#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 3.82 0.28 0.03 0.04 -1.26 -4.95 135.00 132.96 1xnt s PRO 2 Ca 0.00 -1.73 0.02 0.00 0.04 0.00 0.00 61.00 59.33 1xnt s PRO 2 Cb 0.00 -5.37 -0.05 0.00 0.04 0.00 0.00 34.50 29.12 1xnt s PRO 2 CO 0.00 -2.14 0.10 -1.21 0.04 0.00 0.00 177.00 173.79 1xnt s GLU 3 N 4.06 1.49 -0.07 4.56 0.41 -1.26 -3.87 118.70 124.02 1xnt s GLU 3 Ca 0.48 -1.82 -0.03 0.00 -0.41 0.00 0.00 54.97 53.19 1xnt s GLU 3 Cb 0.01 -0.31 0.04 0.00 -1.78 0.00 0.00 34.13 32.09 1xnt s GLU 3 CO -0.01 -0.32 0.14 0.42 -0.49 0.00 0.00 175.26 175.01 1xnt s ILE 4 N -3.66 -0.12 0.54 -1.63 1.01 -0.16 -4.44 121.20 112.75 1xnt s ILE 4 Ca 0.37 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.33 1xnt s ILE 4 Cb 0.07 -0.24 0.05 0.00 0.01 0.00 0.00 42.46 42.35 1xnt s ILE 4 CO 0.15 0.10 0.54 -0.13 0.00 0.00 0.00 174.94 175.60 1xnt s ARG 5 N 1.53 2.30 0.27 2.79 0.52 -1.26 -3.17 118.95 121.93 1xnt s ARG 5 Ca -0.05 -1.84 0.08 0.00 -0.52 0.00 0.00 55.73 53.40 1xnt s ARG 5 Cb -0.12 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1xnt s ARG 5 CO -0.06 -0.66 0.18 -0.51 0.02 0.00 0.00 175.30 174.27 1xnt s LEU 6 N -4.41 3.67 -0.08 2.53 1.02 -1.26 -3.60 118.68 116.56 1xnt s LEU 6 Ca 0.45 -0.37 -0.09 0.00 0.02 0.00 0.00 54.13 54.14 1xnt s LEU 6 Cb -0.04 -2.21 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 1xnt s LEU 6 CO 0.28 -0.10 -0.19 -1.14 0.02 0.00 0.00 176.35 175.22 1xnt n ARG 7 N -1.17 0.30 -3.60 1.70 3.00 -0.59 -4.70 116.66 111.59 1xnt n ARG 7 Ca -0.06 0.12 -0.10 0.00 -0.00 0.00 0.00 57.85 57.81 1xnt n ARG 7 Cb 0.58 -1.02 -0.02 0.00 0.00 0.00 0.00 32.46 32.01 1xnt n ARG 7 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1xnt s HIS 8 N -2.45 -0.38 -1.12 -0.14 -3.43 -1.26 -5.01 115.29 101.51 1xnt s HIS 8 Ca -0.17 0.08 -0.21 0.00 -0.80 0.00 0.00 55.06 53.96 1xnt s HIS 8 Cb 0.04 0.62 0.06 0.00 -1.43 0.00 0.00 32.58 31.86 1xnt s HIS 8 CO 0.24 -0.97 1.56 0.54 -2.00 0.00 0.00 174.74 174.11 1xnt s VAL 9 N -3.75 3.98 0.13 -5.38 0.11 -1.26 -0.61 120.40 113.62 1xnt s VAL 9 Ca 0.05 -1.17 -0.29 0.00 -2.93 0.00 0.00 61.98 57.64 1xnt s VAL 9 Cb -0.03 -5.10 -0.07 0.00 -1.53 0.00 0.00 36.38 29.66 1xnt s VAL 9 CO -0.05 -1.96 1.58 1.62 -3.33 0.00 0.00 175.10 172.97 1xnt h VAL 10 N 6.36 0.15 -3.53 2.04 3.04 -1.74 -3.43 116.25 119.15 1xnt h VAL 10 Ca 0.29 0.00 -0.52 0.00 -1.01 0.00 0.00 66.70 65.46 1xnt h VAL 10 Cb 0.96 0.15 -0.19 0.00 -2.01 0.00 0.00 31.29 30.20 1xnt h VAL 10 CO 1.44 0.00 -0.79 -0.55 -1.01 0.00 0.00 177.57 176.66 1xnt s SER 11 N -4.84 2.53 -0.06 3.17 0.15 -0.40 -5.03 113.70 109.24 1xnt s SER 11 Ca -0.16 -0.80 -0.13 0.00 0.70 0.00 0.00 55.95 55.56 1xnt s SER 11 Cb 0.09 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 1xnt s SER 11 CO 0.64 -0.02 0.31 0.00 1.20 0.00 0.00 173.24 175.36 1xnt n SER 13 N 1.93 2.18 0.00 0.00 2.88 0.21 -4.91 113.62 115.92 1xnt n SER 13 Ca -0.18 -2.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 1xnt n SER 13 Cb 0.57 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.31 0.00 -3.62 -3.46 7.64 -1.09 -1.91 113.62 110.86 1xnt n SER 14 Ca 0.15 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.88 1xnt n SER 14 Cb 0.80 0.00 -0.07 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 0.83 0.28 1.43 1.03 -1.26 -4.26 119.66 117.72 1xnt s GLN 15 Ca 0.00 0.71 -0.01 0.00 0.04 0.00 0.00 55.36 56.11 1xnt s GLN 15 Cb 0.00 0.40 0.06 0.00 0.03 0.00 0.00 33.01 33.50 1xnt s GLN 15 CO 0.00 -0.15 0.38 -0.25 -2.54 0.00 0.00 175.29 172.73 1xnt n ASP 16 N 2.23 0.45 -0.03 12.60 8.00 -0.91 -3.34 116.55 135.54 1xnt n ASP 16 Ca -0.15 -1.39 -0.01 0.00 0.71 0.00 0.00 54.79 53.94 1xnt n ASP 16 Cb 0.56 -0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1xnt h SER 17 N -0.26 0.00 0.55 -2.24 0.87 -1.92 -3.23 113.55 107.32 1xnt h SER 17 Ca -0.12 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 1xnt h SER 17 Cb 0.45 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1xnt h SER 17 CO 0.13 0.30 -0.27 0.71 -0.53 0.00 0.00 176.83 177.17 1xnt h THR 18 N -0.46 0.43 -2.93 2.23 1.35 -2.00 -3.26 112.91 108.26 1xnt h THR 18 Ca 0.00 -0.16 -0.79 0.00 -0.55 0.00 0.00 66.41 64.91 1xnt h THR 18 Cb 0.13 0.49 -0.25 0.00 -1.73 0.00 0.00 68.15 66.80 1xnt h THR 18 CO 0.00 0.03 0.86 1.41 -0.25 0.00 0.00 175.52 177.57 1xnt n HIS 19 N -5.37 4.27 -2.65 4.73 8.25 -1.26 -4.97 115.22 118.22 1xnt n HIS 19 Ca -0.12 -3.38 -0.22 0.00 -0.26 0.00 0.00 57.72 53.74 1xnt n HIS 19 Cb 0.32 -1.71 0.04 0.00 1.12 0.00 0.00 29.99 29.76 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 0.05 1.27 0.00 0.00 0.00 -1.85 -1.39 119.26 117.34 1xnt h ALA 21 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnt h ALA 21 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xnt h ALA 21 CO 0.54 0.08 0.00 1.49 0.00 0.00 0.00 179.25 181.36 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 -1.09 114.58 116.37 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 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1xnt h GLU 22 CO 0.01 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xnt h ASN 23 N 0.00 0.00 0.42 1.04 2.35 -1.52 -0.94 115.58 116.94 1xnt h ASN 23 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1xnt h ASN 23 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1xnt h ASN 23 CO 0.00 0.00 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.57 1xnt h LEU 24 N 0.00 0.00 -2.76 1.61 3.38 -1.40 -1.10 115.31 115.04 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 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xnt h LEU 24 CO 0.00 0.14 0.04 -0.07 0.09 0.00 0.00 178.44 178.64 1xnt h LEU 25 N 0.00 0.00 -6.12 1.67 -0.00 -1.36 -2.90 115.31 106.60 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 0.39 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.63 1xnt h LEU 25 CO 0.02 0.00 -0.53 0.29 -0.00 0.00 0.00 178.44 178.21 1xnt n LYS 26 N -3.26 2.71 0.12 1.13 4.76 -0.42 -4.89 118.16 118.31 1xnt n LYS 26 Ca -0.03 -4.70 0.20 0.00 -2.87 0.00 0.00 58.31 50.91 1xnt n LYS 26 Cb 0.12 -2.27 0.73 0.00 -1.84 0.00 0.00 35.03 31.77 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 4.08 2.03 -3.25 7.82 0.00 -1.67 -3.21 119.26 125.06 1xnt h ALA 27 Ca 0.19 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.46 1xnt h ALA 27 Cb 0.64 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.05 1xnt h ALA 27 CO 0.86 -0.66 -0.63 -0.51 0.00 0.00 0.00 179.25 178.31 1xnt s ASP 28 N -5.04 4.35 0.00 0.00 1.01 -1.26 -4.90 116.67 110.82 1xnt s ASP 28 Ca -0.04 -3.21 0.00 0.00 0.71 0.00 0.00 52.55 50.01 1xnt s ASP 28 Cb 0.14 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.50 1xnt s ASP 28 CO 0.49 -0.19 0.00 0.35 0.21 0.00 0.00 175.17 176.03 1xnt n THR 29 N 2.83 0.00 -2.03 -1.27 -2.24 -1.21 -5.07 114.28 105.29 1xnt n THR 29 Ca 0.10 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 1xnt n THR 29 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.27 -0.12 -3.60 4.78 4.11 -1.26 -5.15 117.16 115.65 1xnt n TYR 30 Ca 0.00 -0.13 -0.15 0.00 -0.00 0.00 0.00 57.90 57.62 1xnt n TYR 30 Cb 0.00 0.47 -0.07 0.00 -0.00 0.00 0.00 39.34 39.74 1xnt n TYR 30 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1xnt s ARG 31 N 0.01 0.87 0.00 -3.48 6.06 -1.26 -5.18 118.95 115.97 1xnt s ARG 31 Ca 0.01 0.76 0.00 0.00 -2.50 0.00 0.00 55.73 54.00 1xnt s ARG 31 Cb 0.03 0.42 0.00 0.00 0.06 0.00 0.00 34.95 35.46 1xnt s ARG 31 CO -0.01 -0.16 0.00 1.63 -2.50 0.00 0.00 175.30 174.26 1xnt n LYS 32 N 2.16 1.96 -3.23 5.12 5.02 -1.26 -4.67 118.16 123.26 1xnt n LYS 32 Ca -0.15 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.75 1xnt n LYS 32 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.51 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1xnt s TRP 33 N -0.51 3.81 -0.09 2.13 -0.00 -0.31 -4.52 118.94 119.46 1xnt s TRP 33 Ca 0.00 1.32 -0.04 0.00 -0.00 0.00 0.00 56.10 57.38 1xnt s TRP 33 Cb 0.00 -2.54 0.04 0.00 -0.00 0.00 0.00 33.47 30.98 1xnt s TRP 33 CO 0.00 0.57 0.21 1.03 -0.00 0.00 0.00 176.95 178.76 1xnt s ARG 34 N -1.16 0.16 0.55 5.86 0.52 -1.24 -3.21 118.95 120.43 1xnt s ARG 34 Ca 0.31 0.48 -0.20 0.00 -0.52 0.00 0.00 55.73 55.80 1xnt s ARG 34 Cb -0.20 -0.14 -0.08 0.00 0.52 0.00 0.00 34.95 35.05 1xnt s ARG 34 CO 0.20 -0.17 0.79 0.00 0.02 0.00 0.00 175.30 176.14 1xnt n ALA 35 N 4.28 -0.38 0.28 2.13 0.00 -0.38 -2.14 120.51 124.29 1xnt n ALA 35 Ca -0.25 0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.41 1xnt n ALA 35 Cb 0.52 -1.99 0.95 0.00 0.00 0.00 0.00 19.45 18.93 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 0.60 1.49 -4.16 0.00 0.00 -1.73 -3.35 119.26 112.13 1xnt h ALA 36 Ca -0.46 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.15 1xnt h ALA 36 Cb 1.37 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1xnt h ALA 36 CO 0.51 -0.14 -0.28 0.36 0.00 0.00 0.00 179.25 179.69 1xnt n LYS 37 N -3.56 0.29 -0.33 0.00 2.85 -1.26 -4.67 118.16 111.47 1xnt n LYS 37 Ca -0.01 -2.02 0.00 0.00 -1.05 0.00 0.00 58.31 55.23 1xnt n LYS 37 Cb 0.20 1.61 0.00 0.00 -0.65 0.00 0.00 35.03 36.19 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 -1.63 0.00 -3.18 0.58 0.00 -1.26 -4.44 120.51 110.57 1xnt n ALA 38 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1xnt n ALA 38 Cb 0.37 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 5.00 -0.20 3.46 0.00 0.00 0.33 -4.77 105.19 109.00 1xnt n GLY 39 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.61 0.13 -0.09 1.61 4.71 0.22 -4.61 120.64 119.01 1xnt n GLU 40 Ca -0.18 -1.18 -0.14 0.00 -0.01 0.00 0.00 57.16 55.64 1xnt n GLU 40 Cb 0.62 -3.21 -0.08 0.00 -1.01 0.00 0.00 31.44 27.76 1xnt n GLU 40 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1xnt h LYS 41 N 11.26 0.00 -1.85 3.49 3.64 -1.86 -3.15 116.57 128.10 1xnt h LYS 41 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1xnt h LYS 41 Cb 1.01 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.58 1xnt h LYS 41 CO 1.03 0.65 -0.32 0.95 -2.27 0.00 0.00 179.45 179.49 1xnt s THR 42 N -2.25 -0.81 0.07 1.00 -4.23 -1.26 -1.34 115.64 106.82 1xnt s THR 42 Ca -0.21 0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.40 1xnt s THR 42 Cb 0.03 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1xnt s THR 42 CO 0.46 -0.01 -0.17 0.27 -0.54 0.00 0.00 174.62 174.62 1xnt s ILE 43 N 2.73 2.86 0.09 2.99 -4.36 -0.25 -4.97 121.20 120.28 1xnt s ILE 43 Ca 0.07 -1.28 0.07 0.00 -0.26 0.00 0.00 60.65 59.26 1xnt s ILE 43 Cb -0.14 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 1xnt s ILE 43 CO -0.17 0.25 -0.19 -0.44 0.24 0.00 0.00 174.94 174.63 1xnt s SER 44 N -1.70 2.35 -0.27 4.36 0.01 -0.81 -0.15 113.70 117.50 1xnt s SER 44 Ca 0.16 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 1xnt s SER 44 Cb -0.11 -0.13 0.15 0.00 0.21 0.00 0.00 66.02 66.14 1xnt s SER 44 CO 0.07 0.04 0.40 0.54 0.41 0.00 0.00 173.24 174.71 1xnt s VAL 45 N -1.13 -0.64 -0.37 3.43 0.11 0.18 0.68 120.40 122.66 1xnt s VAL 45 Ca 0.05 -0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 58.72 1xnt s VAL 45 Cb -0.10 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1xnt s VAL 45 CO 0.04 -0.19 0.69 -0.69 -3.33 0.00 0.00 175.10 171.61 1xnt s VAL 46 N 2.56 4.83 0.38 2.04 1.01 0.18 -1.21 120.40 130.18 1xnt s VAL 46 Ca 0.12 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.76 1xnt s VAL 46 Cb -0.14 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1xnt s VAL 46 CO -0.23 -0.39 0.56 -0.76 0.00 0.00 0.00 175.10 174.29 1xnt s LEU 47 N 2.85 3.86 -0.10 3.92 1.02 0.67 -1.27 118.68 129.63 1xnt s LEU 47 Ca 0.26 0.11 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1xnt s LEU 47 Cb -0.14 -3.00 -0.03 0.00 0.02 0.00 0.00 46.19 43.04 1xnt s LEU 47 CO 0.16 -0.51 -0.04 -1.58 0.02 0.00 0.00 176.35 174.40 1xnt s GLN 48 N -4.35 3.13 0.04 1.70 -0.44 0.22 -0.96 119.66 119.01 1xnt s GLN 48 Ca 0.45 -0.51 -0.25 0.00 -2.50 0.00 0.00 55.36 52.56 1xnt s GLN 48 Cb -0.10 -2.75 -0.05 0.00 -1.64 0.00 0.00 33.01 28.47 1xnt s GLN 48 CO 0.34 0.52 0.76 -0.51 0.50 0.00 0.00 175.29 176.91 1xnt s LEU 49 N -0.41 4.44 0.00 3.68 1.43 0.60 -1.55 118.68 126.88 1xnt s LEU 49 Ca 0.07 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1xnt s LEU 49 Cb -0.12 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1xnt s LEU 49 CO 0.02 0.00 0.28 1.21 0.23 0.00 0.00 176.35 178.09 1xnt n GLU 50 N 2.88 0.55 0.00 1.70 2.13 -1.24 -4.61 120.64 122.05 1xnt n GLU 50 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1xnt n GLU 50 Cb 0.50 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.94 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 0.24 0.00 -1.56 5.31 2.85 -1.26 -5.03 118.16 118.71 1xnt n LYS 51 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1xnt n LYS 51 Cb 0.14 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.49 1xnt n LYS 51 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1xnt n GLU 52 N 0.00 1.19 -3.75 -1.58 2.13 -1.26 -4.72 120.64 112.65 1xnt n GLU 52 Ca 0.00 0.10 -0.16 0.00 0.66 0.00 0.00 57.16 57.76 1xnt n GLU 52 Cb 0.00 -3.34 -0.06 0.00 0.27 0.00 0.00 31.44 28.31 1xnt n GLU 52 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1xnt n GLU 53 N 8.93 0.41 -2.38 5.31 0.28 0.46 -4.72 120.64 128.94 1xnt n GLU 53 Ca 0.37 -2.58 -0.17 0.00 -0.16 0.00 0.00 57.16 54.62 1xnt n GLU 53 Cb 0.51 1.90 0.07 0.00 1.43 0.00 0.00 31.44 35.35 1xnt n GLU 53 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1xnt n GLN 54 N -0.55 0.38 -3.73 3.44 6.02 -1.26 0.91 117.38 122.59 1xnt n GLN 54 Ca 0.03 -2.33 -0.20 0.00 -0.01 0.00 0.00 57.00 54.48 1xnt n GLN 54 Cb 0.46 -0.35 -0.18 0.00 1.02 0.00 0.00 30.24 31.20 1xnt n GLN 54 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xnt s ILE 55 N -2.12 0.06 -0.08 5.09 1.09 -0.40 -4.57 121.20 120.26 1xnt s ILE 55 Ca 0.51 0.30 0.08 0.00 -1.10 0.00 0.00 60.65 60.44 1xnt s ILE 55 Cb -0.03 -0.27 -0.11 0.00 -1.06 0.00 0.00 42.46 40.98 1xnt s ILE 55 CO 0.33 0.20 0.04 1.57 -0.10 0.00 0.00 174.94 176.98 1xnt n HIS 56 N 5.11 0.00 -3.79 3.97 -0.00 -1.12 -4.57 115.22 114.82 1xnt n HIS 56 Ca -0.07 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.98 1xnt n HIS 56 Cb 0.50 -0.43 -0.10 0.00 -0.12 0.00 0.00 29.99 29.84 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 -4.05 -0.19 0.18 0.26 0.01 -0.35 -0.81 113.70 108.76 1xnt s SER 57 Ca -0.04 0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.49 1xnt s SER 57 Cb 0.03 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.61 1xnt s SER 57 CO 0.37 -0.31 -0.11 -0.69 0.41 0.00 0.00 173.24 172.92 1xnt s VAL 58 N -0.80 1.41 -0.01 3.43 1.01 -0.29 -0.82 120.40 124.34 1xnt s VAL 58 Ca -0.09 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.77 1xnt s VAL 58 Cb -0.05 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1xnt s VAL 58 CO 0.02 -0.65 0.01 -1.81 0.00 0.00 0.00 175.10 172.68 1xnt s ASP 59 N -3.25 0.15 -0.24 3.32 1.11 -0.29 -0.08 116.67 117.39 1xnt s ASP 59 Ca 0.20 0.00 -0.19 0.00 0.18 0.00 0.00 52.55 52.75 1xnt s ASP 59 Cb 0.01 -0.08 0.07 0.00 1.07 0.00 0.00 42.92 43.99 1xnt s ASP 59 CO 0.04 -0.07 0.63 -0.63 1.18 0.00 0.00 175.17 176.32 1xnt s ILE 60 N 0.63 -0.00 -0.11 0.77 1.09 -0.62 0.11 121.20 123.07 1xnt s ILE 60 Ca -0.06 0.01 -0.01 0.00 -1.10 0.00 0.00 60.65 59.50 1xnt s ILE 60 Cb -0.08 -0.89 -0.03 0.00 -1.06 0.00 0.00 42.46 40.40 1xnt s ILE 60 CO -0.02 0.00 -0.07 -0.83 -0.10 0.00 0.00 174.94 173.93 1xnt s GLY 61 N 0.86 1.68 -0.03 6.18 0.00 -0.67 -1.26 107.32 114.09 1xnt s GLY 61 Ca -0.04 -0.86 -0.22 0.00 0.00 0.00 0.00 44.72 43.60 1xnt s GLY 61 CO -0.07 -0.40 0.63 -1.31 0.00 0.00 0.00 173.10 171.95 1xnt s ASN 62 N -0.26 6.97 -0.70 1.64 0.02 0.55 -1.45 114.94 121.71 1xnt s ASN 62 Ca 0.04 1.16 0.03 0.00 -1.02 0.00 0.00 52.86 53.06 1xnt s ASN 62 Cb -0.13 -2.38 0.34 0.00 0.02 0.00 0.00 41.25 39.11 1xnt s ASN 62 CO 0.03 0.01 1.28 -0.67 0.02 0.00 0.00 177.10 177.76 1xnt n ASP 63 N 3.20 5.51 0.00 -1.22 -0.08 -0.28 -2.40 116.55 121.28 1xnt n ASP 63 Ca -0.05 -3.70 0.00 0.00 -1.51 0.00 0.00 54.79 49.53 1xnt n ASP 63 Cb 0.51 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 43.22 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xnt n GLY 64 N -0.24 2.31 3.47 0.27 0.00 -1.12 -3.47 105.19 106.40 1xnt n GLY 64 Ca 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xnt n SER 65 N 0.00 -1.44 0.09 1.61 2.88 -1.15 -4.83 113.62 110.78 1xnt n SER 65 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1xnt n SER 65 Cb 0.00 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt n ALA 66 N -4.52 3.00 -2.57 -1.46 0.00 -1.26 -4.16 120.51 109.54 1xnt n ALA 66 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 1xnt n ALA 66 Cb 0.55 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 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 3.22 -0.20 0.00 0.08 -0.11 -0.54 117.98 118.44 1xnt s PHE 67 Ca 0.00 0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.14 1xnt s PHE 67 Cb 0.00 -2.47 0.04 0.00 -0.57 0.00 0.00 43.02 40.03 1xnt s PHE 67 CO 0.00 -0.25 -0.09 0.08 -0.10 0.00 0.00 175.22 174.87 1xnt s VAL 68 N 1.84 1.54 -0.02 -0.44 1.01 -0.35 0.96 120.40 124.94 1xnt s VAL 68 Ca 0.09 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1xnt s VAL 68 Cb -0.16 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1xnt s VAL 68 CO 0.11 0.13 0.09 -0.70 0.00 0.00 0.00 175.10 174.72 1xnt s GLU 69 N 1.43 3.12 -0.12 2.72 2.12 -0.32 0.19 118.70 127.84 1xnt s GLU 69 Ca -0.02 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 54.90 1xnt s GLU 69 Cb -0.16 -2.90 0.01 0.00 0.26 0.00 0.00 34.13 31.34 1xnt s GLU 69 CO -0.08 0.67 -0.18 0.08 -0.54 0.00 0.00 175.26 175.21 1xnt s VAL 70 N -1.16 1.72 0.28 3.70 1.01 -0.61 -1.53 120.40 123.81 1xnt s VAL 70 Ca 0.21 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1xnt s VAL 70 Cb -0.12 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1xnt s VAL 70 CO 0.12 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 175.00 1xnt s LEU 71 N 0.90 3.26 0.11 3.92 1.02 0.15 -1.72 118.68 126.33 1xnt s LEU 71 Ca -0.07 -0.65 0.08 0.00 0.02 0.00 0.00 54.13 53.51 1xnt s LEU 71 Cb -0.15 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 1xnt s LEU 71 CO -0.01 -0.08 -0.20 0.68 0.02 0.00 0.00 176.35 176.76 1xnt s VAL 72 N -2.34 1.70 -0.03 -1.59 -7.23 0.44 -1.27 120.40 110.09 1xnt s VAL 72 Ca 0.33 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1xnt s VAL 72 Cb -0.05 -1.59 0.11 0.00 0.56 0.00 0.00 36.38 35.41 1xnt s VAL 72 CO 0.21 -0.12 1.18 -0.83 -0.31 0.00 0.00 175.10 175.22 1xnt s GLY 73 N -2.06 -0.36 0.23 2.32 0.00 -0.70 -0.39 107.32 106.36 1xnt s GLY 73 Ca 0.08 0.84 0.10 0.00 0.00 0.00 0.00 44.72 45.73 1xnt s GLY 73 CO 0.05 0.22 -0.11 -0.45 0.00 0.00 0.00 173.10 172.80 1xnt s SER 74 N -2.74 4.09 -0.00 1.64 0.15 -1.26 -0.31 113.70 115.26 1xnt s SER 74 Ca 0.12 -0.73 0.09 0.00 0.70 0.00 0.00 55.95 56.13 1xnt s SER 74 Cb 0.02 -0.60 0.27 0.00 -1.71 0.00 0.00 66.02 63.99 1xnt s SER 74 CO -0.03 0.06 1.21 -0.24 1.20 0.00 0.00 173.24 175.44 1xnt n SER 75 N -0.33 1.66 -4.59 5.45 2.88 -1.26 -4.72 113.62 112.71 1xnt n SER 75 Ca -0.09 -2.02 -0.41 0.00 -1.33 0.00 0.00 58.87 55.02 1xnt n SER 75 Cb 0.57 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt s ALA 76 N -1.60 2.49 0.00 -1.46 0.00 -1.26 -4.10 121.76 115.82 1xnt s ALA 76 Ca 0.20 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1xnt s ALA 76 Cb 0.11 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1xnt s ALA 76 CO 0.13 -3.18 0.00 0.41 0.00 0.00 0.00 175.76 173.13 1xnt n GLY 77 N 5.77 1.08 0.00 0.00 0.00 -1.26 -4.82 105.19 105.96 1xnt n GLY 77 Ca 0.30 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1xnt n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnt n GLY 78 N 0.00 3.01 1.18 -0.02 0.00 -1.26 -5.08 105.19 103.02 1xnt n GLY 78 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.22 0.18 0.00 4.61 0.00 -1.26 -5.16 120.51 117.66 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 -1.30 2.80 0.27 0.00 0.00 -1.26 -4.93 105.19 100.77 1xnt n GLY 80 Ca 0.00 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.26 1xnt n GLY 80 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xnt h GLU 81 N 0.00 0.00 -0.98 1.61 4.11 -2.03 -1.51 114.58 115.78 1xnt h GLU 81 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 59.00 1xnt h GLU 81 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 1xnt h GLU 81 CO 0.00 0.08 0.55 1.04 0.07 0.00 0.00 179.01 180.75 1xnt n GLN 82 N -3.93 2.24 -0.77 1.06 1.13 -1.26 -4.29 117.38 111.57 1xnt n GLN 82 Ca -0.02 -2.67 -0.03 0.00 -1.94 0.00 0.00 57.00 52.34 1xnt n GLN 82 Cb 0.17 -2.05 0.21 0.00 0.11 0.00 0.00 30.24 28.68 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 -0.87 2.67 -3.05 1.08 -0.08 -0.57 -5.00 116.55 110.73 1xnt n ASP 83 Ca 0.51 -3.67 -0.08 0.00 -1.51 0.00 0.00 54.79 50.04 1xnt n ASP 83 Cb 1.52 -0.63 0.01 0.00 2.34 0.00 0.00 41.12 44.36 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 -1.06 -1.97 -4.92 -0.67 4.02 -1.26 -4.91 117.16 106.39 1xnt n TYR 84 Ca 0.32 -0.81 -0.26 0.00 -0.01 0.00 0.00 57.90 57.14 1xnt n TYR 84 Cb 1.03 -0.18 -0.16 0.00 -0.02 0.00 0.00 39.34 40.01 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 -2.89 1.70 -0.93 -0.72 2.56 0.48 -4.87 118.70 114.03 1xnt s GLU 85 Ca 0.17 -0.67 -0.25 0.00 0.00 0.00 0.00 54.97 54.22 1xnt s GLU 85 Cb -0.01 -1.56 -0.10 0.00 2.00 0.00 0.00 34.13 34.46 1xnt s GLU 85 CO 0.11 0.35 2.09 0.08 -0.56 0.00 0.00 175.26 177.33 1xnt s VAL 86 N -0.25 3.30 0.14 3.70 1.01 -1.26 -0.42 120.40 126.62 1xnt s VAL 86 Ca 0.03 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1xnt s VAL 86 Cb -0.09 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1xnt s VAL 86 CO 0.01 -0.61 1.76 0.25 0.00 0.00 0.00 175.10 176.51 1xnt h LEU 87 N 19.61 0.18 -7.27 3.92 5.85 -1.67 -3.42 115.31 132.51 1xnt h LEU 87 Ca 0.08 0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.52 1xnt h LEU 87 Cb 0.99 -0.01 -0.36 0.00 0.37 0.00 0.00 40.66 41.65 1xnt h LEU 87 CO 1.14 0.14 -0.64 -1.48 -0.34 0.00 0.00 178.44 177.26 1xnt s LEU 88 N -10.25 -0.00 1.07 2.25 0.05 -0.70 -1.27 118.68 109.83 1xnt s LEU 88 Ca -0.13 0.32 -0.17 0.00 0.05 0.00 0.00 54.13 54.19 1xnt s LEU 88 Cb 0.10 0.25 0.13 0.00 -2.05 0.00 0.00 46.19 44.62 1xnt s LEU 88 CO 0.70 -0.24 0.07 1.33 -0.55 0.00 0.00 176.35 177.67 1xnt n VAL 89 N 5.24 0.00 -1.96 1.48 0.24 -1.26 -1.58 118.33 120.49 1xnt n VAL 89 Ca -0.06 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 1xnt n VAL 89 Cb 0.50 -0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 1xnt n VAL 89 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xnt s THR 90 N -2.14 2.43 -0.22 3.34 -1.32 -1.26 -4.32 115.64 112.16 1xnt s THR 90 Ca 0.46 0.41 -0.07 0.00 -1.21 0.00 0.00 61.69 61.27 1xnt s THR 90 Cb -0.07 -3.26 -0.03 0.00 -1.51 0.00 0.00 72.50 67.63 1xnt s THR 90 CO 0.50 0.08 0.06 -0.94 -2.21 0.00 0.00 174.62 172.12 1xnt s SER 91 N -0.05 5.21 -0.57 8.08 1.04 0.13 -4.67 113.70 122.86 1xnt s SER 91 Ca 0.54 -0.13 -0.23 0.00 0.48 0.00 0.00 55.95 56.61 1xnt s SER 91 Cb -0.43 -1.92 0.05 0.00 0.10 0.00 0.00 66.02 63.82 1xnt s SER 91 CO 0.53 0.03 0.91 -0.94 0.98 0.00 0.00 173.24 174.75 1xnt s SER 92 N 1.20 6.28 -0.27 7.02 1.04 -1.23 -1.21 113.70 126.53 1xnt s SER 92 Ca 0.04 -0.58 -0.08 0.00 0.48 0.00 0.00 55.95 55.81 1xnt s SER 92 Cb -0.14 -2.42 -0.13 0.00 0.10 0.00 0.00 66.02 63.43 1xnt s SER 92 CO 0.03 -1.25 -0.31 0.49 0.98 0.00 0.00 173.24 173.19 1xnt n PHE 93 N 7.38 0.00 -4.07 5.02 3.72 0.29 -4.98 117.46 124.82 1xnt n PHE 93 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 1xnt n PHE 93 Cb 0.47 -0.98 -0.01 0.00 -0.94 0.00 0.00 39.48 38.02 1xnt n PHE 93 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1xnt n MET 94 N -3.89 1.86 -4.52 -1.08 2.81 -1.26 -5.06 117.12 105.98 1xnt n MET 94 Ca -0.51 -0.37 -0.28 0.00 -1.81 0.00 0.00 57.70 54.73 1xnt n MET 94 Cb 0.92 0.10 -0.07 0.00 -0.71 0.00 0.00 33.22 33.46 1xnt n MET 94 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1xnt n SER 95 N -1.05 2.04 -0.33 7.83 3.41 -1.26 -4.68 113.62 119.58 1xnt n SER 95 Ca -0.02 -3.21 0.04 0.00 -0.26 0.00 0.00 58.87 55.42 1xnt n SER 95 Cb 0.06 0.79 0.12 0.00 -0.26 0.00 0.00 64.21 64.92 1xnt n SER 95 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1xnt n PRO 96 N -1.06 1.41 -0.02 4.33 -0.04 -1.26 -3.49 135.00 134.88 1xnt n PRO 96 Ca -0.12 -0.64 -0.06 0.00 -0.04 0.00 0.00 63.50 62.64 1xnt n PRO 96 Cb 0.63 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.91 1xnt n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xnt n SER 97 N 0.01 0.98 0.32 3.54 3.41 -1.26 -4.61 113.62 116.00 1xnt n SER 97 Ca 0.07 0.15 0.21 0.00 -0.26 0.00 0.00 58.87 59.04 1xnt n SER 97 Cb 0.16 -0.35 1.06 0.00 -0.26 0.00 0.00 64.21 64.82 1xnt n SER 97 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1xnt h GLU 98 N -0.30 0.00 -0.25 4.33 4.11 -1.89 -2.29 114.58 118.29 1xnt h GLU 98 Ca -0.10 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.40 1xnt h GLU 98 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1xnt h GLU 98 CO -0.06 0.00 0.22 0.77 0.07 0.00 0.00 179.01 180.02 1xnt h SER 99 N 0.00 0.00 0.00 3.06 0.02 -1.77 -2.33 113.55 112.53 1xnt h SER 99 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xnt h SER 99 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1xnt h SER 99 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1xnt n ARG 100 N -4.04 0.00 -2.09 3.45 1.74 -0.86 -4.58 116.66 110.28 1xnt n ARG 100 Ca 0.03 0.16 -0.03 0.00 -0.77 0.00 0.00 57.85 57.24 1xnt n ARG 100 Cb 0.37 -0.57 0.07 0.00 -1.02 0.00 0.00 32.46 31.31 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xnt n SER 101 N -1.57 -1.14 0.07 0.55 2.88 -1.23 -4.75 113.62 108.43 1xnt n SER 101 Ca 0.00 -1.94 0.04 0.00 -1.33 0.00 0.00 58.87 55.64 1xnt n SER 101 Cb 0.00 0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 1xnt n SER 101 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1xnt h GLY 102 N 0.63 0.00 0.00 0.46 0.00 -1.65 -3.48 103.07 99.03 1xnt h GLY 102 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1xnt h GLY 102 CO -0.18 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.80 1xnt n SER 103 N -2.90 0.00 -3.97 0.19 7.64 -1.26 -4.90 113.62 108.41 1xnt n SER 103 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 1xnt n SER 103 Cb 0.74 0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.82 1xnt n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xnt s ASN 104 N 1.69 4.55 0.42 6.43 4.22 -1.26 -4.91 114.94 126.08 1xnt s ASN 104 Ca 0.00 -3.09 0.27 0.00 -2.14 0.00 0.00 52.86 47.90 1xnt s ASN 104 Cb 0.00 -1.68 0.78 0.00 1.28 0.00 0.00 41.25 41.63 1xnt s ASN 104 CO 0.00 -0.24 1.76 1.55 -2.04 0.00 0.00 177.10 178.13 1xnt h PRO 105 N 6.47 0.00 -3.42 3.55 0.13 -1.66 -3.40 132.00 133.66 1xnt h PRO 105 Ca -0.04 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.64 1xnt h PRO 105 Cb 0.89 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.62 1xnt h PRO 105 CO 0.70 0.00 -0.76 -0.80 -0.23 0.00 0.00 178.00 176.91 1xnt s ASN 106 N -5.59 1.96 0.08 1.44 0.02 -1.26 -2.80 114.94 108.79 1xnt s ASN 106 Ca 0.06 -0.34 -0.06 0.00 -1.02 0.00 0.00 52.86 51.49 1xnt s ASN 106 Cb 0.08 -0.36 -0.01 0.00 0.02 0.00 0.00 41.25 40.97 1xnt s ASN 106 CO 0.59 -0.27 0.12 -0.60 0.02 0.00 0.00 177.10 176.97 1xnt s ARG 107 N 2.03 0.79 0.32 -0.60 3.52 -1.01 -5.02 118.95 118.97 1xnt s ARG 107 Ca 0.03 -1.06 0.10 0.00 -0.13 0.00 0.00 55.73 54.67 1xnt s ARG 107 Cb -0.14 0.30 -0.06 0.00 -1.56 0.00 0.00 34.95 33.49 1xnt s ARG 107 CO -0.06 -0.22 -0.11 0.14 -0.81 0.00 0.00 175.30 174.23 1xnt s VAL 108 N -3.89 2.19 0.11 7.11 -7.23 -1.26 -0.33 120.40 117.10 1xnt s VAL 108 Ca 0.06 -2.23 -0.15 0.00 -1.81 0.00 0.00 61.98 57.85 1xnt s VAL 108 Cb 0.06 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.49 1xnt s VAL 108 CO -0.10 -0.26 0.37 -0.13 -0.31 0.00 0.00 175.10 174.67 1xnt s ARG 109 N -3.61 1.01 0.20 4.82 3.00 -0.39 -4.84 118.95 119.15 1xnt s ARG 109 Ca 0.31 -0.69 0.05 0.00 0.00 0.00 0.00 55.73 55.40 1xnt s ARG 109 Cb 0.01 0.44 -0.05 0.00 0.00 0.00 0.00 34.95 35.35 1xnt s ARG 109 CO 0.15 -0.38 -0.07 -1.64 0.00 0.00 0.00 175.30 173.37 1xnt s MET 110 N -3.59 1.25 0.28 3.54 -1.94 -1.26 -1.59 119.30 115.99 1xnt s MET 110 Ca 0.02 -1.59 0.05 0.00 -1.71 0.00 0.00 55.69 52.46 1xnt s MET 110 Cb 0.02 -0.75 -0.06 0.00 2.01 0.00 0.00 34.83 36.05 1xnt s MET 110 CO -0.10 0.02 -0.02 -0.06 -0.01 0.00 0.00 175.02 174.85 1xnt s PHE 111 N -3.28 1.87 0.00 -0.03 0.40 0.89 -4.97 117.98 112.86 1xnt s PHE 111 Ca 0.23 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 1xnt s PHE 111 Cb 0.03 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.46 1xnt s PHE 111 CO 0.06 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.54 1xnt n GLY 112 N -0.57 5.36 0.18 4.36 0.00 -1.26 -1.14 105.19 112.12 1xnt n GLY 112 Ca -0.05 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 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 0.57 0.00 1.61 0.13 -1.32 -3.18 132.00 129.82 1xnt h PRO 113 Ca 0.00 -0.60 -0.05 0.00 -0.87 0.00 0.00 66.00 64.48 1xnt h PRO 113 Cb 0.00 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1xnt h PRO 113 CO 0.00 1.22 -0.22 0.22 -0.23 0.00 0.00 178.00 178.98 1xnt h ASP 114 N 0.33 0.00 -0.06 1.44 3.58 -1.97 -1.59 116.42 118.15 1xnt h ASP 114 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1xnt h ASP 114 Cb 1.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.67 1xnt h ASP 114 CO 0.18 0.22 0.00 0.29 -2.88 0.00 0.00 179.24 177.06 1xnt n LYS 115 N -4.02 1.65 -5.01 0.28 5.02 -1.21 -4.85 118.16 110.03 1xnt n LYS 115 Ca -0.02 -0.96 -0.27 0.00 -2.02 0.00 0.00 58.31 55.04 1xnt n LYS 115 Cb 0.30 -1.45 -0.16 0.00 -0.02 0.00 0.00 35.03 33.70 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1xnt s LEU 116 N -1.85 2.04 0.26 -0.35 0.05 -0.60 -4.12 118.68 114.11 1xnt s LEU 116 Ca 0.36 -0.37 -0.31 0.00 0.05 0.00 0.00 54.13 53.86 1xnt s LEU 116 Cb 0.20 -1.06 -0.12 0.00 -2.05 0.00 0.00 46.19 43.16 1xnt s LEU 116 CO 0.31 0.25 1.62 0.55 -0.55 0.00 0.00 176.35 178.53 1xnt n VAL 117 N 2.59 0.68 0.10 1.48 3.14 -0.39 -4.83 118.33 121.10 1xnt n VAL 117 Ca -0.15 -0.17 -0.04 0.00 -2.96 0.00 0.00 64.34 61.02 1xnt n VAL 117 Cb 0.53 -1.92 0.04 0.00 -1.06 0.00 0.00 33.84 31.43 1xnt n VAL 117 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1xnt h ARG 118 N 5.37 0.00 0.00 1.45 3.08 -1.93 0.66 114.38 123.02 1xnt h ARG 118 Ca -0.46 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1xnt h ARG 118 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1xnt h ARG 118 CO 0.84 0.79 -0.13 0.00 -1.07 0.00 0.00 179.97 180.40 1xnt h ALA 119 N 1.21 1.10 0.00 0.04 0.00 -2.00 -3.17 119.26 116.44 1xnt h ALA 119 Ca -0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1xnt h ALA 119 Cb 1.40 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1xnt h ALA 119 CO 0.10 0.17 -1.59 0.00 0.00 0.00 0.00 179.25 177.93 1xnt n ALA 120 N -2.21 2.07 -0.34 0.00 0.00 -1.15 -4.51 120.51 114.38 1xnt n ALA 120 Ca -0.01 -0.43 0.16 0.00 0.00 0.00 0.00 53.44 53.17 1xnt n ALA 120 Cb 0.32 0.32 0.36 0.00 0.00 0.00 0.00 19.45 20.45 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 -0.21 1.70 0.00 0.00 0.00 0.23 0.91 119.26 121.89 1xnt h ALA 121 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xnt h ALA 121 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xnt h ALA 121 CO -0.11 -0.26 0.00 -0.85 0.00 0.00 0.00 179.25 178.03 1xnt n GLU 122 N -4.91 0.62 -3.26 0.00 -0.00 -1.20 -1.27 120.64 110.62 1xnt n GLU 122 Ca 0.26 0.02 -0.38 0.00 -0.00 0.00 0.00 57.16 57.05 1xnt n GLU 122 Cb 0.71 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.59 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 -2.30 4.30 -0.33 3.44 1.02 0.31 -4.85 119.74 121.33 1xnt s LYS 123 Ca 0.34 0.60 -0.28 0.00 0.02 0.00 0.00 55.97 56.64 1xnt s LYS 123 Cb 0.19 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1xnt s LYS 123 CO 0.37 0.28 1.82 1.03 -0.92 0.00 0.00 175.35 177.94 1xnt s ARG 124 N 0.16 3.31 0.32 1.68 0.52 -1.26 -4.37 118.95 119.31 1xnt s ARG 124 Ca 0.29 1.44 0.08 0.00 -0.52 0.00 0.00 55.73 57.02 1xnt s ARG 124 Cb -0.17 -4.21 -0.04 0.00 0.52 0.00 0.00 34.95 31.06 1xnt s ARG 124 CO 0.14 -1.89 0.19 -1.58 0.02 0.00 0.00 175.30 172.18 1xnt s TRP 125 N 7.02 2.82 0.00 -0.53 0.52 0.26 -4.64 118.94 124.40 1xnt s TRP 125 Ca 0.81 -0.31 0.00 0.00 0.02 0.00 0.00 56.10 56.62 1xnt s TRP 125 Cb -0.23 -1.63 0.00 0.00 -1.15 0.00 0.00 33.47 30.46 1xnt s TRP 125 CO 0.33 0.33 0.49 -3.47 0.02 0.00 0.00 176.95 174.66 1xnt n ASP 126 N -1.21 0.54 -3.82 2.95 -0.08 -0.40 -0.41 116.55 114.12 1xnt n ASP 126 Ca -0.03 -1.22 -0.12 0.00 -1.51 0.00 0.00 54.79 51.91 1xnt n ASP 126 Cb 0.60 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.96 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1xnt s ARG 127 N -0.22 0.42 0.01 -0.67 0.52 0.58 -0.29 118.95 119.30 1xnt s ARG 127 Ca 0.00 -0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 1xnt s ARG 127 Cb 0.00 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.64 1xnt s ARG 127 CO 0.00 -0.09 -0.10 0.54 0.02 0.00 0.00 175.30 175.67 1xnt s VAL 128 N -0.77 0.78 -0.30 3.52 0.11 -0.13 -1.73 120.40 121.89 1xnt s VAL 128 Ca -0.09 -0.60 -0.09 0.00 -2.93 0.00 0.00 61.98 58.27 1xnt s VAL 128 Cb -0.05 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1xnt s VAL 128 CO 0.01 0.09 0.13 -0.75 -3.33 0.00 0.00 175.10 171.25 1xnt s LYS 129 N -0.58 3.35 -0.24 1.54 2.20 -0.39 -0.24 119.74 125.38 1xnt s LYS 129 Ca 0.01 -0.70 -0.06 0.00 -0.36 0.00 0.00 55.97 54.86 1xnt s LYS 129 Cb -0.05 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1xnt s LYS 129 CO 0.00 -0.39 0.04 0.42 -0.36 0.00 0.00 175.35 175.06 1xnt s ILE 130 N 1.60 4.00 -0.13 5.43 -1.09 -0.35 -0.68 121.20 129.98 1xnt s ILE 130 Ca 0.05 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1xnt s ILE 130 Cb -0.17 -2.88 0.02 0.00 -1.58 0.00 0.00 42.46 37.85 1xnt s ILE 130 CO 0.05 0.34 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.26 1xnt s VAL 131 N 1.56 1.55 -0.03 2.92 1.01 -0.58 0.48 120.40 127.32 1xnt s VAL 131 Ca 0.06 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1xnt s VAL 131 Cb -0.15 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1xnt s VAL 131 CO 0.01 0.45 0.27 0.00 0.00 0.00 0.00 175.10 175.83 1xnt s SER 133 N -1.40 0.63 0.00 0.00 0.15 0.27 -1.09 113.70 112.26 1xnt s SER 133 Ca 0.24 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1xnt s SER 133 Cb -0.14 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1xnt s SER 133 CO 0.12 -0.21 0.00 1.67 1.20 0.00 0.00 173.24 176.02 1xnt n GLN 134 N 4.94 0.00 -2.55 5.44 -0.06 -0.45 -0.93 117.38 123.77 1xnt n GLN 134 Ca -0.12 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.46 1xnt n GLN 134 Cb 0.50 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.66 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1xnt s PRO 135 N -0.52 3.41 0.00 3.69 0.04 -1.19 -4.32 135.00 136.10 1xnt s PRO 135 Ca 0.00 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1xnt s PRO 135 Cb 0.00 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1xnt s PRO 135 CO 0.00 -1.83 0.00 2.48 0.04 0.00 0.00 177.00 177.69 1xnt n TYR 136 N 8.81 0.00 -3.71 0.56 0.18 -1.22 -4.72 117.16 117.07 1xnt n TYR 136 Ca 0.08 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.72 1xnt n TYR 136 Cb 0.49 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.31 1xnt n TYR 136 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xnt s SER 137 N -0.42 0.03 -0.07 9.48 0.15 -1.26 -4.80 113.70 116.81 1xnt s SER 137 Ca 0.00 0.48 0.09 0.00 0.70 0.00 0.00 55.95 57.23 1xnt s SER 137 Cb 0.00 0.43 -0.13 0.00 -1.71 0.00 0.00 66.02 64.60 1xnt s SER 137 CO 0.00 -0.19 0.10 2.29 1.20 0.00 0.00 173.24 176.64 1xnt n LYS 138 N 4.63 1.69 -0.09 5.44 2.85 -1.26 0.12 118.16 131.55 1xnt n LYS 138 Ca -0.18 -0.04 -0.22 0.00 -1.05 0.00 0.00 58.31 56.82 1xnt n LYS 138 Cb 0.52 -1.25 -0.12 0.00 -0.65 0.00 0.00 35.03 33.53 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1xnt n ASP 139 N -2.19 2.00 -4.65 -5.58 5.75 -1.26 -3.26 116.55 107.35 1xnt n ASP 139 Ca -0.11 0.15 -0.32 0.00 -0.01 0.00 0.00 54.79 54.50 1xnt n ASP 139 Cb 0.63 -0.72 -0.09 0.00 -1.03 0.00 0.00 41.12 39.91 1xnt n ASP 139 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1xnt s SER 140 N -6.93 4.93 0.60 -1.12 1.04 -1.26 -4.74 113.70 106.23 1xnt s SER 140 Ca -0.31 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 1xnt s SER 140 Cb 0.09 -1.22 0.02 0.00 0.10 0.00 0.00 66.02 65.01 1xnt s SER 140 CO 0.62 0.26 0.90 -2.16 0.98 0.00 0.00 173.24 173.84 1xnt s PRO 141 N -1.68 2.75 0.00 4.02 0.04 -1.26 -4.45 135.00 134.42 1xnt s PRO 141 Ca 0.20 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1xnt s PRO 141 Cb -0.11 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1xnt s PRO 141 CO 0.11 -0.78 0.00 1.19 0.04 0.00 0.00 177.00 177.56 1xnt n PHE 142 N -2.60 -0.09 0.00 0.56 3.72 -1.26 -4.81 117.46 112.97 1xnt n PHE 142 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1xnt n PHE 142 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.24 3.56 1.37 0.00 -1.20 -1.25 105.19 106.43 1xnt n GLY 143 Ca 0.00 0.51 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 1xnt n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnt s LEU 144 N 0.00 2.91 0.03 0.99 1.02 -1.21 -1.12 118.68 121.30 1xnt s LEU 144 Ca 0.00 -0.65 0.15 0.00 0.02 0.00 0.00 54.13 53.65 1xnt s LEU 144 Cb 0.00 -1.57 -0.17 0.00 0.02 0.00 0.00 46.19 44.47 1xnt s LEU 144 CO 0.00 0.09 0.80 0.28 0.02 0.00 0.00 176.35 177.54 1xnt h SER 145 N 2.78 0.00 -4.51 2.29 0.02 -1.49 -0.81 113.55 111.82 1xnt h SER 145 Ca -0.46 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 60.81 1xnt h SER 145 Cb 1.21 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.57 1xnt h SER 145 CO 0.55 0.75 0.93 0.72 -1.14 0.00 0.00 176.83 178.63 1xnt s PHE 146 N -2.79 -0.04 0.00 3.45 -0.12 -1.24 -4.59 117.98 112.65 1xnt s PHE 146 Ca -0.03 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.87 1xnt s PHE 146 Cb 0.08 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 42.98 1xnt s PHE 146 CO 0.81 -0.09 -0.02 0.14 -0.05 0.00 0.00 175.22 176.01 1xnt s VAL 147 N -2.17 0.15 0.09 -2.49 -7.23 -1.26 -1.67 120.40 105.83 1xnt s VAL 147 Ca 0.12 -0.19 -0.07 0.00 -1.81 0.00 0.00 61.98 60.02 1xnt s VAL 147 Cb 0.01 -0.16 -0.01 0.00 0.56 0.00 0.00 36.38 36.78 1xnt s VAL 147 CO -0.04 -0.02 0.16 -0.13 -0.31 0.00 0.00 175.10 174.76 1xnt s ARG 148 N -0.23 0.84 0.05 4.82 0.52 0.30 -4.92 118.95 120.32 1xnt s ARG 148 Ca -0.01 -1.03 -0.03 0.00 -0.52 0.00 0.00 55.73 54.13 1xnt s ARG 148 Cb -0.02 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.75 1xnt s ARG 148 CO -0.00 -0.26 0.04 -0.06 0.02 0.00 0.00 175.30 175.04 1xnt s PHE 149 N -3.88 0.32 -0.23 -0.53 0.08 -1.19 -1.14 117.98 111.41 1xnt s PHE 149 Ca 0.07 -0.74 -0.19 0.00 0.12 0.00 0.00 56.93 56.20 1xnt s PHE 149 Cb 0.05 -0.23 0.06 0.00 -0.57 0.00 0.00 43.02 42.33 1xnt s PHE 149 CO -0.10 -0.37 0.61 -3.38 -0.10 0.00 0.00 175.22 171.88 1xnt s HIS 150 N -3.13 -0.75 -2.61 0.36 -3.43 0.00 -0.99 115.29 104.75 1xnt s HIS 150 Ca -0.00 1.71 0.27 0.00 -0.80 0.00 0.00 55.06 56.23 1xnt s HIS 150 Cb 0.02 0.32 0.86 0.00 -1.43 0.00 0.00 32.58 32.36 1xnt s HIS 150 CO -0.07 -0.37 1.64 -1.13 -2.00 0.00 0.00 174.74 172.81