#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt h PRO 2 N 0.00 0.00 -5.72 0.03 0.13 -1.99 -3.39 132.00 121.06 1xnt h PRO 2 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 1xnt h PRO 2 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 1xnt h PRO 2 CO 0.00 0.69 -0.62 -1.21 -0.23 0.00 0.00 178.00 176.62 1xnt s GLU 3 N -2.82 1.90 -0.00 0.86 0.41 -1.26 -1.16 118.70 116.64 1xnt s GLU 3 Ca 0.01 -2.05 -0.03 0.00 -0.41 0.00 0.00 54.97 52.49 1xnt s GLU 3 Cb 0.09 -1.63 -0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1xnt s GLU 3 CO 0.79 0.00 0.06 0.42 -0.49 0.00 0.00 175.26 176.04 1xnt s ILE 4 N -2.71 0.07 0.31 -1.63 1.01 -0.94 -4.25 121.20 113.05 1xnt s ILE 4 Ca 0.34 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1xnt s ILE 4 Cb 0.08 -0.28 -0.06 0.00 0.01 0.00 0.00 42.46 42.21 1xnt s ILE 4 CO 0.17 -0.31 -0.01 -0.13 0.00 0.00 0.00 174.94 174.66 1xnt s ARG 5 N -0.98 1.62 -0.08 2.79 3.00 -1.26 -4.06 118.95 119.98 1xnt s ARG 5 Ca -0.11 -1.86 -0.13 0.00 0.00 0.00 0.00 55.73 53.64 1xnt s ARG 5 Cb -0.06 -1.10 -0.05 0.00 0.00 0.00 0.00 34.95 33.74 1xnt s ARG 5 CO 0.00 -0.05 0.32 -1.17 0.00 0.00 0.00 175.30 174.40 1xnt s LEU 6 N -3.48 4.38 -0.18 2.53 1.98 -1.26 -3.48 118.68 119.17 1xnt s LEU 6 Ca 0.32 0.71 -0.14 0.00 -2.89 0.00 0.00 54.13 52.14 1xnt s LEU 6 Cb 0.06 -2.41 -0.09 0.00 0.66 0.00 0.00 46.19 44.41 1xnt s LEU 6 CO 0.14 0.27 -0.12 -1.14 -1.89 0.00 0.00 176.35 173.60 1xnt n ARG 7 N 2.43 0.51 -3.56 1.98 0.63 0.99 -4.77 116.66 114.87 1xnt n ARG 7 Ca -0.14 0.47 -0.10 0.00 -0.92 0.00 0.00 57.85 57.15 1xnt n ARG 7 Cb 0.53 -1.65 -0.02 0.00 0.45 0.00 0.00 32.46 31.77 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 -2.41 -0.41 -0.96 -0.14 -3.43 -1.18 -4.99 115.29 101.78 1xnt s HIS 8 Ca -0.23 0.14 -0.24 0.00 -0.80 0.00 0.00 55.06 53.93 1xnt s HIS 8 Cb 0.05 0.60 0.04 0.00 -1.43 0.00 0.00 32.58 31.83 1xnt s HIS 8 CO 0.38 -0.90 1.46 0.54 -2.00 0.00 0.00 174.74 174.21 1xnt s VAL 9 N -3.68 3.84 0.13 -5.38 0.11 -1.26 0.50 120.40 114.66 1xnt s VAL 9 Ca 0.05 -0.51 -0.27 0.00 -2.93 0.00 0.00 61.98 58.31 1xnt s VAL 9 Cb -0.02 -4.95 -0.03 0.00 -1.53 0.00 0.00 36.38 29.85 1xnt s VAL 9 CO -0.07 -1.84 1.60 1.62 -3.33 0.00 0.00 175.10 173.08 1xnt h VAL 10 N 6.70 0.22 -3.42 2.04 3.04 -1.49 -3.43 116.25 119.91 1xnt h VAL 10 Ca 0.10 0.00 -0.61 0.00 -1.01 0.00 0.00 66.70 65.18 1xnt h VAL 10 Cb 1.02 0.22 -0.19 0.00 -2.01 0.00 0.00 31.29 30.32 1xnt h VAL 10 CO 1.39 0.00 -0.82 -0.55 -1.01 0.00 0.00 177.57 176.58 1xnt s SER 11 N -4.90 3.08 -0.06 3.17 0.15 -0.24 -4.98 113.70 109.92 1xnt s SER 11 Ca -0.15 -0.83 -0.01 0.00 0.70 0.00 0.00 55.95 55.66 1xnt s SER 11 Cb 0.10 -0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 1xnt s SER 11 CO 0.65 0.08 0.02 0.00 1.20 0.00 0.00 173.24 175.18 1xnt n SER 13 N 5.15 4.29 0.00 0.00 7.64 0.25 -4.83 113.62 126.12 1xnt n SER 13 Ca -0.07 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.35 1xnt n SER 13 Cb 0.50 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1xnt n SER 13 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xnt n SER 14 N -0.63 0.00 -3.96 6.43 7.64 -1.10 -1.99 113.62 120.01 1xnt n SER 14 Ca 0.37 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.10 1xnt n SER 14 Cb 0.89 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.95 1xnt n SER 14 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xnt s GLN 15 N 0.00 0.38 0.00 1.43 -0.44 -1.26 -3.77 119.66 116.00 1xnt s GLN 15 Ca 0.00 -0.22 0.00 0.00 -2.50 0.00 0.00 55.36 52.64 1xnt s GLN 15 Cb 0.00 -0.35 0.00 0.00 -1.64 0.00 0.00 33.01 31.02 1xnt s GLN 15 CO 0.00 0.09 0.00 -0.25 0.50 0.00 0.00 175.29 175.63 1xnt n ASP 16 N 2.83 0.00 -0.10 6.67 8.00 -0.72 -3.31 116.55 129.91 1xnt n ASP 16 Ca -0.14 -0.59 -0.17 0.00 0.71 0.00 0.00 54.79 54.60 1xnt n ASP 16 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.62 1xnt n ASP 16 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xnt n SER 17 N -1.78 1.83 -0.20 -2.24 2.88 -1.26 -3.76 113.62 109.09 1xnt n SER 17 Ca 0.00 0.31 -0.08 0.00 -1.33 0.00 0.00 58.87 57.77 1xnt n SER 17 Cb 0.00 -0.72 0.02 0.00 -0.75 0.00 0.00 64.21 62.76 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1xnt h THR 18 N -0.91 1.23 -3.04 2.46 1.35 -1.99 -3.32 112.91 108.69 1xnt h THR 18 Ca -0.29 -0.75 -0.62 0.00 -0.55 0.00 0.00 66.41 64.20 1xnt h THR 18 Cb 1.21 0.66 -0.42 0.00 -1.73 0.00 0.00 68.15 67.87 1xnt h THR 18 CO -0.18 0.29 -0.60 -1.00 -0.25 0.00 0.00 175.52 173.78 1xnt s HIS 19 N -5.48 3.41 0.56 4.73 3.76 -1.26 -5.04 115.29 115.97 1xnt s HIS 19 Ca -0.13 -3.27 -0.01 0.00 -0.15 0.00 0.00 55.06 51.50 1xnt s HIS 19 Cb 0.12 -2.59 0.03 0.00 1.11 0.00 0.00 32.58 31.25 1xnt s HIS 19 CO 0.79 -0.57 0.81 0.00 -0.85 0.00 0.00 174.74 174.92 1xnt h ALA 21 N -0.01 1.36 0.00 0.00 0.00 -1.84 -1.27 119.26 117.49 1xnt h ALA 21 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 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 0.55 0.06 0.00 1.49 0.00 0.00 0.00 179.25 181.35 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 -0.58 114.58 116.89 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 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 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 0.37 1.04 2.35 -1.45 -1.18 115.58 116.72 1xnt h ASN 23 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1xnt h ASN 23 Cb 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xnt h ASN 23 CO 0.00 0.00 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.59 1xnt h LEU 24 N 0.00 0.00 -2.52 1.61 3.38 -1.30 -0.98 115.31 115.49 1xnt h LEU 24 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xnt h LEU 24 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xnt h LEU 24 CO 0.00 0.12 0.11 -0.07 0.09 0.00 0.00 178.44 178.69 1xnt h LEU 25 N 0.00 0.00 -5.89 1.67 -0.00 -1.40 -2.69 115.31 106.99 1xnt h LEU 25 Ca -0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.25 1xnt h LEU 25 Cb 0.34 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 40.60 1xnt h LEU 25 CO 0.02 0.00 -0.40 0.29 -0.00 0.00 0.00 178.44 178.35 1xnt n LYS 26 N -3.38 3.16 0.16 1.13 4.01 -0.37 -4.87 118.16 118.00 1xnt n LYS 26 Ca -0.02 -4.75 0.19 0.00 -0.51 0.00 0.00 58.31 53.23 1xnt n LYS 26 Cb 0.19 -2.28 0.78 0.00 -0.51 0.00 0.00 35.03 33.21 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 3.80 1.89 -3.10 7.82 0.00 -1.64 -3.15 119.26 124.88 1xnt h ALA 27 Ca 0.19 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.47 1xnt h ALA 27 Cb 0.57 0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.97 1xnt h ALA 27 CO 0.89 -0.53 -0.55 -0.51 0.00 0.00 0.00 179.25 178.56 1xnt s ASP 28 N -5.15 4.86 0.00 0.00 1.11 -1.26 -4.88 116.67 111.35 1xnt s ASP 28 Ca -0.04 -3.75 0.00 0.00 0.18 0.00 0.00 52.55 48.94 1xnt s ASP 28 Cb 0.14 -1.66 0.00 0.00 1.07 0.00 0.00 42.92 42.47 1xnt s ASP 28 CO 0.48 -0.11 0.00 0.35 1.18 0.00 0.00 175.17 177.08 1xnt n THR 29 N 2.12 0.00 -2.08 -1.27 -2.24 -1.19 -5.07 114.28 104.56 1xnt n THR 29 Ca 0.18 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1xnt n THR 29 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.56 -0.12 -3.79 4.78 4.11 -1.26 -5.16 117.16 115.15 1xnt n TYR 30 Ca 0.00 -0.13 -0.08 0.00 -0.00 0.00 0.00 57.90 57.69 1xnt n TYR 30 Cb 0.00 0.49 -0.03 0.00 -0.00 0.00 0.00 39.34 39.80 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 1.62 0.00 -3.48 0.52 -1.26 -5.18 118.95 111.18 1xnt s ARG 31 Ca 0.01 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 1xnt s ARG 31 Cb 0.03 0.58 0.00 0.00 0.52 0.00 0.00 34.95 36.07 1xnt s ARG 31 CO -0.01 -0.73 0.00 0.36 0.02 0.00 0.00 175.30 174.95 1xnt n LYS 32 N -0.42 0.00 -3.53 3.54 2.85 -1.26 -4.75 118.16 114.59 1xnt n LYS 32 Ca -0.07 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.82 1xnt n LYS 32 Cb 0.61 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.93 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 177.40 176.89 1xnt s TRP 33 N -2.58 3.71 -0.12 5.58 -0.00 -0.71 -4.36 118.94 120.46 1xnt s TRP 33 Ca 0.00 0.96 -0.05 0.00 -0.00 0.00 0.00 56.10 57.01 1xnt s TRP 33 Cb 0.00 -2.26 0.06 0.00 -0.00 0.00 0.00 33.47 31.27 1xnt s TRP 33 CO 0.00 0.64 0.26 1.03 -0.00 0.00 0.00 176.95 178.88 1xnt s ARG 34 N -1.15 0.17 0.75 5.86 0.52 -1.19 -3.33 118.95 120.58 1xnt s ARG 34 Ca 0.24 0.69 -0.16 0.00 -0.52 0.00 0.00 55.73 55.98 1xnt s ARG 34 Cb -0.16 -0.06 -0.06 0.00 0.52 0.00 0.00 34.95 35.19 1xnt s ARG 34 CO 0.13 -0.25 0.30 0.00 0.02 0.00 0.00 175.30 175.51 1xnt n ALA 35 N 5.01 -2.22 0.19 2.13 0.00 -0.42 -1.76 120.51 123.44 1xnt n ALA 35 Ca -0.12 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.05 1xnt n ALA 35 Cb 0.51 -1.72 0.39 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.52 1.45 -4.09 0.00 0.00 -1.64 -3.31 119.26 111.15 1xnt h ALA 36 Ca -0.45 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.02 1xnt h ALA 36 Cb 1.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1xnt h ALA 36 CO 0.40 0.42 -0.10 1.17 0.00 0.00 0.00 179.25 181.13 1xnt n LYS 37 N -4.14 1.45 -0.26 0.00 4.81 -1.26 -4.71 118.16 114.04 1xnt n LYS 37 Ca -0.02 -0.79 0.00 0.00 -0.87 0.00 0.00 58.31 56.63 1xnt n LYS 37 Cb 0.37 0.28 0.00 0.00 0.02 0.00 0.00 35.03 35.70 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xnt n ALA 38 N -2.62 0.00 -3.20 3.14 0.00 -1.26 -4.27 120.51 112.30 1xnt n ALA 38 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 1xnt n ALA 38 Cb 0.14 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.12 3.52 0.00 0.00 -1.21 -4.77 105.19 107.62 1xnt n GLY 39 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.56 0.28 -0.06 1.61 -0.58 -1.26 -4.58 120.64 112.50 1xnt n GLU 40 Ca -0.06 -0.25 -0.10 0.00 -0.42 0.00 0.00 57.16 56.32 1xnt n GLU 40 Cb 0.57 -2.16 -0.05 0.00 -0.57 0.00 0.00 31.44 29.24 1xnt n GLU 40 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1xnt n LYS 41 N 7.38 0.26 -3.63 3.49 2.85 -1.25 -2.10 118.16 125.16 1xnt n LYS 41 Ca 0.58 0.09 -0.01 0.00 -1.05 0.00 0.00 58.31 57.92 1xnt n LYS 41 Cb 0.25 -1.07 -0.04 0.00 -0.65 0.00 0.00 35.03 33.52 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1xnt s THR 42 N -2.22 -0.98 0.06 0.58 -4.23 -1.26 -0.29 115.64 107.30 1xnt s THR 42 Ca -0.15 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.42 1xnt s THR 42 Cb 0.05 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 1xnt s THR 42 CO 0.23 0.00 -0.17 0.27 -0.54 0.00 0.00 174.62 174.41 1xnt s ILE 43 N 2.88 1.35 0.06 2.99 -4.36 -0.54 -4.98 121.20 118.61 1xnt s ILE 43 Ca -0.06 -1.22 0.06 0.00 -0.26 0.00 0.00 60.65 59.17 1xnt s ILE 43 Cb -0.12 -1.23 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 1xnt s ILE 43 CO -0.19 -0.02 -0.17 -0.44 0.24 0.00 0.00 174.94 174.37 1xnt s SER 44 N -1.44 1.99 -0.24 4.36 0.01 -0.84 -0.37 113.70 117.18 1xnt s SER 44 Ca 0.03 -0.56 -0.06 0.00 1.31 0.00 0.00 55.95 56.67 1xnt s SER 44 Cb -0.09 -0.12 0.11 0.00 0.21 0.00 0.00 66.02 66.14 1xnt s SER 44 CO 0.02 0.03 0.47 0.54 0.41 0.00 0.00 173.24 174.72 1xnt s VAL 45 N -1.02 -0.74 -0.15 3.43 0.11 0.22 0.87 120.40 123.11 1xnt s VAL 45 Ca 0.03 0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 59.01 1xnt s VAL 45 Cb -0.09 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 1xnt s VAL 45 CO 0.02 0.02 0.32 -0.69 -3.33 0.00 0.00 175.10 171.44 1xnt s VAL 46 N 2.68 5.29 0.37 2.04 1.01 0.74 -0.08 120.40 132.45 1xnt s VAL 46 Ca 0.02 0.61 0.07 0.00 0.00 0.00 0.00 61.98 62.68 1xnt s VAL 46 Cb -0.13 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1xnt s VAL 46 CO -0.15 0.38 0.44 -0.76 0.00 0.00 0.00 175.10 175.01 1xnt s LEU 47 N 0.48 3.70 -0.18 3.92 1.43 0.17 -1.08 118.68 127.12 1xnt s LEU 47 Ca 0.18 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1xnt s LEU 47 Cb -0.13 -2.48 0.03 0.00 0.03 0.00 0.00 46.19 43.63 1xnt s LEU 47 CO 0.05 -0.55 -0.17 -1.58 0.23 0.00 0.00 176.35 174.33 1xnt s GLN 48 N -4.18 2.65 0.27 1.70 -0.44 0.18 -1.43 119.66 118.42 1xnt s GLN 48 Ca 0.47 -0.80 -0.29 0.00 -2.50 0.00 0.00 55.36 52.24 1xnt s GLN 48 Cb -0.08 -2.46 -0.09 0.00 -1.64 0.00 0.00 33.01 28.74 1xnt s GLN 48 CO 0.30 -0.27 1.21 -0.51 0.50 0.00 0.00 175.29 176.52 1xnt s LEU 49 N 1.34 4.48 -0.03 3.68 2.01 0.34 -0.01 118.68 130.48 1xnt s LEU 49 Ca 0.03 2.42 0.00 0.00 0.01 0.00 0.00 54.13 56.59 1xnt s LEU 49 Cb -0.14 -3.63 0.03 0.00 0.01 0.00 0.00 46.19 42.46 1xnt s LEU 49 CO -0.11 -0.36 1.67 1.21 1.01 0.00 0.00 176.35 179.77 1xnt n GLU 50 N 1.46 1.09 0.00 1.70 2.13 -1.23 -4.69 120.64 121.11 1xnt n GLU 50 Ca 0.01 -0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1xnt n GLU 50 Cb 0.43 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.07 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 1.03 0.00 -2.37 5.31 2.85 -1.26 -5.02 118.16 118.70 1xnt n LYS 51 Ca 0.04 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.87 1xnt n LYS 51 Cb 0.53 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.89 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 3.55 0.30 -1.58 2.12 -1.26 -4.64 118.70 117.18 1xnt s GLU 52 Ca 0.00 0.86 0.02 0.00 0.36 0.00 0.00 54.97 56.21 1xnt s GLU 52 Cb 0.00 -4.03 -0.02 0.00 0.26 0.00 0.00 34.13 30.34 1xnt s GLU 52 CO 0.00 -1.60 0.30 -1.83 -0.54 0.00 0.00 175.26 171.58 1xnt s GLU 53 N 4.98 1.64 0.37 4.30 4.04 0.26 -4.72 118.70 129.58 1xnt s GLU 53 Ca 0.60 -1.82 -0.04 0.00 0.04 0.00 0.00 54.97 53.75 1xnt s GLU 53 Cb -0.13 0.35 0.08 0.00 0.02 0.00 0.00 34.13 34.45 1xnt s GLU 53 CO 0.32 -0.62 0.51 1.04 -1.84 0.00 0.00 175.26 174.67 1xnt n GLN 54 N -0.51 -0.12 -3.76 -4.83 6.02 -1.26 0.14 117.38 113.06 1xnt n GLN 54 Ca 0.04 -1.04 -0.14 0.00 -0.01 0.00 0.00 57.00 55.84 1xnt n GLN 54 Cb 0.63 -0.44 -0.15 0.00 1.02 0.00 0.00 30.24 31.30 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 -1.73 -0.05 -0.00 5.09 1.09 0.11 -4.57 121.20 121.14 1xnt s ILE 55 Ca 0.31 0.20 0.00 0.00 -1.10 0.00 0.00 60.65 60.06 1xnt s ILE 55 Cb -0.01 -0.14 -0.01 0.00 -1.06 0.00 0.00 42.46 41.25 1xnt s ILE 55 CO 0.21 0.08 0.01 1.57 -0.10 0.00 0.00 174.94 176.71 1xnt n HIS 56 N 4.17 0.00 -3.75 3.97 -0.00 -1.09 -4.47 115.22 114.04 1xnt n HIS 56 Ca -0.27 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.78 1xnt n HIS 56 Cb 0.51 -0.02 -0.10 0.00 -0.12 0.00 0.00 29.99 30.26 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 -2.56 -0.37 0.23 0.26 0.01 -0.43 -0.77 113.70 110.07 1xnt s SER 57 Ca -0.00 0.70 0.08 0.00 1.31 0.00 0.00 55.95 58.04 1xnt s SER 57 Cb 0.00 0.72 -0.05 0.00 0.21 0.00 0.00 66.02 66.90 1xnt s SER 57 CO 0.02 -0.13 -0.14 -0.69 0.41 0.00 0.00 173.24 172.70 1xnt s VAL 58 N 0.15 1.88 -0.02 3.43 1.01 -0.04 -0.65 120.40 126.16 1xnt s VAL 58 Ca -0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 61.98 59.73 1xnt s VAL 58 Cb -0.03 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1xnt s VAL 58 CO 0.01 -0.51 0.04 -1.81 0.00 0.00 0.00 175.10 172.82 1xnt s ASP 59 N -3.38 0.00 -0.23 3.32 1.11 -0.47 0.22 116.67 117.25 1xnt s ASP 59 Ca 0.25 0.07 -0.14 0.00 0.18 0.00 0.00 52.55 52.91 1xnt s ASP 59 Cb -0.01 0.02 0.07 0.00 1.07 0.00 0.00 42.92 44.07 1xnt s ASP 59 CO 0.09 -0.07 0.56 -0.63 1.18 0.00 0.00 175.17 176.30 1xnt s ILE 60 N 0.55 -0.01 -0.23 0.77 1.09 -0.61 0.11 121.20 122.87 1xnt s ILE 60 Ca -0.04 0.04 -0.06 0.00 -1.10 0.00 0.00 60.65 59.48 1xnt s ILE 60 Cb -0.06 -0.81 -0.02 0.00 -1.06 0.00 0.00 42.46 40.50 1xnt s ILE 60 CO -0.02 0.01 0.03 -0.83 -0.10 0.00 0.00 174.94 174.04 1xnt s GLY 61 N 1.30 1.72 0.37 6.18 0.00 -0.71 -1.23 107.32 114.95 1xnt s GLY 61 Ca -0.08 -1.11 -0.27 0.00 0.00 0.00 0.00 44.72 43.26 1xnt s GLY 61 CO -0.13 0.46 1.20 -1.31 0.00 0.00 0.00 173.10 173.32 1xnt s ASN 62 N 1.47 6.65 -0.46 1.64 0.02 0.69 -1.30 114.94 123.64 1xnt s ASN 62 Ca 0.05 2.44 0.08 0.00 -1.02 0.00 0.00 52.86 54.42 1xnt s ASN 62 Cb -0.15 -2.63 0.38 0.00 0.02 0.00 0.00 41.25 38.87 1xnt s ASN 62 CO 0.02 -0.60 0.94 -0.67 0.02 0.00 0.00 177.10 176.81 1xnt n ASP 63 N 0.37 3.32 0.00 -1.22 2.03 -0.35 -2.28 116.55 118.42 1xnt n ASP 63 Ca 0.03 -3.41 0.00 0.00 0.52 0.00 0.00 54.79 51.92 1xnt n ASP 63 Cb 0.45 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -0.16 2.09 3.40 0.27 0.00 -1.04 -3.72 105.19 106.02 1xnt n GLY 64 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.11 0.09 1.61 2.88 -1.17 -4.80 113.62 110.12 1xnt n SER 65 Ca 0.00 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1xnt n SER 65 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 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 -4.92 3.00 -2.78 -1.46 0.00 -1.26 -4.12 120.51 108.96 1xnt n ALA 66 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 1xnt n ALA 66 Cb 0.56 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 3.47 -0.22 0.00 0.08 -0.20 -0.47 117.98 118.65 1xnt s PHE 67 Ca 0.00 0.40 -0.03 0.00 0.12 0.00 0.00 56.93 57.42 1xnt s PHE 67 Cb 0.00 -2.08 0.07 0.00 -0.57 0.00 0.00 43.02 40.44 1xnt s PHE 67 CO 0.00 0.44 0.06 0.08 -0.10 0.00 0.00 175.22 175.70 1xnt s VAL 68 N -0.11 0.52 -0.18 -0.44 1.01 0.03 0.62 120.40 121.85 1xnt s VAL 68 Ca 0.10 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1xnt s VAL 68 Cb -0.11 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1xnt s VAL 68 CO 0.00 -0.33 0.24 -0.70 0.00 0.00 0.00 175.10 174.31 1xnt s GLU 69 N 1.85 4.23 -0.13 2.72 2.12 -0.20 -0.32 118.70 128.97 1xnt s GLU 69 Ca 0.02 -0.00 0.02 0.00 0.36 0.00 0.00 54.97 55.36 1xnt s GLU 69 Cb -0.17 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.80 1xnt s GLU 69 CO -0.13 0.24 -0.19 0.08 -0.54 0.00 0.00 175.26 174.72 1xnt s VAL 70 N 0.48 1.83 0.31 3.70 1.01 -0.59 -1.41 120.40 125.72 1xnt s VAL 70 Ca 0.14 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1xnt s VAL 70 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1xnt s VAL 70 CO 0.02 0.50 0.13 -0.76 0.00 0.00 0.00 175.10 174.99 1xnt s LEU 71 N 0.96 3.36 0.21 3.92 1.02 -0.32 -1.70 118.68 126.12 1xnt s LEU 71 Ca -0.05 -0.64 0.08 0.00 0.02 0.00 0.00 54.13 53.54 1xnt s LEU 71 Cb -0.15 -1.87 -0.05 0.00 0.02 0.00 0.00 46.19 44.15 1xnt s LEU 71 CO -0.03 -0.19 -0.14 0.68 0.02 0.00 0.00 176.35 176.69 1xnt s VAL 72 N -2.35 1.72 0.00 -1.59 -7.23 -0.07 -1.32 120.40 109.56 1xnt s VAL 72 Ca 0.36 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1xnt s VAL 72 Cb -0.05 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.84 1xnt s VAL 72 CO 0.23 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1xnt n GLY 73 N -0.38 -0.67 3.55 2.32 0.00 -0.84 0.52 105.19 109.70 1xnt n GLY 73 Ca -0.08 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 4.07 0.00 1.61 0.15 -1.26 -1.10 113.70 117.17 1xnt s SER 74 Ca 0.00 -0.79 0.21 0.00 0.70 0.00 0.00 55.95 56.07 1xnt s SER 74 Cb 0.00 -0.59 1.22 0.00 -1.71 0.00 0.00 66.02 64.94 1xnt s SER 74 CO 0.00 0.04 1.79 -0.24 1.20 0.00 0.00 173.24 176.03 1xnt n SER 75 N -0.56 0.04 -4.55 5.45 2.88 -1.26 -4.87 113.62 110.75 1xnt n SER 75 Ca -0.07 -1.36 -0.34 0.00 -1.33 0.00 0.00 58.87 55.77 1xnt n SER 75 Cb 0.59 -0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.16 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt n ALA 76 N -0.80 -1.29 -1.67 -1.46 0.00 -1.26 -4.77 120.51 109.26 1xnt n ALA 76 Ca 0.15 -0.42 -0.39 0.00 0.00 0.00 0.00 53.44 52.79 1xnt n ALA 76 Cb 0.08 -2.00 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 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 -1.97 0.04 0.00 0.00 0.00 -1.26 -4.85 107.32 99.28 1xnt s GLY 77 Ca 0.66 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.58 1xnt s GLY 77 CO 0.59 3.87 0.00 0.61 0.00 0.00 0.00 173.10 178.17 1xnt n GLY 78 N 5.84 5.26 0.21 0.20 0.00 -1.26 -5.04 105.19 110.40 1xnt n GLY 78 Ca 0.31 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt h ALA 79 N 1.05 0.48 0.00 4.61 0.00 -1.89 -3.49 119.26 120.03 1xnt h ALA 79 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xnt h ALA 79 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xnt h ALA 79 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1xnt n GLY 80 N -0.16 0.45 0.22 0.00 0.00 -1.26 -4.70 105.19 99.74 1xnt n GLY 80 Ca -0.02 -1.03 0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.07 1.61 4.11 -2.00 -2.82 114.58 114.40 1xnt h GLU 81 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 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 0.24 0.67 1.04 0.07 0.00 0.00 179.01 181.03 1xnt n GLN 82 N -3.54 2.28 -2.16 1.06 6.02 -1.26 -4.29 117.38 115.49 1xnt n GLN 82 Ca -0.01 -2.73 -0.04 0.00 -0.01 0.00 0.00 57.00 54.22 1xnt n GLN 82 Cb 0.39 -2.07 0.05 0.00 1.02 0.00 0.00 30.24 29.64 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xnt n ASP 83 N -0.75 2.23 -3.80 1.08 2.03 -1.07 -4.83 116.55 111.44 1xnt n ASP 83 Ca 0.53 -2.60 -0.18 0.00 0.52 0.00 0.00 54.79 53.06 1xnt n ASP 83 Cb 1.06 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 41.03 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 -0.45 -0.36 -4.58 -0.67 4.02 -1.26 -4.65 117.16 109.20 1xnt n TYR 84 Ca 0.16 -1.54 -0.24 0.00 -0.01 0.00 0.00 57.90 56.27 1xnt n TYR 84 Cb 0.90 -0.27 -0.16 0.00 -0.02 0.00 0.00 39.34 39.79 1xnt n TYR 84 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1xnt s GLU 85 N -3.37 1.54 -0.93 -0.72 0.41 0.19 -4.89 118.70 110.93 1xnt s GLU 85 Ca 0.13 -0.42 -0.26 0.00 -0.41 0.00 0.00 54.97 54.02 1xnt s GLU 85 Cb -0.01 -1.32 -0.15 0.00 -1.78 0.00 0.00 34.13 30.87 1xnt s GLU 85 CO 0.09 0.08 2.22 0.08 -0.49 0.00 0.00 175.26 177.24 1xnt s VAL 86 N 0.46 3.11 0.08 2.63 1.01 -1.26 -0.89 120.40 125.54 1xnt s VAL 86 Ca -0.10 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1xnt s VAL 86 Cb -0.14 -3.57 -0.16 0.00 0.00 0.00 0.00 36.38 32.51 1xnt s VAL 86 CO 0.03 -0.23 1.70 0.25 0.00 0.00 0.00 175.10 176.85 1xnt h LEU 87 N 21.55 -0.19 -7.34 3.92 5.85 -1.82 -3.41 115.31 133.87 1xnt h LEU 87 Ca 0.03 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.46 1xnt h LEU 87 Cb 1.00 0.05 -0.35 0.00 0.37 0.00 0.00 40.66 41.72 1xnt h LEU 87 CO 1.05 -0.13 -0.66 -1.48 -0.34 0.00 0.00 178.44 176.88 1xnt s LEU 88 N -10.14 0.28 0.00 2.25 2.34 -0.69 -1.41 118.68 111.31 1xnt s LEU 88 Ca -0.14 0.25 -0.07 0.00 0.06 0.00 0.00 54.13 54.23 1xnt s LEU 88 Cb 0.05 0.18 0.11 0.00 -0.56 0.00 0.00 46.19 45.98 1xnt s LEU 88 CO 0.65 -0.21 0.25 1.33 -1.06 0.00 0.00 176.35 177.31 1xnt n VAL 89 N 4.92 0.00 -1.93 1.48 0.24 -1.26 -1.54 118.33 120.24 1xnt n VAL 89 Ca -0.12 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.76 1xnt n VAL 89 Cb 0.50 -0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.25 2.99 -0.26 3.34 -1.32 -1.26 -4.13 115.64 113.75 1xnt s THR 90 Ca 0.19 0.48 -0.11 0.00 -1.21 0.00 0.00 61.69 61.04 1xnt s THR 90 Cb -0.03 -3.31 -0.05 0.00 -1.51 0.00 0.00 72.50 67.60 1xnt s THR 90 CO 0.16 0.00 0.20 -0.94 -2.21 0.00 0.00 174.62 171.83 1xnt s SER 91 N 2.26 6.08 -0.23 8.08 1.04 0.57 -4.65 113.70 126.84 1xnt s SER 91 Ca 0.73 0.06 -0.21 0.00 0.48 0.00 0.00 55.95 57.02 1xnt s SER 91 Cb -0.40 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 1xnt s SER 91 CO 0.32 -0.02 0.66 -0.94 0.98 0.00 0.00 173.24 174.24 1xnt s SER 92 N 1.48 6.66 0.00 7.02 1.04 -1.25 -0.79 113.70 127.86 1xnt s SER 92 Ca 0.08 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1xnt s SER 92 Cb -0.15 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1xnt s SER 92 CO 0.08 -0.35 0.00 0.49 0.98 0.00 0.00 173.24 174.44 1xnt n PHE 93 N 5.47 0.00 -4.64 5.02 3.72 0.39 -4.99 117.46 122.44 1xnt n PHE 93 Ca -0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 1xnt n PHE 93 Cb 0.49 0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.66 0.96 -4.34 -1.08 2.81 -1.25 -5.05 117.12 106.50 1xnt n MET 94 Ca 0.00 -3.12 -0.29 0.00 -1.81 0.00 0.00 57.70 52.48 1xnt n MET 94 Cb 0.49 0.85 -0.05 0.00 -0.71 0.00 0.00 33.22 33.80 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 -3.35 4.35 -0.02 7.83 1.04 -1.26 -4.64 113.70 117.66 1xnt s SER 95 Ca 0.00 -1.42 0.08 0.00 0.48 0.00 0.00 55.95 55.09 1xnt s SER 95 Cb 0.00 0.33 0.24 0.00 0.10 0.00 0.00 66.02 66.69 1xnt s SER 95 CO 0.00 -0.90 1.15 -0.81 0.98 0.00 0.00 173.24 173.66 1xnt n PRO 96 N -1.45 1.76 0.02 4.02 -0.04 -1.26 -3.76 135.00 134.30 1xnt n PRO 96 Ca -0.10 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1xnt n PRO 96 Cb 0.66 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.26 0.45 0.28 3.54 3.41 -1.26 -4.68 113.62 115.63 1xnt n SER 97 Ca 0.09 0.06 0.19 0.00 -0.26 0.00 0.00 58.87 58.95 1xnt n SER 97 Cb 0.29 -0.13 0.99 0.00 -0.26 0.00 0.00 64.21 65.10 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 0.00 0.00 -0.82 4.33 4.11 -1.87 -2.66 114.58 117.67 1xnt h GLU 98 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.56 1xnt h GLU 98 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1xnt h GLU 98 CO 0.00 0.00 0.53 1.03 0.07 0.00 0.00 179.01 180.64 1xnt h SER 99 N 0.00 0.57 0.00 3.06 0.87 -1.73 -2.44 113.55 113.88 1xnt h SER 99 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1xnt h SER 99 Cb 0.05 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1xnt h SER 99 CO 0.00 0.31 0.00 0.54 -0.53 0.00 0.00 176.83 177.15 1xnt n ARG 100 N -4.52 0.00 -2.11 2.24 1.74 -1.00 -4.42 116.66 108.59 1xnt n ARG 100 Ca 0.15 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.20 1xnt n ARG 100 Cb 0.44 -0.56 0.07 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.37 -1.16 0.11 0.55 2.88 -1.24 -4.67 113.62 109.73 1xnt n SER 101 Ca 0.00 -1.96 0.07 0.00 -1.33 0.00 0.00 58.87 55.65 1xnt n SER 101 Cb 0.00 0.51 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.64 0.00 0.00 0.46 0.00 -1.74 -3.48 103.07 98.95 1xnt h GLY 102 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 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 -2.91 0.00 -4.00 0.19 7.64 -1.26 -4.97 113.62 108.31 1xnt n SER 103 Ca -0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.54 1xnt n SER 103 Cb 0.66 0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.78 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 1.12 4.72 0.47 6.43 2.20 -1.26 -4.90 114.94 123.72 1xnt s ASN 104 Ca 0.00 -3.08 0.26 0.00 -0.94 0.00 0.00 52.86 49.10 1xnt s ASN 104 Cb 0.00 -1.72 0.64 0.00 -2.00 0.00 0.00 41.25 38.17 1xnt s ASN 104 CO 0.00 -0.26 1.72 1.55 -2.94 0.00 0.00 177.10 177.17 1xnt h PRO 105 N 6.54 0.00 -3.47 3.55 0.13 -1.65 -3.37 132.00 133.72 1xnt h PRO 105 Ca -0.03 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.86 1xnt h PRO 105 Cb 0.89 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.72 1xnt h PRO 105 CO 0.71 0.00 -0.65 -0.80 -0.23 0.00 0.00 178.00 177.03 1xnt s ASN 106 N -6.02 -0.05 -0.04 1.44 0.02 -1.26 -2.51 114.94 106.52 1xnt s ASN 106 Ca 0.05 0.16 -0.31 0.00 -1.02 0.00 0.00 52.86 51.75 1xnt s ASN 106 Cb 0.06 0.10 0.07 0.00 0.02 0.00 0.00 41.25 41.50 1xnt s ASN 106 CO 0.63 -0.08 0.68 -0.60 0.02 0.00 0.00 177.10 177.75 1xnt s ARG 107 N 0.58 1.07 0.34 -0.60 6.06 -0.97 -4.99 118.95 120.44 1xnt s ARG 107 Ca -0.04 0.22 0.08 0.00 -2.50 0.00 0.00 55.73 53.48 1xnt s ARG 107 Cb -0.06 0.50 -0.03 0.00 0.06 0.00 0.00 34.95 35.42 1xnt s ARG 107 CO -0.02 -0.34 0.28 0.14 -2.50 0.00 0.00 175.30 172.85 1xnt s VAL 108 N -1.32 3.46 0.07 7.11 -7.23 -1.26 -0.22 120.40 121.00 1xnt s VAL 108 Ca -0.10 -1.41 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 1xnt s VAL 108 Cb -0.00 -3.16 0.04 0.00 0.56 0.00 0.00 36.38 33.82 1xnt s VAL 108 CO 0.09 -0.17 0.44 -0.60 -0.31 0.00 0.00 175.10 174.54 1xnt s ARG 109 N -3.98 0.99 0.28 4.82 6.06 -0.37 -4.77 118.95 121.98 1xnt s ARG 109 Ca 0.41 -0.42 0.05 0.00 -2.50 0.00 0.00 55.73 53.27 1xnt s ARG 109 Cb -0.05 0.44 -0.06 0.00 0.06 0.00 0.00 34.95 35.34 1xnt s ARG 109 CO 0.26 -0.36 -0.00 -1.64 -2.50 0.00 0.00 175.30 171.06 1xnt s MET 110 N -2.80 1.53 0.14 5.12 -1.94 -1.26 -1.57 119.30 118.52 1xnt s MET 110 Ca -0.03 -1.81 0.04 0.00 -1.71 0.00 0.00 55.69 52.19 1xnt s MET 110 Cb -0.00 -0.91 -0.04 0.00 2.01 0.00 0.00 34.83 35.88 1xnt s MET 110 CO -0.05 -0.08 -0.10 -0.06 -0.01 0.00 0.00 175.02 174.72 1xnt s PHE 111 N -3.22 1.25 0.00 -0.03 0.40 0.13 -4.96 117.98 111.55 1xnt s PHE 111 Ca 0.32 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1xnt s PHE 111 Cb 0.06 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.95 1xnt s PHE 111 CO 0.12 0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.53 1xnt n GLY 112 N -0.06 5.31 0.21 4.36 0.00 -1.26 -0.86 105.19 112.89 1xnt n GLY 112 Ca -0.11 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.34 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 0.74 0.00 1.61 0.13 -1.30 -3.09 132.00 130.09 1xnt h PRO 113 Ca 0.00 -0.69 -0.04 0.00 -0.87 0.00 0.00 66.00 64.40 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 1.28 -0.20 0.22 -0.23 0.00 0.00 178.00 179.07 1xnt h ASP 114 N 0.47 0.00 -0.15 1.44 1.82 -1.97 -1.66 116.42 116.38 1xnt h ASP 114 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1xnt h ASP 114 Cb 1.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.55 1xnt h ASP 114 CO 0.18 0.20 0.00 1.17 -1.61 0.00 0.00 179.24 179.18 1xnt n LYS 115 N -3.88 1.84 -5.09 0.28 4.81 -1.19 -4.86 118.16 110.06 1xnt n LYS 115 Ca -0.02 -1.24 -0.28 0.00 -0.87 0.00 0.00 58.31 55.89 1xnt n LYS 115 Cb 0.30 -1.43 -0.16 0.00 0.02 0.00 0.00 35.03 33.75 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1xnt s LEU 116 N -1.69 2.04 0.22 3.14 0.05 -0.62 -4.25 118.68 117.55 1xnt s LEU 116 Ca 0.34 -0.41 -0.32 0.00 0.05 0.00 0.00 54.13 53.80 1xnt s LEU 116 Cb 0.19 -1.15 -0.12 0.00 -2.05 0.00 0.00 46.19 43.07 1xnt s LEU 116 CO 0.29 0.26 1.71 0.54 -0.55 0.00 0.00 176.35 178.60 1xnt s VAL 117 N -0.46 2.02 0.22 1.48 0.11 -0.50 -4.83 120.40 118.44 1xnt s VAL 117 Ca 0.07 0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.23 1xnt s VAL 117 Cb -0.09 -3.01 -0.09 0.00 -1.53 0.00 0.00 36.38 31.66 1xnt s VAL 117 CO -0.00 0.00 1.50 0.03 -3.33 0.00 0.00 175.10 173.30 1xnt h ARG 118 N 6.58 0.01 0.00 1.54 -0.00 -1.93 0.82 114.38 121.40 1xnt h ARG 118 Ca -0.43 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.03 1xnt h ARG 118 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.17 1xnt h ARG 118 CO 0.94 0.75 -0.05 0.00 0.00 0.00 0.00 179.97 181.61 1xnt h ALA 119 N 1.25 1.05 0.00 0.04 0.00 -2.00 -3.16 119.26 116.44 1xnt h ALA 119 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xnt h ALA 119 Cb 1.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1xnt h ALA 119 CO 0.10 0.07 -1.32 0.00 0.00 0.00 0.00 179.25 178.10 1xnt n ALA 120 N -2.14 2.37 -0.33 0.00 0.00 -1.13 -4.58 120.51 114.70 1xnt n ALA 120 Ca -0.01 -0.23 0.20 0.00 0.00 0.00 0.00 53.44 53.40 1xnt n ALA 120 Cb 0.27 0.41 0.45 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.14 2.02 -0.02 0.00 0.00 0.55 0.85 119.26 122.52 1xnt h ALA 121 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xnt h ALA 121 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xnt h ALA 121 CO -0.06 -0.45 0.00 -0.85 0.00 0.00 0.00 179.25 177.89 1xnt n GLU 122 N -4.74 1.15 -3.47 0.00 -0.00 -1.19 -0.71 120.64 111.68 1xnt n GLU 122 Ca 0.26 -0.22 -0.38 0.00 -0.00 0.00 0.00 57.16 56.82 1xnt n GLU 122 Cb 0.80 -1.37 -0.06 0.00 -0.00 0.00 0.00 31.44 30.81 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 -1.97 4.10 -0.21 3.44 1.02 0.29 -4.85 119.74 121.56 1xnt s LYS 123 Ca 0.35 0.34 -0.29 0.00 0.02 0.00 0.00 55.97 56.39 1xnt s LYS 123 Cb 0.16 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1xnt s LYS 123 CO 0.27 0.44 1.80 1.03 -0.92 0.00 0.00 175.35 177.97 1xnt s ARG 124 N -0.24 3.63 0.31 1.68 0.52 -1.26 -4.28 118.95 119.31 1xnt s ARG 124 Ca 0.23 1.79 0.10 0.00 -0.52 0.00 0.00 55.73 57.33 1xnt s ARG 124 Cb -0.15 -4.14 -0.05 0.00 0.52 0.00 0.00 34.95 31.12 1xnt s ARG 124 CO 0.10 -1.51 -0.08 -1.58 0.02 0.00 0.00 175.30 172.25 1xnt s TRP 125 N 6.00 2.46 -0.00 -0.53 0.52 0.12 -4.71 118.94 122.80 1xnt s TRP 125 Ca 0.80 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.53 1xnt s TRP 125 Cb -0.28 -1.28 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 1xnt s TRP 125 CO 0.33 0.59 0.73 -0.40 0.02 0.00 0.00 176.95 178.22 1xnt n ASP 126 N -0.81 0.15 -3.78 2.95 5.75 -0.48 -0.57 116.55 119.75 1xnt n ASP 126 Ca -0.05 -1.49 -0.12 0.00 -0.01 0.00 0.00 54.79 53.12 1xnt n ASP 126 Cb 0.62 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.53 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1xnt s ARG 127 N -0.12 0.67 -0.00 0.11 0.52 -0.26 -0.50 118.95 119.36 1xnt s ARG 127 Ca 0.01 -0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 54.88 1xnt s ARG 127 Cb 0.01 0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.77 1xnt s ARG 127 CO 0.00 -0.19 0.05 0.54 0.02 0.00 0.00 175.30 175.72 1xnt s VAL 128 N -1.65 0.05 -0.27 3.52 0.11 -0.51 -1.98 120.40 119.67 1xnt s VAL 128 Ca -0.12 -0.43 -0.07 0.00 -2.93 0.00 0.00 61.98 58.43 1xnt s VAL 128 Cb -0.04 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1xnt s VAL 128 CO 0.02 -0.24 0.07 -0.75 -3.33 0.00 0.00 175.10 170.87 1xnt s LYS 129 N -0.73 3.37 -0.25 1.54 2.20 -0.44 0.43 119.74 125.87 1xnt s LYS 129 Ca -0.08 -0.67 -0.06 0.00 -0.36 0.00 0.00 55.97 54.80 1xnt s LYS 129 Cb -0.05 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1xnt s LYS 129 CO 0.00 -0.31 0.04 0.42 -0.36 0.00 0.00 175.35 175.14 1xnt s ILE 130 N 1.55 4.02 -0.12 5.43 -1.09 0.89 -1.18 121.20 130.70 1xnt s ILE 130 Ca 0.05 -0.33 -0.00 0.00 -2.23 0.00 0.00 60.65 58.13 1xnt s ILE 130 Cb -0.16 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1xnt s ILE 130 CO 0.03 0.32 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.27 1xnt s VAL 131 N 1.56 1.18 0.21 2.92 1.01 -0.50 0.70 120.40 127.49 1xnt s VAL 131 Ca 0.06 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 1xnt s VAL 131 Cb -0.15 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 1xnt s VAL 131 CO 0.02 0.39 0.58 0.00 0.00 0.00 0.00 175.10 176.08 1xnt s SER 133 N -2.12 0.03 0.00 0.00 0.01 0.20 -1.47 113.70 110.36 1xnt s SER 133 Ca 0.45 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1xnt s SER 133 Cb -0.12 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1xnt s SER 133 CO 0.20 -0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.66 1xnt n GLN 134 N 4.60 0.00 -2.76 12.44 6.02 0.60 -1.03 117.38 137.25 1xnt n GLN 134 Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 1xnt n GLN 134 Cb 0.52 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.74 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1xnt s PRO 135 N -2.41 3.23 -0.03 -1.09 0.04 -1.23 -3.75 135.00 129.76 1xnt s PRO 135 Ca 0.00 -0.82 0.05 0.00 0.04 0.00 0.00 61.00 60.27 1xnt s PRO 135 Cb 0.00 -4.40 0.07 0.00 0.04 0.00 0.00 34.50 30.21 1xnt s PRO 135 CO 0.00 -1.93 0.92 2.48 0.04 0.00 0.00 177.00 178.50 1xnt n TYR 136 N 8.11 0.00 -3.48 0.56 0.18 -0.89 -4.79 117.16 116.85 1xnt n TYR 136 Ca 0.05 -0.41 0.00 0.00 1.88 0.00 0.00 57.90 59.42 1xnt n TYR 136 Cb 0.47 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 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 -0.52 0.00 0.00 9.48 2.88 -1.26 -4.79 113.62 119.41 1xnt n SER 137 Ca 0.04 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1xnt n SER 137 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.04 -1.46 4.81 -1.26 -4.43 118.16 115.79 1xnt n LYS 138 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1xnt n LYS 138 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 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 -1.06 3.32 -4.78 3.14 5.68 -1.26 -3.30 116.55 118.29 1xnt n ASP 139 Ca 0.00 -0.01 -0.31 0.00 -0.50 0.00 0.00 54.79 53.97 1xnt n ASP 139 Cb 0.00 0.42 -0.06 0.00 -1.14 0.00 0.00 41.12 40.33 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 -4.15 5.56 0.87 -1.12 1.04 -1.26 -4.63 113.70 110.01 1xnt s SER 140 Ca -0.06 0.00 -0.08 0.00 0.48 0.00 0.00 55.95 56.29 1xnt s SER 140 Cb 0.02 -1.50 0.17 0.00 0.10 0.00 0.00 66.02 64.81 1xnt s SER 140 CO 0.26 0.18 1.05 -0.81 0.98 0.00 0.00 173.24 174.89 1xnt n PRO 141 N 0.48 -0.65 -3.01 4.02 -0.04 -1.26 -3.74 135.00 130.81 1xnt n PRO 141 Ca -0.09 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1xnt n PRO 141 Cb 0.52 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1xnt n PRO 141 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xnt n PHE 142 N -3.21 0.00 0.00 0.54 3.72 -1.26 -4.91 117.46 112.34 1xnt n PHE 142 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1xnt n PHE 142 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 -0.48 3.20 1.37 0.00 -1.24 -1.30 105.19 106.74 1xnt n GLY 143 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 2.31 0.33 0.99 -0.00 -1.21 -1.22 118.68 119.89 1xnt s LEU 144 Ca 0.00 -1.08 0.24 0.00 -0.00 0.00 0.00 54.13 53.28 1xnt s LEU 144 Cb 0.00 -0.06 0.38 0.00 -0.00 0.00 0.00 46.19 46.52 1xnt s LEU 144 CO 0.00 -0.52 1.53 0.28 -0.00 0.00 0.00 176.35 177.65 1xnt h SER 145 N 2.84 0.00 0.00 1.48 0.02 -1.41 -1.88 113.55 114.60 1xnt h SER 145 Ca -0.36 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1xnt h SER 145 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1xnt h SER 145 CO 0.64 0.01 0.00 2.22 -1.14 0.00 0.00 176.83 178.55 1xnt n PHE 146 N -2.78 0.00 -3.89 3.45 -1.74 -1.24 -4.44 117.46 106.82 1xnt n PHE 146 Ca 0.04 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.81 1xnt n PHE 146 Cb 0.51 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.37 1xnt n PHE 146 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1xnt s VAL 147 N -2.00 0.02 0.16 1.97 -7.23 -1.26 -1.73 120.40 110.33 1xnt s VAL 147 Ca 0.00 -0.20 -0.09 0.00 -1.81 0.00 0.00 61.98 59.88 1xnt s VAL 147 Cb 0.00 -0.09 -0.01 0.00 0.56 0.00 0.00 36.38 36.84 1xnt s VAL 147 CO 0.00 -0.11 0.28 -0.13 -0.31 0.00 0.00 175.10 174.83 1xnt s ARG 148 N -0.32 1.15 0.04 4.82 0.52 0.30 -4.91 118.95 120.55 1xnt s ARG 148 Ca -0.04 -1.16 -0.08 0.00 -0.52 0.00 0.00 55.73 53.94 1xnt s ARG 148 Cb -0.02 0.38 -0.00 0.00 0.52 0.00 0.00 34.95 35.82 1xnt s ARG 148 CO -0.00 -0.42 0.15 -0.06 0.02 0.00 0.00 175.30 174.99 1xnt s PHE 149 N -3.96 0.12 -0.13 -0.53 0.08 -1.26 -1.36 117.98 110.94 1xnt s PHE 149 Ca 0.17 -0.37 -0.27 0.00 0.12 0.00 0.00 56.93 56.58 1xnt s PHE 149 Cb 0.03 -0.08 0.06 0.00 -0.57 0.00 0.00 43.02 42.47 1xnt s PHE 149 CO -0.01 -0.39 0.65 -3.38 -0.10 0.00 0.00 175.22 171.99 1xnt s HIS 150 N -2.54 -0.65 0.00 0.36 -3.43 0.17 -2.22 115.29 106.98 1xnt s HIS 150 Ca -0.05 1.33 0.00 0.00 -0.80 0.00 0.00 55.06 55.54 1xnt s HIS 150 Cb -0.01 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 1xnt s HIS 150 CO -0.04 -0.49 0.49 -1.13 -2.00 0.00 0.00 174.74 171.58