 118.70 127.84 1riq s GLU 191 Ca 0.46 2.25 0.03 0.00 0.36 0.00 0.00 54.97 58.07 1riq s GLU 191 Cb -0.14 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1riq s GLU 191 CO 0.12 -0.70 0.10 0.44 -0.54 0.00 0.00 175.26 174.68 1riq n ILE 192 N 4.71 0.00 -3.67 -3.70 -5.35 0.41 -4.97 119.36 106.79 1riq n ILE 192 Ca 0.15 -0.21 -0.09 0.00 -0.27 0.00 0.00 62.75 62.33 1riq n ILE 192 Cb 0.41 0.65 -0.09 0.00 -1.74 0.00 0.00 39.64 38.87 1riq n ILE 192 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1riq s TRP 193 N -1.85 -0.78 -0.18 4.28 -0.11 -1.19 -4.18 118.94 114.92 1riq s TRP 193 Ca -0.00 1.62 -0.01 0.00 1.22 0.00 0.00 56.10 58.92 1riq s TRP 193 Cb 0.02 0.41 -0.01 0.00 -1.50 0.00 0.00 33.47 32.40 1riq s TRP 193 CO 0.13 -0.41 -0.11 1.21 -4.62 0.00 0.00 176.95 173.15 1riq s ASN 194 N 1.48 3.97 -0.25 5.86 2.47 -0.63 -0.57 114.94 127.27 1riq s ASN 194 Ca -0.10 -0.41 -0.04 0.00 0.42 0.00 0.00 52.86 52.73 1riq s ASN 194 Cb -0.07 -1.64 0.00 0.00 -1.45 0.00 0.00 41.25 38.09 1riq s ASN 194 CO -0.15 0.06 -0.01 -0.76 -3.72 0.00 0.00 177.10 172.52 1riq s LEU 195 N 0.98 3.21 -0.22 3.21 1.43 0.34 -1.51 118.68 126.12 1riq s LEU 195 Ca -0.01 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1riq s LEU 195 Cb -0.15 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1riq s LEU 195 CO -0.01 -0.08 0.11 -0.69 0.23 0.00 0.00 176.35 175.90 1riq s VAL 196 N 1.46 4.98 0.00 -1.59 1.01 0.11 -0.70 120.40 125.68 1riq s VAL 196 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1riq s VAL 196 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1riq s VAL 196 CO -0.02 0.39 0.00 0.49 0.00 0.00 0.00 175.10 175.97 1riq n PHE 197 N 4.06 0.00 0.00 5.22 3.72 -0.63 -1.97 117.46 127.87 1riq n PHE 197 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1riq n PHE 197 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1riq n PHE 197 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1riq n GLN 199 N 0.00 0.00 -4.63 -1.08 7.27 -0.62 -3.63 117.38 114.69 1riq n GLN 199 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 1riq n GLN 199 Cb 0.00 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.56 1riq n GLN 199 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1riq s TYR 200 N 0.00 2.13 -0.09 3.69 2.02 0.29 -0.64 117.35 124.75 1riq s TYR 200 Ca 0.00 -0.88 0.02 0.00 -0.37 0.00 0.00 57.07 55.83 1riq s TYR 200 Cb 0.00 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1riq s TYR 200 CO 0.00 0.22 -0.12 1.21 -1.57 0.00 0.00 175.55 175.29 1riq s ASN 201 N -3.72 2.06 -0.31 2.29 3.84 0.71 -1.17 114.94 118.64 1riq s ASN 201 Ca 0.24 -0.34 -0.13 0.00 0.21 0.00 0.00 52.86 52.84 1riq s ASN 201 Cb 0.06 -0.91 -0.03 0.00 -0.55 0.00 0.00 41.25 39.82 1riq s ASN 201 CO 0.12 -0.00 0.27 -0.60 -2.79 0.00 0.00 177.10 174.10 1riq s ARG 202 N 0.96 3.74 1.02 0.43 3.52 0.44 -1.87 118.95 127.19 1riq s ARG 202 Ca -0.08 -0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 54.97 1riq s ARG 202 Cb -0.15 -3.74 0.22 0.00 -1.56 0.00 0.00 34.95 29.73 1riq s ARG 202 CO -0.00 -0.35 1.28 0.16 -0.81 0.00 0.00 175.30 175.57 1riq s ASP 203 N 1.72 2.60 0.00 -2.12 1.47 -0.61 -0.26 116.67 119.48 1riq s ASP 203 Ca 0.09 0.34 0.04 0.00 1.18 0.00 0.00 52.55 54.21 1riq s ASP 203 Cb -0.16 -0.42 0.19 0.00 -0.34 0.00 0.00 42.92 42.18 1riq s ASP 203 CO 0.11 -3.06 1.09 -1.84 0.68 0.00 0.00 175.17 172.15 1riq n GLU 204 N -4.00 0.02 -0.02 2.11 0.28 -1.26 -1.26 120.64 116.51 1riq n GLU 204 Ca 0.15 0.38 0.09 0.00 -0.16 0.00 0.00 57.16 57.62 1riq n GLU 204 Cb 0.59 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 32.05 1riq n GLU 204 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1riq n ASN 205 N -1.45 2.52 0.00 -1.84 3.02 -1.26 -4.97 115.26 111.29 1riq n ASN 205 Ca 0.01 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1riq n ASN 205 Cb 0.05 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1riq n ASN 205 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1riq n GLY 206 N 0.98 0.74 3.73 7.41 0.00 -0.39 -5.05 105.19 112.62 1riq n GLY 206 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1riq n GLY 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1riq s VAL 207 N -2.60 4.89 -0.07 1.61 1.01 -1.26 -4.78 120.40 119.19 1riq s VAL 207 Ca 0.00 1.54 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 1riq s VAL 207 Cb 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1riq s VAL 207 CO 0.00 0.31 0.31 -0.76 0.00 0.00 0.00 175.10 174.97 1riq s LEU 208 N 0.34 4.40 0.01 3.92 1.02 -1.26 -1.57 118.68 125.54 1riq s LEU 208 Ca 0.38 0.73 0.02 0.00 0.02 0.00 0.00 54.13 55.28 1riq s LEU 208 Cb -0.19 -2.41 -0.01 0.00 0.02 0.00 0.00 46.19 43.60 1riq s LEU 208 CO 0.21 0.29 -0.05 0.42 0.02 0.00 0.00 176.35 177.24 1riq s THR 209 N -0.71 0.39 0.36 5.49 -4.23 -0.78 -4.94 115.64 111.22 1riq s THR 209 Ca 0.20 -0.54 -0.28 0.00 -1.18 0.00 0.00 61.69 59.89 1riq s THR 209 Cb -0.15 -0.40 -0.10 0.00 1.34 0.00 0.00 72.50 73.20 1riq s THR 209 CO 0.09 -0.11 1.27 -2.84 -0.54 0.00 0.00 174.62 172.49 1riq s PRO 210 N -0.70 4.23 0.29 3.99 0.02 -1.26 -0.21 135.00 141.37 1riq s PRO 210 Ca -0.04 2.13 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 1riq s PRO 210 Cb -0.05 -2.95 -0.09 0.00 0.02 0.00 0.00 34.50 31.43 1riq s PRO 210 CO -0.00 -0.26 1.08 -0.51 -0.33 0.00 0.00 177.00 176.98 1riq s LEU 211 N -2.03 4.50 0.45 -5.54 1.43 0.19 -4.80 118.68 112.89 1riq s LEU 211 Ca 0.52 2.21 0.16 0.00 -1.03 0.00 0.00 54.13 55.98 1riq s LEU 211 Cb -0.38 -3.70 1.04 0.00 0.03 0.00 0.00 46.19 43.18 1riq s LEU 211 CO 0.49 -0.16 2.00 1.55 0.23 0.00 0.00 176.35 180.46 1riq h PRO 212 N 3.66 0.00 -3.00 1.29 0.13 -1.94 -3.34 132.00 128.80 1riq h PRO 212 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 1riq h PRO 212 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 1riq h PRO 212 CO 0.66 0.18 -0.74 -1.01 -0.23 0.00 0.00 178.00 176.86 1riq s HIS 213 N -4.60 1.99 0.66 1.56 3.76 -1.26 -5.12 115.29 112.27 1riq s HIS 213 Ca -0.04 -2.42 -0.18 0.00 -0.15 0.00 0.00 55.06 52.27 1riq s HIS 213 Cb 0.16 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 1riq s HIS 213 CO 0.69 -0.78 1.28 -1.25 -0.85 0.00 0.00 174.74 173.82 1riq s PRO 214 N 0.37 2.52 0.34 8.40 0.04 -1.26 -4.39 135.00 141.02 1riq s PRO 214 Ca 0.17 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.31 1riq s PRO 214 Cb -0.25 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1riq s PRO 214 CO 0.00 -1.61 -0.09 -0.80 0.04 0.00 0.00 177.00 174.55 1riq s ASN 215 N -1.49 3.57 -0.01 6.66 0.01 -1.26 -3.11 114.94 119.30 1riq s ASN 215 Ca 0.81 -1.20 0.06 0.00 -0.71 0.00 0.00 52.86 51.81 1riq s ASN 215 Cb -0.36 -0.32 -0.01 0.00 0.41 0.00 0.00 41.25 40.97 1riq s ASN 215 CO 0.40 -0.24 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.94 1riq s ILE 216 N -2.68 1.42 -0.08 0.60 -1.09 -0.69 -4.54 121.20 114.13 1riq s ILE 216 Ca 0.32 -0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 57.93 1riq s ILE 216 Cb 0.03 -1.18 0.04 0.00 -1.58 0.00 0.00 42.46 39.77 1riq s ILE 216 CO 0.16 0.39 0.18 -0.62 -1.23 0.00 0.00 174.94 173.82 1riq s ASP 217 N -0.45 0.04 0.17 3.58 3.68 -0.83 -1.50 116.67 121.37 1riq s ASP 217 Ca 0.07 0.39 0.06 0.00 2.13 0.00 0.00 52.55 55.20 1riq s ASP 217 Cb -0.07 0.30 -0.05 0.00 -1.45 0.00 0.00 42.92 41.66 1riq s ASP 217 CO -0.01 -0.18 -0.12 0.42 0.13 0.00 0.00 175.17 175.41 1riq s THR 218 N 1.50 1.44 0.30 1.71 -4.23 -0.94 0.09 115.64 115.51 1riq s THR 218 Ca -0.06 -2.13 -0.11 0.00 -1.18 0.00 0.00 61.69 58.20 1riq s THR 218 Cb -0.11 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1riq s THR 218 CO -0.07 -0.67 0.55 -0.83 -0.54 0.00 0.00 174.62 173.06 1riq s GLY 219 N -3.23 0.70 -0.08 3.99 0.00 -0.57 -3.97 107.32 104.16 1riq s GLY 219 Ca 0.19 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 1riq s GLY 219 CO 0.03 -0.63 -0.05 -0.32 0.00 0.00 0.00 173.10 172.14 1riq s GLY 221 N -3.07 0.62 0.06 0.20 0.00 -1.26 -1.60 107.32 102.26 1riq s GLY 221 Ca 0.22 -0.28 -0.24 0.00 0.00 0.00 0.00 44.72 44.42 1riq s GLY 221 CO 0.12 0.78 1.59 -2.00 0.00 0.00 0.00 173.10 173.60 1riq h LEU 222 N 7.91 -0.04 -0.67 0.66 5.85 -1.26 -2.36 115.31 125.41 1riq h LEU 222 Ca -0.28 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.37 1riq h LEU 222 Cb 1.14 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 1riq h LEU 222 CO 0.37 0.11 0.36 -0.33 -0.34 0.00 0.00 178.44 178.62 1riq h GLU 223 N -0.18 0.64 -0.24 1.25 3.07 -1.97 -1.49 114.58 115.65 1riq h GLU 223 Ca -0.00 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1riq h GLU 223 Cb 0.17 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1riq h GLU 223 CO 0.01 0.42 0.07 -0.09 -1.40 0.00 0.00 179.01 178.02 1riq h ARG 224 N 0.66 0.38 -0.16 2.33 2.43 -1.92 -2.26 114.38 115.84 1riq h ARG 224 Ca 0.31 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1riq h ARG 224 Cb 0.22 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1riq h ARG 224 CO -0.20 0.47 -0.24 0.97 -1.51 0.00 0.00 179.97 179.45 1riq h ILE 225 N 0.23 1.24 -0.74 1.20 6.09 -1.24 -2.67 117.51 121.61 1riq h ILE 225 Ca 0.08 -1.13 -0.05 0.00 -1.37 0.00 0.00 64.86 62.39 1riq h ILE 225 Cb 0.25 1.39 -0.03 0.00 0.47 0.00 0.00 36.82 38.90 1riq h ILE 225 CO -0.00 0.35 0.27 0.00 -3.07 0.00 0.00 178.15 175.70 1riq h ALA 226 N 1.49 0.97 -0.08 0.18 0.00 -1.05 -2.31 119.26 118.46 1riq h ALA 226 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1riq h ALA 226 Cb 0.58 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1riq h ALA 226 CO 0.04 0.62 -0.09 0.66 0.00 0.00 0.00 179.25 180.48 1riq h SER 227 N 1.08 0.10 0.17 0.00 4.64 -1.06 -0.40 113.55 118.08 1riq h SER 227 Ca 0.24 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1riq h SER 227 Cb 0.25 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1riq h SER 227 CO -0.02 0.21 -0.08 0.58 -0.87 0.00 0.00 176.83 176.65 1riq h VAL 228 N 0.11 0.92 -0.05 0.95 2.07 -1.33 0.01 116.25 118.93 1riq h VAL 228 Ca 0.02 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1riq h VAL 228 Cb 0.23 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1riq h VAL 228 CO 0.01 0.21 -0.10 -0.07 0.02 0.00 0.00 177.57 177.64 1riq h LEU 229 N -0.76 0.07 -1.11 2.57 3.38 -1.25 -2.31 115.31 115.91 1riq h LEU 229 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1riq h LEU 229 Cb 0.52 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1riq h LEU 229 CO 0.04 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.75 1riq n GLN 230 N -4.37 1.73 -2.98 1.13 6.02 -0.18 -4.76 117.38 113.98 1riq n GLN 230 Ca -0.02 -1.10 -0.18 0.00 -0.01 0.00 0.00 57.00 55.69 1riq n GLN 230 Cb 0.20 -1.42 0.04 0.00 1.02 0.00 0.00 30.24 30.08 1riq n GLN 230 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1riq n GLY 231 N 1.15 -0.26 3.84 1.08 0.00 -0.87 -5.03 105.19 105.10 1riq n GLY 231 Ca 0.17 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1riq n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1riq s LYS 232 N -5.59 2.97 -0.24 1.61 -0.14 -0.05 -5.02 119.74 113.28 1riq s LYS 232 Ca 0.29 -1.03 0.13 0.00 -1.36 0.00 0.00 55.97 54.00 1riq s LYS 232 Cb -0.13 -2.60 0.55 0.00 -1.68 0.00 0.00 37.83 33.97 1riq s LYS 232 CO 0.36 0.39 1.50 -1.71 -0.76 0.00 0.00 175.35 175.13 1riq n ASN 233 N -1.21 3.51 -3.59 2.83 5.15 -1.26 -4.59 115.26 116.10 1riq n ASN 233 Ca -0.08 -3.31 -0.16 0.00 -0.60 0.00 0.00 54.58 50.43 1riq n ASN 233 Cb 0.58 -0.61 -0.07 0.00 -0.53 0.00 0.00 39.78 39.16 1riq n ASN 233 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1riq s SER 234 N -2.02 -0.71 0.44 1.20 0.15 -1.26 -4.97 113.70 106.53 1riq s SER 234 Ca 0.45 1.15 0.23 0.00 0.70 0.00 0.00 55.95 58.48 1riq s SER 234 Cb 0.38 1.09 0.99 0.00 -1.71 0.00 0.00 66.02 66.77 1riq s SER 234 CO 0.06 -0.39 1.87 0.78 1.20 0.00 0.00 173.24 176.75 1riq h ASN 235 N 4.18 0.00 0.44 5.45 2.35 -1.59 -2.83 115.58 123.59 1riq h ASN 235 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1riq h ASN 235 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1riq h ASN 235 CO 0.19 0.24 0.00 0.49 -1.65 0.00 0.00 177.43 176.69 1riq n PHE 236 N -3.50 0.00 0.56 1.19 3.72 -1.26 -3.12 117.46 115.05 1riq n PHE 236 Ca -0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 1riq n PHE 236 Cb 0.40 -0.28 0.13 0.00 -0.94 0.00 0.00 39.48 38.80 1riq n PHE 236 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1riq n GLU 237 N -1.28 2.05 -1.47 -1.08 1.02 -1.07 -2.94 120.64 115.87 1riq n GLU 237 Ca 0.12 -1.90 -0.30 0.00 -0.02 0.00 0.00 57.16 55.05 1riq n GLU 237 Cb 0.19 -1.41 0.09 0.00 -0.02 0.00 0.00 31.44 30.28 1riq n GLU 237 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1riq s ILE 238 N -1.52 3.31 0.27 -3.67 -4.36 -1.18 -4.57 121.20 109.48 1riq s ILE 238 Ca 0.28 0.43 0.00 0.00 -0.26 0.00 0.00 60.65 61.10 1riq s ILE 238 Cb 0.18 -3.10 0.27 0.00 1.25 0.00 0.00 42.46 41.06 1riq s ILE 238 CO 0.26 -0.56 1.70 -2.24 0.24 0.00 0.00 174.94 174.34 1riq h ASP 239 N -1.05 0.22 -0.13 4.36 2.03 -1.94 1.00 116.42 120.90 1riq h ASP 239 Ca -0.46 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1riq h ASP 239 Cb 1.25 0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1riq h ASP 239 CO 0.57 -0.00 0.00 2.30 -1.03 0.00 0.00 179.24 181.08 1riq n ILE 240 N -5.08 0.17 0.00 4.15 -5.35 -1.26 -4.24 119.36 107.75 1riq n ILE 240 Ca 0.19 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1riq n ILE 240 Cb 0.57 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1riq n ILE 240 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1riq n ILE 241 N -0.03 0.00 -0.29 7.28 5.41 -0.35 -4.80 119.36 126.57 1riq n ILE 241 Ca 0.14 0.00 0.22 0.00 1.00 0.00 0.00 62.75 64.11 1riq n ILE 241 Cb 0.23 -0.41 0.52 0.00 -0.71 0.00 0.00 39.64 39.27 1riq n ILE 241 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1riq h PHE 242 N 0.00 0.57 -0.02 1.39 3.57 -0.75 0.14 116.94 121.85 1riq h PHE 242 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1riq h PHE 242 Cb 0.69 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1riq h PHE 242 CO 0.00 0.09 0.02 -1.35 -2.23 0.00 0.00 178.31 174.84 1riq h PRO 243 N 0.38 0.00 0.00 6.41 0.11 -1.82 -0.31 132.00 136.77 1riq h PRO 243 Ca 0.55 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.47 1riq h PRO 243 Cb 1.43 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.52 1riq h PRO 243 CO -0.23 0.00 -0.84 -0.07 -0.21 0.00 0.00 178.00 176.65 1riq h LEU 244 N 0.00 0.15 -0.09 2.35 3.38 -1.05 -0.97 115.31 119.08 1riq h LEU 244 Ca 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1riq h LEU 244 Cb 0.04 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1riq h LEU 244 CO -0.00 0.92 -0.04 0.40 0.09 0.00 0.00 178.44 179.81 1riq h ILE 245 N 0.06 1.31 -0.33 1.22 1.08 -1.14 -2.51 117.51 117.21 1riq h ILE 245 Ca -0.03 -1.02 0.05 0.00 -0.39 0.00 0.00 64.86 63.47 1riq h ILE 245 Cb 1.46 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.98 1riq h ILE 245 CO 0.12 0.29 0.22 1.56 -0.69 0.00 0.00 178.15 179.65 1riq h GLN 246 N -0.16 0.22 -0.37 2.37 4.20 -1.02 -0.23 115.11 120.12 1riq h GLN 246 Ca 0.02 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1riq h GLN 246 Cb 0.47 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1riq h GLN 246 CO 0.01 0.15 0.12 0.35 -0.67 0.00 0.00 178.83 178.79 1riq h PHE 247 N 0.23 0.59 -0.72 2.96 3.57 -0.95 -1.52 116.94 121.09 1riq h PHE 247 Ca 0.14 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1riq h PHE 247 Cb 0.28 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1riq h PHE 247 CO -0.00 0.56 0.40 0.78 -2.23 0.00 0.00 178.31 177.82 1riq h GLY 248 N 0.45 1.07 0.97 2.40 0.00 -0.63 -1.83 103.07 105.49 1riq h GLY 248 Ca 0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1riq h GLY 248 CO -0.01 0.46 0.15 0.83 0.00 0.00 0.00 176.54 177.97 1riq h GLU 249 N 0.99 0.36 0.24 4.80 5.08 -1.13 -1.55 114.58 123.36 1riq h GLU 249 Ca 0.25 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1riq h GLU 249 Cb 0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1riq h GLU 249 CO -0.04 0.29 -0.16 1.49 -1.00 0.00 0.00 179.01 179.59 1riq h GLU 250 N 0.32 -0.39 0.00 2.33 4.81 -0.95 1.21 114.58 121.91 1riq h GLU 250 Ca 0.09 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1riq h GLU 250 Cb 0.03 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1riq h GLU 250 CO -0.02 -0.26 -0.27 0.28 -0.73 0.00 0.00 179.01 178.01 1riq h VAL 251 N -0.40 0.98 0.00 0.32 2.07 -1.32 -3.21 116.25 114.69 1riq h VAL 251 Ca -0.02 -1.02 -0.31 0.00 0.82 0.00 0.00 66.70 66.18 1riq h VAL 251 Cb 0.34 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1riq h VAL 251 CO 0.01 0.27 -2.02 -1.54 0.02 0.00 0.00 177.57 174.31 1riq n SER 252 N -3.89 0.42 0.00 0.57 3.41 -0.59 -4.85 113.62 108.69 1riq n SER 252 Ca -0.02 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1riq n SER 252 Cb 0.35 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1riq n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1riq n GLY 253 N 1.62 0.73 3.93 5.00 0.00 0.41 -4.91 105.19 111.97 1riq n GLY 253 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1riq n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1riq s LYS 254 N -0.26 3.49 0.01 1.61 -0.14 -1.15 -5.02 119.74 118.28 1riq s LYS 254 Ca 0.00 -0.43 -0.00 0.00 -1.36 0.00 0.00 55.97 54.18 1riq s LYS 254 Cb 0.00 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 1riq s LYS 254 CO 0.00 0.43 0.09 0.15 -0.76 0.00 0.00 175.35 175.26 1riq s LYS 255 N -3.37 3.09 0.04 1.68 3.01 -1.26 -4.39 119.74 118.54 1riq s LYS 255 Ca 0.37 -0.50 -0.26 0.00 -1.01 0.00 0.00 55.97 54.57 1riq s LYS 255 Cb -0.11 -2.87 -0.05 0.00 -1.01 0.00 0.00 37.83 33.79 1riq s LYS 255 CO 0.29 0.64 0.80 -0.47 0.51 0.00 0.00 175.35 177.12 1riq s TYR 256 N -1.25 3.73 0.00 3.18 5.04 -1.26 -4.05 117.35 122.74 1riq s TYR 256 Ca 0.25 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 1riq s TYR 256 Cb -0.12 -2.87 0.00 0.00 0.35 0.00 0.00 41.96 39.32 1riq s TYR 256 CO 0.16 0.23 0.00 0.41 -1.34 0.00 0.00 175.55 175.01 1riq n GLY 257 N 2.46 0.95 0.25 8.97 0.00 -1.26 -4.99 105.19 111.57 1riq n GLY 257 Ca -0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1riq n GLY 257 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1riq n GLU 258 N -2.10 0.42 -4.23 1.61 1.02 -1.26 -5.03 120.64 111.08 1riq n GLU 258 Ca 0.00 0.14 -0.17 0.00 -0.02 0.00 0.00 57.16 57.11 1riq n GLU 258 Cb 0.00 -1.26 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 1riq n GLU 258 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1riq s LYS 259 N -2.35 0.55 0.09 3.49 2.20 -1.26 -5.07 119.74 117.39 1riq s LYS 259 Ca -0.25 -0.31 -0.25 0.00 -0.36 0.00 0.00 55.97 54.80 1riq s LYS 259 Cb 0.08 -0.52 -0.16 0.00 -1.51 0.00 0.00 37.83 35.73 1riq s LYS 259 CO 0.37 0.14 1.72 0.35 -0.36 0.00 0.00 175.35 177.57 1riq h PHE 260 N 5.80 -0.15 -0.63 4.03 3.57 -1.99 -1.79 116.94 125.77 1riq h PHE 260 Ca -0.30 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.28 1riq h PHE 260 Cb 1.19 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 1riq h PHE 260 CO 0.43 -0.09 0.42 1.05 -2.23 0.00 0.00 178.31 177.89 1riq h GLU 261 N -0.16 0.53 -0.07 1.11 4.11 -1.99 -0.26 114.58 117.85 1riq h GLU 261 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1riq h GLU 261 Cb 0.12 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1riq h GLU 261 CO 0.03 0.35 -0.00 1.15 0.07 0.00 0.00 179.01 180.60 1riq h THR 262 N 0.54 1.26 -0.92 -1.06 2.02 -1.87 -2.44 112.91 110.44 1riq h THR 262 Ca 0.28 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.70 1riq h THR 262 Cb 0.40 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 1riq h THR 262 CO -0.09 0.22 0.61 0.44 0.37 0.00 0.00 175.52 177.07 1riq h ASP 263 N -0.17 0.99 -0.00 4.18 5.19 -0.46 -0.79 116.42 125.35 1riq h ASP 263 Ca 0.02 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1riq h ASP 263 Cb 0.35 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1riq h ASP 263 CO 0.00 0.67 -0.02 0.58 -3.12 0.00 0.00 179.24 177.35 1riq h VAL 264 N 1.15 0.94 -0.45 -1.35 2.07 -1.00 0.38 116.25 117.98 1riq h VAL 264 Ca 0.37 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.92 1riq h VAL 264 Cb 0.04 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1riq h VAL 264 CO -0.12 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.71 1riq h ALA 265 N 0.96 0.57 -0.37 1.67 0.00 -0.85 -0.89 119.26 120.35 1riq h ALA 265 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1riq h ALA 265 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1riq h ALA 265 CO -0.03 -0.10 -0.17 -0.07 0.00 0.00 0.00 179.25 178.88 1riq h LEU 266 N 0.48 0.68 -0.63 0.00 3.38 -0.99 -2.36 115.31 115.87 1riq h LEU 266 Ca 0.19 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1riq h LEU 266 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1riq h LEU 266 CO -0.12 0.86 -0.31 0.03 0.09 0.00 0.00 178.44 178.99 1riq h ARG 267 N 0.61 0.75 -0.03 1.13 3.08 -0.51 -1.78 114.38 117.63 1riq h ARG 267 Ca 0.10 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1riq h ARG 267 Cb 0.63 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1riq h ARG 267 CO 0.04 0.96 0.01 0.28 -1.07 0.00 0.00 179.97 180.19 1riq h VAL 268 N 0.63 1.09 0.08 2.04 2.07 -1.01 -0.76 116.25 120.38 1riq h VAL 268 Ca 0.07 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1riq h VAL 268 Cb 0.83 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1riq h VAL 268 CO 0.07 0.07 -0.15 0.40 0.02 0.00 0.00 177.57 177.98 1riq h ILE 269 N -0.06 0.66 -0.47 4.57 2.04 -1.34 0.22 117.51 123.12 1riq h ILE 269 Ca 0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1riq h ILE 269 Cb 0.10 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1riq h ILE 269 CO -0.00 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.27 1riq h ALA 270 N 0.59 0.54 -0.22 1.87 0.00 -1.23 0.38 119.26 121.19 1riq h ALA 270 Ca 0.03 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1riq h ALA 270 Cb 0.31 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1riq h ALA 270 CO -0.09 -0.28 -0.12 0.22 0.00 0.00 0.00 179.25 178.98 1riq h ASP 271 N 0.27 0.49 0.57 0.00 3.58 -0.88 -3.15 116.42 117.31 1riq h ASP 271 Ca 0.23 -0.42 -0.07 0.00 0.42 0.00 0.00 57.03 57.19 1riq h ASP 271 Cb 0.27 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1riq h ASP 271 CO -0.27 0.80 -0.35 0.45 -2.88 0.00 0.00 179.24 176.99 1riq h HIS 272 N 0.18 0.00 -0.64 0.28 3.86 -0.29 -2.70 115.15 115.84 1riq h HIS 272 Ca 0.05 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1riq h HIS 272 Cb 0.62 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 1riq h HIS 272 CO 0.07 0.35 0.40 -0.07 0.86 0.00 0.00 177.93 179.54 1riq h LEU 273 N 0.00 0.76 -0.44 2.43 3.38 -0.89 -0.52 115.31 120.03 1riq h LEU 273 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1riq h LEU 273 Cb 0.74 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1riq h LEU 273 CO 0.05 0.58 0.21 0.03 0.09 0.00 0.00 178.44 179.40 1riq h ARG 274 N 0.87 0.64 -0.27 1.13 3.08 -1.47 -2.21 114.38 116.14 1riq h ARG 274 Ca 0.23 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1riq h ARG 274 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1riq h ARG 274 CO -0.05 0.54 0.08 0.00 -1.07 0.00 0.00 179.97 179.48 1riq h ALA 275 N 1.06 0.36 -0.48 0.04 0.00 -1.14 -2.55 119.26 116.55 1riq h ALA 275 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1riq h ALA 275 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1riq h ALA 275 CO -0.02 -0.00 0.16 -0.84 0.00 0.00 0.00 179.25 178.55 1riq h ILE 276 N 0.28 1.22 0.30 0.00 3.07 -1.07 -1.20 117.51 120.10 1riq h ILE 276 Ca 0.09 -0.73 0.00 0.00 1.55 0.00 0.00 64.86 65.76 1riq h ILE 276 Cb 0.25 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 37.58 1riq h ILE 276 CO -0.00 0.27 -0.29 0.74 -1.05 0.00 0.00 178.15 177.81 1riq h THR 277 N 0.64 0.38 -0.57 0.16 2.02 -1.33 0.34 112.91 114.55 1riq h THR 277 Ca 0.16 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 1riq h THR 277 Cb 0.26 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1riq h THR 277 CO -0.01 0.00 -0.01 -0.26 0.37 0.00 0.00 175.52 175.61 1riq h PHE 278 N -0.62 1.09 -0.47 3.16 0.04 -1.46 -0.08 116.94 118.61 1riq h PHE 278 Ca -0.01 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 1riq h PHE 278 Cb 0.57 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1riq h PHE 278 CO -0.18 0.97 0.06 0.00 -0.60 0.00 0.00 178.31 178.57 1riq h ALA 279 N 1.06 0.62 -0.09 2.45 0.00 -1.08 -0.80 119.26 121.43 1riq h ALA 279 Ca 0.16 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1riq h ALA 279 Cb 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1riq h ALA 279 CO 0.03 0.36 -0.74 0.82 0.00 0.00 0.00 179.25 179.72 1riq h ILE 280 N 0.65 1.36 0.00 0.00 2.04 -0.86 -1.38 117.51 119.32 1riq h ILE 280 Ca 0.14 -2.11 -0.05 0.00 1.00 0.00 0.00 64.86 63.84 1riq h ILE 280 Cb 0.41 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1riq h ILE 280 CO 0.01 0.64 -0.23 -1.28 0.00 0.00 0.00 178.15 177.29 1riq h SER 281 N 0.32 0.00 -0.35 1.72 0.87 -0.86 -1.78 113.55 113.47 1riq h SER 281 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1riq h SER 281 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1riq h SER 281 CO 0.13 0.23 0.00 0.47 -0.53 0.00 0.00 176.83 177.13 1riq n ASP 282 N -3.95 3.07 0.00 6.23 8.00 -0.32 -4.91 116.55 124.67 1riq n ASP 282 Ca -0.02 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.17 1riq n ASP 282 Cb 0.31 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1riq n ASP 282 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1riq n GLY 283 N 0.66 1.17 3.70 0.44 0.00 -0.67 -4.75 105.19 105.73 1riq n GLY 283 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1riq n GLY 283 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1riq s VAL 284 N -2.23 3.59 -0.17 1.61 1.01 -0.54 -4.99 120.40 118.68 1riq s VAL 284 Ca 0.00 1.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.97 1riq s VAL 284 Cb 0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1riq s VAL 284 CO 0.00 0.02 -0.01 -0.63 0.00 0.00 0.00 175.10 174.48 1riq s ILE 285 N 2.06 4.08 0.17 2.22 -1.09 -1.26 -4.21 121.20 123.16 1riq s ILE 285 Ca 0.64 -0.29 -0.33 0.00 -2.23 0.00 0.00 60.65 58.45 1riq s ILE 285 Cb -0.33 -2.81 -0.13 0.00 -1.58 0.00 0.00 42.46 37.62 1riq s ILE 285 CO 0.28 0.47 1.68 -2.65 -1.23 0.00 0.00 174.94 173.50 1riq n PRO 286 N 3.67 2.50 -2.01 2.79 -0.02 -1.26 -4.22 135.00 136.44 1riq n PRO 286 Ca -0.17 0.90 -0.03 0.00 -2.02 0.00 0.00 63.50 62.18 1riq n PRO 286 Cb 0.52 -2.72 -0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1riq n PRO 286 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1riq n SER 287 N 4.04 -0.41 -1.84 2.55 3.41 -0.88 -4.96 113.62 115.53 1riq n SER 287 Ca 0.17 -1.44 0.07 0.00 -0.26 0.00 0.00 58.87 57.41 1riq n SER 287 Cb 0.32 0.72 0.40 0.00 -0.26 0.00 0.00 64.21 65.39 1riq n SER 287 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1riq n ASN 288 N -1.73 5.55 -3.69 4.04 3.02 -1.26 -2.82 115.26 118.38 1riq n ASN 288 Ca -0.01 -2.85 -0.14 0.00 -0.03 0.00 0.00 54.58 51.55 1riq n ASN 288 Cb 0.14 -0.67 -0.08 0.00 -0.61 0.00 0.00 39.78 38.56 1riq n ASN 288 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1riq s GLU 289 N -2.61 0.70 6.33 3.52 -1.05 -1.26 -1.39 118.70 122.94 1riq s GLU 289 Ca 0.53 0.28 0.00 0.00 -0.15 0.00 0.00 54.97 55.63 1riq s GLU 289 Cb 0.40 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.42 1riq s GLU 289 CO 0.17 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.63 1riq n GLY 290 N 1.87 3.27 0.34 -3.83 0.00 -1.26 -2.68 105.19 102.91 1riq n GLY 290 Ca -0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 1riq n GLY 290 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1riq h ARG 291 N 0.00 1.17 -0.47 1.61 3.08 -1.95 -2.25 114.38 115.58 1riq h ARG 291 Ca 0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1riq h ARG 291 Cb 0.00 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 1riq h ARG 291 CO 0.00 0.78 0.27 0.78 -1.07 0.00 0.00 179.97 180.72 1riq h GLY 292 N 1.21 0.68 1.60 0.04 0.00 -1.68 -2.53 103.07 102.38 1riq h GLY 292 Ca 0.33 -0.28 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 1riq h GLY 292 CO -0.08 0.27 -0.75 -1.82 0.00 0.00 0.00 176.54 174.16 1riq h TYR 293 N 0.65 0.53 0.05 5.60 3.20 -1.25 -1.83 116.97 123.92 1riq h TYR 293 Ca 0.17 -0.24 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1riq h TYR 293 Cb 0.00 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1riq h TYR 293 CO 0.00 1.00 -0.08 0.28 -1.64 0.00 0.00 178.16 177.73 1riq h VAL 294 N 0.26 0.82 -0.54 1.81 2.07 -1.12 0.42 116.25 119.97 1riq h VAL 294 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1riq h VAL 294 Cb 1.33 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1riq h VAL 294 CO 0.13 0.00 0.24 0.40 0.02 0.00 0.00 177.57 178.36 1riq h ILE 295 N -0.16 1.19 -0.55 4.57 5.03 -1.48 -0.72 117.51 125.38 1riq h ILE 295 Ca 0.01 -0.54 -0.04 0.00 -0.12 0.00 0.00 64.86 64.17 1riq h ILE 295 Cb 0.17 0.51 -0.02 0.00 -3.03 0.00 0.00 36.82 34.45 1riq h ILE 295 CO -0.04 0.22 0.19 -0.09 -0.68 0.00 0.00 178.15 177.75 1riq h ARG 296 N 0.76 0.84 -0.38 2.37 2.43 -0.79 0.18 114.38 119.78 1riq h ARG 296 Ca 0.19 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1riq h ARG 296 Cb 0.10 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1riq h ARG 296 CO -0.02 0.75 0.08 0.00 -1.51 0.00 0.00 179.97 179.27 1riq h ARG 297 N 0.75 0.62 -0.48 0.20 3.08 -0.45 0.14 114.38 118.25 1riq h ARG 297 Ca 0.18 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1riq h ARG 297 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1riq h ARG 297 CO -0.01 0.67 0.29 0.82 -1.07 0.00 0.00 179.97 180.67 1riq h ILE 298 N 0.48 1.15 -0.27 2.04 2.04 -0.93 0.26 117.51 122.27 1riq h ILE 298 Ca 0.12 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1riq h ILE 298 Cb 0.33 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1riq h ILE 298 CO 0.00 0.15 0.17 -0.07 0.00 0.00 0.00 178.15 178.40 1riq h LEU 299 N 0.64 0.32 -0.84 1.44 3.38 -0.39 -1.66 115.31 118.21 1riq h LEU 299 Ca 0.17 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1riq h LEU 299 Cb -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1riq h LEU 299 CO -0.03 0.27 0.05 -0.09 0.09 0.00 0.00 178.44 178.73 1riq h ARG 300 N 0.35 0.92 -0.67 1.13 9.65 -0.34 -2.74 114.38 122.67 1riq h ARG 300 Ca 0.10 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.66 1riq h ARG 300 Cb 0.00 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 1riq h ARG 300 CO -0.02 0.88 0.13 -0.09 2.80 0.00 0.00 179.97 183.68 1riq h ARG 301 N 0.87 1.09 -1.32 0.20 2.43 -0.23 -0.64 114.38 116.78 1riq h ARG 301 Ca 0.17 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1riq h ARG 301 Cb 0.43 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1riq h ARG 301 CO 0.02 0.98 0.00 0.00 -1.51 0.00 0.00 179.97 179.46 1riq n ALA 302 N -2.46 1.76 0.00 2.80 0.00 -0.65 -1.80 120.51 120.15 1riq n ALA 302 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1riq n ALA 302 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1riq n ALA 302 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1riq n ARG 304 N 0.70 0.00 -0.05 0.00 0.00 -0.25 -1.38 116.66 115.68 1riq n ARG 304 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1riq n ARG 304 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.63 1riq n ARG 304 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1riq h PHE 305 N 0.00 0.91 -0.65 -0.14 0.04 -1.62 0.11 116.94 115.59 1riq h PHE 305 Ca 0.00 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.43 1riq h PHE 305 Cb 0.00 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 1riq h PHE 305 CO 0.00 1.08 0.28 0.78 -0.60 0.00 0.00 178.31 179.85 1riq h GLY 306 N 0.89 1.02 1.35 -1.45 0.00 -1.50 -0.87 103.07 102.51 1riq h GLY 306 Ca 0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1riq h GLY 306 CO 0.10 0.51 0.06 -1.82 0.00 0.00 0.00 176.54 175.39 1riq h TYR 307 N 0.91 0.84 -0.01 5.60 3.20 -1.66 -0.86 116.97 124.98 1riq h TYR 307 Ca 0.22 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1riq h TYR 307 Cb 0.17 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1riq h TYR 307 CO 0.01 0.74 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.96 1riq h LYS 308 N 0.76 0.02 -0.00 1.82 3.64 -0.11 -0.03 116.57 122.66 1riq h LYS 308 Ca 0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1riq h LYS 308 Cb 0.38 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1riq h LYS 308 CO 0.01 0.12 -0.13 1.28 -2.27 0.00 0.00 179.45 178.45 1riq n LEU 309 N -4.42 0.27 0.00 5.20 4.77 -0.41 -4.92 117.00 117.49 1riq n LEU 309 Ca -0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1riq n LEU 309 Cb 0.18 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1riq n LEU 309 CO 0.35 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1riq n GLY 310 N 1.39 0.93 3.66 -0.72 0.00 -0.03 -4.94 105.19 105.48 1riq n GLY 310 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1riq n GLY 310 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1riq s ILE 311 N -2.00 4.50 -0.63 -0.61 1.01 -0.43 -4.91 121.20 118.14 1riq s ILE 311 Ca 0.00 1.81 0.23 0.00 0.00 0.00 0.00 60.65 62.69 1riq s ILE 311 Cb 0.00 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 1riq s ILE 311 CO 0.00 -0.20 1.06 -0.62 0.00 0.00 0.00 174.94 175.17 1riq n GLU 312 N 6.51 0.28 -4.67 2.79 -0.58 -1.26 -4.03 120.64 119.67 1riq n GLU 312 Ca 0.13 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.57 1riq n GLU 312 Cb 0.46 -1.60 -0.09 0.00 -0.57 0.00 0.00 31.44 29.64 1riq n GLU 312 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1riq s ASN 313 N -3.92 3.90 0.41 1.62 0.01 -1.26 -5.08 114.94 110.62 1riq s ASN 313 Ca 0.04 -1.51 -0.26 0.00 -0.71 0.00 0.00 52.86 50.42 1riq s ASN 313 Cb 0.14 0.05 -0.09 0.00 0.41 0.00 0.00 41.25 41.77 1riq s ASN 313 CO 0.79 -0.65 1.34 -2.84 -1.51 0.00 0.00 177.10 174.23 1riq s PRO 314 N -3.79 3.93 0.00 -0.60 0.02 -1.26 -4.86 135.00 128.43 1riq s PRO 314 Ca 0.22 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1riq s PRO 314 Cb 0.06 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.82 1riq s PRO 314 CO 0.11 -0.56 0.00 1.97 -0.33 0.00 0.00 177.00 178.19 1riq n PHE 315 N 0.10 0.00 -0.34 6.54 1.16 -1.26 -4.90 117.46 118.75 1riq n PHE 315 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.59 1riq n PHE 315 Cb 0.43 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.40 1riq n PHE 315 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1riq h LEU 316 N 0.00 1.05 -2.17 5.98 3.38 -1.95 -2.13 115.31 119.47 1riq h LEU 316 Ca 0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1riq h LEU 316 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1riq h LEU 316 CO 0.00 0.75 0.26 0.10 0.09 0.00 0.00 178.44 179.64 1riq h TYR 317 N 1.23 0.00 0.00 1.13 -0.00 -1.88 0.50 116.97 117.95 1riq h TYR 317 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.92 1riq h TYR 317 Cb -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.60 1riq h TYR 317 CO -0.01 0.00 -0.74 0.87 -0.00 0.00 0.00 178.16 178.29 1riq h LYS 318 N 0.00 0.00 0.00 0.10 1.57 -1.75 -3.19 116.57 113.29 1riq h LYS 318 Ca 0.11 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1riq h LYS 318 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1riq h LYS 318 CO -0.00 0.74 -0.46 0.78 -0.57 0.00 0.00 179.45 179.94 1riq h GLY 319 N 3.16 0.00 0.83 3.86 0.00 0.05 -2.99 103.07 107.98 1riq h GLY 319 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.38 1riq h GLY 319 CO 0.10 0.00 0.63 -2.08 0.00 0.00 0.00 176.54 175.18 1riq h VAL 320 N 0.00 1.11 -0.48 4.60 2.07 -1.42 -1.82 116.25 120.31 1riq h VAL 320 Ca -0.00 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1riq h VAL 320 Cb 0.85 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1riq h VAL 320 CO 0.06 0.21 0.30 0.44 0.02 0.00 0.00 177.57 178.60 1riq h ASP 321 N 1.15 0.51 -0.57 0.57 3.32 -1.66 -1.79 116.42 117.96 1riq h ASP 321 Ca 0.40 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 1riq h ASP 321 Cb 0.12 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1riq h ASP 321 CO -0.15 0.37 0.27 0.25 -1.72 0.00 0.00 179.24 178.26 1riq h LEU 322 N 0.61 0.77 -0.32 1.55 5.85 -1.43 -1.48 115.31 120.86 1riq h LEU 322 Ca 0.18 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1riq h LEU 322 Cb -0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1riq h LEU 322 CO -0.06 0.67 0.04 0.58 -0.34 0.00 0.00 178.44 179.33 1riq h VAL 323 N 0.85 1.24 -0.78 1.05 2.07 -0.87 -2.07 116.25 117.74 1riq h VAL 323 Ca 0.21 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1riq h VAL 323 Cb 0.12 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1riq h VAL 323 CO -0.02 0.28 0.37 0.58 0.02 0.00 0.00 177.57 178.80 1riq h VAL 324 N 0.36 1.25 -0.39 2.57 2.07 -0.98 -2.78 116.25 118.35 1riq h VAL 324 Ca 0.10 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1riq h VAL 324 Cb 0.37 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1riq h VAL 324 CO 0.01 0.30 -0.12 0.44 0.02 0.00 0.00 177.57 178.22 1riq h ASP 325 N 1.10 0.68 0.00 0.57 3.32 -1.16 0.94 116.42 121.87 1riq h ASP 325 Ca 0.27 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1riq h ASP 325 Cb 0.13 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1riq h ASP 325 CO -0.03 0.83 0.00 -0.38 -1.72 0.00 0.00 179.24 177.93 1riq n ILE 326 N -4.17 0.00 0.00 0.35 5.41 -0.79 -4.75 119.36 115.41 1riq n ILE 326 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1riq n ILE 326 Cb 0.36 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 1riq n ILE 326 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1riq n LYS 328 N -0.15 0.00 0.48 0.38 2.85 0.32 -4.86 118.16 117.18 1riq n LYS 328 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1riq n LYS 328 Cb 0.10 -1.70 -0.09 0.00 -0.65 0.00 0.00 35.03 32.69 1riq n LYS 328 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1riq h GLU 329 N 0.04 -1.18 0.00 -1.58 5.08 -1.85 -1.37 114.58 113.72 1riq h GLU 329 Ca 0.00 0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1riq h GLU 329 Cb 0.00 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1riq h GLU 329 CO 0.00 -0.79 -0.22 -1.00 -1.00 0.00 0.00 179.01 176.00 1riq h PRO 330 N -1.32 0.00 -2.49 2.33 0.13 -1.99 -3.36 132.00 125.31 1riq h PRO 330 Ca -0.13 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.41 1riq h PRO 330 Cb 0.94 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.67 1riq h PRO 330 CO 0.21 0.22 -0.80 0.66 -0.23 0.00 0.00 178.00 178.06 1riq n TYR 331 N -3.30 1.42 0.28 1.56 4.01 -1.19 -4.96 117.16 114.97 1riq n TYR 331 Ca 0.01 -3.84 0.14 0.00 -0.16 0.00 0.00 57.90 54.04 1riq n TYR 331 Cb 0.48 -0.30 0.82 0.00 -0.31 0.00 0.00 39.34 40.03 1riq n TYR 331 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1riq h PRO 332 N 4.96 0.00 0.00 -0.72 0.13 -1.40 -2.43 132.00 132.54 1riq h PRO 332 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1riq h PRO 332 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1riq h PRO 332 CO 0.59 0.06 -0.02 1.05 -0.23 0.00 0.00 178.00 179.45 1riq h GLU 333 N 0.00 0.00 0.00 0.86 9.09 -1.93 -2.07 114.58 120.53 1riq h GLU 333 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1riq h GLU 333 Cb 0.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.27 1riq h GLU 333 CO 0.01 0.02 -0.03 -0.07 0.05 0.00 0.00 179.01 178.99 1riq h LEU 334 N 0.00 0.00 -0.50 3.06 3.38 -1.79 -2.36 115.31 117.10 1riq h LEU 334 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1riq h LEU 334 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1riq h LEU 334 CO 0.00 0.03 -0.63 -0.33 0.09 0.00 0.00 178.44 177.60 1riq h GLU 335 N 0.00 0.44 0.00 1.13 5.08 -1.60 -1.04 114.58 118.59 1riq h GLU 335 Ca -0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1riq h GLU 335 Cb 0.13 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1riq h GLU 335 CO 0.00 0.93 0.00 -0.07 -1.00 0.00 0.00 179.01 178.87 1riq h LEU 336 N 0.32 0.00 -1.04 1.33 3.38 -1.60 -2.95 115.31 114.76 1riq h LEU 336 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1riq h LEU 336 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1riq h LEU 336 CO 0.11 0.00 -0.17 -1.54 0.09 0.00 0.00 178.44 176.93 1riq n SER 337 N -2.59 1.63 -0.29 -0.43 3.41 -1.09 -4.74 113.62 109.51 1riq n SER 337 Ca 0.02 -1.31 -0.12 0.00 -0.26 0.00 0.00 58.87 57.20 1riq n SER 337 Cb 0.29 0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 1riq n SER 337 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1riq h ARG 338 N 1.80 -0.15 -0.50 4.33 2.43 -1.00 0.25 114.38 121.54 1riq h ARG 338 Ca 0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1riq h ARG 338 Cb 0.47 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1riq h ARG 338 CO 0.00 -0.10 -0.09 0.93 -1.51 0.00 0.00 179.97 179.20 1riq h GLU 339 N -0.16 0.90 -0.38 0.20 4.39 -1.85 -0.24 114.58 117.44 1riq h GLU 339 Ca 0.12 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1riq h GLU 339 Cb 0.46 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1riq h GLU 339 CO -0.75 0.95 0.18 0.35 -1.16 0.00 0.00 179.01 178.58 1riq h PHE 340 N 0.81 0.55 -0.19 4.33 3.57 -1.67 0.12 116.94 124.47 1riq h PHE 340 Ca 0.14 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1riq h PHE 340 Cb 0.60 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1riq h PHE 340 CO 0.04 0.46 -0.03 0.28 -2.23 0.00 0.00 178.31 176.83 1riq h VAL 341 N 0.48 1.27 -0.89 1.41 2.07 -0.37 -2.08 116.25 118.15 1riq h VAL 341 Ca 0.13 -0.96 0.11 0.00 0.82 0.00 0.00 66.70 66.81 1riq h VAL 341 Cb 0.12 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1riq h VAL 341 CO -0.02 0.29 0.57 0.50 0.02 0.00 0.00 177.57 178.93 1riq h LYS 342 N 0.08 0.79 -0.23 1.57 3.64 -0.92 -1.19 116.57 120.32 1riq h LYS 342 Ca 0.05 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1riq h LYS 342 Cb 0.45 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1riq h LYS 342 CO 0.01 0.53 -0.10 0.78 -2.27 0.00 0.00 179.45 178.40 1riq h GLY 343 N 0.82 0.51 0.89 5.01 0.00 -0.67 -1.67 103.07 107.96 1riq h GLY 343 Ca 0.42 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1riq h GLY 343 CO -0.19 0.41 0.22 -2.22 0.00 0.00 0.00 176.54 174.76 1riq h ILE 344 N 0.18 1.03 -0.09 2.60 1.08 -0.77 -0.36 117.51 121.18 1riq h ILE 344 Ca 0.05 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1riq h ILE 344 Cb 0.59 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1riq h ILE 344 CO 0.03 0.08 0.04 0.58 -0.69 0.00 0.00 178.15 178.19 1riq h VAL 345 N 0.45 1.13 -0.59 1.67 2.07 -1.20 -1.22 116.25 118.55 1riq h VAL 345 Ca 0.15 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1riq h VAL 345 Cb 0.02 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1riq h VAL 345 CO -0.08 0.11 0.37 0.50 0.02 0.00 0.00 177.57 178.50 1riq h LYS 346 N 0.01 0.73 -0.38 1.57 3.64 -1.19 -0.78 116.57 120.18 1riq h LYS 346 Ca 0.03 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1riq h LYS 346 Cb 0.14 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1riq h LYS 346 CO -0.00 0.48 0.22 0.78 -2.27 0.00 0.00 179.45 178.66 1riq h GLY 347 N 0.75 0.52 0.97 5.01 0.00 -0.86 -0.65 103.07 108.82 1riq h GLY 347 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1riq h GLY 347 CO -0.08 0.15 -0.08 -2.09 0.00 0.00 0.00 176.54 174.45 1riq h GLU 348 N 0.45 -0.19 -0.15 4.80 4.57 -0.91 -1.59 114.58 121.57 1riq h GLU 348 Ca 0.15 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.38 1riq h GLU 348 Cb 0.00 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1riq h GLU 348 CO -0.07 -0.13 -0.07 0.93 -1.18 0.00 0.00 179.01 178.49 1riq h GLU 349 N -0.20 -0.05 0.00 1.92 5.08 -0.81 -1.70 114.58 118.82 1riq h GLU 349 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1riq h GLU 349 Cb 0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1riq h GLU 349 CO 0.02 -0.04 -0.11 0.87 -1.00 0.00 0.00 179.01 178.75 1riq h LYS 350 N -0.06 0.00 -0.16 2.33 1.57 -1.03 0.36 116.57 119.58 1riq h LYS 350 Ca 0.08 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 1riq h LYS 350 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.50 1riq h LYS 350 CO -0.19 0.11 -0.58 -0.09 -0.57 0.00 0.00 179.45 178.13 1riq h ARG 351 N 0.00 0.68 0.00 3.15 9.65 -0.47 -3.37 114.38 124.02 1riq h ARG 351 Ca -0.00 -0.52 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1riq h ARG 351 Cb 0.23 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1riq h ARG 351 CO 0.01 1.13 -1.04 1.19 2.80 0.00 0.00 179.97 184.07 1riq n PHE 352 N -4.11 0.00 -0.18 2.20 3.72 -0.72 -4.71 117.46 113.67 1riq n PHE 352 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 1riq n PHE 352 Cb 0.64 -0.11 0.07 0.00 -0.94 0.00 0.00 39.48 39.15 1riq n PHE 352 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1riq h ILE 353 N 0.00 0.55 -0.53 4.37 2.10 -1.10 0.35 117.51 123.26 1riq h ILE 353 Ca 0.00 -0.04 -0.06 0.00 1.08 0.00 0.00 64.86 65.84 1riq h ILE 353 Cb 0.49 0.44 -0.02 0.00 -1.09 0.00 0.00 36.82 36.64 1riq h ILE 353 CO 0.00 0.02 0.09 0.50 -1.08 0.00 0.00 178.15 177.68 1riq h LYS 354 N 0.11 0.88 -0.50 2.19 3.64 -1.84 -1.63 116.57 119.41 1riq h LYS 354 Ca 0.28 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1riq h LYS 354 Cb 0.43 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1riq h LYS 354 CO -0.47 0.86 0.07 1.15 -2.27 0.00 0.00 179.45 178.79 1riq h THR 355 N 0.76 1.23 -0.28 1.00 2.02 -1.64 -0.13 112.91 115.86 1riq h THR 355 Ca 0.16 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1riq h THR 355 Cb 0.40 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1riq h THR 355 CO 0.01 0.32 0.16 0.25 0.37 0.00 0.00 175.52 176.63 1riq h LEU 356 N 0.75 0.35 -0.37 2.58 5.85 0.07 0.17 115.31 124.71 1riq h LEU 356 Ca 0.16 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1riq h LEU 356 Cb 0.35 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1riq h LEU 356 CO 0.01 0.32 0.13 0.11 -0.34 0.00 0.00 178.44 178.67 1riq h LYS 357 N 0.35 0.56 -0.76 1.25 1.57 -0.85 -2.83 116.57 115.86 1riq h LYS 357 Ca 0.10 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1riq h LYS 357 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1riq h LYS 357 CO -0.02 0.55 0.33 0.00 -0.57 0.00 0.00 179.45 179.75 1riq h ALA 358 N 0.98 0.98 0.00 3.86 0.00 -0.84 -2.55 119.26 121.69 1riq h ALA 358 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1riq h ALA 358 Cb 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1riq h ALA 358 CO -0.01 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1riq n GLY 359 N -0.92 0.67 0.63 0.00 0.00 0.57 -2.10 105.19 104.05 1riq n GLY 359 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1riq n GLY 359 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1riq n GLU 361 N 1.10 0.00 0.04 1.61 2.13 -0.96 -0.95 120.64 123.61 1riq n GLU 361 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1riq n GLU 361 Cb 0.14 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.77 1riq n GLU 361 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 1riq h TYR 362 N 0.00 -0.04 -0.43 4.31 3.20 -1.71 -1.94 116.97 120.35 1riq h TYR 362 Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1riq h TYR 362 Cb 0.00 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1riq h TYR 362 CO 0.00 0.16 0.25 0.82 -1.64 0.00 0.00 178.16 177.75 1riq h ILE 363 N -0.24 1.15 -0.83 1.81 2.04 -1.33 -1.94 117.51 118.16 1riq h ILE 363 Ca -0.00 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1riq h ILE 363 Cb 0.22 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1riq h ILE 363 CO 0.01 0.15 0.41 1.56 0.00 0.00 0.00 178.15 180.27 1riq h GLN 364 N 0.57 1.18 -0.00 2.37 1.08 -1.81 -0.28 115.11 118.22 1riq h GLN 364 Ca 0.15 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1riq h GLN 364 Cb 0.02 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 1riq h GLN 364 CO -0.03 0.90 -0.05 1.49 -0.95 0.00 0.00 178.83 180.19 1riq h GLU 365 N 1.18 -0.08 0.00 1.46 4.57 -0.95 0.18 114.58 120.93 1riq h GLU 365 Ca 0.29 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.40 1riq h GLU 365 Cb 0.10 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1riq h GLU 365 CO -0.04 -0.06 -0.34 -0.39 -1.18 0.00 0.00 179.01 177.00 1riq h VAL 366 N -0.09 0.88 0.06 0.32 -1.51 -1.13 -1.38 116.25 113.41 1riq h VAL 366 Ca 0.02 -1.38 -0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1riq h VAL 366 Cb 0.12 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1riq h VAL 366 CO -0.06 0.34 -0.03 0.40 -1.23 0.00 0.00 177.57 176.99 1riq h ILE 367 N 0.00 1.19 -0.13 7.19 2.04 -0.48 -0.88 117.51 126.44 1riq h ILE 367 Ca -0.00 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1riq h ILE 367 Cb 0.81 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1riq h ILE 367 CO 0.04 0.23 -0.15 -0.61 0.00 0.00 0.00 178.15 177.66 1riq h GLN 368 N -0.50 0.20 0.00 2.37 5.75 -0.50 -0.87 115.11 121.57 1riq h GLN 368 Ca -0.01 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 1riq h GLN 368 Cb 0.43 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1riq h GLN 368 CO 0.01 0.36 -0.36 -0.22 -2.65 0.00 0.00 178.83 175.98 1riq h LYS 369 N 0.19 0.00 0.24 1.69 3.64 -1.17 -1.93 116.57 119.24 1riq h LYS 369 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1riq h LYS 369 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1riq h LYS 369 CO 0.02 0.36 -0.12 0.00 -2.27 0.00 0.00 179.45 177.45 1riq h ALA 370 N 1.64 -0.35 0.00 5.00 0.00 0.24 -2.65 119.26 123.13 1riq h ALA 370 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1riq h ALA 370 Cb 0.86 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1riq h ALA 370 CO 0.05 -0.33 0.00 1.37 0.00 0.00 0.00 179.25 180.34 1riq h LEU 371 N -0.98 0.00 -0.02 0.00 8.10 -1.44 0.91 115.31 121.89 1riq h LEU 371 Ca -0.03 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.88 1riq h LEU 371 Cb 0.25 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1riq h LEU 371 CO 0.05 0.00 -0.29 -0.08 -4.11 0.00 0.00 178.44 174.01 1riq h GLU 372 N 0.00 0.23 -0.61 0.17 4.57 -1.40 -3.15 114.58 114.39 1riq h GLU 372 Ca 0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1riq h GLU 372 Cb 0.13 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1riq h GLU 372 CO 0.00 0.92 0.00 0.39 -1.18 0.00 0.00 179.01 179.14 1riq n GLU 373 N -4.47 1.65 -1.01 1.92 1.02 -0.71 -4.88 120.64 114.16 1riq n GLU 373 Ca -0.09 -0.63 -0.00 0.00 -0.02 0.00 0.00 57.16 56.41 1riq n GLU 373 Cb 0.51 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1riq n GLU 373 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1riq n GLY 374 N 0.38 0.31 3.81 0.62 0.00 -0.72 -5.02 105.19 104.57 1riq n GLY 374 Ca 0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1riq n GLY 374 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1riq s ARG 375 N -0.93 2.92 0.00 1.61 0.52 0.23 -4.95 118.95 118.36 1riq s ARG 375 Ca 0.00 1.02 0.09 0.00 -0.52 0.00 0.00 55.73 56.32 1riq s ARG 375 Cb 0.00 -1.99 0.03 0.00 0.52 0.00 0.00 34.95 33.52 1riq s ARG 375 CO 0.00 -1.12 0.67 1.63 0.02 0.00 0.00 175.30 176.51 1riq n LYS 376 N -3.00 1.24 -3.94 3.54 4.76 -1.26 -4.17 118.16 115.33 1riq n LYS 376 Ca 0.08 -0.78 -0.09 0.00 -2.87 0.00 0.00 58.31 54.65 1riq n LYS 376 Cb 0.53 -1.10 -0.03 0.00 -1.84 0.00 0.00 35.03 32.59 1riq n LYS 376 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1riq s THR 377 N -0.98 0.00 -0.04 -0.18 -4.23 -1.26 -2.94 115.64 106.00 1riq s THR 377 Ca 0.09 -1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1riq s THR 377 Cb 0.07 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1riq s THR 377 CO 0.16 0.00 0.33 -0.76 -0.54 0.00 0.00 174.62 173.82 1riq s LEU 378 N -3.00 4.44 0.98 4.79 1.43 0.07 -4.90 118.68 122.49 1riq s LEU 378 Ca 0.18 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 1riq s LEU 378 Cb -0.03 -2.44 0.18 0.00 0.03 0.00 0.00 46.19 43.93 1riq s LEU 378 CO 0.09 0.33 1.10 -0.94 0.23 0.00 0.00 176.35 177.16 1riq s SER 379 N -0.96 2.76 0.32 2.29 1.04 -1.26 -0.76 113.70 117.13 1riq s SER 379 Ca 0.21 1.20 0.06 0.00 0.48 0.00 0.00 55.95 57.90 1riq s SER 379 Cb -0.15 -1.86 0.55 0.00 0.10 0.00 0.00 66.02 64.66 1riq s SER 379 CO 0.10 -3.05 1.79 1.23 0.98 0.00 0.00 173.24 174.30 1riq h GLY 380 N -1.83 0.38 0.93 7.32 0.00 -1.73 -1.76 103.07 106.38 1riq h GLY 380 Ca -0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1riq h GLY 380 CO 0.58 0.26 0.11 1.70 0.00 0.00 0.00 176.54 179.18 1riq h LYS 381 N 0.32 0.29 -0.28 4.80 3.64 -1.91 0.25 116.57 123.66 1riq h LYS 381 Ca 0.05 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1riq h LYS 381 Cb 0.58 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1riq h LYS 381 CO 0.04 0.29 -0.18 0.93 -2.27 0.00 0.00 179.45 178.26 1riq h GLU 382 N 0.21 0.51 -0.17 1.90 5.08 -1.87 -0.77 114.58 119.47 1riq h GLU 382 Ca 0.07 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1riq h GLU 382 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1riq h GLU 382 CO -0.01 0.67 -0.03 0.28 -1.00 0.00 0.00 179.01 178.92 1riq h VAL 383 N 0.46 1.28 -0.80 3.13 2.07 -0.99 -2.14 116.25 119.25 1riq h VAL 383 Ca 0.08 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.66 1riq h VAL 383 Cb 0.58 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1riq h VAL 383 CO 0.04 0.29 0.51 0.15 0.02 0.00 0.00 177.57 178.58 1riq h PHE 384 N 0.04 0.96 -0.49 1.57 3.57 -0.18 -0.36 116.94 122.05 1riq h PHE 384 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1riq h PHE 384 Cb 0.45 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1riq h PHE 384 CO 0.05 0.56 0.32 1.15 -2.23 0.00 0.00 178.31 178.16 1riq h THR 385 N 1.00 1.13 -0.26 4.41 2.02 -1.03 0.90 112.91 121.07 1riq h THR 385 Ca 0.32 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 1riq h THR 385 Cb 0.00 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1riq h THR 385 CO -0.11 0.12 -0.25 0.00 0.37 0.00 0.00 175.52 175.65 1riq h ALA 386 N 1.18 1.08 0.00 6.16 0.00 -0.81 0.91 119.26 127.79 1riq h ALA 386 Ca 0.18 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1riq h ALA 386 Cb -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1riq h ALA 386 CO -0.04 0.56 -0.60 -0.92 0.00 0.00 0.00 179.25 178.26 1riq h TYR 387 N 0.45 0.60 0.12 0.00 3.20 -0.53 -1.42 116.97 119.38 1riq h TYR 387 Ca 0.07 -0.33 -0.37 0.00 3.14 0.00 0.00 58.73 61.24 1riq h TYR 387 Cb 0.67 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1riq h TYR 387 CO 0.02 1.15 -2.02 -3.47 -1.64 0.00 0.00 178.16 172.20 1riq n ASP 388 N -4.22 2.12 0.04 -2.11 2.03 0.31 -2.96 116.55 111.75 1riq n ASP 388 Ca -0.10 0.19 -0.20 0.00 0.52 0.00 0.00 54.79 55.20 1riq n ASP 388 Cb 0.67 -0.84 -0.14 0.00 -0.72 0.00 0.00 41.12 40.09 1riq n ASP 388 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1riq h THR 389 N 0.06 1.42 -0.25 5.18 2.02 -0.95 -3.38 112.91 117.00 1riq h THR 389 Ca -0.43 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.24 1riq h THR 389 Cb 2.02 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 71.53 1riq h THR 389 CO 0.07 0.71 0.00 -1.22 0.37 0.00 0.00 175.52 175.45 1riq n TYR 390 N -4.10 0.31 -1.26 3.16 4.01 -1.13 -4.98 117.16 113.17 1riq n TYR 390 Ca -0.16 -0.16 -0.09 0.00 -0.16 0.00 0.00 57.90 57.33 1riq n TYR 390 Cb 0.83 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.82 1riq n TYR 390 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1riq n GLY 391 N 1.37 0.95 3.69 2.72 0.00 -1.14 -4.77 105.19 108.01 1riq n GLY 391 Ca 0.17 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1riq n GLY 391 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1riq s PHE 392 N -2.01 3.04 0.59 1.61 0.40 -0.55 -4.97 117.98 116.10 1riq s PHE 392 Ca 0.00 1.03 -0.20 0.00 -0.60 0.00 0.00 56.93 57.16 1riq s PHE 392 Cb 0.00 -3.53 -0.03 0.00 0.51 0.00 0.00 43.02 39.96 1riq s PHE 392 CO 0.00 -1.83 1.32 -2.30 0.70 0.00 0.00 175.22 173.11 1riq n PRO 393 N 5.28 1.44 -0.27 0.24 -0.02 -1.26 -4.07 135.00 136.33 1riq n PRO 393 Ca 0.12 0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 62.12 1riq n PRO 393 Cb 0.45 -2.54 0.10 0.00 -0.02 0.00 0.00 33.50 31.49 1riq n PRO 393 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1riq h VAL 394 N 1.04 1.06 -0.53 -1.45 2.07 -1.88 -2.15 116.25 114.41 1riq h VAL 394 Ca -0.51 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1riq h VAL 394 Cb 1.32 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1riq h VAL 394 CO 0.55 0.16 0.20 0.44 0.02 0.00 0.00 177.57 178.94 1riq h ASP 395 N 0.87 0.70 -0.31 0.57 3.32 -1.91 -2.18 116.42 117.48 1riq h ASP 395 Ca 0.32 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 1riq h ASP 395 Cb 0.09 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1riq h ASP 395 CO -0.14 0.64 -0.26 0.25 -1.72 0.00 0.00 179.24 178.01 1riq h LEU 396 N 0.76 0.84 -0.45 1.55 5.85 -1.77 -1.77 115.31 120.31 1riq h LEU 396 Ca 0.18 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1riq h LEU 396 Cb 0.17 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1riq h LEU 396 CO -0.02 1.05 0.20 0.40 -0.34 0.00 0.00 178.44 179.73 1riq h ILE 397 N 0.70 1.20 -0.36 4.05 2.04 -0.96 -2.24 117.51 121.94 1riq h ILE 397 Ca 0.09 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1riq h ILE 397 Cb 0.80 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1riq h ILE 397 CO 0.07 0.22 0.16 -0.78 0.00 0.00 0.00 178.15 177.82 1riq h ASP 398 N 0.59 0.48 -0.78 1.72 3.58 -1.31 -1.78 116.42 118.92 1riq h ASP 398 Ca 0.15 -0.14 0.06 0.00 0.42 0.00 0.00 57.03 57.52 1riq h ASP 398 Cb 0.16 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.03 1riq h ASP 398 CO -0.02 0.49 0.46 -0.08 -2.88 0.00 0.00 179.24 177.22 1riq h GLU 399 N 0.44 0.82 0.02 0.28 4.81 -1.14 0.99 114.58 120.79 1riq h GLU 399 Ca 0.12 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1riq h GLU 399 Cb 0.15 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1riq h GLU 399 CO -0.01 0.54 -0.01 0.82 -0.73 0.00 0.00 179.01 179.62 1riq h ILE 400 N 0.84 1.18 -0.74 2.32 2.04 -1.18 -2.77 117.51 119.20 1riq h ILE 400 Ca 0.35 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1riq h ILE 400 Cb 0.19 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1riq h ILE 400 CO -0.18 0.16 0.49 0.00 0.00 0.00 0.00 178.15 178.61 1riq h ALA 401 N 0.69 1.49 -0.71 1.87 0.00 -0.96 -2.39 119.26 119.25 1riq h ALA 401 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1riq h ALA 401 Cb 0.27 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1riq h ALA 401 CO 0.00 0.47 0.47 -0.09 0.00 0.00 0.00 179.25 180.10 1riq h ARG 402 N 0.98 0.93 0.00 0.00 2.43 -0.59 -0.94 114.38 117.19 1riq h ARG 402 Ca 0.27 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1riq h ARG 402 Cb -0.09 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 1riq h ARG 402 CO -0.06 0.61 0.04 0.93 -1.51 0.00 0.00 179.97 179.98 1riq h GLU 403 N 0.95 0.00 -0.16 0.20 5.08 -1.15 0.14 114.58 119.65 1riq h GLU 403 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1riq h GLU 403 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1riq h GLU 403 CO -0.06 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.58 1riq n LYS 404 N -2.37 2.47 -0.95 2.33 4.76 -0.44 -4.97 118.16 118.99 1riq n LYS 404 Ca -0.02 -2.35 0.00 0.00 -2.87 0.00 0.00 58.31 53.08 1riq n LYS 404 Cb 0.08 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1riq n LYS 404 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1riq n GLY 405 N -0.55 0.82 3.92 0.72 0.00 0.48 -5.02 105.19 105.55 1riq n GLY 405 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1riq n GLY 405 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1riq s LEU 406 N 0.00 4.15 0.52 0.99 1.43 -0.69 -4.95 118.68 120.13 1riq s LEU 406 Ca 0.00 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1riq s LEU 406 Cb 0.00 -3.34 -0.00 0.00 0.03 0.00 0.00 46.19 42.88 1riq s LEU 406 CO 0.00 -0.11 0.07 -0.83 0.23 0.00 0.00 176.35 175.71 1riq s GLY 407 N -3.15 2.94 -0.08 -3.19 0.00 -1.15 -2.68 107.32 100.01 1riq s GLY 407 Ca 0.41 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.68 1riq s GLY 407 CO 0.29 -2.16 -0.09 -0.26 0.00 0.00 0.00 173.10 170.88 1riq s ILE 408 N -2.87 3.48 -0.87 0.90 -4.36 -1.26 -0.75 121.20 115.47 1riq s ILE 408 Ca 0.09 -0.55 -0.25 0.00 -0.26 0.00 0.00 60.65 59.69 1riq s ILE 408 Cb 0.01 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 1riq s ILE 408 CO 0.05 0.58 1.80 -0.62 0.24 0.00 0.00 174.94 176.99 1riq s ASP 409 N -0.52 5.49 0.30 4.36 2.15 0.06 -4.84 116.67 123.67 1riq s ASP 409 Ca 0.07 -0.67 -0.01 0.00 0.43 0.00 0.00 52.55 52.37 1riq s ASP 409 Cb -0.12 -2.56 0.46 0.00 -0.30 0.00 0.00 42.92 40.40 1riq s ASP 409 CO 0.02 -2.39 1.93 -0.07 -0.17 0.00 0.00 175.17 174.49 1riq h LEU 410 N 16.37 0.87 0.00 -1.34 3.38 -1.96 -0.25 115.31 132.39 1riq h LEU 410 Ca 0.04 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1riq h LEU 410 Cb 1.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1riq h LEU 410 CO 1.26 0.69 -0.56 -0.08 0.09 0.00 0.00 178.44 179.84 1riq h GLU 411 N 1.00 0.00 0.00 1.13 4.57 -2.00 -2.58 114.58 116.69 1riq h GLU 411 Ca 0.26 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.30 1riq h GLU 411 Cb -0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1riq h GLU 411 CO -0.04 0.30 -0.64 0.78 -1.18 0.00 0.00 179.01 178.23 1riq h GLY 412 N 3.70 0.00 1.15 1.92 0.00 -1.86 -2.77 103.07 105.21 1riq h GLY 412 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.06 1riq h GLY 412 CO 0.04 0.00 -0.91 -2.75 0.00 0.00 0.00 176.54 172.92 1riq h PHE 413 N 0.00 1.01 0.29 5.60 3.57 -1.02 -2.66 116.94 123.72 1riq h PHE 413 Ca -0.01 -0.52 -0.01 0.00 3.53 0.00 0.00 57.97 60.97 1riq h PHE 413 Cb 1.45 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1riq h PHE 413 CO 0.00 1.35 -0.17 0.37 -2.23 0.00 0.00 178.31 177.63 1riq h GLN 414 N 0.39 -0.42 -0.75 1.11 5.75 -1.46 0.12 115.11 119.84 1riq h GLN 414 Ca -0.10 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1riq h GLN 414 Cb 1.56 0.10 -0.07 0.00 1.07 0.00 0.00 27.48 30.14 1riq h GLN 414 CO 0.18 -0.28 0.42 0.00 -2.65 0.00 0.00 178.83 176.50 1riq h GLU 416 N 0.73 0.31 0.00 0.00 4.57 -1.13 -0.39 114.58 118.66 1riq h GLU 416 Ca 0.35 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.36 1riq h GLU 416 Cb 0.29 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1riq h GLU 416 CO -0.22 0.48 -0.43 -0.07 -1.18 0.00 0.00 179.01 177.59 1riq h LEU 417 N 0.29 0.00 0.09 1.64 3.38 0.13 -2.26 115.31 118.57 1riq h LEU 417 Ca 0.05 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.74 1riq h LEU 417 Cb 0.48 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.26 1riq h LEU 417 CO 0.03 0.43 -1.15 -0.33 0.09 0.00 0.00 178.44 177.51 1riq h GLU 418 N 0.00 0.62 -0.61 1.13 5.08 -0.50 -2.96 114.58 117.35 1riq h GLU 418 Ca -0.00 -0.79 0.01 0.00 -1.00 0.00 0.00 59.36 57.58 1riq h GLU 418 Cb 0.81 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1riq h GLU 418 CO 0.06 1.35 0.40 0.93 -1.00 0.00 0.00 179.01 180.75 1riq h GLU 419 N 0.26 0.79 -0.33 2.33 5.08 -0.91 0.40 114.58 122.19 1riq h GLU 419 Ca -0.17 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1riq h GLU 419 Cb 1.83 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 1riq h GLU 419 CO 0.22 0.52 -0.04 1.96 -1.00 0.00 0.00 179.01 180.67 1riq h GLN 420 N 0.81 0.53 0.53 2.33 1.08 -1.49 0.15 115.11 119.05 1riq h GLN 420 Ca 0.23 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1riq h GLN 420 Cb -0.07 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1riq h GLN 420 CO -0.06 0.59 -0.25 -0.09 -0.95 0.00 0.00 178.83 178.06 1riq h ARG 421 N 0.50 -0.69 -0.48 1.46 9.65 -1.09 0.56 114.38 124.29 1riq h ARG 421 Ca 0.10 0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.07 1riq h ARG 421 Cb 0.39 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 1riq h ARG 421 CO 0.02 -0.40 0.32 1.49 2.80 0.00 0.00 179.97 184.20 1riq h GLU 422 N -0.87 0.49 -0.15 0.20 4.81 -0.79 0.38 114.58 118.65 1riq h GLU 422 Ca -0.07 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 58.94 1riq h GLU 422 Cb 0.60 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1riq h GLU 422 CO 0.12 0.32 -0.65 -0.09 -0.73 0.00 0.00 179.01 177.99 1riq h ARG 423 N 0.50 0.70 -0.14 1.92 2.43 -0.46 -2.69 114.38 116.64 1riq h ARG 423 Ca 0.20 -0.55 -0.11 0.00 -0.81 0.00 0.00 59.98 58.71 1riq h ARG 423 Cb 0.17 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1riq h ARG 423 CO -0.05 1.17 -0.38 0.00 -1.51 0.00 0.00 179.97 179.20 1riq h ALA 424 N 0.53 1.10 0.00 2.80 0.00 0.11 0.18 119.26 123.98 1riq h ALA 424 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1riq h ALA 424 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1riq h ALA 424 CO 0.13 0.58 -0.02 0.54 0.00 0.00 0.00 179.25 180.49 1riq n ARG 425 N -4.05 0.12 0.00 0.00 3.00 0.03 -4.62 116.66 111.15 1riq n ARG 425 Ca -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 1riq n ARG 425 Cb 0.47 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.29 1riq n ARG 425 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1riq n LYS 426 N -1.84 0.00 -0.29 5.56 5.02 -1.02 -5.08 118.16 120.51 1riq n LYS 426 Ca 0.06 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 1riq n LYS 426 Cb 0.38 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.60 1riq n LYS 426 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1riq h HIS 427 N 0.00 0.01 -3.29 2.13 -0.00 -0.86 -3.50 115.15 109.64 1riq h HIS 427 Ca 0.00 0.06 -0.67 0.00 -0.00 0.00 0.00 60.37 59.76 1riq h HIS 427 Cb 0.00 0.13 -0.32 0.00 -0.00 0.00 0.00 27.41 27.22 1riq h HIS 427 CO 0.00 -0.29 -0.79 -1.25 -0.00 0.00 0.00 177.93 175.60 1riq s PRO 437 N -6.06 3.07 -0.09 5.26 0.04 -1.26 -5.03 135.00 130.93 1riq s PRO 437 Ca -0.13 -0.80 -0.01 0.00 0.04 0.00 0.00 61.00 60.10 1riq s PRO 437 Cb 0.25 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 32.00 1riq s PRO 437 CO 0.76 -0.25 -0.04 0.08 0.04 0.00 0.00 177.00 177.59 1riq s VAL 438 N 1.36 0.70 -0.11 -0.36 1.01 -1.26 -5.10 120.40 116.64 1riq s VAL 438 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1riq s VAL 438 Cb -0.14 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1riq s VAL 438 CO -0.08 0.31 0.06 -0.47 0.00 0.00 0.00 175.10 174.92 1riq s TYR 439 N 1.73 3.32 -0.01 5.22 5.04 -1.26 -4.80 117.35 126.59 1riq s TYR 439 Ca 0.03 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.95 1riq s TYR 439 Cb -0.13 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.32 1riq s TYR 439 CO -0.06 0.53 0.02 0.45 -1.34 0.00 0.00 175.55 175.15 1riq s SER 440 N -0.80 -0.02 0.44 4.32 0.15 -1.26 -5.14 113.70 111.39 1riq s SER 440 Ca 0.13 0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.60 1riq s SER 440 Cb -0.12 0.05 -0.08 0.00 -1.71 0.00 0.00 66.02 64.16 1riq s SER 440 CO 0.03 -0.01 1.06 -1.00 1.20 0.00 0.00 173.24 174.52 1riq s HIS 441 N 0.02 3.10 0.49 3.44 3.76 -1.26 -4.92 115.29 119.92 1riq s HIS 441 Ca -0.00 1.60 -0.21 0.00 -0.15 0.00 0.00 55.06 56.30 1riq s HIS 441 Cb -0.00 -3.14 -0.07 0.00 1.11 0.00 0.00 32.58 30.47 1riq s HIS 441 CO 0.00 -0.85 1.11 -1.17 -0.85 0.00 0.00 174.74 172.98 1riq s LEU 442 N -3.04 3.88 0.00 0.89 0.20 -1.26 -2.02 118.68 117.34 1riq s LEU 442 Ca 0.63 2.13 0.00 0.00 0.69 0.00 0.00 54.13 57.57 1riq s LEU 442 Cb -0.21 -4.45 0.00 0.00 -0.43 0.00 0.00 46.19 41.10 1riq s LEU 442 CO 0.26 -0.95 0.00 0.29 -0.29 0.00 0.00 176.35 175.65 1riq n LYS 443 N -0.88 0.00 -0.00 1.98 5.02 -1.26 -4.70 118.16 118.33 1riq n LYS 443 Ca 0.09 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.42 1riq n LYS 443 Cb 0.50 -0.61 -0.05 0.00 -0.02 0.00 0.00 35.03 34.85 1riq n LYS 443 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1riq n GLU 444 N -2.00 3.93 -0.15 1.97 -0.58 -0.85 -4.67 120.64 118.29 1riq n GLU 444 Ca 0.00 -0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1riq n GLU 444 Cb 0.00 -0.93 0.05 0.00 -0.57 0.00 0.00 31.44 29.99 1riq n GLU 444 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1riq h LEU 445 N 0.00 -0.25 -0.30 -4.62 3.38 -1.78 0.65 115.31 112.38 1riq h LEU 445 Ca 0.00 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1riq h LEU 445 Cb 0.22 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1riq h LEU 445 CO 0.00 -0.09 -0.03 1.23 0.09 0.00 0.00 178.44 179.64 1riq h GLY 446 N 0.09 0.26 0.96 0.83 0.00 -1.89 0.61 103.07 103.93 1riq h GLY 446 Ca 0.24 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1riq h GLY 446 CO -0.42 -0.09 -0.10 0.50 0.00 0.00 0.00 176.54 176.44 1riq h LYS 447 N 0.05 -0.25 -0.86 4.80 1.57 -1.64 -2.78 116.57 117.46 1riq h LYS 447 Ca 0.15 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 1riq h LYS 447 Cb 0.21 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1riq h LYS 447 CO -0.27 -0.16 0.56 1.15 -0.57 0.00 0.00 179.45 180.16 1riq h THR 448 N -0.26 1.08 0.00 -0.16 2.02 -0.65 -2.23 112.91 112.72 1riq h THR 448 Ca -0.02 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1riq h THR 448 Cb 0.21 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1riq h THR 448 CO 0.02 0.18 0.05 0.77 0.37 0.00 0.00 175.52 176.91 1riq h SER 449 N 1.00 0.00 1.71 4.18 4.64 -0.58 0.64 113.55 125.14 1riq h SER 449 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1riq h SER 449 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1riq h SER 449 CO -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 1riq h ALA 450 N 1.89 1.00 -0.01 5.18 0.00 -1.45 -3.32 119.26 122.55 1riq h ALA 450 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1riq h ALA 450 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1riq h ALA 450 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1riq n PHE 451 N -2.69 0.01 -4.14 0.00 3.72 0.18 -4.81 117.46 109.74 1riq n PHE 451 Ca 0.05 -0.16 -0.11 0.00 -0.05 0.00 0.00 57.45 57.18 1riq n PHE 451 Cb 0.47 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.90 1riq n PHE 451 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1riq s VAL 452 N -0.39 0.61 0.52 -4.37 -7.23 -0.97 -4.27 120.40 104.31 1riq s VAL 452 Ca 0.02 -1.75 -0.10 0.00 -1.81 0.00 0.00 61.98 58.34 1riq s VAL 452 Cb 0.01 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 1riq s VAL 452 CO 0.01 -0.79 0.89 -0.83 -0.31 0.00 0.00 175.10 174.08 1riq s GLY 453 N -2.74 1.71 0.47 2.32 0.00 -0.49 -4.73 107.32 103.85 1riq s GLY 453 Ca 0.07 -0.22 0.20 0.00 0.00 0.00 0.00 44.72 44.77 1riq s GLY 453 CO -0.04 0.00 1.94 0.00 0.00 0.00 0.00 173.10 175.00 1riq h ALA 454 N 0.30 2.30 0.00 3.20 0.00 -1.90 -0.98 119.26 122.19 1riq h ALA 454 Ca -0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1riq h ALA 454 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1riq h ALA 454 CO 0.62 -0.50 -0.45 0.00 0.00 0.00 0.00 179.25 178.93 1riq h ALA 455 N 1.67 1.04 -0.18 0.00 0.00 -1.92 -3.01 119.26 116.86 1riq h ALA 455 Ca 0.34 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1riq h ALA 455 Cb 0.98 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1riq h ALA 455 CO -0.07 0.56 -0.29 0.00 0.00 0.00 0.00 179.25 179.45 1riq h ALA 456 N 1.55 1.18 -0.03 0.00 0.00 -1.42 -3.51 119.26 117.03 1riq h ALA 456 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1riq h ALA 456 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1riq h ALA 456 CO 0.06 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.12