#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt s PRO 2 N 0.00 3.27 0.32 0.03 0.04 -1.26 -4.98 135.00 132.42 1xnt s PRO 2 Ca 0.00 -0.99 -0.03 0.00 0.04 0.00 0.00 61.00 60.02 1xnt s PRO 2 Cb 0.00 -4.48 -0.01 0.00 0.04 0.00 0.00 34.50 30.05 1xnt s PRO 2 CO 0.00 -1.89 0.42 -1.21 0.04 0.00 0.00 177.00 174.36 1xnt s GLU 3 N 4.06 1.78 0.02 4.56 2.02 -1.26 -4.14 118.70 125.74 1xnt s GLU 3 Ca 0.28 -1.70 -0.03 0.00 0.02 0.00 0.00 54.97 53.54 1xnt s GLU 3 Cb -0.11 0.42 -0.01 0.00 0.10 0.00 0.00 34.13 34.52 1xnt s GLU 3 CO 0.04 -0.72 0.05 0.42 0.02 0.00 0.00 175.26 175.07 1xnt s ILE 4 N -3.33 0.12 0.10 -1.63 1.01 -0.59 -4.34 121.20 112.56 1xnt s ILE 4 Ca 0.31 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1xnt s ILE 4 Cb 0.01 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1xnt s ILE 4 CO 0.19 -0.56 0.09 -2.11 0.00 0.00 0.00 174.94 172.55 1xnt n ARG 5 N 1.15 0.13 -4.50 2.79 1.85 -1.26 -3.82 116.66 113.01 1xnt n ARG 5 Ca -0.21 -1.04 -0.25 0.00 -1.00 0.00 0.00 57.85 55.34 1xnt n ARG 5 Cb 0.57 0.86 -0.10 0.00 -1.05 0.00 0.00 32.46 32.74 1xnt n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xnt s LEU 6 N 0.00 2.72 -0.08 2.89 2.01 -1.26 -3.20 118.68 121.75 1xnt s LEU 6 Ca 0.12 -1.11 -0.03 0.00 0.01 0.00 0.00 54.13 53.12 1xnt s LEU 6 Cb 0.01 -1.08 -0.04 0.00 0.01 0.00 0.00 46.19 45.09 1xnt s LEU 6 CO 0.09 -0.12 -0.09 -1.14 1.01 0.00 0.00 176.35 176.10 1xnt n ARG 7 N -0.75 0.17 -3.57 1.70 0.63 0.22 -4.53 116.66 110.53 1xnt n ARG 7 Ca -0.05 0.07 -0.10 0.00 -0.92 0.00 0.00 57.85 56.85 1xnt n ARG 7 Cb 0.62 -0.86 -0.02 0.00 0.45 0.00 0.00 32.46 32.65 1xnt n ARG 7 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1xnt s HIS 8 N -2.14 -0.40 -0.98 -0.14 -3.43 -1.25 -4.99 115.29 101.96 1xnt s HIS 8 Ca -0.11 0.12 -0.24 0.00 -0.80 0.00 0.00 55.06 54.04 1xnt s HIS 8 Cb 0.04 0.60 0.04 0.00 -1.43 0.00 0.00 32.58 31.83 1xnt s HIS 8 CO 0.14 -0.93 1.48 0.54 -2.00 0.00 0.00 174.74 173.98 1xnt s VAL 9 N -3.72 3.85 0.14 -5.38 0.11 -1.26 0.38 120.40 114.52 1xnt s VAL 9 Ca 0.05 -0.60 -0.25 0.00 -2.93 0.00 0.00 61.98 58.24 1xnt s VAL 9 Cb -0.02 -4.94 -0.01 0.00 -1.53 0.00 0.00 36.38 29.88 1xnt s VAL 9 CO -0.06 -1.83 1.61 1.62 -3.33 0.00 0.00 175.10 173.11 1xnt h VAL 10 N 6.77 0.30 -2.60 2.04 3.04 -1.56 -3.44 116.25 120.80 1xnt h VAL 10 Ca 0.14 0.00 -0.50 0.00 -1.01 0.00 0.00 66.70 65.33 1xnt h VAL 10 Cb 1.02 0.30 -0.14 0.00 -2.01 0.00 0.00 31.29 30.45 1xnt h VAL 10 CO 1.39 0.00 -0.68 -0.55 -1.01 0.00 0.00 177.57 176.72 1xnt s SER 11 N -4.95 2.85 -0.13 3.17 0.15 -0.46 -5.00 113.70 109.34 1xnt s SER 11 Ca -0.15 -1.17 -0.28 0.00 0.70 0.00 0.00 55.95 55.05 1xnt s SER 11 Cb 0.11 -0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.30 1xnt s SER 11 CO 0.66 -0.30 0.68 0.00 1.20 0.00 0.00 173.24 175.48 1xnt n SER 13 N 1.58 0.49 0.00 0.00 2.88 0.19 -4.92 113.62 113.84 1xnt n SER 13 Ca -0.17 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 1xnt n SER 13 Cb 0.56 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1xnt n SER 13 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xnt n SER 14 N -0.23 0.00 -3.69 -3.46 7.64 -1.18 -1.99 113.62 110.70 1xnt n SER 14 Ca 0.05 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.82 1xnt n SER 14 Cb 0.83 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.93 1xnt n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt s GLN 15 N 0.00 0.50 0.54 1.43 1.03 -1.26 -4.19 119.66 117.70 1xnt s GLN 15 Ca 0.00 0.81 -0.09 0.00 0.04 0.00 0.00 55.36 56.12 1xnt s GLN 15 Cb 0.00 0.10 0.13 0.00 0.03 0.00 0.00 33.01 33.27 1xnt s GLN 15 CO 0.00 -0.12 0.68 -3.47 -2.54 0.00 0.00 175.29 169.83 1xnt n ASP 16 N 3.76 -0.22 -0.04 12.60 -0.08 -0.80 -3.70 116.55 128.07 1xnt n ASP 16 Ca -0.19 -1.19 -0.01 0.00 -1.51 0.00 0.00 54.79 51.89 1xnt n ASP 16 Cb 0.56 -0.53 -0.00 0.00 2.34 0.00 0.00 41.12 43.48 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1xnt h SER 17 N -1.08 0.00 0.68 1.67 0.87 -1.92 -3.25 113.55 110.52 1xnt h SER 17 Ca -0.22 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 1xnt h SER 17 Cb 0.63 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1xnt h SER 17 CO 0.16 0.37 -0.33 0.71 -0.53 0.00 0.00 176.83 177.21 1xnt h THR 18 N -0.59 0.00 -1.25 2.23 1.35 -2.00 -3.25 112.91 109.40 1xnt h THR 18 Ca 0.00 -0.19 -0.75 0.00 -0.55 0.00 0.00 66.41 64.92 1xnt h THR 18 Cb 0.15 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.43 1xnt h THR 18 CO 0.00 0.00 2.19 1.41 -0.25 0.00 0.00 175.52 178.87 1xnt n HIS 19 N -4.97 2.85 -2.21 4.73 8.25 -1.26 -4.92 115.22 117.68 1xnt n HIS 19 Ca -0.11 -2.80 -0.26 0.00 -0.26 0.00 0.00 57.72 54.28 1xnt n HIS 19 Cb 0.36 -1.95 0.06 0.00 1.12 0.00 0.00 29.99 29.58 1xnt n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xnt h ALA 21 N -0.52 1.15 0.00 0.00 0.00 -1.83 -1.47 119.26 116.59 1xnt h ALA 21 Ca -0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xnt h ALA 21 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xnt h ALA 21 CO 0.61 0.07 -0.02 1.49 0.00 0.00 0.00 179.25 181.40 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.92 -0.49 114.58 116.98 1xnt h GLU 22 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xnt h GLU 22 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1xnt h GLU 22 CO 0.01 0.02 0.00 -0.91 -0.73 0.00 0.00 179.01 177.39 1xnt h ASN 23 N 0.00 0.00 0.40 1.04 2.35 -1.52 -1.10 115.58 116.74 1xnt h ASN 23 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xnt h ASN 23 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1xnt h ASN 23 CO 0.00 0.00 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.51 1xnt h LEU 24 N 0.00 0.00 -2.53 1.61 3.38 -1.27 -0.66 115.31 115.84 1xnt h LEU 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xnt h LEU 24 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xnt h LEU 24 CO 0.00 0.21 0.00 -0.07 0.09 0.00 0.00 178.44 178.67 1xnt h LEU 25 N 0.00 0.00 -6.66 1.67 -0.00 -1.37 -3.13 115.31 105.82 1xnt h LEU 25 Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.27 1xnt h LEU 25 Cb 0.46 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.71 1xnt h LEU 25 CO 0.03 0.00 -0.65 0.29 -0.00 0.00 0.00 178.44 178.11 1xnt n LYS 26 N -2.98 1.85 -0.23 1.13 4.76 -0.25 -4.94 118.16 117.50 1xnt n LYS 26 Ca -0.02 -4.36 -0.13 0.00 -2.87 0.00 0.00 58.31 50.93 1xnt n LYS 26 Cb 0.11 -2.16 -0.10 0.00 -1.84 0.00 0.00 35.03 31.05 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xnt h ALA 27 N 4.92 -0.68 -3.00 7.82 0.00 -1.68 -3.38 119.26 123.27 1xnt h ALA 27 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xnt h ALA 27 Cb 0.74 1.20 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1xnt h ALA 27 CO 0.71 -1.01 0.00 -0.40 0.00 0.00 0.00 179.25 178.55 1xnt n ASP 28 N -5.34 0.00 0.00 0.00 5.75 -1.26 -4.63 116.55 111.07 1xnt n ASP 28 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1xnt n ASP 28 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1xnt n THR 29 N 0.00 0.00 -2.52 2.12 -2.24 -1.26 -3.94 114.28 106.44 1xnt n THR 29 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xnt n THR 29 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnt n TYR 30 N 0.00 -0.14 -3.66 4.78 4.11 -1.26 -5.16 117.16 115.83 1xnt n TYR 30 Ca 0.00 -0.16 -0.15 0.00 -0.00 0.00 0.00 57.90 57.59 1xnt n TYR 30 Cb 0.00 0.67 -0.08 0.00 -0.00 0.00 0.00 39.34 39.93 1xnt n TYR 30 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xnt s ARG 31 N 0.01 0.80 0.00 -3.48 0.52 -1.25 -5.14 118.95 110.41 1xnt s ARG 31 Ca 0.01 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 1xnt s ARG 31 Cb 0.03 0.37 0.00 0.00 0.52 0.00 0.00 34.95 35.87 1xnt s ARG 31 CO -0.01 -0.22 0.00 1.63 0.02 0.00 0.00 175.30 176.72 1xnt n LYS 32 N 1.37 1.59 -3.72 3.54 4.76 -1.26 -4.62 118.16 119.81 1xnt n LYS 32 Ca -0.19 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.87 1xnt n LYS 32 Cb 0.56 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.69 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1xnt s TRP 33 N -0.16 3.66 -0.14 2.13 -0.00 -0.71 -4.41 118.94 119.30 1xnt s TRP 33 Ca 0.00 0.73 -0.07 0.00 -0.00 0.00 0.00 56.10 56.76 1xnt s TRP 33 Cb 0.00 -2.09 0.06 0.00 -0.00 0.00 0.00 33.47 31.44 1xnt s TRP 33 CO 0.00 0.70 0.33 1.03 -0.00 0.00 0.00 176.95 179.01 1xnt s ARG 34 N -1.06 0.27 0.36 5.86 0.52 -1.21 -3.33 118.95 120.36 1xnt s ARG 34 Ca 0.19 0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 55.87 1xnt s ARG 34 Cb -0.14 -0.01 -0.12 0.00 0.52 0.00 0.00 34.95 35.19 1xnt s ARG 34 CO 0.08 -0.20 0.94 0.00 0.02 0.00 0.00 175.30 176.14 1xnt n ALA 35 N 4.62 -0.28 0.11 2.13 0.00 -0.55 -1.91 120.51 124.63 1xnt n ALA 35 Ca -0.19 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1xnt n ALA 35 Cb 0.53 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.89 1xnt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 36 N 1.63 -0.24 -3.00 0.00 0.00 -1.73 -3.37 119.26 112.56 1xnt h ALA 36 Ca -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xnt h ALA 36 Cb 1.35 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1xnt h ALA 36 CO 0.58 -0.54 0.00 0.36 0.00 0.00 0.00 179.25 179.65 1xnt n LYS 37 N -5.11 2.65 -4.34 0.00 2.85 -1.26 -4.72 118.16 108.24 1xnt n LYS 37 Ca -0.09 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.95 1xnt n LYS 37 Cb 0.19 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.49 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xnt n ALA 38 N -3.00 0.66 0.00 0.58 0.00 -1.26 -4.31 120.51 113.18 1xnt n ALA 38 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1xnt n ALA 38 Cb 0.00 1.51 0.00 0.00 0.00 0.00 0.00 19.45 20.96 1xnt n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 39 N -0.74 3.21 4.26 0.00 0.00 -0.22 -4.62 105.19 107.06 1xnt n GLY 39 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1xnt n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 40 N -1.19 -2.56 0.25 1.61 1.02 -1.23 -2.52 120.64 116.03 1xnt n GLU 40 Ca 0.00 0.31 -0.10 0.00 -0.02 0.00 0.00 57.16 57.35 1xnt n GLU 40 Cb 0.00 -4.86 -0.05 0.00 -0.02 0.00 0.00 31.44 26.52 1xnt n GLU 40 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1xnt h LYS 41 N -1.44 -0.62 -2.09 3.49 3.64 -1.82 -3.17 116.57 114.57 1xnt h LYS 41 Ca -0.60 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1xnt h LYS 41 Cb 1.38 0.14 -0.21 0.00 -0.41 0.00 0.00 32.23 33.13 1xnt h LYS 41 CO 0.78 -0.41 -0.11 0.95 -2.27 0.00 0.00 179.45 178.39 1xnt s THR 42 N -4.42 -0.56 0.08 1.00 -4.23 -1.26 -1.19 115.64 105.06 1xnt s THR 42 Ca -0.09 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.50 1xnt s THR 42 Cb 0.01 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 1xnt s THR 42 CO 0.29 0.01 -0.10 0.27 -0.54 0.00 0.00 174.62 174.54 1xnt s ILE 43 N 2.35 3.36 0.07 2.99 -4.36 -0.56 -4.96 121.20 120.08 1xnt s ILE 43 Ca -0.07 -1.19 0.08 0.00 -0.26 0.00 0.00 60.65 59.21 1xnt s ILE 43 Cb -0.09 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 41.05 1xnt s ILE 43 CO -0.18 0.17 -0.21 -0.44 0.24 0.00 0.00 174.94 174.52 1xnt s SER 44 N -2.02 2.53 -0.26 4.36 0.01 -0.84 0.53 113.70 118.01 1xnt s SER 44 Ca 0.20 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 1xnt s SER 44 Cb -0.11 -0.18 0.15 0.00 0.21 0.00 0.00 66.02 66.09 1xnt s SER 44 CO 0.12 0.13 0.47 0.54 0.41 0.00 0.00 173.24 174.91 1xnt s VAL 45 N -0.93 -0.77 -0.27 3.43 0.11 0.16 0.55 120.40 122.67 1xnt s VAL 45 Ca 0.07 -0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.95 1xnt s VAL 45 Cb -0.09 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1xnt s VAL 45 CO 0.03 -0.06 0.38 -0.69 -3.33 0.00 0.00 175.10 171.43 1xnt s VAL 46 N 2.68 5.17 0.29 2.04 1.01 0.42 -0.75 120.40 131.26 1xnt s VAL 46 Ca 0.14 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1xnt s VAL 46 Cb -0.15 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1xnt s VAL 46 CO -0.18 0.14 0.44 -0.76 0.00 0.00 0.00 175.10 174.75 1xnt s LEU 47 N 2.09 4.16 -0.17 3.92 1.02 0.74 -1.35 118.68 129.08 1xnt s LEU 47 Ca 0.15 0.13 -0.05 0.00 0.02 0.00 0.00 54.13 54.39 1xnt s LEU 47 Cb -0.16 -2.97 -0.03 0.00 0.02 0.00 0.00 46.19 43.05 1xnt s LEU 47 CO 0.10 -0.21 0.00 -1.58 0.02 0.00 0.00 176.35 174.68 1xnt s GLN 48 N -4.12 3.78 0.07 1.70 2.00 0.16 -1.50 119.66 121.74 1xnt s GLN 48 Ca 0.38 -0.46 -0.29 0.00 -2.00 0.00 0.00 55.36 52.99 1xnt s GLN 48 Cb -0.09 -3.04 -0.05 0.00 0.80 0.00 0.00 33.01 30.62 1xnt s GLN 48 CO 0.31 0.23 0.93 -0.51 -0.50 0.00 0.00 175.29 175.75 1xnt s LEU 49 N 0.44 4.45 -0.01 3.68 2.01 -0.30 0.72 118.68 129.67 1xnt s LEU 49 Ca -0.01 1.69 -0.00 0.00 0.01 0.00 0.00 54.13 55.82 1xnt s LEU 49 Cb -0.14 -3.52 0.01 0.00 0.01 0.00 0.00 46.19 42.56 1xnt s LEU 49 CO 0.02 -0.11 1.78 1.21 1.01 0.00 0.00 176.35 180.26 1xnt n GLU 50 N 3.11 1.03 0.00 1.70 2.13 -1.20 -4.66 120.64 122.75 1xnt n GLU 50 Ca 0.02 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1xnt n GLU 50 Cb 0.50 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 31.19 1xnt n GLU 50 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1xnt n LYS 51 N 1.24 0.00 -2.41 5.31 2.85 -1.26 -5.02 118.16 118.87 1xnt n LYS 51 Ca 0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.84 1xnt n LYS 51 Cb 0.51 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.86 1xnt n LYS 51 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1xnt s GLU 52 N 0.00 3.54 0.33 -1.58 2.12 -1.26 -4.68 118.70 117.16 1xnt s GLU 52 Ca 0.00 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.11 1xnt s GLU 52 Cb 0.00 -4.03 -0.01 0.00 0.26 0.00 0.00 34.13 30.35 1xnt s GLU 52 CO 0.00 -1.62 0.36 0.39 -0.54 0.00 0.00 175.26 173.85 1xnt n GLU 53 N 8.18 0.52 -2.37 4.30 -0.58 -0.03 -4.72 120.64 125.94 1xnt n GLU 53 Ca 0.15 -2.98 -0.26 0.00 -0.42 0.00 0.00 57.16 53.65 1xnt n GLU 53 Cb 0.48 2.62 0.14 0.00 -0.57 0.00 0.00 31.44 34.11 1xnt n GLU 53 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1xnt s GLN 54 N -3.07 1.27 -0.01 3.49 -0.21 -1.26 0.25 119.66 120.12 1xnt s GLN 54 Ca 0.34 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.81 1xnt s GLN 54 Cb 0.01 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.86 1xnt s GLN 54 CO 0.24 -1.82 -0.02 0.42 -2.12 0.00 0.00 175.29 171.99 1xnt s ILE 55 N -3.41 0.19 0.00 1.08 1.09 -0.39 -4.43 121.20 115.33 1xnt s ILE 55 Ca 0.69 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 60.18 1xnt s ILE 55 Cb -0.04 -0.19 0.00 0.00 -1.06 0.00 0.00 42.46 41.17 1xnt s ILE 55 CO 0.48 0.07 0.00 1.57 -0.10 0.00 0.00 174.94 176.96 1xnt n HIS 56 N 3.25 0.00 -4.18 3.97 -0.00 -0.88 -4.44 115.22 112.93 1xnt n HIS 56 Ca -0.15 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.91 1xnt n HIS 56 Cb 0.57 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.34 1xnt n HIS 56 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xnt s SER 57 N -3.17 0.85 0.14 0.26 0.01 -0.17 -1.51 113.70 110.12 1xnt s SER 57 Ca 0.00 -1.13 -0.04 0.00 1.31 0.00 0.00 55.95 56.09 1xnt s SER 57 Cb 0.00 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 1xnt s SER 57 CO 0.00 -0.60 0.13 -0.69 0.41 0.00 0.00 173.24 172.49 1xnt s VAL 58 N -3.80 0.10 -0.15 3.43 1.01 -0.49 -1.34 120.40 119.16 1xnt s VAL 58 Ca 0.20 -1.72 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 1xnt s VAL 58 Cb 0.07 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.57 1xnt s VAL 58 CO 0.00 -0.43 0.23 -1.81 0.00 0.00 0.00 175.10 173.09 1xnt s ASP 59 N -3.01 0.83 -0.09 3.32 1.11 -0.41 -0.97 116.67 117.46 1xnt s ASP 59 Ca 0.21 0.20 -0.01 0.00 0.18 0.00 0.00 52.55 53.13 1xnt s ASP 59 Cb 0.06 0.51 0.03 0.00 1.07 0.00 0.00 42.92 44.58 1xnt s ASP 59 CO 0.01 -0.28 -0.03 -0.63 1.18 0.00 0.00 175.17 175.42 1xnt s ILE 60 N 2.36 0.64 -1.04 0.77 1.09 -0.40 0.12 121.20 124.74 1xnt s ILE 60 Ca 0.04 -0.04 -0.23 0.00 -1.10 0.00 0.00 60.65 59.32 1xnt s ILE 60 Cb -0.14 -0.74 0.04 0.00 -1.06 0.00 0.00 42.46 40.57 1xnt s ILE 60 CO -0.10 0.30 1.52 -0.83 -0.10 0.00 0.00 174.94 175.73 1xnt s GLY 61 N 1.85 1.20 -0.14 6.18 0.00 -0.18 -0.88 107.32 115.36 1xnt s GLY 61 Ca 0.05 -2.26 -0.29 0.00 0.00 0.00 0.00 44.72 42.21 1xnt s GLY 61 CO -0.06 2.76 1.46 -1.31 0.00 0.00 0.00 173.10 175.95 1xnt s ASN 62 N 5.16 6.75 0.00 1.64 0.02 -1.08 -0.15 114.94 127.28 1xnt s ASN 62 Ca 0.49 1.87 0.00 0.00 -1.02 0.00 0.00 52.86 54.19 1xnt s ASN 62 Cb -0.00 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.73 1xnt s ASN 62 CO -0.08 -0.90 0.01 0.47 0.02 0.00 0.00 177.10 176.62 1xnt n ASP 63 N 7.09 0.00 -0.79 -1.22 9.92 -0.82 -2.62 116.55 128.11 1xnt n ASP 63 Ca 0.16 0.01 0.05 0.00 -0.53 0.00 0.00 54.79 54.48 1xnt n ASP 63 Cb 0.44 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.14 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xnt n GLY 64 N 1.61 4.49 1.67 0.44 0.00 -0.99 -3.24 105.19 109.16 1xnt n GLY 64 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xnt n SER 65 N -0.89 -2.47 0.10 1.61 3.41 -1.26 -4.59 113.62 109.53 1xnt n SER 65 Ca 0.23 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1xnt n SER 65 Cb 0.88 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 66 N -3.54 1.39 -3.78 7.33 0.00 -1.25 -3.84 120.51 116.82 1xnt n ALA 66 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 1xnt n ALA 66 Cb 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.51 1xnt n ALA 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xnt s PHE 67 N -2.00 2.79 -0.29 0.00 0.08 0.27 0.49 117.98 119.32 1xnt s PHE 67 Ca 0.00 -1.34 0.02 0.00 0.12 0.00 0.00 56.93 55.73 1xnt s PHE 67 Cb 0.00 -1.92 0.07 0.00 -0.57 0.00 0.00 43.02 40.59 1xnt s PHE 67 CO 0.00 -0.65 -0.04 0.08 -0.10 0.00 0.00 175.22 174.51 1xnt s VAL 68 N 1.12 2.45 0.05 -0.44 1.01 -0.44 0.60 120.40 124.76 1xnt s VAL 68 Ca 0.01 -1.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 1xnt s VAL 68 Cb -0.14 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1xnt s VAL 68 CO -0.06 -0.19 0.47 -0.70 0.00 0.00 0.00 175.10 174.62 1xnt s GLU 69 N 1.10 3.99 -0.06 2.72 2.12 0.53 0.17 118.70 129.28 1xnt s GLU 69 Ca -0.04 0.50 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 1xnt s GLU 69 Cb -0.20 -3.16 0.03 0.00 0.26 0.00 0.00 34.13 31.06 1xnt s GLU 69 CO -0.05 0.63 0.02 0.08 -0.54 0.00 0.00 175.26 175.40 1xnt s VAL 70 N -1.17 0.26 0.32 3.70 1.01 0.40 -1.25 120.40 123.67 1xnt s VAL 70 Ca 0.28 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.55 1xnt s VAL 70 Cb -0.17 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1xnt s VAL 70 CO 0.16 0.24 -0.05 -0.76 0.00 0.00 0.00 175.10 174.70 1xnt s LEU 71 N 2.02 2.90 0.32 3.92 1.02 -0.17 -0.87 118.68 127.81 1xnt s LEU 71 Ca 0.05 -0.98 0.05 0.00 0.02 0.00 0.00 54.13 53.27 1xnt s LEU 71 Cb -0.12 -1.30 -0.06 0.00 0.02 0.00 0.00 46.19 44.72 1xnt s LEU 71 CO -0.05 -0.15 0.02 0.68 0.02 0.00 0.00 176.35 176.88 1xnt s VAL 72 N -2.50 1.38 0.00 -1.59 -7.23 -0.05 -1.44 120.40 108.97 1xnt s VAL 72 Ca 0.33 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1xnt s VAL 72 Cb -0.01 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1xnt s VAL 72 CO 0.18 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1xnt n GLY 73 N -0.69 0.63 3.73 2.32 0.00 -0.92 -0.60 105.19 109.67 1xnt n GLY 73 Ca -0.03 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1xnt n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xnt s SER 74 N 0.00 4.86 0.00 1.61 0.15 -1.26 -0.84 113.70 118.22 1xnt s SER 74 Ca 0.00 -0.60 0.08 0.00 0.70 0.00 0.00 55.95 56.13 1xnt s SER 74 Cb 0.00 -0.93 0.26 0.00 -1.71 0.00 0.00 66.02 63.65 1xnt s SER 74 CO 0.00 -0.15 1.21 -1.54 1.20 0.00 0.00 173.24 173.96 1xnt n SER 75 N -1.09 1.24 -4.66 5.45 3.41 -1.26 -4.82 113.62 111.88 1xnt n SER 75 Ca -0.05 -1.97 -0.51 0.00 -0.26 0.00 0.00 58.87 56.08 1xnt n SER 75 Cb 0.60 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 76 N 0.16 0.20 -1.63 7.33 0.00 -1.26 -4.79 120.51 120.52 1xnt n ALA 76 Ca 0.08 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.54 1xnt n ALA 76 Cb 0.20 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 1xnt n ALA 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xnt s GLY 77 N 2.30 -0.01 0.00 0.00 0.00 -1.26 -4.30 107.32 104.05 1xnt s GLY 77 Ca 0.89 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1xnt s GLY 77 CO 0.51 3.94 0.00 0.61 0.00 0.00 0.00 173.10 178.16 1xnt n GLY 78 N 5.87 0.03 0.26 0.20 0.00 -1.26 -5.07 105.19 105.22 1xnt n GLY 78 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt n ALA 79 N 0.00 0.00 0.00 4.61 0.00 -1.26 -5.11 120.51 118.75 1xnt n ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xnt n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xnt n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 80 N -1.02 0.78 0.02 0.00 0.00 -1.26 -4.12 105.19 99.58 1xnt n GLY 80 Ca 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.60 1xnt n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 81 N 3.29 0.97 -1.01 1.61 1.02 -1.26 -4.50 120.64 120.76 1xnt n GLU 81 Ca 0.00 -0.07 -0.19 0.00 -0.02 0.00 0.00 57.16 56.89 1xnt n GLU 81 Cb 0.00 -1.25 0.16 0.00 -0.02 0.00 0.00 31.44 30.33 1xnt n GLU 81 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xnt n GLN 82 N -2.02 2.16 -1.39 3.49 1.13 -1.26 -4.31 117.38 115.18 1xnt n GLN 82 Ca -0.06 -2.51 -0.15 0.00 -1.94 0.00 0.00 57.00 52.33 1xnt n GLN 82 Cb 0.44 -1.99 0.10 0.00 0.11 0.00 0.00 30.24 28.91 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1xnt n ASP 83 N -0.80 4.07 -3.39 1.08 -0.08 -1.26 -5.02 116.55 111.16 1xnt n ASP 83 Ca 0.48 -3.80 -0.11 0.00 -1.51 0.00 0.00 54.79 49.86 1xnt n ASP 83 Cb 1.46 -0.52 0.02 0.00 2.34 0.00 0.00 41.12 44.42 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xnt n TYR 84 N -0.91 -2.02 -4.47 -0.67 4.02 -1.26 -4.82 117.16 107.03 1xnt n TYR 84 Ca 0.39 -1.06 -0.21 0.00 -0.01 0.00 0.00 57.90 57.01 1xnt n TYR 84 Cb 0.90 -0.24 -0.16 0.00 -0.02 0.00 0.00 39.34 39.82 1xnt n TYR 84 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1xnt s GLU 85 N -3.19 1.10 -0.99 -0.72 2.56 0.23 -4.90 118.70 112.78 1xnt s GLU 85 Ca 0.23 -0.36 -0.25 0.00 0.00 0.00 0.00 54.97 54.60 1xnt s GLU 85 Cb -0.02 -1.01 -0.12 0.00 2.00 0.00 0.00 34.13 34.98 1xnt s GLU 85 CO 0.15 0.14 2.10 0.08 -0.56 0.00 0.00 175.26 177.17 1xnt s VAL 86 N 0.15 3.26 -0.00 3.70 1.01 -1.26 -0.87 120.40 126.39 1xnt s VAL 86 Ca -0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1xnt s VAL 86 Cb -0.09 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 1xnt s VAL 86 CO 0.01 -0.51 0.77 0.25 0.00 0.00 0.00 175.10 175.61 1xnt h LEU 87 N 20.10 -0.35 -8.21 3.92 5.85 -1.82 -3.42 115.31 131.38 1xnt h LEU 87 Ca 0.08 0.01 -0.68 0.00 0.84 0.00 0.00 57.88 58.14 1xnt h LEU 87 Cb 0.99 0.09 -0.30 0.00 0.37 0.00 0.00 40.66 41.81 1xnt h LEU 87 CO 1.12 -0.15 -0.69 -0.22 -0.34 0.00 0.00 178.44 178.16 1xnt s LEU 88 N -6.72 3.58 1.23 2.25 2.96 -0.05 -0.50 118.68 121.43 1xnt s LEU 88 Ca -0.06 -0.89 -0.15 0.00 -0.22 0.00 0.00 54.13 52.81 1xnt s LEU 88 Cb 0.01 -1.76 0.30 0.00 0.50 0.00 0.00 46.19 45.24 1xnt s LEU 88 CO 0.18 -0.18 1.01 -0.69 -1.32 0.00 0.00 176.35 175.35 1xnt s VAL 89 N 1.38 1.81 0.09 1.68 1.01 -1.26 -0.45 120.40 124.66 1xnt s VAL 89 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 61.98 61.64 1xnt s VAL 89 Cb -0.17 -2.11 -0.13 0.00 0.00 0.00 0.00 36.38 33.96 1xnt s VAL 89 CO -0.01 0.00 1.66 0.41 0.00 0.00 0.00 175.10 177.15 1xnt n THR 90 N -5.07 0.16 -3.33 3.92 -1.04 -1.25 -4.31 114.28 103.37 1xnt n THR 90 Ca 0.05 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.62 1xnt n THR 90 Cb 0.56 -1.61 -0.09 0.00 -1.82 0.00 0.00 70.33 67.38 1xnt n THR 90 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1xnt s SER 91 N 1.78 6.24 -1.08 8.00 1.04 0.13 -4.69 113.70 125.11 1xnt s SER 91 Ca 0.83 -0.19 -0.17 0.00 0.48 0.00 0.00 55.95 56.90 1xnt s SER 91 Cb -0.69 -2.23 -0.07 0.00 0.10 0.00 0.00 66.02 63.13 1xnt s SER 91 CO 0.42 -0.42 2.10 -1.54 0.98 0.00 0.00 173.24 174.78 1xnt n SER 92 N 5.55 3.45 0.41 7.02 3.41 -1.24 -1.33 113.62 130.89 1xnt n SER 92 Ca -0.07 -2.72 -0.16 0.00 -0.26 0.00 0.00 58.87 55.66 1xnt n SER 92 Cb 0.49 -1.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.02 1xnt n SER 92 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1xnt h PHE 93 N 6.93 -0.97 -3.63 7.33 3.57 -0.30 -3.47 116.94 126.40 1xnt h PHE 93 Ca 0.50 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1xnt h PHE 93 Cb 0.61 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1xnt h PHE 93 CO 1.40 -0.60 0.00 -1.33 -2.23 0.00 0.00 178.31 175.54 1xnt n MET 94 N -5.01 1.94 -4.43 1.11 0.00 -1.19 -4.98 117.12 104.56 1xnt n MET 94 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.27 1xnt n MET 94 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.57 1xnt n MET 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1xnt s SER 95 N -0.78 4.29 -0.02 7.83 1.04 -1.26 -4.43 113.70 120.36 1xnt s SER 95 Ca 0.00 -1.45 0.07 0.00 0.48 0.00 0.00 55.95 55.05 1xnt s SER 95 Cb 0.00 0.29 0.24 0.00 0.10 0.00 0.00 66.02 66.65 1xnt s SER 95 CO 0.00 -0.85 1.12 -0.81 0.98 0.00 0.00 173.24 173.67 1xnt n PRO 96 N -1.38 1.78 0.00 4.02 -0.04 -1.26 -3.55 135.00 134.58 1xnt n PRO 96 Ca -0.11 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1xnt n PRO 96 Cb 0.66 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1xnt n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xnt n SER 97 N 0.23 3.92 0.17 3.54 2.88 -1.26 -4.72 113.62 118.38 1xnt n SER 97 Ca 0.09 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.71 1xnt n SER 97 Cb 0.31 0.13 0.09 0.00 -0.75 0.00 0.00 64.21 63.98 1xnt n SER 97 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1xnt h GLU 98 N 0.00 0.00 -0.02 -1.46 4.11 -1.83 -3.27 114.58 112.12 1xnt h GLU 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xnt h GLU 98 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1xnt h GLU 98 CO 0.00 0.19 0.08 0.66 0.07 0.00 0.00 179.01 180.00 1xnt h SER 99 N 0.00 0.00 0.00 3.06 4.64 -1.75 -3.24 113.55 116.26 1xnt h SER 99 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xnt h SER 99 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1xnt h SER 99 CO 0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 1xnt n ARG 100 N -3.19 0.00 -2.39 4.77 5.12 -1.23 -4.64 116.66 115.10 1xnt n ARG 100 Ca -0.02 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.87 1xnt n ARG 100 Cb 0.15 -0.43 0.10 0.00 -1.16 0.00 0.00 32.46 31.11 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1xnt n SER 101 N -0.16 -1.28 -0.00 0.55 2.88 -1.24 -4.76 113.62 109.60 1xnt n SER 101 Ca 0.00 -2.07 0.02 0.00 -1.33 0.00 0.00 58.87 55.49 1xnt n SER 101 Cb 0.00 0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1xnt n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xnt n GLY 102 N -1.26 0.10 3.31 0.46 0.00 -1.24 -5.02 105.19 101.53 1xnt n GLY 102 Ca -0.17 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1xnt n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 103 N -2.10 -0.16 -1.23 1.61 0.01 -1.22 -5.01 113.70 105.60 1xnt s SER 103 Ca -0.00 0.23 -0.31 0.00 1.31 0.00 0.00 55.95 57.17 1xnt s SER 103 Cb 0.03 1.17 0.04 0.00 0.21 0.00 0.00 66.02 67.47 1xnt s SER 103 CO 0.18 -0.03 0.66 -0.46 0.41 0.00 0.00 173.24 174.00 1xnt n ASN 104 N 4.36 -3.97 0.09 2.44 0.23 -1.26 -4.32 115.26 112.83 1xnt n ASN 104 Ca -0.09 -1.27 -0.06 0.00 -0.53 0.00 0.00 54.58 52.63 1xnt n ASN 104 Cb 0.55 -1.87 0.01 0.00 -2.08 0.00 0.00 39.78 36.39 1xnt n ASN 104 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1xnt h PRO 105 N -2.52 0.10 -2.47 -0.53 0.13 -1.82 -3.43 132.00 121.45 1xnt h PRO 105 Ca -0.71 -0.10 -0.26 0.00 -0.87 0.00 0.00 66.00 64.06 1xnt h PRO 105 Cb 1.40 0.03 -0.34 0.00 0.13 0.00 0.00 31.00 32.22 1xnt h PRO 105 CO 0.53 0.87 -0.57 -0.80 -0.23 0.00 0.00 178.00 177.80 1xnt s ASN 106 N -6.85 0.87 0.00 1.44 0.02 -1.20 -2.34 114.94 106.88 1xnt s ASN 106 Ca -0.01 0.08 0.00 0.00 -1.02 0.00 0.00 52.86 51.91 1xnt s ASN 106 Cb 0.11 0.62 0.00 0.00 0.02 0.00 0.00 41.25 42.00 1xnt s ASN 106 CO 0.81 -0.30 0.00 -2.11 0.02 0.00 0.00 177.10 175.52 1xnt n ARG 107 N 5.34 0.00 -4.39 -0.60 1.85 -1.08 -5.01 116.66 112.77 1xnt n ARG 107 Ca -0.05 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.59 1xnt n ARG 107 Cb 0.50 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.81 1xnt n ARG 107 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1xnt s VAL 108 N -2.55 1.93 -0.02 8.89 0.11 -1.26 -2.64 120.40 124.87 1xnt s VAL 108 Ca 0.00 -2.25 0.00 0.00 -2.93 0.00 0.00 61.98 56.80 1xnt s VAL 108 Cb 0.00 -2.17 0.02 0.00 -1.53 0.00 0.00 36.38 32.70 1xnt s VAL 108 CO 0.00 -0.50 0.02 -0.60 -3.33 0.00 0.00 175.10 170.69 1xnt s ARG 109 N -3.62 -0.01 0.36 1.54 6.06 -0.06 -4.70 118.95 118.52 1xnt s ARG 109 Ca 0.25 0.14 0.08 0.00 -2.50 0.00 0.00 55.73 53.71 1xnt s ARG 109 Cb -0.01 -0.22 -0.04 0.00 0.06 0.00 0.00 34.95 34.73 1xnt s ARG 109 CO 0.10 -0.13 0.14 -1.64 -2.50 0.00 0.00 175.30 171.27 1xnt s MET 110 N 0.87 2.31 0.15 5.12 -1.94 -1.26 -1.28 119.30 123.28 1xnt s MET 110 Ca -0.07 -1.63 -0.01 0.00 -1.71 0.00 0.00 55.69 52.27 1xnt s MET 110 Cb -0.11 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.58 1xnt s MET 110 CO -0.02 0.05 0.06 -0.06 -0.01 0.00 0.00 175.02 175.04 1xnt s PHE 111 N -2.47 0.99 0.00 -0.03 0.40 -0.14 -4.96 117.98 111.76 1xnt s PHE 111 Ca 0.38 -1.23 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 1xnt s PHE 111 Cb -0.01 -0.54 0.00 0.00 0.51 0.00 0.00 43.02 42.98 1xnt s PHE 111 CO 0.22 -0.49 0.00 0.41 0.70 0.00 0.00 175.22 176.06 1xnt n GLY 112 N -0.16 5.50 0.19 4.36 0.00 -1.26 -1.40 105.19 112.42 1xnt n GLY 112 Ca -0.04 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1xnt n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt h PRO 113 N 0.00 0.53 0.00 1.61 0.13 -1.60 -3.11 132.00 129.56 1xnt h PRO 113 Ca 0.00 -0.45 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1xnt h PRO 113 Cb 0.00 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 1xnt h PRO 113 CO 0.00 1.08 -0.16 -0.44 -0.23 0.00 0.00 178.00 178.25 1xnt h ASP 114 N 0.35 0.00 -0.06 1.44 3.32 -1.97 -1.29 116.42 118.21 1xnt h ASP 114 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1xnt h ASP 114 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1xnt h ASP 114 CO 0.14 0.16 0.00 0.29 -1.72 0.00 0.00 179.24 178.12 1xnt n LYS 115 N -3.95 1.71 -4.30 3.56 4.01 -1.18 -4.87 118.16 113.14 1xnt n LYS 115 Ca -0.02 -1.04 -0.20 0.00 -0.51 0.00 0.00 58.31 56.54 1xnt n LYS 115 Cb 0.25 -1.46 -0.13 0.00 -0.51 0.00 0.00 35.03 33.19 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1xnt s LEU 116 N -1.89 2.21 0.28 -0.35 0.05 -0.49 -4.02 118.68 114.48 1xnt s LEU 116 Ca 0.36 -0.52 -0.29 0.00 0.05 0.00 0.00 54.13 53.73 1xnt s LEU 116 Cb 0.20 -0.59 -0.10 0.00 -2.05 0.00 0.00 46.19 43.65 1xnt s LEU 116 CO 0.32 0.00 1.18 0.54 -0.55 0.00 0.00 176.35 177.84 1xnt s VAL 117 N -1.00 3.26 0.26 1.48 0.11 0.35 -4.86 120.40 119.99 1xnt s VAL 117 Ca 0.01 1.23 0.06 0.00 -2.93 0.00 0.00 61.98 60.35 1xnt s VAL 117 Cb -0.09 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1xnt s VAL 117 CO 0.02 0.28 1.60 0.03 -3.33 0.00 0.00 175.10 173.69 1xnt h ARG 118 N 3.93 0.18 0.00 1.54 3.08 -1.92 0.37 114.38 121.56 1xnt h ARG 118 Ca -0.47 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.47 1xnt h ARG 118 Cb 1.22 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1xnt h ARG 118 CO 0.68 0.70 0.00 0.00 -1.07 0.00 0.00 179.97 180.28 1xnt h ALA 119 N 1.27 1.00 0.00 0.04 0.00 -1.97 -2.73 119.26 116.87 1xnt h ALA 119 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1xnt h ALA 119 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1xnt h ALA 119 CO 0.09 0.00 -1.54 0.00 0.00 0.00 0.00 179.25 177.80 1xnt n ALA 120 N -2.08 2.34 -0.08 0.00 0.00 -1.03 -4.56 120.51 115.10 1xnt n ALA 120 Ca -0.02 -0.38 0.26 0.00 0.00 0.00 0.00 53.44 53.30 1xnt n ALA 120 Cb 0.16 0.37 0.72 0.00 0.00 0.00 0.00 19.45 20.70 1xnt n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 121 N -0.33 2.59 -0.42 0.00 0.00 -0.33 0.67 119.26 121.44 1xnt h ALA 121 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xnt h ALA 121 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xnt h ALA 121 CO -0.14 -0.99 0.00 -0.85 0.00 0.00 0.00 179.25 177.27 1xnt n GLU 122 N -3.99 3.73 -5.13 0.00 -0.00 -1.03 -1.26 120.64 112.96 1xnt n GLU 122 Ca 0.15 -2.24 -0.32 0.00 -0.00 0.00 0.00 57.16 54.75 1xnt n GLU 122 Cb 0.88 -2.02 -0.16 0.00 -0.00 0.00 0.00 31.44 30.14 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xnt s LYS 123 N -2.22 2.79 -0.27 3.44 1.02 0.23 -4.97 119.74 119.75 1xnt s LYS 123 Ca 0.39 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 1xnt s LYS 123 Cb 0.29 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1xnt s LYS 123 CO 0.12 0.34 1.81 1.03 -0.92 0.00 0.00 175.35 177.73 1xnt s ARG 124 N -0.04 3.47 0.34 1.68 0.52 -1.26 -4.21 118.95 119.44 1xnt s ARG 124 Ca -0.06 1.61 0.09 0.00 -0.52 0.00 0.00 55.73 56.85 1xnt s ARG 124 Cb -0.15 -4.17 -0.06 0.00 0.52 0.00 0.00 34.95 31.09 1xnt s ARG 124 CO 0.05 -1.70 -0.02 -1.58 0.02 0.00 0.00 175.30 172.06 1xnt s TRP 125 N 6.51 2.50 -0.00 -0.53 0.52 0.14 -4.69 118.94 123.38 1xnt s TRP 125 Ca 0.81 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 56.49 1xnt s TRP 125 Cb -0.25 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.64 1xnt s TRP 125 CO 0.33 0.52 0.69 -0.40 0.02 0.00 0.00 176.95 178.11 1xnt n ASP 126 N -0.90 0.09 -3.86 2.95 5.68 -0.58 -0.85 116.55 119.08 1xnt n ASP 126 Ca -0.04 -1.39 -0.12 0.00 -0.50 0.00 0.00 54.79 52.74 1xnt n ASP 126 Cb 0.62 -0.07 -0.12 0.00 -1.14 0.00 0.00 41.12 40.41 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1xnt s ARG 127 N -0.07 0.28 -0.00 0.11 0.52 -0.02 -1.15 118.95 118.62 1xnt s ARG 127 Ca 0.00 -0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 1xnt s ARG 127 Cb 0.00 0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.59 1xnt s ARG 127 CO 0.00 -0.05 -0.02 0.54 0.02 0.00 0.00 175.30 175.79 1xnt s VAL 128 N -0.55 0.14 -0.22 3.52 0.11 -0.56 -2.15 120.40 120.68 1xnt s VAL 128 Ca -0.06 -0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 1xnt s VAL 128 Cb -0.04 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1xnt s VAL 128 CO 0.01 0.04 0.06 -0.75 -3.33 0.00 0.00 175.10 171.13 1xnt s LYS 129 N -0.03 3.77 -0.24 1.54 2.20 -0.52 -0.18 119.74 126.27 1xnt s LYS 129 Ca 0.01 -0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 1xnt s LYS 129 Cb -0.01 -3.25 0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1xnt s LYS 129 CO -0.00 0.01 -0.12 0.42 -0.36 0.00 0.00 175.35 175.29 1xnt s ILE 130 N 1.08 2.19 -0.22 5.43 -1.09 0.07 -1.00 121.20 127.66 1xnt s ILE 130 Ca 0.04 -1.46 -0.03 0.00 -2.23 0.00 0.00 60.65 56.97 1xnt s ILE 130 Cb -0.14 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 1xnt s ILE 130 CO 0.03 0.10 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.08 1xnt s VAL 131 N 1.15 3.08 -0.77 2.92 1.01 -0.38 0.36 120.40 127.77 1xnt s VAL 131 Ca -0.06 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1xnt s VAL 131 Cb -0.18 -2.43 0.15 0.00 0.00 0.00 0.00 36.38 33.92 1xnt s VAL 131 CO -0.07 0.38 0.84 0.00 0.00 0.00 0.00 175.10 176.26 1xnt s SER 133 N 3.10 6.62 0.00 0.00 0.01 0.20 -1.50 113.70 122.13 1xnt s SER 133 Ca 0.19 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1xnt s SER 133 Cb -0.14 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1xnt s SER 133 CO -0.04 -0.02 0.00 0.00 0.41 0.00 0.00 173.24 173.59 1xnt n GLN 134 N 3.91 0.00 -1.92 12.44 10.64 -1.02 0.96 117.38 142.40 1xnt n GLN 134 Ca -0.07 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.84 1xnt n GLN 134 Cb 0.51 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.84 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1xnt s PRO 135 N 0.00 2.34 0.00 2.61 0.04 -0.33 -4.62 135.00 135.03 1xnt s PRO 135 Ca 0.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1xnt s PRO 135 Cb 0.00 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.66 1xnt s PRO 135 CO 0.00 -3.51 0.00 2.48 0.04 0.00 0.00 177.00 176.01 1xnt n TYR 136 N 14.91 0.00 -4.32 0.56 0.18 -1.23 -4.91 117.16 122.35 1xnt n TYR 136 Ca 0.38 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 60.01 1xnt n TYR 136 Cb 0.47 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.39 1xnt n TYR 136 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xnt n SER 137 N -0.97 1.41 0.00 9.48 2.88 -1.05 -5.00 113.62 120.37 1xnt n SER 137 Ca 0.00 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.26 1xnt n SER 137 Cb 0.00 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1xnt n SER 137 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xnt n LYS 138 N -0.57 0.84 0.00 -1.46 4.81 -1.25 -4.44 118.16 116.08 1xnt n LYS 138 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1xnt n LYS 138 Cb 0.36 -0.66 0.00 0.00 0.02 0.00 0.00 35.03 34.75 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xnt n ASP 139 N -1.28 0.34 -4.63 3.14 5.68 -1.26 -3.23 116.55 115.31 1xnt n ASP 139 Ca 0.00 -0.67 -0.30 0.00 -0.50 0.00 0.00 54.79 53.32 1xnt n ASP 139 Cb 0.16 0.35 -0.09 0.00 -1.14 0.00 0.00 41.12 40.40 1xnt n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1xnt s SER 140 N -0.35 4.70 0.62 -1.12 1.04 -1.26 -4.42 113.70 112.91 1xnt s SER 140 Ca 0.00 -0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.13 1xnt s SER 140 Cb 0.00 -1.01 0.06 0.00 0.10 0.00 0.00 66.02 65.17 1xnt s SER 140 CO 0.00 0.17 0.86 -2.16 0.98 0.00 0.00 173.24 173.09 1xnt s PRO 141 N -2.32 2.26 0.00 4.02 0.04 -1.26 -1.06 135.00 136.67 1xnt s PRO 141 Ca 0.24 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.45 1xnt s PRO 141 Cb -0.11 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1xnt s PRO 141 CO 0.16 -0.98 0.00 1.19 0.04 0.00 0.00 177.00 177.41 1xnt n PHE 142 N -2.54 -0.00 0.00 0.56 3.72 -1.26 -4.87 117.46 113.06 1xnt n PHE 142 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1xnt n PHE 142 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xnt n GLY 143 N 0.00 -0.04 3.17 1.37 0.00 -1.26 -1.48 105.19 106.96 1xnt n GLY 143 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1xnt n GLY 143 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xnt s LEU 144 N 0.00 1.84 0.26 0.99 -0.00 -1.21 -1.94 118.68 118.62 1xnt s LEU 144 Ca 0.00 -0.94 0.24 0.00 -0.00 0.00 0.00 54.13 53.44 1xnt s LEU 144 Cb 0.00 0.58 0.45 0.00 -0.00 0.00 0.00 46.19 47.22 1xnt s LEU 144 CO 0.00 -0.70 1.52 0.28 -0.00 0.00 0.00 176.35 177.45 1xnt h SER 145 N 2.90 0.00 -5.25 1.48 0.02 -0.86 -1.88 113.55 109.96 1xnt h SER 145 Ca -0.34 -0.05 0.31 0.00 -0.84 0.00 0.00 61.79 60.88 1xnt h SER 145 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 1xnt h SER 145 CO 0.59 0.02 0.84 0.72 -1.14 0.00 0.00 176.83 177.87 1xnt s PHE 146 N -3.19 -0.06 -0.07 3.45 -0.12 -1.25 -4.61 117.98 112.13 1xnt s PHE 146 Ca 0.07 -0.01 -0.06 0.00 -0.05 0.00 0.00 56.93 56.88 1xnt s PHE 146 Cb 0.10 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 43.04 1xnt s PHE 146 CO 0.67 -0.22 0.19 0.14 -0.05 0.00 0.00 175.22 175.95 1xnt s VAL 147 N -2.37 -0.01 0.15 -2.49 -7.23 -1.26 -1.00 120.40 106.18 1xnt s VAL 147 Ca 0.13 0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.22 1xnt s VAL 147 Cb 0.03 -0.27 0.01 0.00 0.56 0.00 0.00 36.38 36.70 1xnt s VAL 147 CO -0.04 0.01 0.33 -0.13 -0.31 0.00 0.00 175.10 174.96 1xnt s ARG 148 N 0.35 1.12 0.03 4.82 0.52 0.32 -4.94 118.95 121.16 1xnt s ARG 148 Ca -0.02 -1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 54.18 1xnt s ARG 148 Cb -0.03 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.82 1xnt s ARG 148 CO -0.01 -0.42 -0.01 -0.06 0.02 0.00 0.00 175.30 174.82 1xnt s PHE 149 N -3.90 0.30 -0.16 -0.53 0.08 -1.25 -1.28 117.98 111.23 1xnt s PHE 149 Ca 0.11 -0.62 -0.14 0.00 0.12 0.00 0.00 56.93 56.40 1xnt s PHE 149 Cb 0.03 -0.22 0.04 0.00 -0.57 0.00 0.00 43.02 42.30 1xnt s PHE 149 CO -0.05 -0.26 0.42 -3.38 -0.10 0.00 0.00 175.22 171.85 1xnt s HIS 150 N -2.12 -0.47 -2.71 0.36 -3.43 -0.45 -1.53 115.29 104.94 1xnt s HIS 150 Ca -0.10 1.13 0.26 0.00 -0.80 0.00 0.00 55.06 55.56 1xnt s HIS 150 Cb -0.05 0.17 0.70 0.00 -1.43 0.00 0.00 32.58 31.96 1xnt s HIS 150 CO -0.03 -0.23 1.55 -1.13 -2.00 0.00 0.00 174.74 172.89