#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ruq s VAL 2 N 0.00 3.11 0.00 3.84 1.01 -1.26 -4.21 120.40 122.88 1ruq s VAL 2 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1ruq s VAL 2 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 1ruq s VAL 2 CO 0.00 0.11 -0.00 -1.10 0.00 0.00 0.00 175.10 174.10 1ruq s GLN 3 N 0.28 0.03 -0.27 2.72 -0.21 -0.55 -4.99 119.66 116.67 1ruq s GLN 3 Ca 0.60 -0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.97 1ruq s GLN 3 Cb -0.38 -0.02 0.08 0.00 1.00 0.00 0.00 33.01 33.68 1ruq s GLN 3 CO 0.36 0.01 0.00 -0.51 -2.12 0.00 0.00 175.29 173.03 1ruq s LEU 4 N -0.03 2.85 -0.35 2.90 1.43 -1.26 -1.46 118.68 122.75 1ruq s LEU 4 Ca -0.00 -1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 51.52 1ruq s LEU 4 Cb -0.00 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 1ruq s LEU 4 CO -0.00 -0.30 0.26 -1.61 0.23 0.00 0.00 176.35 174.93 1ruq s GLU 5 N 1.37 3.40 0.26 1.70 0.41 0.37 -4.07 118.70 122.14 1ruq s GLU 5 Ca 0.01 -0.70 -0.04 0.00 -0.41 0.00 0.00 54.97 53.83 1ruq s GLU 5 Cb -0.18 -3.84 -0.05 0.00 -1.78 0.00 0.00 34.13 28.28 1ruq s GLU 5 CO -0.11 -0.51 0.50 -1.21 -0.49 0.00 0.00 175.26 173.44 1ruq s GLU 6 N 1.74 3.60 0.92 1.61 2.02 -1.26 -0.19 118.70 127.13 1ruq s GLU 6 Ca 0.06 -0.10 -0.11 0.00 0.02 0.00 0.00 54.97 54.84 1ruq s GLU 6 Cb -0.18 -2.71 0.14 0.00 0.10 0.00 0.00 34.13 31.48 1ruq s GLU 6 CO 0.11 0.28 1.09 -1.54 0.02 0.00 0.00 175.26 175.22 1ruq s SER 7 N -3.13 3.20 0.97 -0.19 1.04 -0.94 -4.98 113.70 109.67 1ruq s SER 7 Ca 0.42 1.62 -0.12 0.00 0.48 0.00 0.00 55.95 58.35 1ruq s SER 7 Cb -0.11 -2.28 0.17 0.00 0.10 0.00 0.00 66.02 63.91 1ruq s SER 7 CO 0.29 -2.83 1.09 -0.83 0.98 0.00 0.00 173.24 171.95 1ruq s GLY 8 N -3.21 1.58 0.65 7.32 0.00 -1.26 -4.65 107.32 107.75 1ruq s GLY 8 Ca 0.64 -0.31 -0.17 0.00 0.00 0.00 0.00 44.72 44.88 1ruq s GLY 8 CO 0.58 0.28 0.72 -1.05 0.00 0.00 0.00 173.10 173.63 1ruq n PRO 9 N -4.10 0.55 -4.44 2.90 -0.02 -1.26 -4.76 135.00 123.87 1ruq n PRO 9 Ca 0.06 0.23 -0.20 0.00 -2.02 0.00 0.00 63.50 61.57 1ruq n PRO 9 Cb 0.57 -1.96 -0.15 0.00 -0.02 0.00 0.00 33.50 31.94 1ruq n PRO 9 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ruq s GLU 10 N -2.69 0.88 -0.21 -0.52 0.41 0.67 -4.97 118.70 112.26 1ruq s GLU 10 Ca 0.71 -0.45 0.01 0.00 -0.41 0.00 0.00 54.97 54.83 1ruq s GLU 10 Cb -0.39 -0.85 0.05 0.00 -1.78 0.00 0.00 34.13 31.16 1ruq s GLU 10 CO 0.52 0.23 -0.08 -1.17 -0.49 0.00 0.00 175.26 174.27 1ruq s LEU 11 N -0.41 2.39 0.06 1.80 2.96 -1.26 -0.76 118.68 123.47 1ruq s LEU 11 Ca 0.03 -1.01 0.04 0.00 -0.22 0.00 0.00 54.13 52.97 1ruq s LEU 11 Cb -0.05 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1ruq s LEU 11 CO -0.00 -0.19 -0.11 0.68 -1.32 0.00 0.00 176.35 175.41 1ruq s VAL 12 N 1.40 0.89 0.40 1.68 -7.23 -0.37 -4.99 120.40 112.18 1ruq s VAL 12 Ca -0.03 -1.27 -0.23 0.00 -1.81 0.00 0.00 61.98 58.64 1ruq s VAL 12 Cb -0.17 -0.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.72 1ruq s VAL 12 CO -0.07 -0.32 0.97 -0.13 -0.31 0.00 0.00 175.10 175.23 1ruq s ARG 13 N -1.81 4.29 0.67 4.82 0.52 -1.25 -1.46 118.95 124.72 1ruq s ARG 13 Ca -0.04 1.24 -0.17 0.00 -0.52 0.00 0.00 55.73 56.24 1ruq s ARG 13 Cb -0.09 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.99 1ruq s ARG 13 CO 0.01 0.01 1.28 -1.25 0.02 0.00 0.00 175.30 175.38 1ruq s PRO 14 N -2.79 2.42 0.00 3.54 0.04 -1.26 -2.77 135.00 134.18 1ruq s PRO 14 Ca 0.59 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1ruq s PRO 14 Cb -0.14 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1ruq s PRO 14 CO 0.18 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.94 1ruq n GLY 15 N 0.84 2.39 0.34 0.56 0.00 0.14 -4.88 105.19 104.58 1ruq n GLY 15 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1ruq n GLY 15 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ruq n THR 16 N -2.00 0.00 -4.19 2.61 -2.24 -1.11 -4.35 114.28 103.00 1ruq n THR 16 Ca 0.00 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.45 1ruq n THR 16 Cb 0.00 -1.16 -0.12 0.00 -2.10 0.00 0.00 70.33 66.95 1ruq n THR 16 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ruq s SER 17 N -1.34 1.75 0.03 3.42 0.01 -1.26 -2.35 113.70 113.96 1ruq s SER 17 Ca 0.06 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.64 1ruq s SER 17 Cb -0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1ruq s SER 17 CO 0.04 -0.12 -0.07 0.54 0.41 0.00 0.00 173.24 174.04 1ruq s VAL 18 N -1.68 0.48 -0.11 3.43 0.11 -0.65 -4.99 120.40 116.99 1ruq s VAL 18 Ca 0.02 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 1ruq s VAL 18 Cb -0.08 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1ruq s VAL 18 CO 0.02 -0.31 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.63 1ruq s LYS 19 N -1.34 1.74 0.12 1.54 2.20 -1.26 -1.06 119.74 121.67 1ruq s LYS 19 Ca -0.09 -0.35 0.06 0.00 -0.36 0.00 0.00 55.97 55.24 1ruq s LYS 19 Cb -0.09 -1.67 -0.04 0.00 -1.51 0.00 0.00 37.83 34.52 1ruq s LYS 19 CO 0.00 -0.20 -0.04 0.96 -0.36 0.00 0.00 175.35 175.71 1ruq s ILE 20 N 1.46 3.67 0.33 5.43 -4.36 -0.26 -4.95 121.20 122.52 1ruq s ILE 20 Ca 0.01 -1.22 0.09 0.00 -0.26 0.00 0.00 60.65 59.27 1ruq s ILE 20 Cb -0.13 -2.76 -0.05 0.00 1.25 0.00 0.00 42.46 40.77 1ruq s ILE 20 CO -0.06 0.06 0.04 -0.94 0.24 0.00 0.00 174.94 174.27 1ruq s SER 21 N -2.42 4.33 -0.30 4.36 1.04 -1.26 -1.49 113.70 117.96 1ruq s SER 21 Ca 0.24 -0.90 -0.01 0.00 0.48 0.00 0.00 55.95 55.76 1ruq s SER 21 Cb -0.11 -0.61 0.12 0.00 0.10 0.00 0.00 66.02 65.52 1ruq s SER 21 CO 0.16 -0.22 0.23 0.00 0.98 0.00 0.00 173.24 174.40 1ruq s LYS 23 N 2.04 4.17 0.09 0.00 2.20 0.73 -1.24 119.74 127.73 1ruq s LYS 23 Ca 0.11 0.78 0.01 0.00 -0.36 0.00 0.00 55.97 56.51 1ruq s LYS 23 Cb -0.16 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1ruq s LYS 23 CO -0.28 -0.44 0.19 0.00 -0.36 0.00 0.00 175.35 174.46 1ruq s ALA 24 N 2.57 3.87 0.18 3.13 0.00 -0.21 -0.48 121.76 130.82 1ruq s ALA 24 Ca 0.31 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 1ruq s ALA 24 Cb -0.15 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.31 1ruq s ALA 24 CO 0.08 0.74 0.55 -1.54 0.00 0.00 0.00 175.76 175.59 1ruq s SER 25 N -2.65 -0.35 0.00 0.00 1.04 -0.54 -4.82 113.70 106.37 1ruq s SER 25 Ca 0.33 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1ruq s SER 25 Cb -0.12 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ruq s SER 25 CO 0.26 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1ruq n GLY 26 N -0.35 0.72 3.80 7.32 0.00 -1.26 -1.49 105.19 113.94 1ruq n GLY 26 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1ruq n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ruq s TYR 27 N -2.46 -0.05 -0.68 1.61 1.13 -1.26 -4.46 117.35 111.18 1ruq s TYR 27 Ca 0.00 -0.32 -0.27 0.00 -1.41 0.00 0.00 57.07 55.07 1ruq s TYR 27 Cb 0.00 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.54 1ruq s TYR 27 CO 0.00 -0.92 1.58 0.99 -2.51 0.00 0.00 175.55 174.68 1ruq s THR 28 N -2.87 3.53 0.29 -3.49 2.01 -1.26 -4.87 115.64 108.99 1ruq s THR 28 Ca 0.16 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.49 1ruq s THR 28 Cb -0.02 -4.42 0.31 0.00 0.01 0.00 0.00 72.50 68.38 1ruq s THR 28 CO 0.04 -1.37 1.66 0.15 -0.69 0.00 0.00 174.62 174.41 1ruq h PHE 29 N 12.56 0.47 0.00 4.92 3.57 -1.95 -0.48 116.94 136.03 1ruq h PHE 29 Ca -0.27 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1ruq h PHE 29 Cb 1.11 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1ruq h PHE 29 CO 1.09 -0.17 0.00 0.25 -2.23 0.00 0.00 178.31 177.24 1ruq n THR 30 N -5.17 0.23 1.09 4.41 -2.24 -1.26 -3.74 114.28 107.60 1ruq n THR 30 Ca 0.22 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.18 1ruq n THR 30 Cb 0.70 -0.66 0.14 0.00 -2.10 0.00 0.00 70.33 68.42 1ruq n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ruq n ASN 31 N -1.28 2.07 -4.09 3.42 4.13 -0.19 -2.45 115.26 116.88 1ruq n ASN 31 Ca 0.11 -1.54 -0.13 0.00 1.68 0.00 0.00 54.58 54.70 1ruq n ASN 31 Cb 0.19 0.24 -0.11 0.00 -1.54 0.00 0.00 39.78 38.56 1ruq n ASN 31 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1ruq s TYR 32 N -2.30 0.74 0.35 3.10 1.51 -1.25 -5.05 117.35 114.46 1ruq s TYR 32 Ca 0.24 -0.57 -0.25 0.00 -1.01 0.00 0.00 57.07 55.48 1ruq s TYR 32 Cb 0.19 -0.44 -0.10 0.00 -0.11 0.00 0.00 41.96 41.50 1ruq s TYR 32 CO 0.47 -0.09 0.96 -1.58 -1.11 0.00 0.00 175.55 174.20 1ruq s TRP 33 N -1.78 3.57 -0.08 2.71 0.52 -1.26 -4.37 118.94 118.24 1ruq s TRP 33 Ca -0.06 1.73 0.05 0.00 0.02 0.00 0.00 56.10 57.85 1ruq s TRP 33 Cb -0.07 -2.95 -0.01 0.00 -1.15 0.00 0.00 33.47 29.29 1ruq s TRP 33 CO -0.00 0.02 -0.24 -0.51 0.02 0.00 0.00 176.95 176.24 1ruq s LEU 34 N -2.31 2.13 0.36 2.99 1.43 -0.00 -1.24 118.68 122.04 1ruq s LEU 34 Ca 0.53 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1ruq s LEU 34 Cb -0.18 -1.40 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 1ruq s LEU 34 CO 0.23 0.21 -0.05 -0.83 0.23 0.00 0.00 176.35 176.14 1ruq s GLY 35 N 0.04 2.25 -0.03 -3.19 0.00 0.65 -0.27 107.32 106.78 1ruq s GLY 35 Ca -0.10 -2.12 0.03 0.00 0.00 0.00 0.00 44.72 42.54 1ruq s GLY 35 CO 0.06 -2.02 -0.10 -0.98 0.00 0.00 0.00 173.10 170.05 1ruq s TRP 36 N -2.61 1.06 0.10 1.90 0.52 -0.25 -0.89 118.94 118.77 1ruq s TRP 36 Ca 0.34 -0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.24 1ruq s TRP 36 Cb 0.04 -0.74 -0.03 0.00 -1.15 0.00 0.00 33.47 31.58 1ruq s TRP 36 CO 0.17 -0.10 -0.13 0.14 0.02 0.00 0.00 176.95 177.05 1ruq s VAL 37 N 0.13 1.18 -0.08 4.03 -7.23 -0.20 -0.59 120.40 117.64 1ruq s VAL 37 Ca -0.02 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1ruq s VAL 37 Cb -0.09 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 1ruq s VAL 37 CO 0.01 -0.37 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.53 1ruq s LYS 38 N -2.35 2.88 -0.20 4.82 2.20 0.15 -1.13 119.74 126.12 1ruq s LYS 38 Ca 0.04 -0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1ruq s LYS 38 Cb -0.06 -2.47 0.06 0.00 -1.51 0.00 0.00 37.83 33.85 1ruq s LYS 38 CO 0.02 0.43 0.01 -1.14 -0.36 0.00 0.00 175.35 174.31 1ruq s GLN 39 N -0.22 0.90 0.40 4.03 0.74 -0.28 -0.51 119.66 124.73 1ruq s GLN 39 Ca 0.00 -0.53 -0.15 0.00 0.05 0.00 0.00 55.36 54.73 1ruq s GLN 39 Cb -0.13 -2.17 -0.09 0.00 1.10 0.00 0.00 33.01 31.72 1ruq s GLN 39 CO 0.03 -0.61 0.83 1.03 -0.55 0.00 0.00 175.29 176.02 1ruq s ARG 40 N 1.75 3.98 -0.27 1.67 0.52 -1.26 -1.32 118.95 124.03 1ruq s ARG 40 Ca -0.02 0.76 -0.40 0.00 -0.52 0.00 0.00 55.73 55.55 1ruq s ARG 40 Cb -0.17 -2.32 -0.16 0.00 0.52 0.00 0.00 34.95 32.82 1ruq s ARG 40 CO -0.07 -0.00 1.74 -2.30 0.02 0.00 0.00 175.30 174.68 1ruq n PRO 41 N -0.87 1.17 -0.98 3.54 -0.02 -1.26 -0.33 135.00 136.24 1ruq n PRO 41 Ca 0.04 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1ruq n PRO 41 Cb 0.54 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1ruq n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ruq n GLY 42 N 4.16 0.44 3.82 -1.23 0.00 -1.26 -5.01 105.19 106.11 1ruq n GLY 42 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1ruq n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ruq s HIS 43 N -2.00 1.81 0.00 1.61 3.76 0.55 -5.15 115.29 115.86 1ruq s HIS 43 Ca 0.00 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1ruq s HIS 43 Cb 0.00 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1ruq s HIS 43 CO 0.00 -0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.25 1ruq n GLY 44 N -1.46 1.13 3.55 -2.22 0.00 -1.26 -4.62 105.19 100.31 1ruq n GLY 44 Ca -0.11 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1ruq n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ruq s PHE 45 N 0.85 2.72 -0.09 1.61 0.08 -1.26 -4.11 117.98 117.79 1ruq s PHE 45 Ca 0.00 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1ruq s PHE 45 Cb 0.00 -1.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1ruq s PHE 45 CO 0.00 0.38 -0.08 -1.21 -0.10 0.00 0.00 175.22 174.21 1ruq s GLU 46 N -1.87 1.44 0.15 0.44 2.02 0.34 -4.96 118.70 116.25 1ruq s GLU 46 Ca 0.19 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 1ruq s GLU 46 Cb -0.11 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.62 1ruq s GLU 46 CO 0.10 -0.18 1.06 -0.46 0.02 0.00 0.00 175.26 175.80 1ruq s TRP 47 N 1.41 3.66 -0.25 1.61 -0.00 -1.26 0.33 118.94 124.44 1ruq s TRP 47 Ca -0.01 1.65 -0.07 0.00 -0.00 0.00 0.00 56.10 57.67 1ruq s TRP 47 Cb -0.13 -3.21 -0.13 0.00 -0.00 0.00 0.00 33.47 30.00 1ruq s TRP 47 CO -0.04 -0.38 -0.28 -0.89 -0.00 0.00 0.00 176.95 175.36 1ruq n ILE 48 N 2.63 1.39 0.00 5.86 5.41 0.25 -4.71 119.36 130.19 1ruq n ILE 48 Ca 0.03 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1ruq n ILE 48 Cb 0.47 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 1ruq n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ruq n GLY 49 N 1.79 1.58 3.34 7.39 0.00 -1.21 -1.05 105.19 117.04 1ruq n GLY 49 Ca -0.47 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 1ruq n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ruq s ASP 50 N 0.00 2.86 -0.01 1.61 1.01 0.64 -1.09 116.67 121.69 1ruq s ASP 50 Ca 0.00 -0.80 0.01 0.00 0.71 0.00 0.00 52.55 52.46 1ruq s ASP 50 Cb 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.75 1ruq s ASP 50 CO 0.00 0.04 -0.02 -0.51 0.21 0.00 0.00 175.17 174.89 1ruq s ILE 51 N -1.63 0.20 -0.35 0.77 2.07 0.63 -1.25 121.20 121.64 1ruq s ILE 51 Ca 0.14 -0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.25 1ruq s ILE 51 Cb -0.08 -0.19 0.07 0.00 0.13 0.00 0.00 42.46 42.39 1ruq s ILE 51 CO 0.07 0.07 0.11 -0.47 -1.91 0.00 0.00 174.94 172.81 1ruq s TYR 52 N 0.09 3.35 0.56 3.50 5.04 0.18 -0.82 117.35 129.25 1ruq s TYR 52 Ca -0.01 -1.84 0.25 0.00 -2.44 0.00 0.00 57.07 53.04 1ruq s TYR 52 Cb -0.03 -2.54 1.61 0.00 0.35 0.00 0.00 41.96 41.35 1ruq s TYR 52 CO -0.00 -0.83 2.21 -1.35 -1.34 0.00 0.00 175.55 174.24 1ruq h PRO 52 N 8.13 0.00 0.00 4.97 0.11 -1.81 0.30 132.00 143.70 1ruq h PRO 52 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1ruq h PRO 52 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ruq h PRO 52 CO 0.62 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 1ruq n GLY 53 N -1.36 -0.68 0.00 -0.55 0.00 -1.02 -3.49 105.19 98.08 1ruq n GLY 53 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ruq n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ruq n GLY 54 N -0.84 0.15 2.10 -0.02 0.00 -1.19 -5.04 105.19 100.35 1ruq n GLY 54 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1ruq n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ruq n VAL 55 N 0.00 -5.30 -4.35 1.61 0.31 0.10 -5.07 118.33 105.64 1ruq n VAL 55 Ca 0.00 0.14 -0.29 0.00 -0.01 0.00 0.00 64.34 64.18 1ruq n VAL 55 Cb 0.00 -5.15 -0.12 0.00 -0.91 0.00 0.00 33.84 27.66 1ruq n VAL 55 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ruq s TYR 56 N -2.32 2.45 0.03 3.52 2.02 -0.94 -4.95 117.35 117.17 1ruq s TYR 56 Ca 0.05 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1ruq s TYR 56 Cb -0.01 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 1ruq s TYR 56 CO 0.31 0.36 -0.04 0.95 -1.57 0.00 0.00 175.55 175.57 1ruq s THR 57 N -1.11 0.21 -0.08 -0.71 -4.23 -1.26 -0.64 115.64 107.81 1ruq s THR 57 Ca 0.16 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1ruq s THR 57 Cb -0.10 -0.52 0.02 0.00 1.34 0.00 0.00 72.50 73.24 1ruq s THR 57 CO 0.08 -0.56 -0.10 0.42 -0.54 0.00 0.00 174.62 173.92 1ruq s THR 58 N -1.83 1.08 0.23 3.99 -4.23 -0.38 -4.98 115.64 109.52 1ruq s THR 58 Ca -0.11 -0.40 0.09 0.00 -1.18 0.00 0.00 61.69 60.09 1ruq s THR 58 Cb -0.07 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 1ruq s THR 58 CO -0.02 0.36 -0.17 0.20 -0.54 0.00 0.00 174.62 174.45 1ruq s ASN 59 N 1.09 2.94 -0.49 3.99 -0.87 -1.26 -0.26 114.94 120.08 1ruq s ASN 59 Ca -0.07 -1.01 -0.23 0.00 -1.57 0.00 0.00 52.86 49.99 1ruq s ASN 59 Cb -0.14 -0.20 0.03 0.00 -0.02 0.00 0.00 41.25 40.92 1ruq s ASN 59 CO -0.01 -0.08 0.82 0.21 -2.57 0.00 0.00 177.10 175.46 1ruq s ASN 60 N -3.31 6.37 0.24 -1.22 3.84 -0.22 -4.91 114.94 115.73 1ruq s ASN 60 Ca 0.24 -0.27 0.12 0.00 0.21 0.00 0.00 52.86 53.17 1ruq s ASN 60 Cb -0.03 -2.39 0.66 0.00 -0.55 0.00 0.00 41.25 38.95 1ruq s ASN 60 CO 0.10 -1.01 1.30 -0.62 -2.79 0.00 0.00 177.10 174.07 1ruq n GLU 61 N 6.88 0.08 0.29 0.43 -0.58 -1.26 -0.75 120.64 125.74 1ruq n GLU 61 Ca 0.01 0.54 0.18 0.00 -0.42 0.00 0.00 57.16 57.47 1ruq n GLU 61 Cb 0.48 -1.93 0.84 0.00 -0.57 0.00 0.00 31.44 30.26 1ruq n GLU 61 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1ruq h LYS 62 N 0.00 0.00 -0.50 3.49 3.64 -1.96 -2.06 116.57 119.18 1ruq h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ruq h LYS 62 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ruq h LYS 62 CO 0.00 0.02 0.00 1.19 -2.27 0.00 0.00 179.45 178.39 1ruq n PHE 63 N -3.16 1.39 -1.67 1.91 3.01 0.07 -5.00 117.46 114.02 1ruq n PHE 63 Ca -0.01 -0.69 -0.49 0.00 1.01 0.00 0.00 57.45 57.27 1ruq n PHE 63 Cb 0.23 -0.31 -0.05 0.00 -0.01 0.00 0.00 39.48 39.35 1ruq n PHE 63 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ruq n ARG 64 N 0.54 1.92 -0.94 -1.08 0.63 -0.78 -0.36 116.66 116.59 1ruq n ARG 64 Ca 0.24 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 1ruq n ARG 64 Cb 0.92 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 31.35 1ruq n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ruq n GLY 65 N 3.81 0.88 0.04 5.14 0.00 -1.26 -4.82 105.19 108.98 1ruq n GLY 65 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ruq n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ruq n LYS 66 N -2.18 1.78 -4.17 1.61 3.00 0.51 -4.87 118.16 113.84 1ruq n LYS 66 Ca 0.00 0.02 -0.16 0.00 -0.00 0.00 0.00 58.31 58.17 1ruq n LYS 66 Cb 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 35.03 33.72 1ruq n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ruq s ALA 67 N -2.18 0.77 -0.07 3.14 0.00 -0.96 -4.03 121.76 118.43 1ruq s ALA 67 Ca -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1ruq s ALA 67 Cb 0.03 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1ruq s ALA 67 CO 0.26 0.09 0.16 -1.50 0.00 0.00 0.00 175.76 174.77 1ruq s ILE 68 N -0.97 -0.03 -0.09 0.00 2.07 -0.88 -4.89 121.20 116.42 1ruq s ILE 68 Ca -0.04 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.28 1ruq s ILE 68 Cb -0.08 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 1ruq s ILE 68 CO 0.01 0.04 0.05 -0.76 -1.91 0.00 0.00 174.94 172.37 1ruq s LEU 69 N 0.75 3.84 0.16 8.50 1.43 -1.26 -1.81 118.68 130.28 1ruq s LEU 69 Ca -0.06 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1ruq s LEU 69 Cb -0.07 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1ruq s LEU 69 CO -0.04 0.37 0.15 0.42 0.23 0.00 0.00 176.35 177.48 1ruq s THR 70 N -0.96 0.07 -0.06 5.49 -4.23 -0.71 -5.01 115.64 110.24 1ruq s THR 70 Ca 0.15 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1ruq s THR 70 Cb -0.12 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.65 1ruq s THR 70 CO 0.04 -0.32 0.16 0.00 -0.54 0.00 0.00 174.62 173.97 1ruq s ALA 71 N -4.05 -0.40 -0.46 3.99 0.00 -1.26 -0.30 121.76 119.28 1ruq s ALA 71 Ca 0.25 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 1ruq s ALA 71 Cb 0.06 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 23.05 1ruq s ALA 71 CO 0.04 -0.08 0.28 0.34 0.00 0.00 0.00 175.76 176.33 1ruq s ASP 72 N 0.01 5.38 0.31 0.00 -1.08 0.26 -4.97 116.67 116.58 1ruq s ASP 72 Ca -0.01 -2.13 -0.00 0.00 -0.52 0.00 0.00 52.55 49.89 1ruq s ASP 72 Cb -0.01 -1.88 0.51 0.00 -1.46 0.00 0.00 42.92 40.08 1ruq s ASP 72 CO 0.00 -0.55 1.96 0.74 0.52 0.00 0.00 175.17 177.84 1ruq h THR 73 N 6.13 1.15 0.00 1.71 2.02 -1.92 -0.96 112.91 121.04 1ruq h THR 73 Ca -0.13 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1ruq h THR 73 Cb 1.04 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1ruq h THR 73 CO 0.74 0.19 -0.06 0.77 0.37 0.00 0.00 175.52 177.53 1ruq h SER 74 N 1.04 0.00 -0.08 4.18 4.64 -1.96 -2.74 113.55 118.62 1ruq h SER 74 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1ruq h SER 74 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1ruq h SER 74 CO -0.09 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 174.39 1ruq n SER 75 N -3.66 2.10 -4.04 4.97 3.41 -0.89 -5.00 113.62 110.51 1ruq n SER 75 Ca -0.02 -1.86 -0.29 0.00 -0.26 0.00 0.00 58.87 56.44 1ruq n SER 75 Cb 0.16 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1ruq n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ruq n SER 76 N -0.16 -1.21 -4.11 4.04 7.64 -0.42 -4.76 113.62 114.64 1ruq n SER 76 Ca 0.03 -1.01 -0.26 0.00 1.01 0.00 0.00 58.87 58.63 1ruq n SER 76 Cb 0.26 -2.93 -0.16 0.00 -1.01 0.00 0.00 64.21 60.37 1ruq n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ruq s THR 77 N -3.78 1.40 0.02 0.44 2.01 -0.97 -1.04 115.64 113.72 1ruq s THR 77 Ca 0.22 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 1ruq s THR 77 Cb -0.12 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 1ruq s THR 77 CO 0.90 0.41 0.11 0.00 -0.69 0.00 0.00 174.62 175.35 1ruq s ALA 78 N 0.27 3.69 0.11 7.40 0.00 -0.37 -0.58 121.76 132.29 1ruq s ALA 78 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1ruq s ALA 78 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1ruq s ALA 78 CO 0.03 0.73 -0.14 0.71 0.00 0.00 0.00 175.76 177.09 1ruq s TYR 79 N -1.29 1.35 -0.05 0.00 2.02 0.59 -0.65 117.35 119.32 1ruq s TYR 79 Ca 0.26 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1ruq s TYR 79 Cb -0.12 -0.72 0.03 0.00 -0.40 0.00 0.00 41.96 40.75 1ruq s TYR 79 CO 0.18 0.12 0.00 1.41 -1.57 0.00 0.00 175.55 175.69 1ruq s MET 80 N -2.44 0.43 -0.12 -0.62 -2.45 -0.55 -1.73 119.30 111.82 1ruq s MET 80 Ca 0.06 0.11 -0.01 0.00 -1.25 0.00 0.00 55.69 54.60 1ruq s MET 80 Cb -0.06 -0.72 -0.02 0.00 1.25 0.00 0.00 34.83 35.28 1ruq s MET 80 CO 0.03 -0.22 -0.08 -1.14 1.05 0.00 0.00 175.02 174.66 1ruq s GLN 81 N 1.54 3.26 0.34 4.11 0.74 -0.75 -1.10 119.66 127.79 1ruq s GLN 81 Ca -0.02 -0.58 0.09 0.00 0.05 0.00 0.00 55.36 54.90 1ruq s GLN 81 Cb -0.13 -2.72 -0.06 0.00 1.10 0.00 0.00 33.01 31.21 1ruq s GLN 81 CO -0.03 0.39 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.56 1ruq s LEU 82 N -0.06 2.89 0.00 3.68 1.43 -0.22 -2.07 118.68 124.32 1ruq s LEU 82 Ca 0.00 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1ruq s LEU 82 Cb -0.13 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1ruq s LEU 82 CO 0.03 -0.21 0.00 -1.20 0.23 0.00 0.00 176.35 175.20 1ruq n SER 82 N -0.89 0.00 -4.77 2.29 7.64 -1.06 -1.63 113.62 115.20 1ruq n SER 82 Ca -0.05 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.43 1ruq n SER 82 Cb 0.63 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1ruq n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ruq s LEU 82 N -2.88 4.26 0.22 -3.43 1.43 -0.99 -4.59 118.68 112.71 1ruq s LEU 82 Ca 0.00 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 1ruq s LEU 82 Cb 0.00 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 1ruq s LEU 82 CO 0.00 -0.86 0.14 0.42 0.23 0.00 0.00 176.35 176.28 1ruq s THR 83 N -1.19 0.09 0.39 5.49 -4.23 -1.26 0.27 115.64 115.20 1ruq s THR 83 Ca 0.55 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.40 1ruq s THR 83 Cb -0.42 -2.52 0.34 0.00 1.34 0.00 0.00 72.50 71.24 1ruq s THR 83 CO 0.55 0.00 2.02 0.77 -0.54 0.00 0.00 174.62 177.42 1ruq h SER 84 N 2.53 0.00 0.87 3.99 4.64 -1.97 0.16 113.55 123.77 1ruq h SER 84 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1ruq h SER 84 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ruq h SER 84 CO 0.53 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.16 1ruq h GLU 85 N 0.00 0.00 -0.01 4.77 4.39 -1.95 -2.25 114.58 119.53 1ruq h GLU 85 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ruq h GLU 85 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1ruq h GLU 85 CO 0.00 0.00 -0.40 -0.25 -1.16 0.00 0.00 179.01 177.20 1ruq n ASP 86 N -2.46 1.11 -4.68 1.42 8.00 0.57 -4.87 116.55 115.63 1ruq n ASP 86 Ca 0.02 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 1ruq n ASP 86 Cb 0.27 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1ruq n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ruq s SER 87 N -2.63 6.76 0.00 -2.24 0.01 -0.85 -4.88 113.70 109.87 1ruq s SER 87 Ca 0.19 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1ruq s SER 87 Cb 0.18 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1ruq s SER 87 CO 0.59 -0.80 0.00 0.00 0.41 0.00 0.00 173.24 173.44 1ruq n ALA 88 N 5.76 0.00 -2.95 1.44 0.00 -0.33 -4.70 120.51 119.73 1ruq n ALA 88 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1ruq n ALA 88 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 1ruq n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ruq s VAL 89 N -2.42 4.15 -0.15 0.00 1.01 -0.43 -0.75 120.40 121.80 1ruq s VAL 89 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1ruq s VAL 89 Cb 0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1ruq s VAL 89 CO 0.00 0.47 -0.04 -0.31 0.00 0.00 0.00 175.10 175.22 1ruq s TYR 90 N 0.52 3.03 0.05 5.22 1.51 -0.07 -1.12 117.35 126.48 1ruq s TYR 90 Ca -0.01 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 1ruq s TYR 90 Cb -0.14 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1ruq s TYR 90 CO 0.02 -0.02 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.23 1ruq s PHE 91 N 0.32 2.65 0.11 2.71 0.08 -0.28 -0.70 117.98 122.86 1ruq s PHE 91 Ca -0.04 -0.20 0.07 0.00 0.12 0.00 0.00 56.93 56.88 1ruq s PHE 91 Cb -0.14 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1ruq s PHE 91 CO 0.03 0.32 -0.08 0.00 -0.10 0.00 0.00 175.22 175.39 1ruq s ALA 93 N -1.26 -0.58 0.03 0.00 0.00 -0.07 -1.26 121.76 118.62 1ruq s ALA 93 Ca 0.22 0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 1ruq s ALA 93 Cb -0.11 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1ruq s ALA 93 CO 0.15 -0.24 0.31 0.50 0.00 0.00 0.00 175.76 176.47 1ruq s ARG 94 N -1.37 3.63 -0.41 0.00 3.52 0.71 -0.25 118.95 124.78 1ruq s ARG 94 Ca -0.14 -0.01 -0.19 0.00 -0.13 0.00 0.00 55.73 55.26 1ruq s ARG 94 Cb -0.06 -3.05 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1ruq s ARG 94 CO 0.03 0.62 0.55 0.00 -0.81 0.00 0.00 175.30 175.69 1ruq s ALA 95 N -1.33 3.40 0.65 6.12 0.00 -0.37 -1.47 121.76 128.76 1ruq s ALA 95 Ca 0.29 -1.24 0.17 0.00 0.00 0.00 0.00 51.96 51.18 1ruq s ALA 95 Cb -0.13 -3.15 0.85 0.00 0.00 0.00 0.00 23.12 20.69 1ruq s ALA 95 CO 0.17 -1.57 1.46 0.78 0.00 0.00 0.00 175.76 176.59 1ruq h GLY 96 N 9.35 0.00 0.00 0.00 0.00 -1.89 -3.40 103.07 107.12 1ruq h GLY 96 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1ruq h GLY 96 CO 0.83 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.98 1ruq n GLY 97 N -1.43 -0.62 3.55 4.60 0.00 -1.26 -4.97 105.19 105.06 1ruq n GLY 97 Ca 0.03 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1ruq n GLY 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ruq s TYR 98 N -2.23 2.37 -1.28 1.61 5.04 -1.26 -4.14 117.35 117.46 1ruq s TYR 98 Ca 0.00 -0.29 -0.06 0.00 -2.44 0.00 0.00 57.07 54.28 1ruq s TYR 98 Cb 0.00 -4.64 -0.01 0.00 0.35 0.00 0.00 41.96 37.67 1ruq s TYR 98 CO 0.00 -2.02 0.65 0.66 -1.34 0.00 0.00 175.55 173.49 1ruq n TYR 99 N 9.17 -1.85 -0.01 4.97 4.01 -1.26 -5.24 117.16 126.95 1ruq n TYR 99 Ca 0.11 0.71 -0.00 0.00 -0.16 0.00 0.00 57.90 58.56 1ruq n TYR 99 Cb 0.49 -3.93 -0.01 0.00 -0.31 0.00 0.00 39.34 35.58 1ruq n TYR 99 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1ruq n THR 100 N -4.24 0.08 -1.65 -0.72 -2.24 -1.26 -5.11 114.28 99.14 1ruq n THR 100 Ca -0.24 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 1ruq n THR 100 Cb 0.66 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 1ruq n THR 100 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ruq s GLY 100 N -2.93 -0.25 0.22 3.38 0.00 -1.26 -4.47 107.32 102.01 1ruq s GLY 100 Ca -0.01 -0.04 0.24 0.00 0.00 0.00 0.00 44.72 44.92 1ruq s GLY 100 CO 0.07 3.99 1.45 1.29 0.00 0.00 0.00 173.10 179.89 1ruq h ASP 101 N 18.42 0.00 -3.70 1.64 2.03 -1.61 -3.45 116.42 129.76 1ruq h ASP 101 Ca -0.26 -0.08 -0.35 0.00 -0.73 0.00 0.00 57.03 55.61 1ruq h ASP 101 Cb 1.25 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.44 1ruq h ASP 101 CO 1.15 0.04 -0.76 -0.31 -1.03 0.00 0.00 179.24 178.33 1ruq s TYR 102 N -3.19 0.53 0.10 4.15 2.02 -1.24 -5.00 117.35 114.72 1ruq s TYR 102 Ca 0.06 -0.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.74 1ruq s TYR 102 Cb 0.11 -0.43 -0.03 0.00 -0.40 0.00 0.00 41.96 41.20 1ruq s TYR 102 CO 0.69 -0.08 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.79 1ruq s TRP 103 N 0.40 1.83 0.87 2.71 0.52 -1.26 -0.21 118.94 123.80 1ruq s TRP 103 Ca -0.05 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.53 1ruq s TRP 103 Cb -0.08 -1.01 0.14 0.00 -1.15 0.00 0.00 33.47 31.37 1ruq s TRP 103 CO -0.00 0.21 1.23 0.20 0.02 0.00 0.00 176.95 178.61 1ruq s GLY 104 N -1.86 1.69 0.00 0.98 0.00 -0.39 -4.64 107.32 103.11 1ruq s GLY 104 Ca 0.07 -0.96 0.30 0.00 0.00 0.00 0.00 44.72 44.12 1ruq s GLY 104 CO 0.04 -0.34 2.00 0.61 0.00 0.00 0.00 173.10 175.41 1ruq n GLN 105 N -3.50 0.55 0.00 2.90 0.00 -1.26 -4.80 117.38 111.28 1ruq n GLN 105 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.04 1ruq n GLN 105 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1ruq n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ruq n GLY 106 N 1.26 -0.61 3.02 2.61 0.00 -1.26 -5.02 105.19 105.19 1ruq n GLY 106 Ca 0.15 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1ruq n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ruq s THR 107 N -2.96 1.54 -0.13 2.61 2.01 0.12 -4.91 115.64 113.93 1ruq s THR 107 Ca 0.00 -0.62 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 1ruq s THR 107 Cb 0.00 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1ruq s THR 107 CO 0.00 0.45 0.85 -0.55 -0.69 0.00 0.00 174.62 174.68 1ruq s SER 108 N 1.46 7.03 -0.13 3.53 0.15 -1.26 -0.89 113.70 123.59 1ruq s SER 108 Ca 0.04 1.26 0.02 0.00 0.70 0.00 0.00 55.95 57.97 1ruq s SER 108 Cb -0.13 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1ruq s SER 108 CO -0.10 -0.35 -0.19 -0.69 1.20 0.00 0.00 173.24 173.11 1ruq s VAL 109 N 1.82 1.84 -0.15 4.45 1.01 0.07 -0.24 120.40 129.21 1ruq s VAL 109 Ca 0.41 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1ruq s VAL 109 Cb -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1ruq s VAL 109 CO 0.15 0.51 -0.18 -0.89 0.00 0.00 0.00 175.10 174.69 1ruq s THR 110 N 0.92 2.44 -0.33 3.92 2.01 0.06 -1.19 115.64 123.46 1ruq s THR 110 Ca -0.06 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 1ruq s THR 110 Cb -0.15 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.37 1ruq s THR 110 CO -0.03 0.53 0.14 -0.69 -0.69 0.00 0.00 174.62 173.88 1ruq s VAL 111 N 0.83 4.26 0.12 3.82 1.01 -1.26 -1.24 120.40 127.94 1ruq s VAL 111 Ca -0.06 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1ruq s VAL 111 Cb -0.15 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 33.00 1ruq s VAL 111 CO -0.01 -0.07 0.59 -0.55 0.00 0.00 0.00 175.10 175.06 1ruq s SER 112 N 1.52 -0.55 0.07 3.32 0.15 -0.54 -4.33 113.70 113.35 1ruq s SER 112 Ca 0.02 0.08 0.23 0.00 0.70 0.00 0.00 55.95 56.98 1ruq s SER 112 Cb -0.18 0.58 0.12 0.00 -1.71 0.00 0.00 66.02 64.82 1ruq s SER 112 CO 0.05 -0.90 1.10 -1.20 1.20 0.00 0.00 173.24 173.48 1ruq n SER 113 N -0.16 0.63 -4.73 5.45 7.64 -1.26 -3.88 113.62 117.32 1ruq n SER 113 Ca -0.17 -0.11 -0.37 0.00 1.01 0.00 0.00 58.87 59.23 1ruq n SER 113 Cb 0.64 0.64 0.07 0.00 -1.01 0.00 0.00 64.21 64.54 1ruq n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ruq s ALA 114 N -3.20 2.34 0.32 -0.43 0.00 -1.26 -5.00 121.76 114.53 1ruq s ALA 114 Ca 0.04 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 1ruq s ALA 114 Cb 0.14 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1ruq s ALA 114 CO 0.78 -1.65 0.67 0.15 0.00 0.00 0.00 175.76 175.71 1ruq s LYS 115 N -3.42 3.83 0.20 0.00 -0.14 -1.26 -5.03 119.74 113.90 1ruq s LYS 115 Ca 0.82 0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 55.53 1ruq s LYS 115 Cb -0.37 -2.51 -0.09 0.00 -1.68 0.00 0.00 37.83 33.18 1ruq s LYS 115 CO 0.40 0.15 1.36 0.99 -0.76 0.00 0.00 175.35 177.49 1ruq s THR 116 N -2.07 3.09 -0.05 2.17 2.01 -1.26 -4.78 115.64 114.75 1ruq s THR 116 Ca 0.50 0.88 -0.01 0.00 0.31 0.00 0.00 61.69 63.37 1ruq s THR 116 Cb -0.11 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1ruq s THR 116 CO 0.24 0.12 0.00 -0.89 -0.69 0.00 0.00 174.62 173.41 1ruq s THR 117 N 0.26 0.29 0.71 -0.82 2.01 0.51 -4.95 115.64 113.64 1ruq s THR 117 Ca 0.59 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.55 1ruq s THR 117 Cb -0.38 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 71.74 1ruq s THR 117 CO 0.38 0.21 1.14 -2.16 -0.69 0.00 0.00 174.62 173.50 1ruq s PRO 118 N 1.56 2.42 0.45 4.92 0.04 -1.26 -1.45 135.00 141.68 1ruq s PRO 118 Ca -0.02 1.49 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 1ruq s PRO 118 Cb -0.13 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1ruq s PRO 118 CO -0.03 -1.56 0.93 -1.25 0.04 0.00 0.00 177.00 175.13 1ruq s PRO 119 N -4.15 4.08 -0.20 0.56 0.04 -1.26 -4.37 135.00 129.69 1ruq s PRO 119 Ca 0.69 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 1ruq s PRO 119 Cb -0.23 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1ruq s PRO 119 CO 0.45 -0.10 0.06 -1.12 0.04 0.00 0.00 177.00 176.34 1ruq s SER 120 N -2.56 5.46 -0.21 6.66 0.01 -0.54 -4.95 113.70 117.56 1ruq s SER 120 Ca 0.59 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.80 1ruq s SER 120 Cb -0.10 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.17 1ruq s SER 120 CO 0.21 0.10 -0.03 -0.69 0.41 0.00 0.00 173.24 173.24 1ruq s VAL 121 N 0.79 3.52 -0.09 3.43 1.01 -1.26 -0.90 120.40 126.90 1ruq s VAL 121 Ca 0.03 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1ruq s VAL 121 Cb -0.14 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1ruq s VAL 121 CO 0.02 0.42 -0.15 -0.31 0.00 0.00 0.00 175.10 175.08 1ruq s TYR 122 N 1.33 2.72 0.39 5.22 2.02 -0.04 -4.96 117.35 124.04 1ruq s TYR 122 Ca 0.04 -0.52 -0.25 0.00 -0.37 0.00 0.00 57.07 55.97 1ruq s TYR 122 Cb -0.14 -1.74 -0.09 0.00 -0.40 0.00 0.00 41.96 39.59 1ruq s TYR 122 CO -0.01 -0.10 1.09 -1.25 -1.57 0.00 0.00 175.55 173.71 1ruq s PRO 123 N -0.05 4.16 -0.34 -1.71 0.04 -1.26 -0.70 135.00 135.13 1ruq s PRO 123 Ca -0.04 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1ruq s PRO 123 Cb -0.14 -2.64 0.10 0.00 0.04 0.00 0.00 34.50 31.86 1ruq s PRO 123 CO 0.04 -0.18 0.07 -0.51 0.04 0.00 0.00 177.00 176.46 1ruq s LEU 124 N -2.50 4.38 0.12 -3.56 1.43 0.91 -4.87 118.68 114.59 1ruq s LEU 124 Ca 0.57 -2.13 0.09 0.00 -1.03 0.00 0.00 54.13 51.63 1ruq s LEU 124 Cb -0.26 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1ruq s LEU 124 CO 0.32 -0.38 -0.18 0.00 0.23 0.00 0.00 176.35 176.34 1ruq s ALA 125 N 0.94 2.68 -0.44 4.21 0.00 -1.26 -1.52 121.76 126.38 1ruq s ALA 125 Ca 0.11 -1.37 -0.42 0.00 0.00 0.00 0.00 51.96 50.29 1ruq s ALA 125 Cb -0.19 -0.64 -0.17 0.00 0.00 0.00 0.00 23.12 22.12 1ruq s ALA 125 CO -0.10 0.58 2.02 -2.30 0.00 0.00 0.00 175.76 175.97 1ruq n PRO 126 N 0.76 0.38 0.00 0.00 -0.02 -1.26 -4.94 135.00 129.92 1ruq n PRO 126 Ca -0.15 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1ruq n PRO 126 Cb 0.53 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1ruq n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ruq n GLY 127 N 6.36 0.82 2.81 -1.23 0.00 -1.26 -4.92 105.19 107.77 1ruq n GLY 127 Ca 0.45 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1ruq n GLY 127 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ruq n SER 128 N 0.00 4.72 0.00 1.61 2.88 -1.26 -4.54 113.62 117.03 1ruq n SER 128 Ca 0.00 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1ruq n SER 128 Cb 0.00 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 61.92 1ruq n SER 128 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ruq n ALA 129 N 4.59 0.00 -0.33 -1.46 0.00 -1.26 -5.08 120.51 116.97 1ruq n ALA 129 Ca 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 1ruq n ALA 129 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 1ruq n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ruq n ALA 130 N 0.00 0.16 -2.09 0.00 0.00 -1.26 -4.70 120.51 112.61 1ruq n ALA 130 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1ruq n ALA 130 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1ruq n ALA 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ruq s GLN 133 N 1.78 3.46 0.93 0.00 2.00 -1.26 -4.85 119.66 121.71 1ruq s GLN 133 Ca 0.30 1.35 0.00 0.00 -2.00 0.00 0.00 55.36 55.01 1ruq s GLN 133 Cb -0.23 -4.13 0.00 0.00 0.80 0.00 0.00 33.01 29.44 1ruq s GLN 133 CO 0.12 -1.71 0.00 2.41 -0.50 0.00 0.00 175.29 175.61 1ruq n THR 134 N 7.21 0.00 0.00 -0.34 -1.04 -1.26 -4.73 114.28 114.12 1ruq n THR 134 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1ruq n THR 134 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1ruq n THR 134 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1ruq n ASN 135 N -3.71 0.00 -0.03 8.00 0.23 -1.26 -4.93 115.26 113.56 1ruq n ASN 135 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.91 1ruq n ASN 135 Cb 0.00 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 1ruq n ASN 135 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1ruq n SER 136 N -0.33 1.31 -4.15 0.53 2.88 -1.26 -4.56 113.62 108.05 1ruq n SER 136 Ca 0.00 0.23 -0.14 0.00 -1.33 0.00 0.00 58.87 57.63 1ruq n SER 136 Cb 0.00 -0.24 -0.11 0.00 -0.75 0.00 0.00 64.21 63.11 1ruq n SER 136 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1ruq s MET 137 N -2.56 0.77 -0.01 -1.46 -1.94 -1.26 -1.33 119.30 111.51 1ruq s MET 137 Ca -0.15 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 1ruq s MET 137 Cb 0.07 -0.49 -0.00 0.00 2.01 0.00 0.00 34.83 36.42 1ruq s MET 137 CO 0.78 0.08 -0.04 0.54 -0.01 0.00 0.00 175.02 176.37 1ruq s VAL 138 N -2.14 0.33 -0.15 -6.03 0.11 -0.14 -4.50 120.40 107.88 1ruq s VAL 138 Ca 0.01 -0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 58.85 1ruq s VAL 138 Cb -0.05 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1ruq s VAL 138 CO 0.00 0.10 0.00 -0.89 -3.33 0.00 0.00 175.10 170.98 1ruq s THR 139 N -0.01 4.25 0.42 5.04 2.01 -1.26 -1.48 115.64 124.61 1ruq s THR 139 Ca 0.01 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1ruq s THR 139 Cb -0.03 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 1ruq s THR 139 CO -0.00 0.50 0.03 -0.76 -0.69 0.00 0.00 174.62 173.70 1ruq s LEU 140 N 0.17 2.46 0.10 4.42 1.43 -0.11 -4.58 118.68 122.56 1ruq s LEU 140 Ca 0.01 -1.49 -0.25 0.00 -1.03 0.00 0.00 54.13 51.37 1ruq s LEU 140 Cb -0.13 -0.64 0.09 0.00 0.03 0.00 0.00 46.19 45.53 1ruq s LEU 140 CO 0.02 -0.65 1.14 -0.83 0.23 0.00 0.00 176.35 176.26 1ruq s GLY 141 N -3.69 -0.04 -0.01 -3.19 0.00 -0.57 -0.98 107.32 98.84 1ruq s GLY 141 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1ruq s GLY 141 CO 0.13 3.16 -0.01 0.00 0.00 0.00 0.00 173.10 176.38 1ruq s LEU 143 N 0.22 3.33 -0.31 0.00 2.96 0.12 -1.77 118.68 123.22 1ruq s LEU 143 Ca -0.02 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1ruq s LEU 143 Cb -0.04 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1ruq s LEU 143 CO -0.01 0.01 0.10 -0.69 -1.32 0.00 0.00 176.35 174.45 1ruq s VAL 144 N 1.32 4.05 0.08 1.68 1.01 0.15 -0.86 120.40 127.82 1ruq s VAL 144 Ca 0.04 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1ruq s VAL 144 Cb -0.15 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1ruq s VAL 144 CO 0.02 0.01 -0.15 -0.75 0.00 0.00 0.00 175.10 174.23 1ruq s LYS 145 N 1.50 0.85 -0.84 2.72 2.20 -0.08 -0.46 119.74 125.63 1ruq s LYS 145 Ca 0.02 -0.98 -0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1ruq s LYS 145 Cb -0.18 -0.87 0.00 0.00 -1.51 0.00 0.00 37.83 35.28 1ruq s LYS 145 CO 0.03 0.19 0.42 0.41 -0.36 0.00 0.00 175.35 176.04 1ruq n GLY 146 N 1.23 0.04 3.72 5.54 0.00 -0.66 -1.47 105.19 113.59 1ruq n GLY 146 Ca -0.21 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1ruq n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ruq s TYR 147 N -2.96 2.73 -0.28 1.61 1.13 -1.10 -4.61 117.35 113.87 1ruq s TYR 147 Ca 0.21 -0.32 -0.23 0.00 -1.41 0.00 0.00 57.07 55.31 1ruq s TYR 147 Cb -0.09 -1.52 0.12 0.00 -1.10 0.00 0.00 41.96 39.37 1ruq s TYR 147 CO 0.26 0.42 0.96 0.12 -2.51 0.00 0.00 175.55 174.80 1ruq s PHE 148 N -2.38 -0.57 0.10 -3.49 5.36 -0.53 -0.32 117.98 116.15 1ruq s PHE 148 Ca 0.36 1.31 0.01 0.00 -0.96 0.00 0.00 56.93 57.65 1ruq s PHE 148 Cb -0.04 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 1ruq s PHE 148 CO 0.22 -0.27 0.14 -0.35 -1.46 0.00 0.00 175.22 173.50 1ruq n PRO 149 N 2.65 0.76 -1.97 10.12 -0.04 -1.26 -0.37 135.00 144.89 1ruq n PRO 149 Ca -0.14 -0.47 -0.32 0.00 -0.04 0.00 0.00 63.50 62.52 1ruq n PRO 149 Cb 0.56 -0.07 0.02 0.00 -0.04 0.00 0.00 33.50 33.97 1ruq n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ruq s GLU 150 N -2.58 3.24 0.54 0.54 0.41 -1.26 -4.77 118.70 114.83 1ruq s GLU 150 Ca 0.10 1.18 0.04 0.00 -0.41 0.00 0.00 54.97 55.88 1ruq s GLU 150 Cb -0.01 -2.02 0.03 0.00 -1.78 0.00 0.00 34.13 30.35 1ruq s GLU 150 CO 0.07 -0.87 0.27 -1.25 -0.49 0.00 0.00 175.26 172.98 1ruq s PRO 151 N -4.20 2.23 0.12 0.39 0.04 -1.26 -4.96 135.00 127.36 1ruq s PRO 151 Ca 0.63 -2.19 0.07 0.00 0.04 0.00 0.00 61.00 59.56 1ruq s PRO 151 Cb -0.16 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1ruq s PRO 151 CO 0.39 -0.56 -0.17 0.14 0.04 0.00 0.00 177.00 176.84 1ruq s VAL 152 N -2.83 1.56 -0.16 -0.36 -7.23 -1.26 -4.47 120.40 105.64 1ruq s VAL 152 Ca 0.22 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1ruq s VAL 152 Cb -0.01 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.34 1ruq s VAL 152 CO 0.14 -0.25 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.68 1ruq s THR 153 N -1.70 3.12 -0.14 5.32 2.01 0.11 -4.94 115.64 119.43 1ruq s THR 153 Ca 0.09 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1ruq s THR 153 Cb -0.07 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 1ruq s THR 153 CO 0.04 0.49 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.64 1ruq s VAL 154 N 0.78 2.88 0.19 3.82 1.01 -1.26 -1.04 120.40 126.79 1ruq s VAL 154 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1ruq s VAL 154 Cb -0.15 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1ruq s VAL 154 CO 0.01 0.52 0.04 0.42 0.00 0.00 0.00 175.10 176.09 1ruq s THR 156 N 0.56 0.53 -0.03 3.92 -4.23 -0.64 -4.98 115.64 110.76 1ruq s THR 156 Ca -0.09 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1ruq s THR 156 Cb -0.16 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 1ruq s THR 156 CO 0.04 -0.31 -0.20 0.26 -0.54 0.00 0.00 174.62 173.87 1ruq s TRP 157 N -3.77 1.90 -1.50 3.99 0.52 -1.26 -0.27 118.94 118.56 1ruq s TRP 157 Ca 0.29 -0.47 -0.07 0.00 0.02 0.00 0.00 56.10 55.87 1ruq s TRP 157 Cb 0.07 -1.25 0.05 0.00 -1.15 0.00 0.00 33.47 31.19 1ruq s TRP 157 CO 0.07 -0.12 0.61 0.09 0.02 0.00 0.00 176.95 177.62 1ruq n ASN 162 N 2.87 -1.76 -2.40 2.95 3.02 0.14 -0.43 115.26 119.65 1ruq n ASN 162 Ca -0.17 -0.97 -0.16 0.00 -0.03 0.00 0.00 54.58 53.26 1ruq n ASN 162 Cb 0.53 -3.15 -0.01 0.00 -0.61 0.00 0.00 39.78 36.54 1ruq n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ruq n SER 163 N -2.88 -4.77 0.00 6.41 7.64 -1.26 -1.87 113.62 116.88 1ruq n SER 163 Ca -0.16 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1ruq n SER 163 Cb 0.61 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 1ruq n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ruq n GLY 164 N -0.88 1.35 0.18 0.23 0.00 0.43 -4.93 105.19 101.58 1ruq n GLY 164 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1ruq n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ruq h SER 165 N 0.00 0.00 -3.60 1.61 4.64 -1.29 -3.40 113.55 111.51 1ruq h SER 165 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1ruq h SER 165 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 1ruq h SER 165 CO 0.00 0.00 -0.59 -0.22 -0.87 0.00 0.00 176.83 175.15 1ruq s LEU 166 N -5.31 4.63 0.00 5.97 2.96 -1.07 -4.92 118.68 120.95 1ruq s LEU 166 Ca 0.06 -1.49 0.00 0.00 -0.22 0.00 0.00 54.13 52.48 1ruq s LEU 166 Cb 0.09 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1ruq s LEU 166 CO 0.55 -0.41 0.00 -1.54 -1.32 0.00 0.00 176.35 173.63 1ruq n SER 167 N 4.73 4.19 -4.77 3.68 3.41 -1.26 -4.09 113.62 119.50 1ruq n SER 167 Ca -0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.14 1ruq n SER 167 Cb 0.43 0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.83 1ruq n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ruq s SER 168 N -2.56 6.43 -0.81 4.04 0.01 -1.26 -3.31 113.70 116.24 1ruq s SER 168 Ca 0.00 2.31 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1ruq s SER 168 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1ruq s SER 168 CO 0.00 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.52 1ruq n GLY 169 N 0.55 0.95 3.86 3.44 0.00 -1.26 -4.70 105.19 108.02 1ruq n GLY 169 Ca 0.05 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1ruq n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ruq s VAL 171 N -2.20 5.49 -0.23 1.61 1.01 -1.21 -1.61 120.40 123.26 1ruq s VAL 171 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1ruq s VAL 171 Cb 0.00 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 33.04 1ruq s VAL 171 CO 0.00 0.60 0.06 -1.00 0.00 0.00 0.00 175.10 174.76 1ruq s HIS 172 N -0.85 1.06 -0.32 5.22 3.76 0.10 -4.99 115.29 119.27 1ruq s HIS 172 Ca 0.14 -1.04 -0.09 0.00 -0.15 0.00 0.00 55.06 53.92 1ruq s HIS 172 Cb -0.12 -1.15 -0.00 0.00 1.11 0.00 0.00 32.58 32.42 1ruq s HIS 172 CO 0.03 -0.69 0.15 0.99 -0.85 0.00 0.00 174.74 174.37 1ruq s THR 173 N 1.84 4.52 0.38 1.30 2.01 -1.26 -0.90 115.64 123.53 1ruq s THR 173 Ca 0.03 -0.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 1ruq s THR 173 Cb -0.17 -3.34 -0.10 0.00 0.01 0.00 0.00 72.50 68.90 1ruq s THR 173 CO -0.15 0.03 0.86 -0.36 -0.69 0.00 0.00 174.62 174.30 1ruq s PHE 174 N 1.59 3.36 0.37 4.92 0.40 -0.01 -5.00 117.98 123.61 1ruq s PHE 174 Ca 0.04 1.46 -0.28 0.00 -0.60 0.00 0.00 56.93 57.54 1ruq s PHE 174 Cb -0.17 -2.72 -0.11 0.00 0.51 0.00 0.00 43.02 40.52 1ruq s PHE 174 CO 0.06 -0.01 1.46 -2.30 0.70 0.00 0.00 175.22 175.13 1ruq n PRO 175 N -0.46 2.59 -1.79 0.24 -0.02 -1.26 -4.28 135.00 130.02 1ruq n PRO 175 Ca 0.05 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 62.11 1ruq n PRO 175 Cb 0.53 -2.62 0.04 0.00 -0.02 0.00 0.00 33.50 31.44 1ruq n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ruq s ALA 176 N -1.11 2.51 -0.05 3.55 0.00 -1.26 -4.81 121.76 120.60 1ruq s ALA 176 Ca 0.54 0.52 0.04 0.00 0.00 0.00 0.00 51.96 53.05 1ruq s ALA 176 Cb -0.49 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1ruq s ALA 176 CO 0.64 -1.21 -0.17 0.14 0.00 0.00 0.00 175.76 175.16 1ruq s VAL 177 N -2.37 1.43 0.03 0.00 -7.23 -0.07 -4.93 120.40 107.26 1ruq s VAL 177 Ca 0.66 -0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 59.95 1ruq s VAL 177 Cb -0.20 -1.25 -0.06 0.00 0.56 0.00 0.00 36.38 35.44 1ruq s VAL 177 CO 0.41 0.42 0.53 -0.22 -0.31 0.00 0.00 175.10 175.93 1ruq s LEU 178 N 0.20 4.48 -0.25 1.32 2.96 -1.26 -1.58 118.68 124.55 1ruq s LEU 178 Ca -0.08 1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 54.79 1ruq s LEU 178 Cb -0.13 -2.82 0.07 0.00 0.50 0.00 0.00 46.19 43.81 1ruq s LEU 178 CO 0.03 0.23 0.64 -1.58 -1.32 0.00 0.00 176.35 174.35 1ruq s GLN 179 N -0.79 0.70 -1.49 1.98 0.74 0.04 -4.93 119.66 115.91 1ruq s GLN 179 Ca 0.28 1.00 -0.15 0.00 0.05 0.00 0.00 55.36 56.54 1ruq s GLN 179 Cb -0.18 0.25 0.12 0.00 1.10 0.00 0.00 33.01 34.30 1ruq s GLN 179 CO 0.17 -0.12 0.66 0.43 -0.55 0.00 0.00 175.29 175.88 1ruq n SER 180 N 3.41 -3.39 -0.33 6.67 7.64 -1.26 0.16 113.62 126.52 1ruq n SER 180 Ca -0.17 -0.73 -0.04 0.00 1.01 0.00 0.00 58.87 58.94 1ruq n SER 180 Cb 0.57 -2.80 -0.02 0.00 -1.01 0.00 0.00 64.21 60.95 1ruq n SER 180 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ruq n ASP 183 N -2.47 -4.12 -4.01 6.43 -0.08 -1.26 -5.01 116.55 106.03 1ruq n ASP 183 Ca 0.04 0.11 -0.17 0.00 -1.51 0.00 0.00 54.79 53.26 1ruq n ASP 183 Cb 0.51 -2.00 -0.14 0.00 2.34 0.00 0.00 41.12 41.82 1ruq n ASP 183 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1ruq s LEU 184 N -0.99 2.04 0.20 -2.67 1.43 0.12 -4.83 118.68 113.99 1ruq s LEU 184 Ca 0.00 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1ruq s LEU 184 Cb 0.00 -0.39 -0.06 0.00 0.03 0.00 0.00 46.19 45.77 1ruq s LEU 184 CO 0.00 0.07 0.47 -0.31 0.23 0.00 0.00 176.35 176.80 1ruq s TYR 185 N -0.31 3.46 -0.02 0.29 2.02 0.56 -0.78 117.35 122.56 1ruq s TYR 185 Ca 0.02 0.68 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1ruq s TYR 185 Cb -0.04 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1ruq s TYR 185 CO -0.00 0.33 0.00 0.99 -1.57 0.00 0.00 175.55 175.30 1ruq s THR 186 N -1.79 0.10 0.12 -0.71 2.01 -0.61 -1.66 115.64 113.10 1ruq s THR 186 Ca 0.44 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 1ruq s THR 186 Cb -0.12 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1ruq s THR 186 CO 0.24 0.09 0.02 -0.22 -0.69 0.00 0.00 174.62 174.06 1ruq s LEU 187 N 0.63 2.03 0.05 4.42 0.20 0.39 -0.89 118.68 125.51 1ruq s LEU 187 Ca -0.06 -1.14 -0.04 0.00 0.69 0.00 0.00 54.13 53.58 1ruq s LEU 187 Cb -0.09 0.21 -0.02 0.00 -0.43 0.00 0.00 46.19 45.86 1ruq s LEU 187 CO -0.01 -0.66 0.06 -0.55 -0.29 0.00 0.00 176.35 174.89 1ruq s SER 188 N -3.03 0.29 -0.12 3.68 0.15 -1.26 -0.67 113.70 112.73 1ruq s SER 188 Ca 0.19 -0.73 -0.06 0.00 0.70 0.00 0.00 55.95 56.06 1ruq s SER 188 Cb 0.07 0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.66 1ruq s SER 188 CO -0.01 -0.57 0.29 -0.55 1.20 0.00 0.00 173.24 173.60 1ruq s SER 189 N -2.51 -0.27 0.18 5.45 0.15 -0.73 -0.83 113.70 115.14 1ruq s SER 189 Ca 0.01 0.62 0.10 0.00 0.70 0.00 0.00 55.95 57.38 1ruq s SER 189 Cb 0.03 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1ruq s SER 189 CO -0.08 -0.18 -0.18 -0.94 1.20 0.00 0.00 173.24 173.07 1ruq s SER 190 N 1.41 3.80 -0.04 5.45 1.04 -0.08 -1.02 113.70 124.26 1ruq s SER 190 Ca -0.08 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.61 1ruq s SER 190 Cb -0.10 -0.47 0.03 0.00 0.10 0.00 0.00 66.02 65.59 1ruq s SER 190 CO -0.10 0.12 0.09 0.54 0.98 0.00 0.00 173.24 174.87 1ruq s VAL 191 N -1.64 -0.05 -0.21 5.02 0.11 -0.15 -0.72 120.40 122.76 1ruq s VAL 191 Ca 0.22 0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 59.42 1ruq s VAL 191 Cb -0.08 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1ruq s VAL 191 CO 0.12 0.08 0.00 -0.89 -3.33 0.00 0.00 175.10 171.08 1ruq s THR 192 N 1.13 3.92 0.25 5.04 2.01 -0.64 -0.93 115.64 126.42 1ruq s THR 192 Ca -0.09 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1ruq s THR 192 Cb -0.12 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 1ruq s THR 192 CO -0.05 0.42 -0.02 0.68 -0.69 0.00 0.00 174.62 174.97 1ruq s VAL 193 N 1.11 1.23 0.30 3.82 -7.23 -0.55 -4.64 120.40 114.43 1ruq s VAL 193 Ca 0.02 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 57.84 1ruq s VAL 193 Cb -0.14 -2.41 -0.11 0.00 0.56 0.00 0.00 36.38 34.28 1ruq s VAL 193 CO 0.01 -0.30 1.47 -2.84 -0.31 0.00 0.00 175.10 173.13 1ruq s PRO 194 N -3.82 4.21 0.45 4.82 0.02 -1.26 -0.97 135.00 138.45 1ruq s PRO 194 Ca 0.29 2.41 0.11 0.00 0.02 0.00 0.00 61.00 63.83 1ruq s PRO 194 Cb 0.05 -3.05 1.01 0.00 0.02 0.00 0.00 34.50 32.53 1ruq s PRO 194 CO 0.10 -0.46 2.07 0.77 -0.33 0.00 0.00 177.00 179.15 1ruq h SER 195 N 4.33 0.24 0.49 2.53 0.02 -1.45 -2.18 113.55 117.53 1ruq h SER 195 Ca -0.48 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1ruq h SER 195 Cb 1.22 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1ruq h SER 195 CO 0.73 0.21 0.00 -1.54 -1.14 0.00 0.00 176.83 175.10 1ruq n SER 196 N -4.46 0.00 -0.00 3.07 3.41 -1.26 -3.32 113.62 111.06 1ruq n SER 196 Ca -0.00 -0.01 0.08 0.00 -0.26 0.00 0.00 58.87 58.68 1ruq n SER 196 Cb 0.11 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 63.65 1ruq n SER 196 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ruq n THR 198 N -1.31 0.00 -5.05 6.66 -2.24 -0.82 -4.86 114.28 106.66 1ruq n THR 198 Ca 0.11 -0.20 -0.28 0.00 -2.27 0.00 0.00 64.05 61.41 1ruq n THR 198 Cb 0.20 0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 68.99 1ruq n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ruq s TRP 199 N -2.76 2.04 -2.02 4.78 -0.00 -1.21 0.14 118.94 119.91 1ruq s TRP 199 Ca 0.02 -0.39 0.07 0.00 -0.00 0.00 0.00 56.10 55.81 1ruq s TRP 199 Cb 0.12 -1.29 0.28 0.00 -0.00 0.00 0.00 33.47 32.58 1ruq s TRP 199 CO 0.69 -0.01 1.20 -0.35 -0.00 0.00 0.00 176.95 178.49 1ruq n PRO 200 N 2.38 1.29 -0.14 5.86 -0.04 -1.26 -4.89 135.00 138.20 1ruq n PRO 200 Ca -0.16 -0.44 -0.05 0.00 -0.04 0.00 0.00 63.50 62.80 1ruq n PRO 200 Cb 0.52 -1.14 0.03 0.00 -0.04 0.00 0.00 33.50 32.87 1ruq n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ruq h SER 202 N 0.75 0.25 -3.24 3.54 4.64 -1.86 -3.32 113.55 114.31 1ruq h SER 202 Ca 0.00 0.03 -0.74 0.00 -0.47 0.00 0.00 61.79 60.61 1ruq h SER 202 Cb 0.17 -0.01 -0.23 0.00 -0.31 0.00 0.00 62.40 62.02 1ruq h SER 202 CO 0.00 0.19 -0.29 -1.61 -0.87 0.00 0.00 176.83 174.25 1ruq s GLU 203 N -6.14 2.99 0.60 4.77 0.41 0.38 -5.05 118.70 116.66 1ruq s GLU 203 Ca -0.13 -1.44 -0.18 0.00 -0.41 0.00 0.00 54.97 52.82 1ruq s GLU 203 Cb 0.13 -4.18 -0.06 0.00 -1.78 0.00 0.00 34.13 28.24 1ruq s GLU 203 CO 0.72 -1.12 0.68 0.25 -0.49 0.00 0.00 175.26 175.31 1ruq n THR 204 N 5.23 2.76 -4.16 3.63 -2.24 -1.25 -4.57 114.28 113.67 1ruq n THR 204 Ca -0.13 -0.49 -0.24 0.00 -2.27 0.00 0.00 64.05 60.93 1ruq n THR 204 Cb 0.43 -0.85 -0.17 0.00 -2.10 0.00 0.00 70.33 67.64 1ruq n THR 204 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ruq s VAL 205 N -1.68 0.88 -0.02 2.28 1.01 -1.26 -4.98 120.40 116.63 1ruq s VAL 205 Ca 0.71 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1ruq s VAL 205 Cb -0.42 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1ruq s VAL 205 CO 0.52 0.32 -0.01 -0.89 0.00 0.00 0.00 175.10 175.04 1ruq s THR 206 N 1.24 0.19 0.01 3.92 2.01 -1.26 -0.76 115.64 120.99 1ruq s THR 206 Ca -0.05 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 1ruq s THR 206 Cb -0.14 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1ruq s THR 206 CO -0.02 0.13 0.27 0.00 -0.69 0.00 0.00 174.62 174.30 1ruq s ASN 209 N -1.72 2.99 -0.23 0.00 -0.87 0.63 -1.27 114.94 114.48 1ruq s ASN 209 Ca 0.28 -0.58 0.01 0.00 -1.57 0.00 0.00 52.86 50.99 1ruq s ASN 209 Cb -0.13 -1.39 0.04 0.00 -0.02 0.00 0.00 41.25 39.75 1ruq s ASN 209 CO 0.16 0.04 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.92 1ruq s VAL 210 N 1.02 2.34 -0.15 1.60 1.01 -0.25 -1.62 120.40 124.36 1ruq s VAL 210 Ca -0.03 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.63 1ruq s VAL 210 Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1ruq s VAL 210 CO -0.06 0.20 0.06 0.00 0.00 0.00 0.00 175.10 175.30 1ruq s ALA 211 N 1.22 3.46 -0.49 5.51 0.00 -0.21 -1.15 121.76 130.10 1ruq s ALA 211 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1ruq s ALA 211 Cb -0.17 -1.83 0.15 0.00 0.00 0.00 0.00 23.12 21.27 1ruq s ALA 211 CO -0.07 0.35 0.30 -1.58 0.00 0.00 0.00 175.76 174.77 1ruq s HIS 212 N -0.17 2.18 0.25 0.00 2.46 0.18 -0.71 115.29 119.47 1ruq s HIS 212 Ca 0.07 -2.61 -0.04 0.00 0.47 0.00 0.00 55.06 52.96 1ruq s HIS 212 Cb -0.12 -1.92 0.48 0.00 -0.13 0.00 0.00 32.58 30.89 1ruq s HIS 212 CO 0.01 -0.74 1.69 -1.35 -2.47 0.00 0.00 174.74 171.88 1ruq h PRO 213 N 6.30 0.30 -0.83 2.88 0.11 -1.78 -1.88 132.00 137.10 1ruq h PRO 213 Ca 0.06 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.36 1ruq h PRO 213 Cb 0.89 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 31.80 1ruq h PRO 213 CO 0.52 0.20 0.18 0.00 -0.21 0.00 0.00 178.00 178.68 1ruq h ALA 214 N 1.60 1.11 -0.67 -0.75 0.00 -1.91 0.36 119.26 119.00 1ruq h ALA 214 Ca 0.42 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1ruq h ALA 214 Cb 0.72 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ruq h ALA 214 CO -0.49 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 177.21 1ruq n SER 215 N -5.23 3.63 -3.96 0.00 3.41 -0.80 -4.93 113.62 105.74 1ruq n SER 215 Ca 0.18 -2.00 -0.29 0.00 -0.26 0.00 0.00 58.87 56.50 1ruq n SER 215 Cb 0.59 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1ruq n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ruq n SER 216 N 1.49 -3.20 -4.19 4.04 7.64 0.13 -4.96 113.62 114.58 1ruq n SER 216 Ca 0.23 -0.87 -0.22 0.00 1.01 0.00 0.00 58.87 59.01 1ruq n SER 216 Cb 0.57 -3.53 -0.13 0.00 -1.01 0.00 0.00 64.21 60.12 1ruq n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ruq s THR 217 N -3.46 1.33 -0.09 0.44 2.01 -0.86 -5.01 115.64 110.00 1ruq s THR 217 Ca 0.48 -1.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1ruq s THR 217 Cb -0.25 -1.19 0.04 0.00 0.01 0.00 0.00 72.50 71.11 1ruq s THR 217 CO 0.86 0.04 0.22 -0.75 -0.69 0.00 0.00 174.62 174.30 1ruq s LYS 218 N -1.27 0.19 -0.02 4.92 2.20 -1.26 0.50 119.74 125.01 1ruq s LYS 218 Ca 0.03 0.45 0.04 0.00 -0.36 0.00 0.00 55.97 56.14 1ruq s LYS 218 Cb -0.08 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.14 1ruq s LYS 218 CO 0.02 -0.14 -0.13 0.14 -0.36 0.00 0.00 175.35 174.88 1ruq s VAL 219 N 1.02 1.08 -0.15 4.02 -7.23 -0.30 -4.97 120.40 113.87 1ruq s VAL 219 Ca -0.07 -0.56 -0.02 0.00 -1.81 0.00 0.00 61.98 59.51 1ruq s VAL 219 Cb -0.09 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1ruq s VAL 219 CO -0.06 0.31 -0.08 -1.81 -0.31 0.00 0.00 175.10 173.15 1ruq s ASP 220 N -0.17 4.44 -0.19 4.85 1.01 -1.26 -1.08 116.67 124.27 1ruq s ASP 220 Ca 0.02 -0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.07 1ruq s ASP 220 Cb -0.07 -1.71 0.04 0.00 1.01 0.00 0.00 42.92 42.19 1ruq s ASP 220 CO 0.00 0.16 -0.11 -0.75 0.21 0.00 0.00 175.17 174.68 1ruq s LYS 221 N 0.41 2.13 0.10 8.23 2.47 -0.39 -4.97 119.74 127.71 1ruq s LYS 221 Ca -0.07 -0.81 -0.25 0.00 -1.56 0.00 0.00 55.97 53.28 1ruq s LYS 221 Cb -0.15 -2.39 -0.07 0.00 -1.46 0.00 0.00 37.83 33.77 1ruq s LYS 221 CO 0.04 -0.39 0.77 0.21 0.16 0.00 0.00 175.35 176.14 1ruq s LYS 222 N 1.40 4.52 -0.34 4.03 2.20 -1.26 -1.50 119.74 128.79 1ruq s LYS 222 Ca -0.00 1.11 -0.22 0.00 -0.36 0.00 0.00 55.97 56.50 1ruq s LYS 222 Cb -0.16 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1ruq s LYS 222 CO -0.09 0.41 0.70 0.42 -0.36 0.00 0.00 175.35 176.43 1ruq s ILE 223 N -0.52 4.85 0.02 5.43 -1.09 0.06 -4.97 121.20 124.98 1ruq s ILE 223 Ca 0.37 0.84 0.04 0.00 -2.23 0.00 0.00 60.65 59.67 1ruq s ILE 223 Cb -0.22 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 1ruq s ILE 223 CO 0.24 -0.28 -0.08 0.68 -1.23 0.00 0.00 174.94 174.27 1ruq s VAL 226 N 2.82 3.51 -1.25 2.92 -7.23 -1.26 -4.66 120.40 115.25 1ruq s VAL 226 Ca 0.28 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1ruq s VAL 226 Cb -0.14 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1ruq s VAL 226 CO 0.14 0.36 0.31 -2.65 -0.31 0.00 0.00 175.10 172.95