#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt n PRO 2 N 0.00 2.01 -1.78 3.17 -0.04 -1.26 -4.92 135.00 132.17 1xnt n PRO 2 Ca 0.00 -1.13 -0.30 0.00 -0.04 0.00 0.00 63.50 62.03 1xnt n PRO 2 Cb 0.00 -1.45 0.07 0.00 -0.04 0.00 0.00 33.50 32.09 1xnt n PRO 2 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1xnt s GLU 3 N -1.64 2.40 0.30 0.54 2.12 -1.26 -4.12 118.70 117.04 1xnt s GLU 3 Ca 0.20 0.43 -0.27 0.00 0.36 0.00 0.00 54.97 55.69 1xnt s GLU 3 Cb 0.13 -1.97 -0.10 0.00 0.26 0.00 0.00 34.13 32.45 1xnt s GLU 3 CO 0.11 -1.35 0.95 0.42 -0.54 0.00 0.00 175.26 174.85 1xnt s ILE 4 N -3.35 4.12 -0.11 -3.70 -1.09 -1.09 -4.80 121.20 111.17 1xnt s ILE 4 Ca 0.60 1.86 0.02 0.00 -2.23 0.00 0.00 60.65 60.90 1xnt s ILE 4 Cb -0.12 -4.07 0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1xnt s ILE 4 CO 0.52 0.24 -0.18 -0.60 -1.23 0.00 0.00 174.94 173.69 1xnt s ARG 5 N -1.83 2.51 0.31 2.79 6.06 -1.26 -4.63 118.95 122.91 1xnt s ARG 5 Ca 0.48 -0.67 -0.19 0.00 -2.50 0.00 0.00 55.73 52.84 1xnt s ARG 5 Cb -0.21 -2.07 -0.09 0.00 0.06 0.00 0.00 34.95 32.64 1xnt s ARG 5 CO 0.27 -0.02 0.80 -0.51 -2.50 0.00 0.00 175.30 173.34 1xnt s LEU 6 N 0.85 4.17 -0.12 -0.88 1.02 -1.26 0.10 118.68 122.56 1xnt s LEU 6 Ca -0.09 1.48 -0.13 0.00 0.02 0.00 0.00 54.13 55.42 1xnt s LEU 6 Cb -0.15 -4.00 -0.05 0.00 0.02 0.00 0.00 46.19 42.01 1xnt s LEU 6 CO -0.00 -0.14 -0.26 -1.14 0.02 0.00 0.00 176.35 174.83 1xnt n ARG 7 N 0.06 0.40 -3.82 1.70 0.63 -0.55 -4.51 116.66 110.57 1xnt n ARG 7 Ca 0.02 0.16 -0.08 0.00 -0.92 0.00 0.00 57.85 57.03 1xnt n ARG 7 Cb 0.52 -1.19 0.02 0.00 0.45 0.00 0.00 32.46 32.26 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 -2.63 0.09 -0.98 -0.14 -3.43 -1.26 -4.99 115.29 101.94 1xnt s HIS 8 Ca -0.22 -0.72 -0.20 0.00 -0.80 0.00 0.00 55.06 53.11 1xnt s HIS 8 Cb 0.04 0.82 0.10 0.00 -1.43 0.00 0.00 32.58 32.10 1xnt s HIS 8 CO 0.32 -1.48 1.28 0.54 -2.00 0.00 0.00 174.74 173.41 1xnt s VAL 9 N -2.41 4.39 0.11 -5.38 0.11 -1.26 0.29 120.40 116.26 1xnt s VAL 9 Ca 0.16 -1.29 -0.32 0.00 -2.93 0.00 0.00 61.98 57.60 1xnt s VAL 9 Cb -0.05 -4.91 -0.11 0.00 -1.53 0.00 0.00 36.38 29.79 1xnt s VAL 9 CO 0.10 -1.70 1.57 1.62 -3.33 0.00 0.00 175.10 173.37 1xnt h VAL 10 N 6.18 0.09 -2.62 2.04 3.04 -1.63 -3.44 116.25 119.93 1xnt h VAL 10 Ca 0.19 0.00 -0.50 0.00 -1.01 0.00 0.00 66.70 65.37 1xnt h VAL 10 Cb 1.01 0.09 -0.14 0.00 -2.01 0.00 0.00 31.29 30.24 1xnt h VAL 10 CO 1.25 0.00 -0.70 -0.44 -1.01 0.00 0.00 177.57 176.67 1xnt s SER 11 N -4.73 2.87 -0.18 3.17 0.01 -0.39 -5.02 113.70 109.42 1xnt s SER 11 Ca -0.16 -1.12 -0.27 0.00 1.31 0.00 0.00 55.95 55.70 1xnt s SER 11 Cb 0.07 -0.19 0.07 0.00 0.21 0.00 0.00 66.02 66.19 1xnt s SER 11 CO 0.63 -0.24 0.72 0.00 0.41 0.00 0.00 173.24 174.76 1xnt n SER 13 N 1.95 -0.49 0.00 0.00 7.64 0.33 -4.91 113.62 118.15 1xnt n SER 13 Ca -0.16 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.53 1xnt n SER 13 Cb 0.56 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1xnt n SER 13 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xnt n SER 14 N 0.21 0.00 -4.22 6.43 3.41 -1.25 -2.17 113.62 116.04 1xnt n SER 14 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.49 1xnt n SER 14 Cb 0.71 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.50 1xnt n SER 14 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xnt s GLN 15 N 0.00 1.60 0.00 4.33 -1.52 -1.26 -4.03 119.66 118.78 1xnt s GLN 15 Ca 0.00 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 1xnt s GLN 15 Cb 0.00 -1.57 0.00 0.00 -0.22 0.00 0.00 33.01 31.22 1xnt s GLN 15 CO 0.00 0.43 0.00 -3.47 -0.25 0.00 0.00 175.29 172.00 1xnt n ASP 16 N 2.49 0.00 -0.05 5.90 -0.08 -1.03 -3.76 116.55 120.02 1xnt n ASP 16 Ca -0.15 -0.28 -0.05 0.00 -1.51 0.00 0.00 54.79 52.79 1xnt n ASP 16 Cb 0.53 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.97 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1xnt n SER 17 N -0.85 1.11 0.27 1.67 7.64 -1.26 -4.19 113.62 118.01 1xnt n SER 17 Ca 0.00 0.22 -0.13 0.00 1.01 0.00 0.00 58.87 59.97 1xnt n SER 17 Cb 0.00 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 62.49 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xnt h THR 18 N -0.58 0.19 -1.77 0.44 1.35 -1.97 -3.30 112.91 107.27 1xnt h THR 18 Ca 0.00 -0.44 -0.77 0.00 -0.55 0.00 0.00 66.41 64.65 1xnt h THR 18 Cb 0.55 0.28 -0.19 0.00 -1.73 0.00 0.00 68.15 67.06 1xnt h THR 18 CO 0.00 0.03 1.73 1.41 -0.25 0.00 0.00 175.52 178.44 1xnt n HIS 19 N -5.28 2.68 -2.58 4.73 8.25 -1.26 -4.93 115.22 116.83 1xnt n HIS 19 Ca -0.10 -2.72 -0.25 0.00 -0.26 0.00 0.00 57.72 54.38 1xnt n HIS 19 Cb 0.32 -1.71 0.03 0.00 1.12 0.00 0.00 29.99 29.74 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 0.00 1.40 0.00 0.00 0.00 -1.86 -1.11 119.26 117.69 1xnt h ALA 21 Ca -0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1xnt h ALA 21 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xnt h ALA 21 CO 0.59 -0.01 -0.03 1.49 0.00 0.00 0.00 179.25 181.29 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.92 -0.79 114.58 116.67 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 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1xnt h GLU 22 CO -0.00 0.03 0.00 -0.91 -0.73 0.00 0.00 179.01 177.40 1xnt h ASN 23 N 0.00 0.00 0.38 1.04 2.35 -1.47 -1.24 115.58 116.64 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 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1xnt h ASN 23 CO 0.00 0.00 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.56 1xnt h LEU 24 N 0.00 0.00 -2.83 1.61 3.38 -1.33 -0.73 115.31 115.42 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 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xnt h LEU 24 CO 0.00 0.15 -0.00 -0.07 0.09 0.00 0.00 178.44 178.61 1xnt h LEU 25 N 0.00 0.00 -6.00 1.67 -0.00 -1.40 -2.87 115.31 106.71 1xnt h LEU 25 Ca -0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.22 1xnt h LEU 25 Cb 0.38 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 40.66 1xnt h LEU 25 CO 0.02 0.00 -0.20 0.29 -0.00 0.00 0.00 178.44 178.55 1xnt n LYS 26 N -3.27 3.43 0.16 1.13 4.01 -0.28 -4.86 118.16 118.48 1xnt n LYS 26 Ca -0.03 -4.72 0.19 0.00 -0.51 0.00 0.00 58.31 53.23 1xnt n LYS 26 Cb 0.08 -2.32 0.77 0.00 -0.51 0.00 0.00 35.03 33.05 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xnt h ALA 27 N 3.96 1.90 -2.98 7.82 0.00 -1.67 -3.13 119.26 125.16 1xnt h ALA 27 Ca 0.22 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.47 1xnt h ALA 27 Cb 0.56 0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.97 1xnt h ALA 27 CO 0.95 -0.55 -0.38 -3.47 0.00 0.00 0.00 179.25 175.80 1xnt n ASP 28 N -3.51 3.51 0.00 0.00 2.03 -1.26 -4.87 116.55 112.44 1xnt n ASP 28 Ca 0.05 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1xnt n ASP 28 Cb 0.54 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xnt n THR 29 N 2.07 0.00 -1.82 5.18 -2.24 -1.18 -5.07 114.28 111.22 1xnt n THR 29 Ca 0.21 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.98 1xnt n THR 29 Cb 0.36 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.06 -3.78 4.78 4.11 -1.26 -5.15 117.16 115.80 1xnt n TYR 30 Ca 0.00 -0.08 -0.13 0.00 -0.00 0.00 0.00 57.90 57.69 1xnt n TYR 30 Cb 0.00 0.38 -0.11 0.00 -0.00 0.00 0.00 39.34 39.60 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 0.00 0.32 0.00 -3.48 0.52 -1.26 -5.15 118.95 109.90 1xnt s ARG 31 Ca 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 1xnt s ARG 31 Cb 0.01 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.64 1xnt s ARG 31 CO -0.00 -0.04 0.00 1.63 0.02 0.00 0.00 175.30 176.90 1xnt n LYS 32 N 2.85 2.58 -3.69 3.54 4.01 -1.26 -4.61 118.16 121.58 1xnt n LYS 32 Ca -0.13 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.30 1xnt n LYS 32 Cb 0.58 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 35.04 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -1.11 0.00 0.00 177.40 175.83 1xnt s TRP 33 N 0.25 3.57 -0.07 2.13 -0.00 -0.61 -4.32 118.94 119.88 1xnt s TRP 33 Ca 0.00 0.62 -0.03 0.00 -0.00 0.00 0.00 56.10 56.69 1xnt s TRP 33 Cb 0.00 -2.15 0.04 0.00 -0.00 0.00 0.00 33.47 31.37 1xnt s TRP 33 CO 0.00 0.53 0.14 0.50 -0.00 0.00 0.00 176.95 178.12 1xnt s ARG 34 N -0.48 0.01 0.77 5.86 3.00 -0.91 -3.10 118.95 124.09 1xnt s ARG 34 Ca 0.16 0.51 -0.15 0.00 -1.00 0.00 0.00 55.73 55.25 1xnt s ARG 34 Cb -0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 34.95 34.49 1xnt s ARG 34 CO 0.05 -0.31 0.68 0.00 0.00 0.00 0.00 175.30 175.73 1xnt n ALA 35 N 5.26 -1.23 0.17 6.12 0.00 0.04 -2.46 120.51 128.41 1xnt n ALA 35 Ca -0.05 -0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.15 1xnt n ALA 35 Cb 0.50 -1.95 0.11 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.58 0.79 -3.00 0.00 0.00 -1.70 -3.38 119.26 111.38 1xnt h ALA 36 Ca -0.46 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1xnt h ALA 36 Cb 1.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xnt h ALA 36 CO 0.43 0.45 0.00 1.17 0.00 0.00 0.00 179.25 181.29 1xnt n LYS 37 N -3.22 2.25 -4.05 0.00 3.00 -1.26 -4.89 118.16 110.00 1xnt n LYS 37 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.22 1xnt n LYS 37 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.63 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xnt s ALA 38 N -2.96 0.24 0.00 3.14 0.00 -1.26 -4.20 121.76 116.72 1xnt s ALA 38 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1xnt s ALA 38 Cb 0.00 1.13 0.00 0.00 0.00 0.00 0.00 23.12 24.25 1xnt s ALA 38 CO 0.00 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1xnt n GLY 39 N -0.42 2.43 2.18 0.00 0.00 0.28 -4.70 105.19 104.95 1xnt n GLY 39 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 -5.61 0.00 1.61 4.71 -1.11 -2.89 120.64 115.35 1xnt n GLU 40 Ca 0.00 3.97 0.00 0.00 -0.01 0.00 0.00 57.16 61.12 1xnt n GLU 40 Cb 0.00 -4.45 0.00 0.00 -1.01 0.00 0.00 31.44 25.98 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1xnt n LYS 41 N 1.96 0.00 -3.62 3.49 4.81 -1.26 -3.79 118.16 119.74 1xnt n LYS 41 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1xnt n LYS 41 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1xnt s THR 42 N -0.81 0.00 -0.05 3.15 -4.23 -1.26 -1.53 115.64 110.91 1xnt s THR 42 Ca 0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 1xnt s THR 42 Cb 0.00 -0.90 0.01 0.00 1.34 0.00 0.00 72.50 72.95 1xnt s THR 42 CO 0.00 -0.02 0.13 0.27 -0.54 0.00 0.00 174.62 174.46 1xnt s ILE 43 N -0.21 -0.00 -0.18 2.99 -4.36 -0.54 -4.99 121.20 113.90 1xnt s ILE 43 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 1xnt s ILE 43 Cb -0.03 -0.19 0.04 0.00 1.25 0.00 0.00 42.46 43.53 1xnt s ILE 43 CO 0.04 0.00 -0.08 -0.44 0.24 0.00 0.00 174.94 174.70 1xnt s SER 44 N 0.08 3.11 -0.15 4.36 0.01 -0.92 -0.16 113.70 120.04 1xnt s SER 44 Ca -0.00 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1xnt s SER 44 Cb -0.01 -1.08 -0.00 0.00 0.21 0.00 0.00 66.02 65.14 1xnt s SER 44 CO 0.00 -0.16 -0.16 0.54 0.41 0.00 0.00 173.24 173.87 1xnt s VAL 45 N 1.51 2.66 -0.33 3.43 0.11 0.10 0.12 120.40 128.00 1xnt s VAL 45 Ca -0.00 -0.78 -0.10 0.00 -2.93 0.00 0.00 61.98 58.17 1xnt s VAL 45 Cb -0.16 -2.11 0.01 0.00 -1.53 0.00 0.00 36.38 32.59 1xnt s VAL 45 CO -0.08 0.52 0.16 -0.69 -3.33 0.00 0.00 175.10 171.68 1xnt s VAL 46 N 0.70 4.53 0.45 2.04 1.01 0.65 -0.20 120.40 129.59 1xnt s VAL 46 Ca -0.07 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1xnt s VAL 46 Cb -0.16 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1xnt s VAL 46 CO 0.02 -0.03 0.63 -0.76 0.00 0.00 0.00 175.10 174.95 1xnt s LEU 47 N 1.58 3.56 0.17 3.92 1.02 0.60 -1.26 118.68 128.27 1xnt s LEU 47 Ca 0.03 -0.24 0.09 0.00 0.02 0.00 0.00 54.13 54.03 1xnt s LEU 47 Cb -0.18 -2.75 -0.04 0.00 0.02 0.00 0.00 46.19 43.24 1xnt s LEU 47 CO 0.06 -0.85 -0.11 -1.58 0.02 0.00 0.00 176.35 173.89 1xnt s GLN 48 N -4.47 2.02 -0.16 1.70 2.00 0.14 -1.43 119.66 119.47 1xnt s GLN 48 Ca 0.55 -1.25 -0.06 0.00 -2.00 0.00 0.00 55.36 52.59 1xnt s GLN 48 Cb -0.10 -2.15 -0.04 0.00 0.80 0.00 0.00 33.01 31.52 1xnt s GLN 48 CO 0.35 0.44 0.04 -0.51 -0.50 0.00 0.00 175.29 175.11 1xnt s LEU 49 N -2.72 3.72 -0.07 3.68 2.01 -0.27 -1.48 118.68 123.55 1xnt s LEU 49 Ca 0.24 0.08 -0.02 0.00 0.01 0.00 0.00 54.13 54.44 1xnt s LEU 49 Cb -0.09 -1.92 -0.04 0.00 0.01 0.00 0.00 46.19 44.16 1xnt s LEU 49 CO 0.14 0.22 2.46 1.21 1.01 0.00 0.00 176.35 181.39 1xnt n GLU 50 N 3.24 1.45 0.00 1.70 2.13 0.28 -4.62 120.64 124.82 1xnt n GLU 50 Ca -0.17 -0.61 0.00 0.00 0.66 0.00 0.00 57.16 57.04 1xnt n GLU 50 Cb 0.53 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.83 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 1.56 0.00 -1.73 5.31 2.85 -1.26 -4.92 118.16 119.96 1xnt n LYS 51 Ca 0.18 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.04 1xnt n LYS 51 Cb 0.62 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.97 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 2.70 0.36 -1.58 2.12 -1.26 -4.74 118.70 116.31 1xnt s GLU 52 Ca 0.00 1.45 0.05 0.00 0.36 0.00 0.00 54.97 56.83 1xnt s GLU 52 Cb 0.00 -4.42 -0.03 0.00 0.26 0.00 0.00 34.13 29.94 1xnt s GLU 52 CO 0.00 -2.60 0.21 -1.83 -0.54 0.00 0.00 175.26 170.50 1xnt s GLU 53 N 7.04 1.82 0.72 4.30 1.03 0.33 -4.69 118.70 129.25 1xnt s GLU 53 Ca 0.90 -2.08 -0.00 0.00 0.03 0.00 0.00 54.97 53.82 1xnt s GLU 53 Cb -0.22 -0.10 0.13 0.00 -0.80 0.00 0.00 34.13 33.15 1xnt s GLU 53 CO 0.29 -0.57 0.99 -0.65 -1.33 0.00 0.00 175.26 174.00 1xnt s GLN 54 N -3.59 1.67 -0.02 -4.83 -0.21 -1.26 0.38 119.66 111.80 1xnt s GLN 54 Ca 0.33 -1.15 -0.00 0.00 0.02 0.00 0.00 55.36 54.55 1xnt s GLN 54 Cb 0.02 -2.34 0.02 0.00 1.00 0.00 0.00 33.01 31.72 1xnt s GLN 54 CO 0.21 -1.45 0.03 0.42 -2.12 0.00 0.00 175.29 172.39 1xnt s ILE 55 N -3.13 -0.05 0.00 1.08 1.09 -0.07 -4.55 121.20 115.57 1xnt s ILE 55 Ca 0.66 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 60.39 1xnt s ILE 55 Cb -0.05 -0.08 0.00 0.00 -1.06 0.00 0.00 42.46 41.27 1xnt s ILE 55 CO 0.44 0.07 0.00 1.57 -0.10 0.00 0.00 174.94 176.92 1xnt n HIS 56 N 3.97 0.00 -4.04 3.97 -0.00 -1.20 -4.36 115.22 113.55 1xnt n HIS 56 Ca -0.25 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 57.85 1xnt n HIS 56 Cb 0.52 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.30 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 -3.02 0.35 0.14 0.26 0.01 -0.21 -2.43 113.70 108.81 1xnt s SER 57 Ca 0.00 -0.96 -0.08 0.00 1.31 0.00 0.00 55.95 56.22 1xnt s SER 57 Cb 0.00 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 1xnt s SER 57 CO 0.00 -0.67 0.24 -0.69 0.41 0.00 0.00 173.24 172.53 1xnt s VAL 58 N -3.94 0.09 -0.01 3.43 1.01 -0.46 -1.28 120.40 119.23 1xnt s VAL 58 Ca 0.11 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1xnt s VAL 58 Cb 0.07 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1xnt s VAL 58 CO -0.07 -0.39 0.01 -1.81 0.00 0.00 0.00 175.10 172.83 1xnt s ASP 59 N -2.95 0.15 -0.14 3.32 1.11 0.18 -0.00 116.67 118.34 1xnt s ASP 59 Ca 0.15 0.00 -0.05 0.00 0.18 0.00 0.00 52.55 52.84 1xnt s ASP 59 Cb 0.04 -0.07 0.07 0.00 1.07 0.00 0.00 42.92 44.03 1xnt s ASP 59 CO -0.02 -0.06 0.26 -0.63 1.18 0.00 0.00 175.17 175.90 1xnt s ILE 60 N 0.54 -0.41 -0.73 0.77 1.09 -0.41 0.39 121.20 122.44 1xnt s ILE 60 Ca -0.05 0.24 -0.26 0.00 -1.10 0.00 0.00 60.65 59.49 1xnt s ILE 60 Cb -0.07 -0.46 0.04 0.00 -1.06 0.00 0.00 42.46 40.91 1xnt s ILE 60 CO -0.01 0.09 1.21 -0.83 -0.10 0.00 0.00 174.94 175.30 1xnt s GLY 61 N 2.41 1.00 0.13 6.18 0.00 -0.43 -0.96 107.32 115.65 1xnt s GLY 61 Ca 0.02 -1.50 -0.31 0.00 0.00 0.00 0.00 44.72 42.93 1xnt s GLY 61 CO -0.09 2.52 1.84 -2.01 0.00 0.00 0.00 173.10 175.36 1xnt n ASN 62 N 8.98 4.08 -2.16 1.64 2.85 0.11 0.36 115.26 131.11 1xnt n ASN 62 Ca 0.02 0.99 -0.29 0.00 -0.11 0.00 0.00 54.58 55.18 1xnt n ASN 62 Cb 0.48 -1.55 0.07 0.00 1.24 0.00 0.00 39.78 40.02 1xnt n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1xnt n ASP 63 N 5.66 6.35 0.00 1.20 2.03 -0.58 -1.13 116.55 130.07 1xnt n ASP 63 Ca 0.18 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.72 1xnt n ASP 63 Cb 0.38 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xnt n GLY 64 N -0.87 1.72 3.99 0.27 0.00 -0.94 -4.40 105.19 104.96 1xnt n GLY 64 Ca 0.55 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.38 1xnt n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 65 N -2.00 5.33 0.00 1.61 0.01 -1.26 -4.87 113.70 112.52 1xnt s SER 65 Ca 0.00 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1xnt s SER 65 Cb 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1xnt s SER 65 CO 0.00 -0.94 0.00 0.00 0.41 0.00 0.00 173.24 172.71 1xnt n ALA 66 N -1.92 2.76 -3.22 1.44 0.00 -1.25 -3.77 120.51 114.57 1xnt n ALA 66 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 1xnt n ALA 66 Cb 0.61 0.28 -0.13 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.90 3.04 -0.23 0.00 0.08 0.14 0.55 117.98 119.66 1xnt s PHE 67 Ca 0.00 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.46 1xnt s PHE 67 Cb 0.00 -2.17 0.06 0.00 -0.57 0.00 0.00 43.02 40.33 1xnt s PHE 67 CO 0.00 -0.41 -0.08 0.08 -0.10 0.00 0.00 175.22 174.71 1xnt s VAL 68 N 1.49 1.75 -0.02 -0.44 1.01 -0.57 0.86 120.40 124.49 1xnt s VAL 68 Ca 0.06 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.75 1xnt s VAL 68 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1xnt s VAL 68 CO 0.01 -0.02 -0.00 -0.70 0.00 0.00 0.00 175.10 174.39 1xnt s GLU 69 N 1.31 2.82 -0.05 2.72 2.12 -0.44 0.38 118.70 127.54 1xnt s GLU 69 Ca -0.06 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.72 1xnt s GLU 69 Cb -0.19 -2.69 0.02 0.00 0.26 0.00 0.00 34.13 31.54 1xnt s GLU 69 CO -0.06 0.64 -0.08 0.08 -0.54 0.00 0.00 175.26 175.30 1xnt s VAL 70 N -1.03 0.78 0.28 3.70 1.01 -0.62 -1.49 120.40 123.02 1xnt s VAL 70 Ca 0.18 -0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.01 1xnt s VAL 70 Cb -0.11 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1xnt s VAL 70 CO 0.08 0.28 -0.13 -0.76 0.00 0.00 0.00 175.10 174.58 1xnt s LEU 71 N 0.83 2.81 0.41 3.92 1.02 -0.38 -1.68 118.68 125.61 1xnt s LEU 71 Ca -0.12 -0.90 0.05 0.00 0.02 0.00 0.00 54.13 53.18 1xnt s LEU 71 Cb -0.15 -1.32 -0.06 0.00 0.02 0.00 0.00 46.19 44.69 1xnt s LEU 71 CO 0.01 0.02 0.04 0.68 0.02 0.00 0.00 176.35 177.12 1xnt s VAL 72 N -2.45 1.44 0.00 -1.59 -7.23 -0.44 -1.44 120.40 108.69 1xnt s VAL 72 Ca 0.31 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1xnt s VAL 72 Cb -0.05 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.19 1xnt s VAL 72 CO 0.17 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1xnt n GLY 73 N -0.94 1.51 3.65 2.32 0.00 -1.08 -0.60 105.19 110.05 1xnt n GLY 73 Ca -0.07 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 4.51 0.00 1.61 0.15 -1.26 -1.04 113.70 117.67 1xnt s SER 74 Ca 0.00 -0.69 0.08 0.00 0.70 0.00 0.00 55.95 56.04 1xnt s SER 74 Cb 0.00 -0.80 0.38 0.00 -1.71 0.00 0.00 66.02 63.88 1xnt s SER 74 CO 0.00 -0.04 1.25 -1.20 1.20 0.00 0.00 173.24 174.46 1xnt n SER 75 N -0.92 0.35 -0.06 5.45 7.64 -1.26 -4.18 113.62 120.65 1xnt n SER 75 Ca -0.06 -1.83 0.25 0.00 1.01 0.00 0.00 58.87 58.24 1xnt n SER 75 Cb 0.59 -0.04 0.68 0.00 -1.01 0.00 0.00 64.21 64.43 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt h ALA 76 N 3.30 2.52 -0.02 -0.43 0.00 -1.98 -3.32 119.26 119.33 1xnt h ALA 76 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1xnt h ALA 76 Cb 0.09 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 1xnt h ALA 76 CO 0.00 -1.07 -0.16 0.41 0.00 0.00 0.00 179.25 178.42 1xnt n GLY 77 N -1.60 -1.29 2.70 0.00 0.00 -1.26 -5.04 105.19 98.70 1xnt n GLY 77 Ca 0.15 0.79 -0.35 0.00 0.00 0.00 0.00 46.02 46.61 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 1.61 3.46 0.04 -0.02 0.00 -1.25 -4.27 105.19 104.76 1xnt n GLY 78 Ca 0.04 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt h ALA 79 N 6.39 0.00 -2.93 4.61 0.00 -1.95 -3.44 119.26 121.93 1xnt h ALA 79 Ca 0.57 -0.35 -0.64 0.00 0.00 0.00 0.00 54.91 54.49 1xnt h ALA 79 Cb 0.40 0.28 -0.40 0.00 0.00 0.00 0.00 17.79 18.07 1xnt h ALA 79 CO 1.73 0.28 -0.43 0.41 0.00 0.00 0.00 179.25 181.24 1xnt n GLY 80 N 1.70 4.14 2.64 0.00 0.00 -1.26 -4.74 105.19 107.66 1xnt n GLY 80 Ca -0.04 -2.61 -0.15 0.00 0.00 0.00 0.00 46.02 43.22 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 1.94 -1.46 -2.27 1.61 4.71 -1.26 -3.27 120.64 120.64 1xnt n GLU 81 Ca 0.21 1.03 0.00 0.00 -0.01 0.00 0.00 57.16 58.39 1xnt n GLU 81 Cb 0.36 -5.37 0.00 0.00 -1.01 0.00 0.00 31.44 25.42 1xnt n GLU 81 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1xnt n GLN 82 N -1.76 -2.74 -4.25 3.49 0.00 -1.26 -1.82 117.38 109.03 1xnt n GLN 82 Ca -0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.54 1xnt n GLN 82 Cb 0.60 -4.12 -0.08 0.00 0.00 0.00 0.00 30.24 26.64 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1xnt n ASP 83 N -1.26 0.27 -4.27 1.69 2.03 -1.20 -4.78 116.55 109.02 1xnt n ASP 83 Ca 0.00 -1.20 -0.34 0.00 0.52 0.00 0.00 54.79 53.77 1xnt n ASP 83 Cb 0.44 -1.97 0.09 0.00 -0.72 0.00 0.00 41.12 38.96 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xnt n TYR 84 N -4.49 -2.71 -4.40 -0.67 4.02 -0.76 -4.97 117.16 103.19 1xnt n TYR 84 Ca -0.27 0.14 -0.34 0.00 -0.01 0.00 0.00 57.90 57.42 1xnt n TYR 84 Cb 0.67 -1.66 -0.12 0.00 -0.02 0.00 0.00 39.34 38.21 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 -3.09 3.56 -0.92 -0.72 2.56 0.23 -4.86 118.70 115.46 1xnt s GLU 85 Ca 0.51 -0.50 -0.26 0.00 0.00 0.00 0.00 54.97 54.72 1xnt s GLU 85 Cb -0.20 -2.89 -0.16 0.00 2.00 0.00 0.00 34.13 32.88 1xnt s GLU 85 CO 0.73 0.32 2.25 0.08 -0.56 0.00 0.00 175.26 178.07 1xnt s VAL 86 N 0.16 3.08 0.06 3.70 1.01 -1.26 -1.33 120.40 125.81 1xnt s VAL 86 Ca -0.01 -0.09 -0.33 0.00 0.00 0.00 0.00 61.98 61.54 1xnt s VAL 86 Cb -0.14 -3.51 -0.18 0.00 0.00 0.00 0.00 36.38 32.55 1xnt s VAL 86 CO 0.03 -0.16 1.50 0.25 0.00 0.00 0.00 175.10 176.72 1xnt h LEU 87 N 21.91 -1.07 -7.45 3.92 5.85 -1.85 -3.42 115.31 133.20 1xnt h LEU 87 Ca 0.02 0.05 -0.43 0.00 0.84 0.00 0.00 57.88 58.36 1xnt h LEU 87 Cb 1.00 0.29 -0.38 0.00 0.37 0.00 0.00 40.66 41.94 1xnt h LEU 87 CO 1.03 -0.71 -0.76 -1.48 -0.34 0.00 0.00 178.44 176.19 1xnt s LEU 88 N -9.31 0.53 1.19 2.25 0.05 -0.68 -1.33 118.68 111.38 1xnt s LEU 88 Ca -0.17 -0.06 -0.17 0.00 0.05 0.00 0.00 54.13 53.77 1xnt s LEU 88 Cb 0.02 -0.40 0.26 0.00 -2.05 0.00 0.00 46.19 44.03 1xnt s LEU 88 CO 0.53 -0.20 0.58 1.33 -0.55 0.00 0.00 176.35 178.04 1xnt n VAL 89 N 5.17 0.00 -2.02 1.48 0.24 -1.26 -1.58 118.33 120.35 1xnt n VAL 89 Ca -0.06 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.79 1xnt n VAL 89 Cb 0.50 -0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 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 -2.09 2.72 -0.29 3.34 -1.32 -1.26 -4.26 115.64 112.48 1xnt s THR 90 Ca 0.48 0.58 -0.13 0.00 -1.21 0.00 0.00 61.69 61.42 1xnt s THR 90 Cb -0.09 -3.37 -0.04 0.00 -1.51 0.00 0.00 72.50 67.49 1xnt s THR 90 CO 0.42 0.08 0.28 -0.94 -2.21 0.00 0.00 174.62 172.25 1xnt s SER 91 N 0.52 6.12 -1.14 8.08 1.04 0.16 -4.67 113.70 123.80 1xnt s SER 91 Ca 0.61 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.90 1xnt s SER 91 Cb -0.42 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1xnt s SER 91 CO 0.40 -0.14 2.11 -1.54 0.98 0.00 0.00 173.24 175.05 1xnt n SER 92 N 5.19 3.41 0.25 7.02 3.41 -1.23 -1.51 113.62 130.17 1xnt n SER 92 Ca -0.11 -2.75 -0.15 0.00 -0.26 0.00 0.00 58.87 55.60 1xnt n SER 92 Cb 0.51 -1.40 -0.08 0.00 -0.26 0.00 0.00 64.21 62.98 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 6.83 -0.58 -4.83 7.33 3.57 -0.21 -3.47 116.94 125.58 1xnt h PHE 93 Ca 0.51 -0.01 -0.43 0.00 3.53 0.00 0.00 57.97 61.56 1xnt h PHE 93 Cb 0.63 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.49 1xnt h PHE 93 CO 1.39 -0.28 -0.29 -1.33 -2.23 0.00 0.00 178.31 175.56 1xnt n MET 94 N -5.29 1.12 -4.09 1.11 2.81 -1.21 -5.03 117.12 106.54 1xnt n MET 94 Ca -0.11 -2.45 -0.27 0.00 -1.81 0.00 0.00 57.70 53.05 1xnt n MET 94 Cb 0.29 0.58 -0.04 0.00 -0.71 0.00 0.00 33.22 33.34 1xnt n MET 94 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xnt s SER 95 N -2.94 4.51 -0.04 7.83 1.04 -1.26 -4.52 113.70 118.31 1xnt s SER 95 Ca 0.05 -1.27 0.06 0.00 0.48 0.00 0.00 55.95 55.26 1xnt s SER 95 Cb -0.00 0.21 0.23 0.00 0.10 0.00 0.00 66.02 66.56 1xnt s SER 95 CO 0.03 -0.92 1.03 -0.81 0.98 0.00 0.00 173.24 173.56 1xnt n PRO 96 N -1.55 1.89 0.00 4.02 -0.04 -1.26 -4.04 135.00 134.02 1xnt n PRO 96 Ca -0.05 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1xnt n PRO 96 Cb 0.65 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.19 1.52 0.33 3.54 2.88 -1.26 -4.64 113.62 116.17 1xnt n SER 97 Ca 0.08 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.84 1xnt n SER 97 Cb 0.37 0.00 1.15 0.00 -0.75 0.00 0.00 64.21 64.99 1xnt n SER 97 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1xnt h GLU 98 N 0.00 0.00 -0.73 -1.46 3.07 -1.88 -2.55 114.58 111.02 1xnt h GLU 98 Ca 0.00 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.07 1xnt h GLU 98 Cb 1.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 1xnt h GLU 98 CO 0.00 0.00 0.69 0.77 -1.40 0.00 0.00 179.01 179.07 1xnt h SER 99 N 0.00 0.00 0.00 1.42 0.02 -1.80 -2.41 113.55 110.78 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 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 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 -3.76 0.00 -2.03 3.45 1.74 -0.96 -4.63 116.66 110.46 1xnt n ARG 100 Ca 0.15 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1xnt n ARG 100 Cb 0.95 -0.14 0.06 0.00 -1.02 0.00 0.00 32.46 32.32 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 -0.31 -1.05 0.15 0.55 2.88 -1.22 -4.51 113.62 110.10 1xnt n SER 101 Ca 0.00 -1.85 0.12 0.00 -1.33 0.00 0.00 58.87 55.81 1xnt n SER 101 Cb 0.00 0.46 0.22 0.00 -0.75 0.00 0.00 64.21 64.14 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 0.59 0.00 0.00 0.46 0.00 -1.76 -3.45 103.07 98.90 1xnt h GLY 102 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1xnt h GLY 102 CO -0.17 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.81 1xnt n SER 103 N -2.67 0.00 -2.71 0.19 7.64 -1.26 -4.99 113.62 109.82 1xnt n SER 103 Ca 0.04 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.94 1xnt n SER 103 Cb 0.49 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.45 -0.12 0.11 6.43 4.22 -1.26 -5.03 114.94 118.83 1xnt s ASN 104 Ca 0.00 -0.06 0.08 0.00 -2.14 0.00 0.00 52.86 50.74 1xnt s ASN 104 Cb 0.00 0.19 -0.20 0.00 1.28 0.00 0.00 41.25 42.51 1xnt s ASN 104 CO 0.00 -0.01 1.21 1.55 -2.04 0.00 0.00 177.10 177.81 1xnt h PRO 105 N 5.22 0.00 -4.83 3.55 0.13 -1.66 -3.41 132.00 131.00 1xnt h PRO 105 Ca -0.05 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.50 1xnt h PRO 105 Cb 1.24 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.04 1xnt h PRO 105 CO -0.10 0.93 -0.84 -0.80 -0.23 0.00 0.00 178.00 176.95 1xnt s ASN 106 N -6.63 2.25 0.00 1.44 0.02 -1.26 -2.21 114.94 108.54 1xnt s ASN 106 Ca 0.00 -0.39 0.00 0.00 -1.02 0.00 0.00 52.86 51.45 1xnt s ASN 106 Cb 0.10 -1.04 0.00 0.00 0.02 0.00 0.00 41.25 40.33 1xnt s ASN 106 CO 0.82 0.08 0.00 0.54 0.02 0.00 0.00 177.10 178.56 1xnt n ARG 107 N 3.71 0.00 -4.29 -0.60 1.74 -0.28 -4.99 116.66 111.96 1xnt n ARG 107 Ca -0.21 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.67 1xnt n ARG 107 Cb 0.52 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.85 1xnt n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xnt s VAL 108 N -2.99 1.59 -0.06 1.55 1.01 -1.26 0.08 120.40 120.32 1xnt s VAL 108 Ca 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 61.98 60.13 1xnt s VAL 108 Cb 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1xnt s VAL 108 CO 0.00 -0.36 0.13 -0.60 0.00 0.00 0.00 175.10 174.27 1xnt s ARG 109 N -2.74 0.09 -0.01 2.72 3.52 -0.13 -4.76 118.95 117.63 1xnt s ARG 109 Ca 0.13 0.31 0.03 0.00 -0.13 0.00 0.00 55.73 56.07 1xnt s ARG 109 Cb -0.05 -0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.16 1xnt s ARG 109 CO 0.05 -0.14 -0.09 -1.64 -0.81 0.00 0.00 175.30 172.67 1xnt s MET 110 N 0.95 2.51 0.34 5.12 -1.94 -1.26 -1.29 119.30 123.73 1xnt s MET 110 Ca -0.07 -0.73 0.08 0.00 -1.71 0.00 0.00 55.69 53.26 1xnt s MET 110 Cb -0.10 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.24 1xnt s MET 110 CO -0.05 0.61 0.14 -0.06 -0.01 0.00 0.00 175.02 175.65 1xnt s PHE 111 N -0.94 2.71 0.00 -0.03 0.40 1.00 -4.94 117.98 116.18 1xnt s PHE 111 Ca 0.16 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1xnt s PHE 111 Cb -0.11 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.78 1xnt s PHE 111 CO 0.06 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.73 1xnt n GLY 112 N -1.15 4.49 0.19 4.36 0.00 -1.26 -1.36 105.19 110.47 1xnt n GLY 112 Ca -0.03 -1.01 0.07 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -1.00 1.61 0.13 -1.78 -3.15 132.00 127.81 1xnt h PRO 113 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.34 1xnt h PRO 113 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1xnt h PRO 113 CO 0.00 0.31 0.62 0.22 -0.23 0.00 0.00 178.00 178.91 1xnt h ASP 114 N 0.00 0.67 -0.07 1.44 1.82 -1.96 -1.61 116.42 116.70 1xnt h ASP 114 Ca -0.00 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1xnt h ASP 114 Cb 0.98 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1xnt h ASP 114 CO 0.04 0.21 0.00 0.29 -1.61 0.00 0.00 179.24 178.17 1xnt n LYS 115 N -4.73 2.30 -4.30 0.28 5.02 -1.24 -4.97 118.16 110.53 1xnt n LYS 115 Ca 0.24 -2.17 -0.33 0.00 -2.02 0.00 0.00 58.31 54.02 1xnt n LYS 115 Cb 0.66 -1.34 -0.15 0.00 -0.02 0.00 0.00 35.03 34.18 1xnt n LYS 115 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xnt s LEU 116 N -1.99 2.39 0.11 -0.35 2.96 -0.61 -3.64 118.68 117.55 1xnt s LEU 116 Ca 0.21 -0.53 -0.36 0.00 -0.22 0.00 0.00 54.13 53.23 1xnt s LEU 116 Cb 0.17 -1.55 -0.16 0.00 0.50 0.00 0.00 46.19 45.15 1xnt s LEU 116 CO 0.04 0.04 1.38 0.55 -1.32 0.00 0.00 176.35 177.03 1xnt n VAL 117 N 4.38 0.07 -0.09 1.68 3.14 -0.44 -4.75 118.33 122.31 1xnt n VAL 117 Ca -0.20 -0.02 -0.08 0.00 -2.96 0.00 0.00 64.34 61.09 1xnt n VAL 117 Cb 0.51 -0.97 0.09 0.00 -1.06 0.00 0.00 33.84 32.41 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 4.74 0.79 -0.89 1.45 3.08 -1.93 1.12 114.38 122.74 1xnt h ARG 118 Ca -0.47 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.27 1xnt h ARG 118 Cb 1.32 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.29 1xnt h ARG 118 CO 0.79 0.93 0.58 0.00 -1.07 0.00 0.00 179.97 181.20 1xnt h ALA 119 N 1.07 1.13 0.07 0.04 0.00 -2.00 -3.01 119.26 116.56 1xnt h ALA 119 Ca 0.10 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 1xnt h ALA 119 Cb 0.72 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1xnt h ALA 119 CO 0.06 0.55 -1.99 0.00 0.00 0.00 0.00 179.25 177.86 1xnt n ALA 120 N -2.35 1.16 -0.39 0.00 0.00 -1.12 -3.87 120.51 113.93 1xnt n ALA 120 Ca 0.10 -0.75 0.31 0.00 0.00 0.00 0.00 53.44 53.10 1xnt n ALA 120 Cb 0.02 -0.64 0.60 0.00 0.00 0.00 0.00 19.45 19.44 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 0.40 2.55 -0.60 0.00 0.00 0.14 0.88 119.26 122.63 1xnt h ALA 121 Ca -0.41 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xnt h ALA 121 Cb 2.03 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1xnt h ALA 121 CO 0.06 -1.09 0.00 -0.85 0.00 0.00 0.00 179.25 177.38 1xnt n GLU 122 N -4.65 3.14 -3.36 0.00 0.28 -1.15 -0.90 120.64 114.01 1xnt n GLU 122 Ca 0.32 -2.64 -0.38 0.00 -0.16 0.00 0.00 57.16 54.31 1xnt n GLU 122 Cb 1.21 -1.64 -0.06 0.00 1.43 0.00 0.00 31.44 32.38 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1xnt s LYS 123 N -1.41 4.20 -0.48 3.44 -0.14 0.31 -4.85 119.74 120.80 1xnt s LYS 123 Ca 0.44 0.49 -0.28 0.00 -1.36 0.00 0.00 55.97 55.26 1xnt s LYS 123 Cb 0.26 -3.34 0.00 0.00 -1.68 0.00 0.00 37.83 33.07 1xnt s LYS 123 CO 0.25 0.39 1.56 1.03 -0.76 0.00 0.00 175.35 177.82 1xnt s ARG 124 N -0.14 3.28 0.32 1.68 0.52 -1.26 -4.10 118.95 119.25 1xnt s ARG 124 Ca 0.26 0.80 0.08 0.00 -0.52 0.00 0.00 55.73 56.35 1xnt s ARG 124 Cb -0.16 -4.15 -0.04 0.00 0.52 0.00 0.00 34.95 31.12 1xnt s ARG 124 CO 0.13 -1.94 0.13 -1.58 0.02 0.00 0.00 175.30 172.06 1xnt s TRP 125 N 6.50 2.74 0.00 -0.53 0.52 0.16 -4.66 118.94 123.67 1xnt s TRP 125 Ca 0.62 -0.34 0.00 0.00 0.02 0.00 0.00 56.10 56.41 1xnt s TRP 125 Cb -0.14 -1.56 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1xnt s TRP 125 CO 0.28 0.39 0.50 -0.40 0.02 0.00 0.00 176.95 177.74 1xnt n ASP 126 N -1.12 0.32 -3.98 2.95 5.68 -0.63 -0.51 116.55 119.25 1xnt n ASP 126 Ca -0.04 -1.14 -0.14 0.00 -0.50 0.00 0.00 54.79 52.97 1xnt n ASP 126 Cb 0.61 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.14 0.39 -0.01 0.11 0.52 -0.21 -1.11 118.95 118.50 1xnt s ARG 127 Ca 0.00 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.82 1xnt s ARG 127 Cb 0.00 -0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.22 1xnt s ARG 127 CO 0.00 0.06 -0.03 0.54 0.02 0.00 0.00 175.30 175.89 1xnt s VAL 128 N -0.69 0.26 -0.18 3.52 0.11 -0.51 -2.63 120.40 120.28 1xnt s VAL 128 Ca -0.04 -0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 58.82 1xnt s VAL 128 Cb -0.05 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1xnt s VAL 128 CO -0.00 0.09 0.05 -0.75 -3.33 0.00 0.00 175.10 171.16 1xnt s LYS 129 N 0.06 3.94 -0.22 1.54 2.47 -0.52 -0.29 119.74 126.72 1xnt s LYS 129 Ca -0.00 -0.36 0.01 0.00 -1.56 0.00 0.00 55.97 54.05 1xnt s LYS 129 Cb -0.03 -3.19 0.05 0.00 -1.46 0.00 0.00 37.83 33.20 1xnt s LYS 129 CO -0.00 0.25 -0.07 0.42 0.16 0.00 0.00 175.35 176.11 1xnt s ILE 130 N 0.41 1.56 -0.19 5.43 -1.09 0.72 -1.25 121.20 126.79 1xnt s ILE 130 Ca 0.02 -1.12 -0.00 0.00 -2.23 0.00 0.00 60.65 57.32 1xnt s ILE 130 Cb -0.13 -1.75 0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1xnt s ILE 130 CO 0.01 0.01 -0.16 -0.69 -1.23 0.00 0.00 174.94 172.88 1xnt s VAL 131 N 1.40 2.40 0.25 2.92 1.01 -0.56 0.02 120.40 127.84 1xnt s VAL 131 Ca -0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1xnt s VAL 131 Cb -0.18 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1xnt s VAL 131 CO -0.07 0.49 0.53 0.00 0.00 0.00 0.00 175.10 176.06 1xnt s SER 133 N -2.75 -0.90 0.00 0.00 0.01 0.25 -1.47 113.70 108.85 1xnt s SER 133 Ca 0.45 1.50 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1xnt s SER 133 Cb -0.11 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.53 1xnt s SER 133 CO 0.26 -0.24 0.00 1.67 0.41 0.00 0.00 173.24 175.34 1xnt n GLN 134 N 3.92 0.00 -2.82 12.44 -0.06 -0.58 0.24 117.38 130.51 1xnt n GLN 134 Ca -0.19 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.39 1xnt n GLN 134 Cb 0.58 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.72 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 -2.10 3.86 0.00 3.69 0.04 -1.25 -4.10 135.00 135.14 1xnt s PRO 135 Ca 0.00 0.59 0.03 0.00 0.04 0.00 0.00 61.00 61.66 1xnt s PRO 135 Cb 0.00 -3.79 0.03 0.00 0.04 0.00 0.00 34.50 30.78 1xnt s PRO 135 CO 0.00 -0.91 0.65 2.48 0.04 0.00 0.00 177.00 179.26 1xnt n TYR 136 N 6.69 0.01 -2.33 0.56 0.18 -1.25 -4.90 117.16 116.12 1xnt n TYR 136 Ca 0.07 -0.04 0.00 0.00 1.88 0.00 0.00 57.90 59.80 1xnt n TYR 136 Cb 0.48 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.44 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 0.16 0.00 -0.78 9.48 2.88 -1.14 -4.93 113.62 119.28 1xnt n SER 137 Ca 0.02 -0.06 -0.01 0.00 -1.33 0.00 0.00 58.87 57.49 1xnt n SER 137 Cb 0.10 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.00 0.00 0.00 -1.46 4.81 -1.21 -4.45 118.16 115.85 1xnt n LYS 138 Ca 0.00 -0.80 0.00 0.00 -0.87 0.00 0.00 58.31 56.64 1xnt n LYS 138 Cb 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.08 0.00 -4.94 3.14 5.75 -1.26 -4.46 116.55 114.85 1xnt n ASP 139 Ca -0.06 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.48 1xnt n ASP 139 Cb 0.70 0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.79 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 -2.23 6.32 0.00 -1.12 1.04 -1.26 -3.73 113.70 112.72 1xnt s SER 140 Ca 0.00 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1xnt s SER 140 Cb 0.00 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1xnt s SER 140 CO 0.00 -0.21 0.00 -0.81 0.98 0.00 0.00 173.24 173.20 1xnt n PRO 141 N -1.50 1.49 -0.97 4.02 -0.04 -1.26 0.99 135.00 137.72 1xnt n PRO 141 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1xnt n PRO 141 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1xnt n PRO 141 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1xnt n PHE 142 N 0.00 -0.03 0.00 0.54 -1.74 -1.26 -4.70 117.46 110.27 1xnt n PHE 142 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1xnt n PHE 142 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xnt n GLY 143 N 0.00 0.29 3.27 4.97 0.00 -1.26 -0.78 105.19 111.68 1xnt n GLY 143 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 1.27 0.28 0.99 -0.00 -1.18 -1.53 118.68 118.50 1xnt s LEU 144 Ca 0.00 -0.98 0.15 0.00 -0.00 0.00 0.00 54.13 53.30 1xnt s LEU 144 Cb 0.00 0.87 0.11 0.00 -0.00 0.00 0.00 46.19 47.18 1xnt s LEU 144 CO 0.00 -0.83 1.46 0.77 -0.00 0.00 0.00 176.35 177.75 1xnt h SER 145 N 2.67 0.00 -5.75 1.48 4.64 -0.37 -1.63 113.55 114.59 1xnt h SER 145 Ca -0.33 0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.31 1xnt h SER 145 Cb 1.22 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.21 1xnt h SER 145 CO 0.52 0.53 0.82 0.72 -0.87 0.00 0.00 176.83 178.55 1xnt s PHE 146 N -3.01 -0.02 -0.14 4.77 -0.71 -1.26 -4.46 117.98 113.16 1xnt s PHE 146 Ca 0.03 -0.12 -0.08 0.00 -1.04 0.00 0.00 56.93 55.72 1xnt s PHE 146 Cb 0.08 0.57 0.05 0.00 -1.21 0.00 0.00 43.02 42.51 1xnt s PHE 146 CO 0.74 -0.34 0.35 0.14 -1.34 0.00 0.00 175.22 174.77 1xnt s VAL 147 N -2.31 -0.03 -0.11 -2.49 -7.23 -1.26 -1.31 120.40 105.66 1xnt s VAL 147 Ca 0.19 0.11 -0.03 0.00 -1.81 0.00 0.00 61.98 60.44 1xnt s VAL 147 Cb 0.02 -0.52 0.05 0.00 0.56 0.00 0.00 36.38 36.50 1xnt s VAL 147 CO -0.02 0.05 0.13 -0.13 -0.31 0.00 0.00 175.10 174.81 1xnt s ARG 148 N 1.31 0.03 0.34 4.82 0.52 0.16 -4.93 118.95 121.21 1xnt s ARG 148 Ca -0.09 0.32 -0.09 0.00 -0.52 0.00 0.00 55.73 55.35 1xnt s ARG 148 Cb -0.09 -0.81 -0.06 0.00 0.52 0.00 0.00 34.95 34.50 1xnt s ARG 148 CO -0.11 -0.44 0.66 -0.06 0.02 0.00 0.00 175.30 175.37 1xnt s PHE 149 N 2.23 3.46 -0.20 -0.53 0.08 -1.26 0.50 117.98 122.26 1xnt s PHE 149 Ca 0.04 0.88 -0.07 0.00 0.12 0.00 0.00 56.93 57.90 1xnt s PHE 149 Cb -0.13 -2.30 0.09 0.00 -0.57 0.00 0.00 43.02 40.10 1xnt s PHE 149 CO -0.07 0.05 0.44 -3.38 -0.10 0.00 0.00 175.22 172.16 1xnt s HIS 150 N -2.19 -0.82 -2.00 0.36 -3.43 -0.40 -2.68 115.29 104.13 1xnt s HIS 150 Ca 0.48 1.57 0.19 0.00 -0.80 0.00 0.00 55.06 56.50 1xnt s HIS 150 Cb -0.11 0.34 1.11 0.00 -1.43 0.00 0.00 32.58 32.49 1xnt s HIS 150 CO 0.29 -0.48 1.51 0.45 -2.00 0.00 0.00 174.74 174.50