#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xna n PRO 2 N 0.00 3.00 -4.28 3.17 -0.04 -1.26 -4.89 135.00 130.70 1xna n PRO 2 Ca 0.00 -2.25 -0.18 0.00 -0.04 0.00 0.00 63.50 61.03 1xna n PRO 2 Cb 0.00 -2.31 -0.09 0.00 -0.04 0.00 0.00 33.50 31.06 1xna n PRO 2 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xna s GLU 3 N -0.38 1.64 -0.02 0.54 2.02 -1.26 -3.91 118.70 117.33 1xna s GLU 3 Ca 0.61 -1.94 -0.00 0.00 0.02 0.00 0.00 54.97 53.66 1xna s GLU 3 Cb 0.29 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.81 1xna s GLU 3 CO -0.12 -0.58 0.03 0.42 0.02 0.00 0.00 175.26 175.04 1xna s ILE 4 N -3.59 -0.04 0.28 -1.63 1.01 -0.89 -4.43 121.20 111.91 1xna s ILE 4 Ca 0.40 0.24 0.11 0.00 0.00 0.00 0.00 60.65 61.40 1xna s ILE 4 Cb 0.03 -0.11 -0.05 0.00 0.01 0.00 0.00 42.46 42.34 1xna s ILE 4 CO 0.24 0.11 -0.13 -0.13 0.00 0.00 0.00 174.94 175.03 1xna s ARG 5 N 1.27 1.91 0.39 2.79 0.52 -1.26 -3.53 118.95 121.04 1xna s ARG 5 Ca -0.07 -1.64 -0.03 0.00 -0.52 0.00 0.00 55.73 53.47 1xna s ARG 5 Cb -0.13 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1xna s ARG 5 CO -0.03 0.34 0.65 -0.51 0.02 0.00 0.00 175.30 175.77 1xna s LEU 6 N -3.57 3.87 -0.04 2.53 1.02 -1.26 -2.26 118.68 118.97 1xna s LEU 6 Ca 0.31 0.70 -0.04 0.00 0.02 0.00 0.00 54.13 55.12 1xna s LEU 6 Cb -0.05 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.54 1xna s LEU 6 CO 0.17 -0.39 -0.08 -1.14 0.02 0.00 0.00 176.35 174.92 1xna n ARG 7 N -1.83 0.13 -3.55 1.70 3.00 -1.17 -4.57 116.66 110.38 1xna n ARG 7 Ca -0.02 0.06 -0.10 0.00 -0.00 0.00 0.00 57.85 57.78 1xna n ARG 7 Cb 0.55 -0.73 -0.02 0.00 0.00 0.00 0.00 32.46 32.27 1xna n ARG 7 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1xna s HIS 8 N -2.14 -0.42 -1.02 -0.14 -3.43 -1.26 -5.00 115.29 101.88 1xna s HIS 8 Ca -0.08 0.15 -0.23 0.00 -0.80 0.00 0.00 55.06 54.09 1xna s HIS 8 Cb 0.03 0.60 0.05 0.00 -1.43 0.00 0.00 32.58 31.83 1xna s HIS 8 CO 0.11 -0.94 1.45 0.54 -2.00 0.00 0.00 174.74 173.91 1xna s VAL 9 N -3.74 3.91 0.09 -5.38 0.11 -1.26 -0.66 120.40 113.47 1xna s VAL 9 Ca 0.04 -0.75 -0.33 0.00 -2.93 0.00 0.00 61.98 58.01 1xna s VAL 9 Cb -0.02 -5.05 -0.15 0.00 -1.53 0.00 0.00 36.38 29.63 1xna s VAL 9 CO -0.07 -1.93 1.53 1.62 -3.33 0.00 0.00 175.10 172.92 1xna h VAL 10 N 6.80 0.00 -2.85 2.04 3.04 -1.73 -3.44 116.25 120.11 1xna h VAL 10 Ca 0.20 0.00 -0.61 0.00 -1.01 0.00 0.00 66.70 65.28 1xna h VAL 10 Cb 1.01 0.00 -0.17 0.00 -2.01 0.00 0.00 31.29 30.12 1xna h VAL 10 CO 1.43 0.00 -0.79 -0.44 -1.01 0.00 0.00 177.57 176.76 1xna s SER 11 N -4.44 3.33 -0.13 3.17 0.01 -0.22 -5.01 113.70 110.41 1xna s SER 11 Ca -0.16 -0.93 -0.15 0.00 1.31 0.00 0.00 55.95 56.02 1xna s SER 11 Cb 0.05 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.07 1xna s SER 11 CO 0.57 0.05 0.41 0.00 0.41 0.00 0.00 173.24 174.69 1xna n SER 13 N 2.58 1.97 0.00 0.00 2.88 0.20 -4.92 113.62 116.33 1xna n SER 13 Ca -0.14 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 1xna n SER 13 Cb 0.57 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1xna n SER 13 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xna n SER 14 N -0.26 0.00 -3.62 -3.46 7.64 -1.04 -1.88 113.62 111.01 1xna n SER 14 Ca 0.13 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.86 1xna n SER 14 Cb 0.80 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.93 1xna n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xna s GLN 15 N 0.00 0.86 0.00 1.43 1.03 -1.26 -4.22 119.66 117.49 1xna s GLN 15 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 55.36 55.98 1xna s GLN 15 Cb 0.00 0.41 0.00 0.00 0.03 0.00 0.00 33.01 33.45 1xna s GLN 15 CO 0.00 -0.18 0.00 -3.47 -2.54 0.00 0.00 175.29 169.10 1xna n ASP 16 N 1.97 0.00 -0.02 12.60 -0.08 -0.90 -3.25 116.55 126.86 1xna n ASP 16 Ca -0.16 -0.83 -0.01 0.00 -1.51 0.00 0.00 54.79 52.27 1xna n ASP 16 Cb 0.56 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.02 1xna n ASP 16 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1xna h SER 17 N 0.00 0.00 0.79 1.67 0.87 -1.92 -3.29 113.55 111.67 1xna h SER 17 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1xna h SER 17 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1xna h SER 17 CO 0.00 0.23 -0.38 0.71 -0.53 0.00 0.00 176.83 176.86 1xna h THR 18 N -0.33 0.00 -1.57 2.23 1.35 -2.00 -3.25 112.91 109.34 1xna h THR 18 Ca 0.00 -0.17 -0.76 0.00 -0.55 0.00 0.00 66.41 64.94 1xna h THR 18 Cb 0.12 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.38 1xna h THR 18 CO 0.00 0.00 1.87 1.41 -0.25 0.00 0.00 175.52 178.55 1xna n HIS 19 N -5.32 3.10 -2.49 4.73 8.25 -1.26 -4.93 115.22 117.30 1xna n HIS 19 Ca -0.13 -2.83 -0.24 0.00 -0.26 0.00 0.00 57.72 54.26 1xna n HIS 19 Cb 0.42 -1.92 0.04 0.00 1.12 0.00 0.00 29.99 29.65 1xna n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xna h ALA 21 N -0.16 1.21 0.00 0.00 0.00 -1.85 -1.42 119.26 117.05 1xna h ALA 21 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xna h ALA 21 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xna h ALA 21 CO 0.57 0.08 0.00 1.49 0.00 0.00 0.00 179.25 181.39 1xna h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.92 -0.94 114.58 116.53 1xna h GLU 22 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xna h GLU 22 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1xna h GLU 22 CO 0.01 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xna h ASN 23 N 0.00 0.00 0.32 1.04 2.35 -1.52 -0.97 115.58 116.81 1xna h ASN 23 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xna h ASN 23 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1xna h ASN 23 CO 0.00 0.00 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.52 1xna h LEU 24 N 0.00 0.00 -2.84 1.61 3.38 -1.37 -0.72 115.31 115.37 1xna h LEU 24 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xna h LEU 24 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xna h LEU 24 CO 0.00 0.19 -0.00 -0.07 0.09 0.00 0.00 178.44 178.65 1xna h LEU 25 N 0.00 0.00 -5.98 1.67 -0.00 -1.36 -2.85 115.31 106.79 1xna h LEU 25 Ca -0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.23 1xna h LEU 25 Cb 0.40 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 40.68 1xna h LEU 25 CO 0.02 0.00 -0.23 0.29 -0.00 0.00 0.00 178.44 178.52 1xna n LYS 26 N -3.27 3.39 0.13 1.13 4.76 -0.28 -4.86 118.16 119.16 1xna n LYS 26 Ca -0.03 -4.73 0.19 0.00 -2.87 0.00 0.00 58.31 50.88 1xna n LYS 26 Cb 0.08 -2.31 0.74 0.00 -1.84 0.00 0.00 35.03 31.70 1xna n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xna h ALA 27 N 3.92 2.00 -3.14 7.82 0.00 -1.65 -3.16 119.26 125.05 1xna h ALA 27 Ca 0.22 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.49 1xna h ALA 27 Cb 0.56 0.03 -0.42 0.00 0.00 0.00 0.00 17.79 17.96 1xna h ALA 27 CO 0.94 -0.63 -0.60 -0.51 0.00 0.00 0.00 179.25 178.45 1xna s ASP 28 N -5.08 4.59 0.00 0.00 1.01 -1.26 -4.90 116.67 111.03 1xna s ASP 28 Ca -0.04 -3.59 0.00 0.00 0.71 0.00 0.00 52.55 49.63 1xna s ASP 28 Cb 0.14 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.47 1xna s ASP 28 CO 0.49 -0.13 0.00 0.35 0.21 0.00 0.00 175.17 176.10 1xna n THR 29 N 2.32 0.00 -2.04 -1.27 -2.24 -1.20 -5.07 114.28 104.78 1xna n THR 29 Ca 0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1xna n THR 29 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1xna n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xna n TYR 30 N -0.20 -0.10 -3.58 4.78 4.11 -1.26 -5.15 117.16 115.75 1xna n TYR 30 Ca 0.00 -0.11 -0.16 0.00 -0.00 0.00 0.00 57.90 57.63 1xna n TYR 30 Cb 0.00 0.46 -0.07 0.00 -0.00 0.00 0.00 39.34 39.74 1xna n TYR 30 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xna s ARG 31 N 0.01 0.93 0.00 -3.48 0.52 -1.26 -5.17 118.95 110.50 1xna s ARG 31 Ca 0.00 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1xna s ARG 31 Cb 0.02 0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.94 1xna s ARG 31 CO -0.01 -0.20 0.00 1.63 0.02 0.00 0.00 175.30 176.75 1xna n LYS 32 N 1.94 2.02 -3.15 3.54 5.02 -1.26 -4.66 118.16 121.60 1xna n LYS 32 Ca -0.16 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.74 1xna n LYS 32 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.51 1xna n LYS 32 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1xna s TRP 33 N -0.40 3.84 -0.09 2.13 -0.00 -0.13 -4.46 118.94 119.82 1xna s TRP 33 Ca 0.00 1.42 -0.04 0.00 -0.00 0.00 0.00 56.10 57.48 1xna s TRP 33 Cb 0.00 -2.61 0.05 0.00 -0.00 0.00 0.00 33.47 30.91 1xna s TRP 33 CO 0.00 0.55 0.21 1.03 -0.00 0.00 0.00 176.95 178.73 1xna s ARG 34 N -1.17 0.13 0.52 5.86 0.52 -1.19 -3.26 118.95 120.36 1xna s ARG 34 Ca 0.32 0.52 -0.20 0.00 -0.52 0.00 0.00 55.73 55.86 1xna s ARG 34 Cb -0.21 -0.15 -0.09 0.00 0.52 0.00 0.00 34.95 35.03 1xna s ARG 34 CO 0.22 -0.21 0.72 0.00 0.02 0.00 0.00 175.30 176.06 1xna n ALA 35 N 4.58 -0.64 0.25 2.13 0.00 -0.39 -2.12 120.51 124.32 1xna n ALA 35 Ca -0.19 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.49 1xna n ALA 35 Cb 0.52 -1.93 0.88 0.00 0.00 0.00 0.00 19.45 18.91 1xna n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xna h ALA 36 N 0.65 1.58 -3.84 0.00 0.00 -1.72 -3.35 119.26 112.59 1xna h ALA 36 Ca -0.45 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 1xna h ALA 36 Cb 1.38 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1xna h ALA 36 CO 0.51 -0.32 -0.21 0.36 0.00 0.00 0.00 179.25 179.59 1xna n LYS 37 N -3.39 0.24 -0.32 0.00 2.85 -1.26 -4.65 118.16 111.63 1xna n LYS 37 Ca 0.01 -1.64 0.00 0.00 -1.05 0.00 0.00 58.31 55.63 1xna n LYS 37 Cb 0.35 1.38 0.00 0.00 -0.65 0.00 0.00 35.03 36.11 1xna n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xna n ALA 38 N -1.84 0.00 -3.13 0.58 0.00 -1.26 -4.34 120.51 110.52 1xna n ALA 38 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1xna n ALA 38 Cb 0.30 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.81 1xna n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xna n GLY 39 N 5.00 -0.12 3.50 0.00 0.00 -1.21 -4.78 105.19 107.59 1xna n GLY 39 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1xna n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xna n GLU 40 N -3.42 0.29 -0.12 1.61 4.71 -1.26 -4.62 120.64 117.83 1xna n GLU 40 Ca -0.11 -0.61 -0.27 0.00 -0.01 0.00 0.00 57.16 56.16 1xna n GLU 40 Cb 0.59 -2.67 -0.11 0.00 -1.01 0.00 0.00 31.44 28.24 1xna n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1xna n LYS 41 N 7.37 0.59 -3.65 3.49 4.81 -1.26 -2.86 118.16 126.66 1xna n LYS 41 Ca 0.50 0.37 -0.02 0.00 -0.87 0.00 0.00 58.31 58.29 1xna n LYS 41 Cb 0.34 -1.59 -0.05 0.00 0.02 0.00 0.00 35.03 33.76 1xna n LYS 41 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1xna s THR 42 N -2.46 -0.83 0.03 3.15 -4.23 -1.26 -1.85 115.64 108.19 1xna s THR 42 Ca -0.35 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.24 1xna s THR 42 Cb 0.12 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.93 1xna s THR 42 CO 0.53 0.00 -0.22 0.27 -0.54 0.00 0.00 174.62 174.66 1xna s ILE 43 N 2.68 1.78 0.09 2.99 -4.36 -0.55 -4.98 121.20 118.86 1xna s ILE 43 Ca -0.07 -1.19 0.09 0.00 -0.26 0.00 0.00 60.65 59.22 1xna s ILE 43 Cb -0.11 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.04 1xna s ILE 43 CO -0.19 0.29 -0.24 -0.44 0.24 0.00 0.00 174.94 174.60 1xna s SER 44 N -1.07 2.91 -0.28 4.36 0.01 -0.79 -0.21 113.70 118.64 1xna s SER 44 Ca 0.09 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1xna s SER 44 Cb -0.09 -0.20 0.16 0.00 0.21 0.00 0.00 66.02 66.10 1xna s SER 44 CO 0.01 0.15 0.47 0.54 0.41 0.00 0.00 173.24 174.82 1xna s VAL 45 N -1.01 -0.76 -0.28 3.43 0.11 0.21 0.58 120.40 122.68 1xna s VAL 45 Ca 0.10 -0.11 -0.20 0.00 -2.93 0.00 0.00 61.98 58.84 1xna s VAL 45 Cb -0.10 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1xna s VAL 45 CO 0.04 -0.12 0.62 -0.69 -3.33 0.00 0.00 175.10 171.62 1xna s VAL 46 N 2.66 4.97 0.11 2.04 1.01 0.16 -1.17 120.40 130.18 1xna s VAL 46 Ca 0.13 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.12 1xna s VAL 46 Cb -0.14 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1xna s VAL 46 CO -0.23 -0.05 0.11 -0.76 0.00 0.00 0.00 175.10 174.18 1xna s LEU 47 N 2.53 3.85 0.39 3.92 1.02 0.76 -1.06 118.68 130.11 1xna s LEU 47 Ca 0.25 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.38 1xna s LEU 47 Cb -0.15 -2.51 -0.02 0.00 0.02 0.00 0.00 46.19 43.53 1xna s LEU 47 CO 0.10 0.14 0.61 -1.58 0.02 0.00 0.00 176.35 175.64 1xna s GLN 48 N -2.64 3.31 -0.18 1.70 -0.44 0.17 -0.69 119.66 120.90 1xna s GLN 48 Ca 0.30 -0.38 -0.03 0.00 -2.50 0.00 0.00 55.36 52.75 1xna s GLN 48 Cb -0.12 -2.61 -0.02 0.00 -1.64 0.00 0.00 33.01 28.63 1xna s GLN 48 CO 0.23 -0.04 -0.05 -0.51 0.50 0.00 0.00 175.29 175.42 1xna s LEU 49 N -4.43 3.01 0.00 3.68 1.43 0.11 -3.01 118.68 119.47 1xna s LEU 49 Ca 0.44 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1xna s LEU 49 Cb -0.10 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1xna s LEU 49 CO 0.37 0.08 0.78 1.21 0.23 0.00 0.00 176.35 179.03 1xna n GLU 50 N 4.10 0.00 -3.63 1.70 2.13 -0.96 -4.47 120.64 119.52 1xna n GLU 50 Ca -0.18 0.28 -0.12 0.00 0.66 0.00 0.00 57.16 57.80 1xna n GLU 50 Cb 0.52 -1.72 -0.07 0.00 0.27 0.00 0.00 31.44 30.44 1xna n GLU 50 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xna s LYS 51 N -2.56 0.74 -0.32 5.31 -2.85 -1.26 -5.03 119.74 113.76 1xna s LYS 51 Ca 0.00 0.91 -0.29 0.00 -1.00 0.00 0.00 55.97 55.59 1xna s LYS 51 Cb 0.00 0.35 -0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1xna s LYS 51 CO 0.00 -0.09 1.38 -2.00 0.10 0.00 0.00 175.35 174.74 1xna s GLU 52 N 0.43 3.80 0.33 1.78 2.12 -1.26 -4.69 118.70 121.21 1xna s GLU 52 Ca 0.00 1.21 -0.01 0.00 0.36 0.00 0.00 54.97 56.53 1xna s GLU 52 Cb -0.05 -3.94 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 1xna s GLU 52 CO -0.02 -1.28 0.42 -1.83 -0.54 0.00 0.00 175.26 172.01 1xna s GLU 53 N 4.47 1.84 0.35 4.30 4.04 0.05 -4.74 118.70 129.02 1xna s GLU 53 Ca 0.60 -1.79 -0.04 0.00 0.04 0.00 0.00 54.97 53.78 1xna s GLU 53 Cb -0.17 0.41 0.08 0.00 0.02 0.00 0.00 34.13 34.47 1xna s GLU 53 CO 0.27 -0.74 0.48 1.04 -1.84 0.00 0.00 175.26 174.47 1xna n GLN 54 N -0.56 -0.19 -3.69 -4.83 6.02 -1.26 0.10 117.38 112.98 1xna n GLN 54 Ca 0.02 -0.92 -0.20 0.00 -0.01 0.00 0.00 57.00 55.89 1xna n GLN 54 Cb 0.62 -0.44 -0.18 0.00 1.02 0.00 0.00 30.24 31.26 1xna n GLN 54 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xna s ILE 55 N -1.74 -0.04 -0.08 5.09 1.09 -0.12 -4.56 121.20 120.84 1xna s ILE 55 Ca 0.29 0.38 0.08 0.00 -1.10 0.00 0.00 60.65 60.29 1xna s ILE 55 Cb -0.01 -0.20 -0.11 0.00 -1.06 0.00 0.00 42.46 41.08 1xna s ILE 55 CO 0.20 0.19 0.05 1.57 -0.10 0.00 0.00 174.94 176.84 1xna n HIS 56 N 5.21 0.00 -3.76 3.97 -0.00 -1.16 -4.58 115.22 114.90 1xna n HIS 56 Ca -0.05 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.00 1xna n HIS 56 Cb 0.50 -0.40 -0.09 0.00 -0.12 0.00 0.00 29.99 29.88 1xna n HIS 56 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xna s SER 57 N -3.93 -0.25 0.21 0.26 0.01 -0.26 -0.82 113.70 108.91 1xna s SER 57 Ca -0.04 0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.56 1xna s SER 57 Cb 0.03 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.66 1xna s SER 57 CO 0.36 -0.33 -0.06 -0.69 0.41 0.00 0.00 173.24 172.93 1xna s VAL 58 N -0.79 1.23 -0.04 3.43 1.01 0.11 -0.81 120.40 124.54 1xna s VAL 58 Ca -0.09 -2.07 -0.01 0.00 0.00 0.00 0.00 61.98 59.81 1xna s VAL 58 Cb -0.04 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1xna s VAL 58 CO 0.03 -0.48 0.07 -1.81 0.00 0.00 0.00 175.10 172.90 1xna s ASP 59 N -3.28 0.24 -0.10 3.32 1.11 -0.41 -0.09 116.67 117.45 1xna s ASP 59 Ca 0.24 0.12 -0.07 0.00 0.18 0.00 0.00 52.55 53.02 1xna s ASP 59 Cb 0.04 -0.01 0.04 0.00 1.07 0.00 0.00 42.92 44.06 1xna s ASP 59 CO 0.06 -0.16 0.25 -0.63 1.18 0.00 0.00 175.17 175.88 1xna s ILE 60 N 1.34 -0.02 -0.14 0.77 1.09 -0.49 0.97 121.20 124.72 1xna s ILE 60 Ca -0.06 0.09 -0.06 0.00 -1.10 0.00 0.00 60.65 59.52 1xna s ILE 60 Cb -0.12 -0.38 -0.04 0.00 -1.06 0.00 0.00 42.46 40.86 1xna s ILE 60 CO -0.04 0.04 0.08 -0.83 -0.10 0.00 0.00 174.94 174.09 1xna s GLY 61 N 0.84 1.99 -0.12 6.18 0.00 -0.65 -1.21 107.32 114.35 1xna s GLY 61 Ca -0.06 -0.72 -0.25 0.00 0.00 0.00 0.00 44.72 43.70 1xna s GLY 61 CO -0.05 -0.22 0.79 -1.31 0.00 0.00 0.00 173.10 172.31 1xna s ASN 62 N -0.38 7.00 -0.83 1.64 0.01 0.19 -1.26 114.94 121.31 1xna s ASN 62 Ca 0.10 1.22 0.01 0.00 -0.71 0.00 0.00 52.86 53.47 1xna s ASN 62 Cb -0.12 -2.45 0.22 0.00 0.41 0.00 0.00 41.25 39.32 1xna s ASN 62 CO 0.02 -0.28 0.79 -0.67 -1.51 0.00 0.00 177.10 175.45 1xna n ASP 63 N 4.56 4.09 -0.31 -1.22 2.03 -0.11 -2.49 116.55 123.11 1xna n ASP 63 Ca 0.02 -3.24 -0.04 0.00 0.52 0.00 0.00 54.79 52.06 1xna n ASP 63 Cb 0.50 -0.94 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 1xna n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xna n GLY 64 N 1.86 0.69 4.01 0.27 0.00 -1.17 -2.47 105.19 108.37 1xna n GLY 64 Ca 0.23 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1xna n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xna s SER 65 N -2.70 4.75 0.05 1.61 1.04 -1.25 -4.83 113.70 112.37 1xna s SER 65 Ca 0.00 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1xna s SER 65 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1xna s SER 65 CO 0.00 -1.57 0.00 0.00 0.98 0.00 0.00 173.24 172.65 1xna n ALA 66 N -2.53 3.00 -2.91 5.32 0.00 -1.26 -4.02 120.51 118.11 1xna n ALA 66 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.25 1xna n ALA 66 Cb 0.61 0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 1xna n ALA 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xna s PHE 67 N -2.00 3.03 -0.17 0.00 0.08 0.15 -0.12 117.98 118.94 1xna s PHE 67 Ca 0.00 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.79 1xna s PHE 67 Cb 0.00 -1.93 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1xna s PHE 67 CO 0.00 0.02 -0.00 0.08 -0.10 0.00 0.00 175.22 175.22 1xna s VAL 68 N 0.20 0.77 0.06 -0.44 1.01 -0.26 0.28 120.40 122.01 1xna s VAL 68 Ca -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1xna s VAL 68 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1xna s VAL 68 CO 0.03 -0.05 0.07 -0.70 0.00 0.00 0.00 175.10 174.45 1xna s GLU 69 N 1.76 2.89 -0.04 2.72 2.12 -0.42 0.31 118.70 128.04 1xna s GLU 69 Ca -0.00 -0.65 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 1xna s GLU 69 Cb -0.16 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.52 1xna s GLU 69 CO -0.07 0.58 0.01 0.08 -0.54 0.00 0.00 175.26 175.32 1xna s VAL 70 N -1.32 0.19 0.27 3.70 1.01 -0.61 -1.29 120.40 122.35 1xna s VAL 70 Ca 0.27 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.48 1xna s VAL 70 Cb -0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1xna s VAL 70 CO 0.19 0.18 0.04 -0.76 0.00 0.00 0.00 175.10 174.75 1xna s LEU 71 N 1.40 3.32 0.26 3.92 1.02 -0.25 -1.70 118.68 126.65 1xna s LEU 71 Ca -0.04 -0.58 0.12 0.00 0.02 0.00 0.00 54.13 53.64 1xna s LEU 71 Cb -0.13 -1.84 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 1xna s LEU 71 CO -0.03 -0.03 -0.20 0.68 0.02 0.00 0.00 176.35 176.80 1xna s VAL 72 N -2.29 2.41 0.00 -1.59 -7.23 -0.46 -1.38 120.40 109.85 1xna s VAL 72 Ca 0.32 -2.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1xna s VAL 72 Cb -0.06 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1xna s VAL 72 CO 0.21 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1xna n GLY 73 N -0.49 0.29 3.62 2.32 0.00 -0.76 -1.06 105.19 109.12 1xna n GLY 73 Ca -0.06 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 1xna n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xna s SER 74 N 0.00 4.22 0.00 1.61 0.15 -1.26 -0.30 113.70 118.12 1xna s SER 74 Ca 0.00 -0.91 0.18 0.00 0.70 0.00 0.00 55.95 55.92 1xna s SER 74 Cb 0.00 -0.58 0.89 0.00 -1.71 0.00 0.00 66.02 64.62 1xna s SER 74 CO 0.00 -0.16 1.55 -1.54 1.20 0.00 0.00 173.24 174.29 1xna n SER 75 N -0.92 0.00 -4.66 5.45 3.41 -1.26 -4.76 113.62 110.88 1xna n SER 75 Ca -0.05 0.10 -0.45 0.00 -0.26 0.00 0.00 58.87 58.21 1xna n SER 75 Cb 0.61 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1xna n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xna n ALA 76 N -1.32 0.77 -0.78 7.33 0.00 -1.26 -3.99 120.51 121.28 1xna n ALA 76 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1xna n ALA 76 Cb 0.15 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1xna n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xna n GLY 77 N 1.73 0.64 0.95 0.00 0.00 -1.26 -4.73 105.19 102.51 1xna n GLY 77 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1xna n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xna n GLY 78 N 0.00 0.64 0.10 -0.02 0.00 -1.26 -5.03 105.19 99.63 1xna n GLY 78 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1xna n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xna n ALA 79 N -0.95 0.71 -2.38 4.61 0.00 -1.26 -5.03 120.51 116.21 1xna n ALA 79 Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 53.44 52.75 1xna n ALA 79 Cb 0.39 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.34 1xna n ALA 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xna s GLY 80 N -4.72 2.36 -0.28 0.00 0.00 -1.26 -5.03 107.32 98.39 1xna s GLY 80 Ca -0.26 -1.67 0.08 0.00 0.00 0.00 0.00 44.72 42.87 1xna s GLY 80 CO 0.50 -1.63 1.64 1.18 0.00 0.00 0.00 173.10 174.79 1xna n GLU 81 N -0.72 3.24 -0.09 2.90 1.02 -1.26 -4.06 120.64 121.67 1xna n GLU 81 Ca 0.01 -2.56 0.03 0.00 -0.02 0.00 0.00 57.16 54.61 1xna n GLU 81 Cb 0.64 -2.07 0.07 0.00 -0.02 0.00 0.00 31.44 30.07 1xna n GLU 81 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xna n GLN 82 N -0.12 2.89 -1.11 3.49 6.02 -1.26 -4.63 117.38 122.66 1xna n GLN 82 Ca 0.35 -1.80 -0.24 0.00 -0.01 0.00 0.00 57.00 55.30 1xna n GLN 82 Cb 1.24 -1.15 0.12 0.00 1.02 0.00 0.00 30.24 31.47 1xna n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xna n ASP 83 N -0.11 5.19 -4.86 1.08 -0.08 -1.26 -4.92 116.55 111.59 1xna n ASP 83 Ca 0.06 -3.46 -0.27 0.00 -1.51 0.00 0.00 54.79 49.61 1xna n ASP 83 Cb 0.35 -0.88 -0.03 0.00 2.34 0.00 0.00 41.12 42.91 1xna n ASP 83 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1xna s TYR 84 N -3.00 1.84 -0.04 -0.67 1.51 -1.26 -4.78 117.35 110.95 1xna s TYR 84 Ca 0.51 -0.81 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1xna s TYR 84 Cb 0.42 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1xna s TYR 84 CO 0.05 -0.27 -0.12 -1.83 -1.11 0.00 0.00 175.55 172.27 1xna s GLU 85 N -4.17 1.35 -0.82 -0.62 -1.05 -0.22 -4.90 118.70 108.27 1xna s GLU 85 Ca 0.31 -0.43 -0.25 0.00 -0.15 0.00 0.00 54.97 54.46 1xna s GLU 85 Cb -0.01 -1.20 -0.16 0.00 -0.44 0.00 0.00 34.13 32.32 1xna s GLU 85 CO 0.19 0.15 2.38 0.28 0.95 0.00 0.00 175.26 179.20 1xna n VAL 86 N 3.32 0.00 0.21 1.83 0.31 -1.26 -1.35 118.33 121.39 1xna n VAL 86 Ca -0.19 -0.47 -0.15 0.00 -0.01 0.00 0.00 64.34 63.52 1xna n VAL 86 Cb 0.53 -1.87 -0.08 0.00 -0.91 0.00 0.00 33.84 31.52 1xna n VAL 86 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1xna h LEU 87 N 21.90 -0.42 -7.25 7.52 5.85 -1.81 -3.42 115.31 137.69 1xna h LEU 87 Ca 0.00 -0.04 -0.35 0.00 0.84 0.00 0.00 57.88 58.33 1xna h LEU 87 Cb 1.01 0.11 -0.38 0.00 0.37 0.00 0.00 40.66 41.76 1xna h LEU 87 CO 1.04 -0.23 -0.71 -1.48 -0.34 0.00 0.00 178.44 176.73 1xna s LEU 88 N -9.96 0.09 1.15 2.25 0.05 -0.69 -1.10 118.68 110.47 1xna s LEU 88 Ca -0.15 0.07 -0.16 0.00 0.05 0.00 0.00 54.13 53.93 1xna s LEU 88 Cb 0.04 -0.01 0.24 0.00 -2.05 0.00 0.00 46.19 44.42 1xna s LEU 88 CO 0.62 -0.26 0.53 1.33 -0.55 0.00 0.00 176.35 178.02 1xna n VAL 89 N 5.31 0.00 -2.00 1.48 0.24 -1.26 -1.57 118.33 120.53 1xna n VAL 89 Ca -0.04 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 1xna n VAL 89 Cb 0.50 -0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 32.19 1xna n VAL 89 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xna s THR 90 N -2.09 2.65 -0.20 3.34 -1.32 -1.26 -4.28 115.64 112.49 1xna s THR 90 Ca 0.46 0.53 -0.07 0.00 -1.21 0.00 0.00 61.69 61.39 1xna s THR 90 Cb -0.08 -3.34 -0.04 0.00 -1.51 0.00 0.00 72.50 67.53 1xna s THR 90 CO 0.40 0.08 0.07 -0.94 -2.21 0.00 0.00 174.62 172.01 1xna s SER 91 N 0.52 5.52 -0.37 8.08 1.04 0.15 -4.69 113.70 123.96 1xna s SER 91 Ca 0.61 0.01 -0.23 0.00 0.48 0.00 0.00 55.95 56.83 1xna s SER 91 Cb -0.42 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1xna s SER 91 CO 0.41 0.12 0.78 -0.94 0.98 0.00 0.00 173.24 174.59 1xna s SER 92 N 0.68 6.54 -0.12 7.02 1.04 -1.25 -1.10 113.70 126.51 1xna s SER 92 Ca 0.03 0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 1xna s SER 92 Cb -0.13 -2.39 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 1xna s SER 92 CO 0.02 -0.74 -0.14 0.49 0.98 0.00 0.00 173.24 173.85 1xna n PHE 93 N 6.42 0.00 -4.09 5.02 3.72 0.82 -5.00 117.46 124.36 1xna n PHE 93 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 1xna n PHE 93 Cb 0.48 -0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 38.59 1xna n PHE 93 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1xna n MET 94 N -3.35 1.83 -4.59 -1.08 2.81 -1.24 -5.04 117.12 106.46 1xna n MET 94 Ca -0.22 -0.44 -0.28 0.00 -1.81 0.00 0.00 57.70 54.95 1xna n MET 94 Cb 0.68 0.12 -0.07 0.00 -0.71 0.00 0.00 33.22 33.23 1xna n MET 94 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1xna n SER 95 N -1.06 1.78 -0.66 7.83 3.41 -1.26 -4.60 113.62 119.05 1xna n SER 95 Ca -0.02 -3.29 0.03 0.00 -0.26 0.00 0.00 58.87 55.33 1xna n SER 95 Cb 0.08 0.91 0.11 0.00 -0.26 0.00 0.00 64.21 65.05 1xna n SER 95 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1xna n PRO 96 N -1.05 1.86 0.01 4.33 -0.04 -1.26 -3.67 135.00 135.18 1xna n PRO 96 Ca -0.10 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1xna n PRO 96 Cb 0.65 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1xna n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xna n SER 97 N 0.19 0.19 0.26 3.54 7.64 -1.26 -4.70 113.62 119.48 1xna n SER 97 Ca 0.08 0.02 0.13 0.00 1.01 0.00 0.00 58.87 60.12 1xna n SER 97 Cb 0.36 -0.06 0.72 0.00 -1.01 0.00 0.00 64.21 64.22 1xna n SER 97 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1xna h GLU 98 N 0.00 0.00 0.00 1.43 4.11 -1.87 -2.15 114.58 116.09 1xna h GLU 98 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xna h GLU 98 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1xna h GLU 98 CO 0.00 0.12 -0.01 0.66 0.07 0.00 0.00 179.01 179.85 1xna h SER 99 N 0.00 0.00 0.00 3.06 4.64 -1.71 -3.18 113.55 116.36 1xna h SER 99 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xna h SER 99 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1xna h SER 99 CO 0.02 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 1xna n ARG 100 N -3.70 0.00 -2.38 4.77 1.74 -0.81 -4.70 116.66 111.57 1xna n ARG 100 Ca -0.03 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1xna n ARG 100 Cb 0.09 -0.34 0.10 0.00 -1.02 0.00 0.00 32.46 31.29 1xna n ARG 100 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xna n SER 101 N -0.48 -1.30 -0.05 0.55 2.88 -1.25 -4.86 113.62 109.12 1xna n SER 101 Ca 0.00 -2.09 -0.05 0.00 -1.33 0.00 0.00 58.87 55.40 1xna n SER 101 Cb 0.00 0.59 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 1xna n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xna n GLY 102 N -1.26 -0.49 0.00 0.46 0.00 -1.25 -5.06 105.19 97.59 1xna n GLY 102 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1xna n GLY 102 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xna n SER 103 N -2.40 0.00 -4.50 1.61 2.88 -1.24 -4.93 113.62 105.03 1xna n SER 103 Ca -0.17 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 56.90 1xna n SER 103 Cb 0.83 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.23 1xna n SER 103 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1xna n ASN 104 N 0.00 2.50 0.02 -3.46 6.94 -1.26 -4.73 115.26 115.26 1xna n ASN 104 Ca 0.00 0.30 0.14 0.00 -0.02 0.00 0.00 54.58 54.99 1xna n ASN 104 Cb 0.00 -1.37 0.55 0.00 -2.36 0.00 0.00 39.78 36.59 1xna n ASN 104 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1xna n PRO 105 N 8.44 0.05 -3.66 -0.53 -0.04 -1.20 -4.12 135.00 133.93 1xna n PRO 105 Ca 0.38 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.78 1xna n PRO 105 Cb 0.31 -1.55 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 1xna n PRO 105 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xna s ASN 106 N -3.25 -0.75 -0.02 3.54 0.01 -1.26 -3.06 114.94 110.14 1xna s ASN 106 Ca 0.13 1.27 -0.18 0.00 -0.71 0.00 0.00 52.86 53.37 1xna s ASN 106 Cb 0.18 1.17 0.03 0.00 0.41 0.00 0.00 41.25 43.04 1xna s ASN 106 CO 0.56 -0.22 0.38 -0.13 -1.51 0.00 0.00 177.10 176.18 1xna s ARG 107 N 1.30 0.73 -0.05 -0.60 0.52 -1.04 -5.01 118.95 114.81 1xna s ARG 107 Ca -0.08 -0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 1xna s ARG 107 Cb -0.06 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.72 1xna s ARG 107 CO -0.14 -0.21 -0.15 0.14 0.02 0.00 0.00 175.30 174.97 1xna s VAL 108 N -1.26 3.02 0.34 3.52 -7.23 -1.26 0.54 120.40 118.07 1xna s VAL 108 Ca -0.13 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 1xna s VAL 108 Cb -0.04 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1xna s VAL 108 CO 0.05 0.59 0.12 -0.13 -0.31 0.00 0.00 175.10 175.42 1xna s ARG 109 N -0.67 1.69 0.31 4.82 3.00 -0.35 -4.87 118.95 122.87 1xna s ARG 109 Ca 0.10 -1.97 0.03 0.00 0.00 0.00 0.00 55.73 53.88 1xna s ARG 109 Cb -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 34.95 34.35 1xna s ARG 109 CO 0.01 -0.37 0.31 -1.64 0.00 0.00 0.00 175.30 173.60 1xna s MET 110 N -3.83 1.69 0.08 3.54 -1.94 -1.26 -1.40 119.30 116.18 1xna s MET 110 Ca 0.32 -1.86 0.01 0.00 -1.71 0.00 0.00 55.69 52.45 1xna s MET 110 Cb 0.06 0.35 -0.04 0.00 2.01 0.00 0.00 34.83 37.20 1xna s MET 110 CO 0.16 -0.64 -0.06 -0.06 -0.01 0.00 0.00 175.02 174.41 1xna s PHE 111 N -3.50 0.80 0.00 -0.03 0.40 0.87 -4.94 117.98 111.58 1xna s PHE 111 Ca 0.37 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1xna s PHE 111 Cb 0.02 -0.48 0.00 0.00 0.51 0.00 0.00 43.02 43.08 1xna s PHE 111 CO 0.23 -0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.37 1xna n GLY 112 N 0.16 5.23 0.20 4.36 0.00 -1.26 0.04 105.19 113.92 1xna n GLY 112 Ca -0.14 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 1xna n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xna h PRO 113 N 0.00 0.69 0.00 1.61 0.13 -1.33 -3.17 132.00 129.93 1xna h PRO 113 Ca 0.00 -0.65 -0.06 0.00 -0.87 0.00 0.00 66.00 64.43 1xna h PRO 113 Cb 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1xna h PRO 113 CO 0.00 1.25 -0.27 0.22 -0.23 0.00 0.00 178.00 178.96 1xna h ASP 114 N 0.43 0.00 -0.10 1.44 1.82 -1.97 -1.55 116.42 116.49 1xna h ASP 114 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1xna h ASP 114 Cb 1.53 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.54 1xna h ASP 114 CO 0.18 0.27 0.00 0.29 -1.61 0.00 0.00 179.24 178.37 1xna n LYS 115 N -4.21 1.53 -4.89 0.28 5.02 -1.21 -4.83 118.16 109.85 1xna n LYS 115 Ca -0.02 -0.78 -0.26 0.00 -2.02 0.00 0.00 58.31 55.23 1xna n LYS 115 Cb 0.32 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 33.78 1xna n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1xna s LEU 116 N -1.67 2.03 0.22 -0.35 0.05 -0.59 -4.12 118.68 114.25 1xna s LEU 116 Ca 0.33 -0.33 -0.31 0.00 0.05 0.00 0.00 54.13 53.87 1xna s LEU 116 Cb 0.17 -0.95 -0.11 0.00 -2.05 0.00 0.00 46.19 43.25 1xna s LEU 116 CO 0.27 0.22 1.65 0.54 -0.55 0.00 0.00 176.35 178.49 1xna s VAL 117 N -0.42 2.16 0.12 1.48 0.11 -0.26 -4.83 120.40 118.76 1xna s VAL 117 Ca 0.07 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 1xna s VAL 117 Cb -0.07 -3.08 -0.13 0.00 -1.53 0.00 0.00 36.38 31.57 1xna s VAL 117 CO -0.01 0.01 1.35 0.03 -3.33 0.00 0.00 175.10 173.15 1xna h ARG 118 N 6.27 0.78 -0.05 1.54 3.08 -1.93 0.90 114.38 124.97 1xna h ARG 118 Ca -0.44 -0.59 0.02 0.00 0.07 0.00 0.00 59.98 59.03 1xna h ARG 118 Cb 1.21 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1xna h ARG 118 CO 0.90 1.21 0.07 0.00 -1.07 0.00 0.00 179.97 181.09 1xna h ALA 119 N 0.63 1.52 0.00 0.04 0.00 -2.00 -2.87 119.26 116.59 1xna h ALA 119 Ca -0.03 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1xna h ALA 119 Cb 1.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1xna h ALA 119 CO 0.15 -0.10 -1.55 0.00 0.00 0.00 0.00 179.25 177.75 1xna n ALA 120 N -2.27 2.23 -0.33 0.00 0.00 -1.14 -4.56 120.51 114.44 1xna n ALA 120 Ca -0.02 -0.39 0.21 0.00 0.00 0.00 0.00 53.44 53.24 1xna n ALA 120 Cb 0.16 0.35 0.47 0.00 0.00 0.00 0.00 19.45 20.44 1xna n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xna h ALA 121 N -0.27 2.11 0.00 0.00 0.00 0.80 0.85 119.26 122.75 1xna h ALA 121 Ca -0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xna h ALA 121 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xna h ALA 121 CO -0.12 -0.52 0.00 -0.85 0.00 0.00 0.00 179.25 177.75 1xna n GLU 122 N -4.69 0.98 -3.46 0.00 -0.00 -1.08 -0.94 120.64 111.45 1xna n GLU 122 Ca 0.25 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 57.04 1xna n GLU 122 Cb 0.83 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.71 1xna n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xna s LYS 123 N -2.00 4.08 -0.26 3.44 1.02 0.30 -4.84 119.74 121.48 1xna s LYS 123 Ca 0.47 0.37 -0.29 0.00 0.02 0.00 0.00 55.97 56.54 1xna s LYS 123 Cb 0.22 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 1xna s LYS 123 CO 0.36 0.48 1.78 1.03 -0.92 0.00 0.00 175.35 178.08 1xna s ARG 124 N -0.37 3.53 0.31 1.68 0.52 -1.26 -4.27 118.95 119.10 1xna s ARG 124 Ca 0.23 1.64 0.10 0.00 -0.52 0.00 0.00 55.73 57.18 1xna s ARG 124 Cb -0.16 -4.15 -0.05 0.00 0.52 0.00 0.00 34.95 31.11 1xna s ARG 124 CO 0.11 -1.62 -0.02 -1.58 0.02 0.00 0.00 175.30 172.21 1xna s TRP 125 N 6.26 2.54 -0.00 -0.53 0.52 0.12 -4.68 118.94 123.16 1xna s TRP 125 Ca 0.79 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 56.54 1xna s TRP 125 Cb -0.26 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 30.72 1xna s TRP 125 CO 0.33 0.55 0.86 -0.40 0.02 0.00 0.00 176.95 178.30 1xna n ASP 126 N -0.89 0.05 -3.85 2.95 5.68 -0.49 -0.77 116.55 119.24 1xna n ASP 126 Ca -0.05 -1.73 -0.12 0.00 -0.50 0.00 0.00 54.79 52.40 1xna n ASP 126 Cb 0.61 -0.14 -0.11 0.00 -1.14 0.00 0.00 41.12 40.34 1xna n ASP 126 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1xna s ARG 127 N -0.05 0.34 0.00 0.11 0.52 0.59 -0.71 118.95 119.75 1xna s ARG 127 Ca 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1xna s ARG 127 Cb 0.00 0.15 -0.00 0.00 0.52 0.00 0.00 34.95 35.62 1xna s ARG 127 CO 0.00 -0.07 -0.01 0.54 0.02 0.00 0.00 175.30 175.78 1xna s VAL 128 N -0.70 0.09 -0.33 3.52 0.11 0.13 -1.83 120.40 121.38 1xna s VAL 128 Ca -0.08 -0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 58.72 1xna s VAL 128 Cb -0.05 -0.11 0.04 0.00 -1.53 0.00 0.00 36.38 34.74 1xna s VAL 128 CO 0.01 -0.07 0.09 -0.75 -3.33 0.00 0.00 175.10 171.05 1xna s LYS 129 N -0.28 2.58 -0.27 1.54 2.20 -0.48 -0.17 119.74 124.86 1xna s LYS 129 Ca -0.02 -1.21 -0.11 0.00 -0.36 0.00 0.00 55.97 54.27 1xna s LYS 129 Cb -0.02 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1xna s LYS 129 CO -0.00 -0.67 0.17 0.42 -0.36 0.00 0.00 175.35 174.91 1xna s ILE 130 N 1.37 5.20 -0.19 5.43 -1.09 -0.32 -1.09 121.20 130.52 1xna s ILE 130 Ca -0.02 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1xna s ILE 130 Cb -0.20 -3.47 0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1xna s ILE 130 CO 0.02 0.27 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.23 1xna s VAL 131 N 1.67 1.43 0.21 2.92 1.01 -0.41 0.63 120.40 127.87 1xna s VAL 131 Ca 0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1xna s VAL 131 Cb -0.16 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.59 1xna s VAL 131 CO 0.10 0.14 0.59 0.00 0.00 0.00 0.00 175.10 175.93 1xna s SER 133 N -2.05 -0.07 0.00 0.00 0.15 0.14 -1.48 113.70 110.39 1xna s SER 133 Ca 0.45 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1xna s SER 133 Cb -0.13 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1xna s SER 133 CO 0.20 -0.10 0.00 1.67 1.20 0.00 0.00 173.24 176.21 1xna n GLN 134 N 3.77 0.00 -2.75 5.44 -0.06 -0.77 -0.67 117.38 122.33 1xna n GLN 134 Ca -0.21 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.36 1xna n GLN 134 Cb 0.54 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.69 1xna n GLN 134 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1xna s PRO 135 N -1.97 3.32 0.00 3.69 0.04 -1.22 -4.14 135.00 134.72 1xna s PRO 135 Ca 0.00 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.08 1xna s PRO 135 Cb 0.00 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1xna s PRO 135 CO 0.00 -1.95 0.00 2.48 0.04 0.00 0.00 177.00 177.57 1xna n TYR 136 N 8.04 0.00 -3.97 0.56 0.18 -1.13 -4.81 117.16 116.04 1xna n TYR 136 Ca 0.11 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.78 1xna n TYR 136 Cb 0.48 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.43 1xna n TYR 136 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1xna n SER 137 N -0.93 2.09 0.00 9.48 7.64 -1.26 -4.88 113.62 125.76 1xna n SER 137 Ca 0.00 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1xna n SER 137 Cb 0.00 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1xna n SER 137 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1xna n LYS 138 N -0.72 0.00 -0.06 1.43 4.81 -1.26 -3.98 118.16 118.39 1xna n LYS 138 Ca -0.04 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.31 1xna n LYS 138 Cb 0.23 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.23 1xna n LYS 138 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xna n ASP 139 N -1.03 3.02 -4.81 3.14 5.68 -1.26 -3.32 116.55 117.97 1xna n ASP 139 Ca 0.00 -0.06 -0.33 0.00 -0.50 0.00 0.00 54.79 53.91 1xna n ASP 139 Cb 0.00 -0.19 -0.06 0.00 -1.14 0.00 0.00 41.12 39.72 1xna n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1xna s SER 140 N -5.17 5.84 0.55 -1.12 1.04 -1.26 -4.55 113.70 109.03 1xna s SER 140 Ca -0.16 0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.41 1xna s SER 140 Cb 0.04 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.44 1xna s SER 140 CO 0.27 0.26 0.85 -2.16 0.98 0.00 0.00 173.24 173.44 1xna s PRO 141 N -1.82 3.11 0.00 4.02 0.04 -1.26 -4.16 135.00 134.92 1xna s PRO 141 Ca 0.24 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1xna s PRO 141 Cb -0.12 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1xna s PRO 141 CO 0.16 -0.53 0.00 1.19 0.04 0.00 0.00 177.00 177.86 1xna n PHE 142 N -2.46 -0.36 0.00 0.56 3.72 -1.26 -4.84 117.46 112.82 1xna n PHE 142 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1xna n PHE 142 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 1xna n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xna n GLY 143 N 0.00 -0.89 3.51 1.37 0.00 -1.03 -1.26 105.19 106.88 1xna n GLY 143 Ca 0.00 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 1xna n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xna s LEU 144 N 0.00 2.76 0.10 0.99 1.02 -1.20 -0.94 118.68 121.42 1xna s LEU 144 Ca 0.00 -0.64 0.12 0.00 0.02 0.00 0.00 54.13 53.63 1xna s LEU 144 Cb 0.00 -1.51 -0.14 0.00 0.02 0.00 0.00 46.19 44.56 1xna s LEU 144 CO 0.00 0.13 1.08 0.28 0.02 0.00 0.00 176.35 177.86 1xna h SER 145 N 3.23 0.00 -5.18 2.29 0.02 -1.42 -0.32 113.55 112.17 1xna h SER 145 Ca -0.48 0.00 0.35 0.00 -0.84 0.00 0.00 61.79 60.82 1xna h SER 145 Cb 1.19 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.57 1xna h SER 145 CO 0.50 0.81 0.93 0.72 -1.14 0.00 0.00 176.83 178.65 1xna s PHE 146 N -2.78 -0.03 -0.03 3.45 -0.12 -1.25 -4.52 117.98 112.71 1xna s PHE 146 Ca -0.00 -0.00 -0.02 0.00 -0.05 0.00 0.00 56.93 56.85 1xna s PHE 146 Cb 0.09 0.51 0.01 0.00 -0.63 0.00 0.00 43.02 43.00 1xna s PHE 146 CO 0.80 -0.09 0.08 0.14 -0.05 0.00 0.00 175.22 176.10 1xna s VAL 147 N -2.16 -0.01 0.13 -2.49 -7.23 -1.26 -1.63 120.40 105.74 1xna s VAL 147 Ca 0.13 0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.29 1xna s VAL 147 Cb 0.04 -0.12 -0.02 0.00 0.56 0.00 0.00 36.38 36.83 1xna s VAL 147 CO -0.05 0.02 0.18 -0.13 -0.31 0.00 0.00 175.10 174.81 1xna s ARG 148 N 0.30 0.99 0.04 4.82 0.52 0.27 -4.92 118.95 120.98 1xna s ARG 148 Ca -0.02 -1.21 -0.04 0.00 -0.52 0.00 0.00 55.73 53.94 1xna s ARG 148 Cb -0.03 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.74 1xna s ARG 148 CO -0.01 -0.33 0.05 -0.06 0.02 0.00 0.00 175.30 174.98 1xna s PHE 149 N -3.97 0.26 -0.22 -0.53 0.08 -1.23 -1.29 117.98 111.08 1xna s PHE 149 Ca 0.16 -0.59 -0.14 0.00 0.12 0.00 0.00 56.93 56.48 1xna s PHE 149 Cb 0.05 -0.19 0.07 0.00 -0.57 0.00 0.00 43.02 42.38 1xna s PHE 149 CO -0.02 -0.33 0.55 -3.38 -0.10 0.00 0.00 175.22 171.93 1xna s HIS 150 N -2.57 -0.80 -2.41 0.36 -3.43 0.01 -2.10 115.29 104.37 1xna s HIS 150 Ca -0.05 1.67 0.29 0.00 -0.80 0.00 0.00 55.06 56.16 1xna s HIS 150 Cb -0.02 0.41 1.21 0.00 -1.43 0.00 0.00 32.58 32.76 1xna s HIS 150 CO -0.05 -0.41 1.84 -1.13 -2.00 0.00 0.00 174.74 172.99