#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 3.39 0.29 2.12 0.04 -1.26 -4.96 135.00 134.61 1xnt s PRO 2 Ca 0.00 -1.18 -0.20 0.00 0.04 0.00 0.00 61.00 59.66 1xnt s PRO 2 Cb 0.00 -4.69 0.03 0.00 0.04 0.00 0.00 34.50 29.88 1xnt s PRO 2 CO 0.00 -1.90 0.76 -1.83 0.04 0.00 0.00 177.00 174.06 1xnt s GLU 3 N 3.87 1.82 -0.11 4.56 -1.05 -1.21 -4.53 118.70 122.03 1xnt s GLU 3 Ca 0.32 -1.04 -0.05 0.00 -0.15 0.00 0.00 54.97 54.04 1xnt s GLU 3 Cb -0.08 0.59 0.06 0.00 -0.44 0.00 0.00 34.13 34.25 1xnt s GLU 3 CO -0.00 -0.84 0.24 0.42 0.95 0.00 0.00 175.26 176.03 1xnt s ILE 4 N -3.55 -0.25 0.35 1.83 1.01 -0.54 -4.29 121.20 115.76 1xnt s ILE 4 Ca 0.12 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.08 1xnt s ILE 4 Cb -0.05 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1xnt s ILE 4 CO 0.07 0.10 0.43 -0.13 0.00 0.00 0.00 174.94 175.42 1xnt s ARG 5 N 1.95 2.94 -0.10 2.79 0.52 -1.26 -3.58 118.95 122.21 1xnt s ARG 5 Ca -0.03 -1.15 -0.09 0.00 -0.52 0.00 0.00 55.73 53.93 1xnt s ARG 5 Cb -0.11 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.62 1xnt s ARG 5 CO -0.08 0.01 0.22 -1.17 0.02 0.00 0.00 175.30 174.29 1xnt s LEU 6 N -4.15 4.39 -0.18 2.53 1.98 -1.26 -3.80 118.68 118.19 1xnt s LEU 6 Ca 0.46 0.59 -0.15 0.00 -2.89 0.00 0.00 54.13 52.14 1xnt s LEU 6 Cb -0.08 -2.22 -0.09 0.00 0.66 0.00 0.00 46.19 44.46 1xnt s LEU 6 CO 0.30 0.36 -0.13 -1.14 -1.89 0.00 0.00 176.35 173.85 1xnt n ARG 7 N 2.11 0.51 -3.46 1.98 3.00 -0.82 -4.85 116.66 115.12 1xnt n ARG 7 Ca -0.18 0.45 -0.11 0.00 -0.00 0.00 0.00 57.85 58.01 1xnt n ARG 7 Cb 0.54 -1.64 -0.02 0.00 0.00 0.00 0.00 32.46 31.34 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 -2.43 -0.49 -0.98 -0.14 -3.43 -1.23 -5.02 115.29 101.57 1xnt s HIS 8 Ca -0.24 0.28 -0.24 0.00 -0.80 0.00 0.00 55.06 54.06 1xnt s HIS 8 Cb 0.05 0.57 0.04 0.00 -1.43 0.00 0.00 32.58 31.81 1xnt s HIS 8 CO 0.39 -0.83 1.46 0.54 -2.00 0.00 0.00 174.74 174.29 1xnt s VAL 9 N -3.67 3.87 0.13 -5.38 0.11 -1.26 -0.50 120.40 113.70 1xnt s VAL 9 Ca 0.02 -0.61 -0.28 0.00 -2.93 0.00 0.00 61.98 58.18 1xnt s VAL 9 Cb -0.01 -4.99 -0.06 0.00 -1.53 0.00 0.00 36.38 29.79 1xnt s VAL 9 CO -0.11 -1.88 1.60 1.62 -3.33 0.00 0.00 175.10 172.99 1xnt h VAL 10 N 6.73 0.22 -3.24 2.04 3.04 -1.68 -3.43 116.25 119.93 1xnt h VAL 10 Ca 0.14 0.00 -0.55 0.00 -1.01 0.00 0.00 66.70 65.28 1xnt h VAL 10 Cb 1.02 0.22 -0.18 0.00 -2.01 0.00 0.00 31.29 30.34 1xnt h VAL 10 CO 1.40 0.00 -0.79 -0.55 -1.01 0.00 0.00 177.57 176.62 1xnt s SER 11 N -4.84 2.83 -0.10 3.17 0.15 -0.38 -5.01 113.70 109.53 1xnt s SER 11 Ca -0.16 -0.87 -0.07 0.00 0.70 0.00 0.00 55.95 55.56 1xnt s SER 11 Cb 0.09 -0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.26 1xnt s SER 11 CO 0.65 -0.01 0.25 0.00 1.20 0.00 0.00 173.24 175.33 1xnt n SER 13 N 3.67 3.23 0.00 0.00 2.88 0.18 -4.88 113.62 118.70 1xnt n SER 13 Ca -0.20 -3.18 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 1xnt n SER 13 Cb 0.55 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.37 0.00 -4.04 -3.46 7.64 -1.18 -2.01 113.62 110.20 1xnt n SER 14 Ca 0.25 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.97 1xnt n SER 14 Cb 0.77 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.64 0.13 1.43 1.03 -1.26 -3.85 119.66 117.78 1xnt s GLN 15 Ca 0.00 -0.47 -0.01 0.00 0.04 0.00 0.00 55.36 54.92 1xnt s GLN 15 Cb 0.00 -0.58 -0.04 0.00 0.03 0.00 0.00 33.01 32.42 1xnt s GLN 15 CO 0.00 0.15 0.31 -0.51 -2.54 0.00 0.00 175.29 172.70 1xnt s ASP 16 N -0.69 6.39 0.07 12.60 1.01 -0.37 -2.99 116.67 132.69 1xnt s ASP 16 Ca -0.00 0.37 -0.29 0.00 0.71 0.00 0.00 52.55 53.33 1xnt s ASP 16 Cb -0.05 -2.00 -0.18 0.00 1.01 0.00 0.00 42.92 41.70 1xnt s ASP 16 CO 0.00 0.06 1.61 0.28 0.21 0.00 0.00 175.17 177.33 1xnt h SER 17 N 2.57 -0.49 0.69 0.27 0.02 -1.90 0.33 113.55 115.04 1xnt h SER 17 Ca -0.47 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1xnt h SER 17 Cb 1.17 0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.85 1xnt h SER 17 CO 0.72 -0.31 -0.33 0.71 -1.14 0.00 0.00 176.83 176.47 1xnt h THR 18 N -0.63 0.30 -3.30 -2.27 1.35 -1.97 -3.31 112.91 103.09 1xnt h THR 18 Ca -0.06 -0.07 -0.73 0.00 -0.55 0.00 0.00 66.41 65.00 1xnt h THR 18 Cb 0.47 0.32 -0.33 0.00 -1.73 0.00 0.00 68.15 66.88 1xnt h THR 18 CO 0.10 0.01 0.11 1.41 -0.25 0.00 0.00 175.52 176.90 1xnt n HIS 19 N -5.47 4.35 -2.43 4.73 8.25 -1.21 -5.03 115.22 118.41 1xnt n HIS 19 Ca -0.14 -3.96 -0.27 0.00 -0.26 0.00 0.00 57.72 53.10 1xnt n HIS 19 Cb 0.38 -1.28 0.02 0.00 1.12 0.00 0.00 29.99 30.23 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 -0.09 1.05 0.00 0.00 0.00 -1.87 -1.31 119.26 117.05 1xnt h ALA 21 Ca -0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xnt h ALA 21 Cb 1.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xnt h ALA 21 CO 0.61 0.02 -0.01 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 -1.95 -0.93 114.58 116.51 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 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xnt h GLU 22 CO 0.00 0.01 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xnt h ASN 23 N 0.00 0.00 0.40 1.04 2.35 -1.54 -1.08 115.58 116.75 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 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1xnt h ASN 23 CO 0.00 0.00 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.63 1xnt h LEU 24 N 0.00 0.00 -2.44 1.61 3.38 -1.36 -1.19 115.31 115.31 1xnt h LEU 24 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1xnt h LEU 24 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xnt h LEU 24 CO 0.00 0.08 0.16 -0.07 0.09 0.00 0.00 178.44 178.70 1xnt h LEU 25 N 0.00 0.00 -5.91 1.67 -0.00 -1.38 -2.73 115.31 106.96 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 0.30 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.55 1xnt h LEU 25 CO 0.01 0.00 -0.52 0.29 -0.00 0.00 0.00 178.44 178.22 1xnt n LYS 26 N -3.33 2.93 0.03 1.13 5.02 -0.45 -4.88 118.16 118.61 1xnt n LYS 26 Ca -0.01 -4.74 0.22 0.00 -2.02 0.00 0.00 58.31 51.76 1xnt n LYS 26 Cb 0.24 -2.27 0.73 0.00 -0.02 0.00 0.00 35.03 33.71 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xnt h ALA 27 N 3.80 2.28 -2.25 7.82 0.00 -1.66 -2.88 119.26 126.38 1xnt h ALA 27 Ca 0.18 -0.02 -0.78 0.00 0.00 0.00 0.00 54.91 54.30 1xnt h ALA 27 Cb 0.60 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.12 1xnt h ALA 27 CO 0.86 -0.75 0.46 -3.47 0.00 0.00 0.00 179.25 176.35 1xnt n ASP 28 N -3.84 5.66 0.00 0.00 2.03 -1.26 -4.78 116.55 114.36 1xnt n ASP 28 Ca 0.10 -3.27 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1xnt n ASP 28 Cb 0.70 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 1xnt n ASP 28 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1xnt n THR 29 N 1.80 0.00 0.00 5.18 -1.04 -1.09 -5.09 114.28 114.04 1xnt n THR 29 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1xnt n THR 29 Cb 0.36 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xnt n TYR 30 N 0.00 0.00 -3.51 -1.42 0.18 -1.26 -5.11 117.16 106.03 1xnt n TYR 30 Ca 0.00 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.52 1xnt n TYR 30 Cb 0.00 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.82 1xnt n TYR 30 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1xnt s ARG 31 N 0.00 0.21 0.29 -3.48 1.81 -1.26 -5.13 118.95 111.39 1xnt s ARG 31 Ca 0.00 -0.43 -0.20 0.00 -1.72 0.00 0.00 55.73 53.38 1xnt s ARG 31 Cb 0.00 -1.07 -0.09 0.00 -0.45 0.00 0.00 34.95 33.34 1xnt s ARG 31 CO 0.00 -1.01 0.81 0.15 -0.68 0.00 0.00 175.30 174.57 1xnt s LYS 32 N 2.16 4.27 -0.13 3.54 1.02 -1.26 -4.45 119.74 124.89 1xnt s LYS 32 Ca 0.09 0.97 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 1xnt s LYS 32 Cb -0.16 -2.67 -0.06 0.00 -0.52 0.00 0.00 37.83 34.43 1xnt s LYS 32 CO -0.35 0.26 1.97 -0.46 -0.92 0.00 0.00 175.35 175.85 1xnt s TRP 33 N -1.73 1.45 -0.14 3.18 -0.00 0.13 -4.76 118.94 117.08 1xnt s TRP 33 Ca 0.50 0.18 0.01 0.00 -0.00 0.00 0.00 56.10 56.79 1xnt s TRP 33 Cb -0.15 -4.06 -0.00 0.00 -0.00 0.00 0.00 33.47 29.26 1xnt s TRP 33 CO 0.20 -4.32 -0.17 1.03 -0.00 0.00 0.00 176.95 173.69 1xnt s ARG 34 N 5.24 3.20 1.08 5.86 0.52 -1.09 -2.40 118.95 131.36 1xnt s ARG 34 Ca 0.88 -0.77 -0.20 0.00 -0.52 0.00 0.00 55.73 55.12 1xnt s ARG 34 Cb -0.34 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 32.61 1xnt s ARG 34 CO 0.36 0.08 -0.33 0.00 0.02 0.00 0.00 175.30 175.43 1xnt n ALA 35 N 3.86 -4.45 0.08 2.13 0.00 -0.58 -1.24 120.51 120.31 1xnt n ALA 35 Ca -0.19 -1.25 -0.07 0.00 0.00 0.00 0.00 53.44 51.93 1xnt n ALA 35 Cb 0.52 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.66 1xnt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 36 N -1.78 0.71 -4.45 0.00 0.00 -1.64 -3.06 119.26 109.03 1xnt h ALA 36 Ca -0.50 -0.62 -0.34 0.00 0.00 0.00 0.00 54.91 53.45 1xnt h ALA 36 Cb 1.36 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1xnt h ALA 36 CO 0.34 0.81 -0.26 1.17 0.00 0.00 0.00 179.25 181.31 1xnt n LYS 37 N -3.78 1.05 -0.59 0.00 4.81 -1.26 -4.72 118.16 113.68 1xnt n LYS 37 Ca -0.03 -1.99 0.00 0.00 -0.87 0.00 0.00 58.31 55.42 1xnt n LYS 37 Cb 0.70 0.78 0.00 0.00 0.02 0.00 0.00 35.03 36.53 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 -2.02 0.00 -3.15 3.14 0.00 -1.26 -4.32 120.51 112.90 1xnt n ALA 38 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1xnt n ALA 38 Cb 0.35 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.14 3.48 0.00 0.00 -1.15 -4.73 105.19 107.66 1xnt n GLY 39 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.48 0.08 -0.04 1.61 4.71 -1.26 -4.70 120.64 117.56 1xnt n GLU 40 Ca -0.12 -0.14 -0.03 0.00 -0.01 0.00 0.00 57.16 56.86 1xnt n GLU 40 Cb 0.59 -1.41 -0.01 0.00 -1.01 0.00 0.00 31.44 29.60 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 5.94 0.27 -3.45 3.49 4.81 -1.26 -3.13 118.16 124.84 1xnt n LYS 41 Ca 0.61 0.31 -0.08 0.00 -0.87 0.00 0.00 58.31 58.29 1xnt n LYS 41 Cb 0.20 -1.20 -0.08 0.00 0.02 0.00 0.00 35.03 33.98 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 -1.83 -0.66 0.03 3.15 -4.23 -1.26 -1.29 115.64 109.55 1xnt s THR 42 Ca -0.11 0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.46 1xnt s THR 42 Cb 0.02 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 1xnt s THR 42 CO 0.16 -0.04 -0.07 0.27 -0.54 0.00 0.00 174.62 174.40 1xnt s ILE 43 N 2.60 3.59 0.11 2.99 -4.36 0.23 -4.97 121.20 121.41 1xnt s ILE 43 Ca 0.08 -0.90 0.09 0.00 -0.26 0.00 0.00 60.65 59.66 1xnt s ILE 43 Cb -0.14 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 1xnt s ILE 43 CO -0.15 0.32 -0.22 -0.44 0.24 0.00 0.00 174.94 174.69 1xnt s SER 44 N -1.63 2.73 -0.26 4.36 0.01 -0.85 -0.15 113.70 117.91 1xnt s SER 44 Ca 0.18 -0.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 1xnt s SER 44 Cb -0.11 -0.16 0.15 0.00 0.21 0.00 0.00 66.02 66.10 1xnt s SER 44 CO 0.09 0.08 0.41 0.54 0.41 0.00 0.00 173.24 174.77 1xnt s VAL 45 N -1.22 -0.65 -0.23 3.43 0.11 0.18 0.51 120.40 122.53 1xnt s VAL 45 Ca 0.09 -0.12 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 1xnt s VAL 45 Cb -0.10 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1xnt s VAL 45 CO 0.05 -0.15 0.50 -0.69 -3.33 0.00 0.00 175.10 171.48 1xnt s VAL 46 N 2.57 5.10 0.17 2.04 1.01 0.15 -1.10 120.40 130.33 1xnt s VAL 46 Ca 0.13 0.88 0.04 0.00 0.00 0.00 0.00 61.98 63.02 1xnt s VAL 46 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1xnt s VAL 46 CO -0.20 0.14 0.25 -0.76 0.00 0.00 0.00 175.10 174.53 1xnt s LEU 47 N 1.96 4.19 -0.23 3.92 1.02 0.65 -1.25 118.68 128.94 1xnt s LEU 47 Ca 0.22 0.07 -0.05 0.00 0.02 0.00 0.00 54.13 54.39 1xnt s LEU 47 Cb -0.15 -2.76 -0.02 0.00 0.02 0.00 0.00 46.19 43.27 1xnt s LEU 47 CO 0.09 0.04 0.00 -1.58 0.02 0.00 0.00 176.35 174.92 1xnt s GLN 48 N -3.32 3.50 0.37 1.70 -0.44 0.34 -1.21 119.66 120.60 1xnt s GLN 48 Ca 0.34 -0.56 -0.26 0.00 -2.50 0.00 0.00 55.36 52.37 1xnt s GLN 48 Cb -0.10 -3.13 -0.09 0.00 -1.64 0.00 0.00 33.01 28.04 1xnt s GLN 48 CO 0.27 -0.18 1.15 -0.51 0.50 0.00 0.00 175.29 176.52 1xnt s LEU 49 N 1.51 4.26 0.00 3.68 1.43 0.09 -1.95 118.68 127.70 1xnt s LEU 49 Ca 0.06 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1xnt s LEU 49 Cb -0.15 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1xnt s LEU 49 CO -0.00 -0.55 1.03 -1.84 0.23 0.00 0.00 176.35 175.22 1xnt n GLU 50 N 0.30 0.92 0.00 1.70 0.28 -1.25 -4.74 120.64 117.85 1xnt n GLU 50 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1xnt n GLU 50 Cb 0.46 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 32.29 1xnt n GLU 50 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1xnt n LYS 51 N 0.67 0.00 -2.39 3.44 2.85 -1.26 -5.05 118.16 116.41 1xnt n LYS 51 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1xnt n LYS 51 Cb 0.46 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.82 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 -0.88 3.58 0.14 -1.58 2.12 -1.26 -4.57 118.70 116.25 1xnt s GLU 52 Ca 0.00 0.84 -0.02 0.00 0.36 0.00 0.00 54.97 56.15 1xnt s GLU 52 Cb 0.00 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1xnt s GLU 52 CO 0.00 -1.56 0.09 -1.83 -0.54 0.00 0.00 175.26 171.42 1xnt s GLU 53 N 4.90 0.97 0.72 4.30 4.04 0.09 -4.67 118.70 129.05 1xnt s GLU 53 Ca 0.59 -1.42 -0.12 0.00 0.04 0.00 0.00 54.97 54.06 1xnt s GLU 53 Cb -0.12 0.26 0.17 0.00 0.02 0.00 0.00 34.13 34.46 1xnt s GLU 53 CO 0.32 -0.29 0.87 1.04 -1.84 0.00 0.00 175.26 175.37 1xnt n GLN 54 N -0.12 -1.30 -3.75 -4.83 6.02 -1.26 -0.98 117.38 111.16 1xnt n GLN 54 Ca -0.05 -1.36 -0.14 0.00 -0.01 0.00 0.00 57.00 55.44 1xnt n GLN 54 Cb 0.64 -0.99 -0.15 0.00 1.02 0.00 0.00 30.24 30.76 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 -2.84 -0.05 -0.02 5.09 1.09 0.65 -4.54 121.20 120.58 1xnt s ILE 55 Ca 0.51 0.18 0.03 0.00 -1.10 0.00 0.00 60.65 60.27 1xnt s ILE 55 Cb -0.02 -0.23 -0.05 0.00 -1.06 0.00 0.00 42.46 41.11 1xnt s ILE 55 CO 0.37 0.07 0.04 1.57 -0.10 0.00 0.00 174.94 176.89 1xnt n HIS 56 N 4.18 0.00 -3.79 3.97 -0.00 -1.04 -4.48 115.22 114.06 1xnt n HIS 56 Ca -0.26 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.80 1xnt n HIS 56 Cb 0.52 -0.13 -0.08 0.00 -0.12 0.00 0.00 29.99 30.18 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 -0.08 0.11 0.26 0.01 -0.45 -1.35 113.70 109.17 1xnt s SER 57 Ca -0.01 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.09 1xnt s SER 57 Cb 0.01 0.31 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 1xnt s SER 57 CO 0.14 -0.54 -0.06 -0.69 0.41 0.00 0.00 173.24 172.50 1xnt s VAL 58 N -2.15 0.73 -0.02 3.43 1.01 -0.40 -1.03 120.40 121.97 1xnt s VAL 58 Ca -0.08 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 59.95 1xnt s VAL 58 Cb -0.03 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1xnt s VAL 58 CO -0.01 -0.83 0.01 -1.81 0.00 0.00 0.00 175.10 172.46 1xnt s ASP 59 N -3.07 0.24 -0.19 3.32 1.11 -0.49 -0.28 116.67 117.32 1xnt s ASP 59 Ca 0.13 -0.01 -0.09 0.00 0.18 0.00 0.00 52.55 52.76 1xnt s ASP 59 Cb 0.05 -0.12 0.07 0.00 1.07 0.00 0.00 42.92 43.99 1xnt s ASP 59 CO -0.04 -0.08 0.44 -0.63 1.18 0.00 0.00 175.17 176.04 1xnt s ILE 60 N 0.76 -0.15 -0.32 0.77 1.09 -0.48 0.12 121.20 123.00 1xnt s ILE 60 Ca -0.07 0.10 -0.10 0.00 -1.10 0.00 0.00 60.65 59.48 1xnt s ILE 60 Cb -0.10 -0.66 -0.00 0.00 -1.06 0.00 0.00 42.46 40.64 1xnt s ILE 60 CO -0.02 0.04 0.17 -0.83 -0.10 0.00 0.00 174.94 174.20 1xnt s GLY 61 N 1.66 1.89 0.27 6.18 0.00 -0.73 -0.76 107.32 115.83 1xnt s GLY 61 Ca -0.08 -1.45 -0.29 0.00 0.00 0.00 0.00 44.72 42.90 1xnt s GLY 61 CO -0.13 0.73 1.22 -1.31 0.00 0.00 0.00 173.10 173.61 1xnt s ASN 62 N 1.61 7.01 -0.45 1.64 -0.87 -0.98 -1.31 114.94 121.59 1xnt s ASN 62 Ca 0.04 2.44 0.04 0.00 -1.57 0.00 0.00 52.86 53.81 1xnt s ASN 62 Cb -0.17 -2.63 0.44 0.00 -0.02 0.00 0.00 41.25 38.87 1xnt s ASN 62 CO 0.07 -0.38 1.46 -0.67 -2.57 0.00 0.00 177.10 175.01 1xnt n ASP 63 N 1.48 5.80 0.00 -1.22 2.03 -0.60 -2.97 116.55 121.07 1xnt n ASP 63 Ca 0.01 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.56 1xnt n ASP 63 Cb 0.43 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 -0.72 2.27 1.23 0.27 0.00 -1.20 -4.48 105.19 102.56 1xnt n GLY 64 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xnt n SER 65 N 0.00 -2.54 0.00 1.61 3.41 -1.24 -4.74 113.62 110.12 1xnt n SER 65 Ca 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1xnt n SER 65 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 66 N -3.65 1.54 -3.20 7.33 0.00 -1.25 -4.21 120.51 117.07 1xnt n ALA 66 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1xnt n ALA 66 Cb 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.44 3.10 -0.25 0.00 0.08 0.62 0.53 117.98 120.61 1xnt s PHE 67 Ca 0.00 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.27 1xnt s PHE 67 Cb 0.00 -2.22 0.06 0.00 -0.57 0.00 0.00 43.02 40.28 1xnt s PHE 67 CO 0.00 -0.51 -0.11 0.08 -0.10 0.00 0.00 175.22 174.58 1xnt s VAL 68 N 1.53 2.11 0.04 -0.44 1.01 -0.58 0.72 120.40 124.79 1xnt s VAL 68 Ca 0.04 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 60.49 1xnt s VAL 68 Cb -0.16 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1xnt s VAL 68 CO 0.02 -0.00 0.03 -0.70 0.00 0.00 0.00 175.10 174.44 1xnt s GLU 69 N 1.14 2.77 -0.05 2.72 2.12 -0.49 0.25 118.70 127.15 1xnt s GLU 69 Ca -0.08 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1xnt s GLU 69 Cb -0.19 -2.66 0.02 0.00 0.26 0.00 0.00 34.13 31.56 1xnt s GLU 69 CO -0.06 0.59 -0.02 0.08 -0.54 0.00 0.00 175.26 175.31 1xnt s VAL 70 N -1.23 0.43 0.22 3.70 1.01 -0.60 -0.93 120.40 123.00 1xnt s VAL 70 Ca 0.24 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1xnt s VAL 70 Cb -0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1xnt s VAL 70 CO 0.16 0.23 0.01 -0.76 0.00 0.00 0.00 175.10 174.74 1xnt s LEU 71 N 1.34 3.29 0.23 3.92 1.02 -0.37 -1.69 118.68 126.43 1xnt s LEU 71 Ca -0.05 -0.50 0.12 0.00 0.02 0.00 0.00 54.13 53.71 1xnt s LEU 71 Cb -0.13 -1.87 -0.05 0.00 0.02 0.00 0.00 46.19 44.16 1xnt s LEU 71 CO -0.02 0.04 -0.22 0.68 0.02 0.00 0.00 176.35 176.85 1xnt s VAL 72 N -2.04 2.39 0.00 -1.59 -7.23 -0.12 -1.45 120.40 110.36 1xnt s VAL 72 Ca 0.30 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1xnt s VAL 72 Cb -0.08 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1xnt s VAL 72 CO 0.20 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1xnt n GLY 73 N -0.15 -0.22 3.64 2.32 0.00 -0.90 -0.72 105.19 109.15 1xnt n GLY 73 Ca -0.09 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 4.33 0.06 1.61 0.15 -1.26 -0.66 113.70 117.93 1xnt s SER 74 Ca 0.00 -0.84 0.15 0.00 0.70 0.00 0.00 55.95 55.97 1xnt s SER 74 Cb 0.00 -0.65 0.65 0.00 -1.71 0.00 0.00 66.02 64.31 1xnt s SER 74 CO 0.00 -0.14 1.48 -1.54 1.20 0.00 0.00 173.24 174.24 1xnt n SER 75 N -0.93 0.16 -3.84 5.45 3.41 -1.26 -4.79 113.62 111.82 1xnt n SER 75 Ca -0.05 0.54 -0.28 0.00 -0.26 0.00 0.00 58.87 58.82 1xnt n SER 75 Cb 0.61 -0.57 0.25 0.00 -0.26 0.00 0.00 64.21 64.24 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 76 N -1.57 -3.78 0.00 7.33 0.00 -1.26 -4.46 120.51 116.77 1xnt n ALA 76 Ca 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1xnt n ALA 76 Cb 0.16 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1xnt n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 77 N 1.71 1.30 0.00 0.00 0.00 -1.26 -4.71 105.19 102.23 1xnt n GLY 77 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.20 0.10 -0.02 0.00 -1.26 -4.98 105.19 98.82 1xnt n GLY 78 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.17 0.00 4.61 0.00 -1.94 -3.48 119.26 118.63 1xnt h ALA 79 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1xnt h ALA 79 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xnt h ALA 79 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1xnt n GLY 80 N 1.53 2.95 3.77 0.00 0.00 -1.26 -5.03 105.19 107.14 1xnt n GLY 80 Ca -0.24 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 1xnt n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xnt s GLU 81 N 0.00 3.86 -1.87 1.61 2.02 -1.26 -2.45 118.70 120.61 1xnt s GLU 81 Ca 0.00 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.04 1xnt s GLU 81 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1xnt s GLU 81 CO 0.00 -0.55 0.00 1.04 0.02 0.00 0.00 175.26 175.77 1xnt n GLN 82 N -0.11 -1.64 -0.30 1.61 6.02 -1.26 -4.83 117.38 116.87 1xnt n GLN 82 Ca 0.05 1.05 0.04 0.00 -0.01 0.00 0.00 57.00 58.13 1xnt n GLN 82 Cb 0.45 -5.67 0.05 0.00 1.02 0.00 0.00 30.24 26.09 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 -1.89 0.96 -4.35 1.08 2.03 -1.02 -5.06 116.55 108.30 1xnt n ASP 83 Ca -0.24 -2.39 -0.26 0.00 0.52 0.00 0.00 54.79 52.42 1xnt n ASP 83 Cb 0.69 -0.28 -0.12 0.00 -0.72 0.00 0.00 41.12 40.69 1xnt n ASP 83 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1xnt s TYR 84 N -1.14 2.07 0.04 -0.67 1.51 -1.26 -4.58 117.35 113.32 1xnt s TYR 84 Ca 0.12 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1xnt s TYR 84 Cb 0.11 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1xnt s TYR 84 CO 0.01 0.31 0.05 -2.00 -1.11 0.00 0.00 175.55 172.81 1xnt s GLU 85 N -2.16 2.86 -1.00 -0.62 2.56 0.10 -4.82 118.70 115.62 1xnt s GLU 85 Ca 0.12 -0.64 -0.24 0.00 0.00 0.00 0.00 54.97 54.21 1xnt s GLU 85 Cb -0.09 -2.72 -0.07 0.00 2.00 0.00 0.00 34.13 33.24 1xnt s GLU 85 CO 0.06 0.60 1.97 0.08 -0.56 0.00 0.00 175.26 177.41 1xnt s VAL 86 N -1.26 3.44 0.10 3.70 1.01 -1.26 -0.95 120.40 125.18 1xnt s VAL 86 Ca 0.25 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 1xnt s VAL 86 Cb -0.12 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 1xnt s VAL 86 CO 0.17 -0.88 1.64 0.25 0.00 0.00 0.00 175.10 176.28 1xnt h LEU 87 N 18.24 -0.74 -7.29 3.92 5.85 -1.78 -3.42 115.31 130.10 1xnt h LEU 87 Ca 0.13 0.07 -0.41 0.00 0.84 0.00 0.00 57.88 58.51 1xnt h LEU 87 Cb 0.98 0.26 -0.39 0.00 0.37 0.00 0.00 40.66 41.87 1xnt h LEU 87 CO 1.20 -0.39 -0.75 -1.48 -0.34 0.00 0.00 178.44 176.68 1xnt s LEU 88 N -10.22 0.34 1.08 2.25 0.05 -0.68 -1.17 118.68 110.33 1xnt s LEU 88 Ca -0.16 -0.16 -0.17 0.00 0.05 0.00 0.00 54.13 53.69 1xnt s LEU 88 Cb 0.06 -0.25 0.14 0.00 -2.05 0.00 0.00 46.19 44.09 1xnt s LEU 88 CO 0.64 -0.26 0.12 1.33 -0.55 0.00 0.00 176.35 177.62 1xnt n VAL 89 N 5.25 0.00 -1.96 1.48 0.24 -1.26 -1.56 118.33 120.52 1xnt n VAL 89 Ca -0.05 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 1xnt n VAL 89 Cb 0.50 -0.54 -0.03 0.00 -1.47 0.00 0.00 33.84 32.30 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 2.61 -0.30 3.34 -1.32 -1.26 -4.36 115.64 112.22 1xnt s THR 90 Ca 0.46 0.48 -0.14 0.00 -1.21 0.00 0.00 61.69 61.28 1xnt s THR 90 Cb -0.08 -3.30 -0.03 0.00 -1.51 0.00 0.00 72.50 67.57 1xnt s THR 90 CO 0.51 0.06 0.31 -0.94 -2.21 0.00 0.00 174.62 172.35 1xnt s SER 91 N 0.74 6.15 -1.15 8.08 1.04 0.14 -4.66 113.70 124.03 1xnt s SER 91 Ca 0.64 -0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.91 1xnt s SER 91 Cb -0.43 -2.18 -0.06 0.00 0.10 0.00 0.00 66.02 63.45 1xnt s SER 91 CO 0.38 -0.20 2.17 -1.54 0.98 0.00 0.00 173.24 175.03 1xnt n SER 92 N 5.26 3.94 0.10 7.02 3.41 -1.23 -1.52 113.62 130.60 1xnt n SER 92 Ca -0.10 -2.70 -0.13 0.00 -0.26 0.00 0.00 58.87 55.68 1xnt n SER 92 Cb 0.51 -1.38 -0.08 0.00 -0.26 0.00 0.00 64.21 63.00 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 6.66 -0.18 -4.00 7.33 3.57 -0.27 -3.46 116.94 126.58 1xnt h PHE 93 Ca 0.54 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.01 1xnt h PHE 93 Cb 0.56 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1xnt h PHE 93 CO 1.47 -0.03 -0.01 -1.33 -2.23 0.00 0.00 178.31 176.18 1xnt n MET 94 N -5.13 1.94 -4.66 1.11 2.81 -1.19 -5.04 117.12 106.96 1xnt n MET 94 Ca -0.09 -0.10 -0.29 0.00 -1.81 0.00 0.00 57.70 55.41 1xnt n MET 94 Cb 0.14 0.03 -0.09 0.00 -0.71 0.00 0.00 33.22 32.58 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 -1.07 3.82 0.00 7.83 1.04 -1.26 -4.65 113.70 119.41 1xnt s SER 95 Ca 0.00 -1.50 0.19 0.00 0.48 0.00 0.00 55.95 55.12 1xnt s SER 95 Cb 0.00 0.03 0.77 0.00 0.10 0.00 0.00 66.02 66.92 1xnt s SER 95 CO 0.00 -0.65 1.54 -0.81 0.98 0.00 0.00 173.24 174.30 1xnt n PRO 96 N -1.06 1.54 0.00 4.02 -0.04 -1.26 -3.70 135.00 134.49 1xnt n PRO 96 Ca -0.11 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 1xnt n PRO 96 Cb 0.67 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1xnt n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xnt n SER 97 N 0.04 3.92 0.19 3.54 7.64 -1.26 -4.67 113.62 123.03 1xnt n SER 97 Ca 0.15 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.17 1xnt n SER 97 Cb 0.25 0.03 0.51 0.00 -1.01 0.00 0.00 64.21 63.99 1xnt n SER 97 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1xnt h GLU 98 N 0.00 0.00 -0.01 1.43 4.11 -1.85 -3.08 114.58 115.17 1xnt h GLU 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xnt h GLU 98 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1xnt h GLU 98 CO 0.00 0.00 0.09 1.03 0.07 0.00 0.00 179.01 180.20 1xnt h SER 99 N 0.00 0.00 0.00 3.06 0.87 -1.80 -3.30 113.55 112.38 1xnt h SER 99 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xnt h SER 99 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1xnt h SER 99 CO 0.00 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.84 1xnt n ARG 100 N -3.11 0.00 -2.31 2.24 1.74 -1.17 -4.72 116.66 109.34 1xnt n ARG 100 Ca -0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1xnt n ARG 100 Cb 0.16 -0.36 0.09 0.00 -1.02 0.00 0.00 32.46 31.33 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 -0.15 -1.22 -0.01 0.55 2.88 -1.24 -4.78 113.62 109.65 1xnt n SER 101 Ca 0.00 -2.02 0.06 0.00 -1.33 0.00 0.00 58.87 55.58 1xnt n SER 101 Cb 0.00 0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 1xnt n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xnt n GLY 102 N -1.18 -0.53 3.25 0.46 0.00 -1.25 -5.00 105.19 100.93 1xnt n GLY 102 Ca -0.17 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.61 1xnt n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 103 N -3.36 -0.24 -0.81 1.61 0.01 -1.25 -5.03 113.70 104.63 1xnt s SER 103 Ca -0.04 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.52 1xnt s SER 103 Cb 0.07 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.57 1xnt s SER 103 CO 0.48 -0.05 0.61 -0.46 0.41 0.00 0.00 173.24 174.23 1xnt n ASN 104 N 4.73 -4.93 0.08 2.44 6.94 -1.26 -4.55 115.26 118.72 1xnt n ASN 104 Ca -0.07 -0.93 -0.06 0.00 -0.02 0.00 0.00 54.58 53.50 1xnt n ASN 104 Cb 0.55 -1.75 -0.03 0.00 -2.36 0.00 0.00 39.78 36.18 1xnt n ASN 104 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1xnt h PRO 105 N -0.19 0.04 -2.41 -0.53 0.13 -1.85 -3.44 132.00 123.76 1xnt h PRO 105 Ca -0.62 -0.05 -0.29 0.00 -0.87 0.00 0.00 66.00 64.17 1xnt h PRO 105 Cb 1.39 0.02 -0.35 0.00 0.13 0.00 0.00 31.00 32.19 1xnt h PRO 105 CO 0.36 0.91 -0.60 -0.80 -0.23 0.00 0.00 178.00 177.64 1xnt s ASN 106 N -6.80 1.20 0.00 1.44 0.02 -1.26 -3.24 114.94 106.30 1xnt s ASN 106 Ca -0.00 -0.16 0.00 0.00 -1.02 0.00 0.00 52.86 51.67 1xnt s ASN 106 Cb 0.11 0.51 0.00 0.00 0.02 0.00 0.00 41.25 41.88 1xnt s ASN 106 CO 0.81 -0.32 0.00 -2.11 0.02 0.00 0.00 177.10 175.50 1xnt n ARG 107 N 5.33 0.00 -4.40 -0.60 1.85 -1.16 -5.04 116.66 112.64 1xnt n ARG 107 Ca -0.05 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.60 1xnt n ARG 107 Cb 0.50 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.81 1xnt n ARG 107 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1xnt s VAL 108 N -2.34 0.73 -0.02 8.89 -7.23 -1.26 -2.33 120.40 116.85 1xnt s VAL 108 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1xnt s VAL 108 Cb 0.00 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1xnt s VAL 108 CO 0.00 0.00 0.18 -0.60 -0.31 0.00 0.00 175.10 174.37 1xnt s ARG 109 N -3.90 0.44 0.18 4.82 6.06 0.06 -4.76 118.95 121.85 1xnt s ARG 109 Ca 0.35 -0.18 0.07 0.00 -2.50 0.00 0.00 55.73 53.47 1xnt s ARG 109 Cb 0.07 0.19 -0.04 0.00 0.06 0.00 0.00 34.95 35.22 1xnt s ARG 109 CO 0.15 -0.10 -0.15 -1.64 -2.50 0.00 0.00 175.30 171.06 1xnt s MET 110 N -0.96 1.25 0.26 5.12 -1.94 -1.26 -1.38 119.30 120.39 1xnt s MET 110 Ca -0.10 -1.49 0.06 0.00 -1.71 0.00 0.00 55.69 52.45 1xnt s MET 110 Cb -0.06 -1.10 -0.05 0.00 2.01 0.00 0.00 34.83 35.63 1xnt s MET 110 CO 0.02 0.19 -0.07 -0.06 -0.01 0.00 0.00 175.02 175.09 1xnt s PHE 111 N -2.66 1.86 0.00 -0.03 0.40 0.62 -4.97 117.98 113.18 1xnt s PHE 111 Ca 0.18 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1xnt s PHE 111 Cb -0.02 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.48 1xnt s PHE 111 CO 0.06 0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.64 1xnt n GLY 112 N -0.52 5.45 0.19 4.36 0.00 -1.26 -1.28 105.19 112.13 1xnt n GLY 112 Ca -0.06 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 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 0.64 0.00 1.61 0.13 -1.56 -3.16 132.00 129.66 1xnt h PRO 113 Ca 0.00 -0.61 -0.03 0.00 -0.87 0.00 0.00 66.00 64.49 1xnt h PRO 113 Cb 0.00 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 1xnt h PRO 113 CO 0.00 1.22 -0.15 -0.44 -0.23 0.00 0.00 178.00 178.40 1xnt h ASP 114 N 0.39 0.00 -0.14 1.44 3.32 -1.97 -1.54 116.42 117.93 1xnt h ASP 114 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xnt h ASP 114 Cb 1.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1xnt h ASP 114 CO 0.17 0.15 0.00 0.29 -1.72 0.00 0.00 179.24 178.13 1xnt n LYS 115 N -3.88 1.97 -4.95 3.56 4.01 -1.21 -4.88 118.16 112.77 1xnt n LYS 115 Ca -0.02 -1.43 -0.27 0.00 -0.51 0.00 0.00 58.31 56.08 1xnt n LYS 115 Cb 0.24 -1.45 -0.15 0.00 -0.51 0.00 0.00 35.03 33.16 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1xnt s LEU 116 N -1.76 2.06 0.34 -0.35 0.05 -0.58 -4.05 118.68 114.39 1xnt s LEU 116 Ca 0.34 -0.40 -0.29 0.00 0.05 0.00 0.00 54.13 53.84 1xnt s LEU 116 Cb 0.20 -1.05 -0.11 0.00 -2.05 0.00 0.00 46.19 43.18 1xnt s LEU 116 CO 0.30 0.24 1.53 0.54 -0.55 0.00 0.00 176.35 178.41 1xnt s VAL 117 N -0.54 2.08 0.06 1.48 0.11 -0.32 -4.84 120.40 118.43 1xnt s VAL 117 Ca 0.08 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 59.05 1xnt s VAL 117 Cb -0.08 -3.04 -0.27 0.00 -1.53 0.00 0.00 36.38 31.46 1xnt s VAL 117 CO -0.00 0.01 1.14 0.03 -3.33 0.00 0.00 175.10 172.95 1xnt h ARG 118 N 3.82 0.66 -0.00 1.54 -0.00 -1.93 0.46 114.38 118.93 1xnt h ARG 118 Ca -0.49 -0.80 0.00 0.00 -0.50 0.00 0.00 59.98 58.19 1xnt h ARG 118 Cb 1.23 0.25 -0.00 0.00 0.00 0.00 0.00 29.97 31.45 1xnt h ARG 118 CO 0.71 1.36 0.01 0.00 0.00 0.00 0.00 179.97 182.05 1xnt h ALA 119 N 0.33 1.10 0.00 0.04 0.00 -2.00 -3.01 119.26 115.73 1xnt h ALA 119 Ca -0.16 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1xnt h ALA 119 Cb 1.81 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1xnt h ALA 119 CO 0.22 -0.02 -1.40 0.00 0.00 0.00 0.00 179.25 178.06 1xnt n ALA 120 N -2.11 2.29 -0.32 0.00 0.00 -1.19 -4.55 120.51 114.62 1xnt n ALA 120 Ca -0.03 -0.29 0.26 0.00 0.00 0.00 0.00 53.44 53.38 1xnt n ALA 120 Cb 0.09 0.38 0.56 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.17 2.42 -0.19 0.00 0.00 -0.10 0.91 119.26 122.13 1xnt h ALA 121 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xnt h ALA 121 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xnt h ALA 121 CO -0.08 -0.82 0.00 -0.85 0.00 0.00 0.00 179.25 177.50 1xnt n GLU 122 N -4.54 1.58 -3.79 0.00 0.28 -1.14 -0.25 120.64 112.77 1xnt n GLU 122 Ca 0.26 -0.88 -0.37 0.00 -0.16 0.00 0.00 57.16 56.01 1xnt n GLU 122 Cb 0.97 -1.29 -0.06 0.00 1.43 0.00 0.00 31.44 32.48 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 -1.75 3.68 -0.26 3.44 1.02 0.32 -4.84 119.74 121.36 1xnt s LYS 123 Ca 0.25 -0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.88 1xnt s LYS 123 Cb 0.13 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1xnt s LYS 123 CO 0.19 0.65 1.69 1.03 -0.92 0.00 0.00 175.35 177.99 1xnt s ARG 124 N -0.70 3.63 0.23 1.68 0.52 -1.26 -4.14 118.95 118.92 1xnt s ARG 124 Ca 0.15 1.60 0.11 0.00 -0.52 0.00 0.00 55.73 57.06 1xnt s ARG 124 Cb -0.12 -4.10 -0.05 0.00 0.52 0.00 0.00 34.95 31.20 1xnt s ARG 124 CO 0.04 -1.50 -0.14 -1.58 0.02 0.00 0.00 175.30 172.14 1xnt s TRP 125 N 5.81 2.46 -0.00 -0.53 0.52 -0.15 -4.66 118.94 122.39 1xnt s TRP 125 Ca 0.75 -0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.58 1xnt s TRP 125 Cb -0.24 -1.14 0.00 0.00 -1.15 0.00 0.00 33.47 30.94 1xnt s TRP 125 CO 0.31 0.59 0.71 -0.40 0.02 0.00 0.00 176.95 178.19 1xnt n ASP 126 N -0.29 0.79 -3.95 2.95 5.68 -0.38 -0.73 116.55 120.63 1xnt n ASP 126 Ca -0.09 -1.43 -0.10 0.00 -0.50 0.00 0.00 54.79 52.68 1xnt n ASP 126 Cb 0.58 -0.01 -0.12 0.00 -1.14 0.00 0.00 41.12 40.43 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 -0.42 0.22 -0.00 0.11 0.52 0.16 -0.73 118.95 118.81 1xnt s ARG 127 Ca 0.00 -0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.77 1xnt s ARG 127 Cb 0.00 0.08 -0.00 0.00 0.52 0.00 0.00 34.95 35.55 1xnt s ARG 127 CO 0.00 -0.04 0.01 0.54 0.02 0.00 0.00 175.30 175.84 1xnt s VAL 128 N -1.04 0.03 -0.34 3.52 0.11 -0.35 -2.13 120.40 120.20 1xnt s VAL 128 Ca -0.11 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1xnt s VAL 128 Cb -0.07 -0.10 0.06 0.00 -1.53 0.00 0.00 36.38 34.74 1xnt s VAL 128 CO -0.01 -0.12 0.09 -0.75 -3.33 0.00 0.00 175.10 170.98 1xnt s LYS 129 N -0.35 2.38 -0.25 1.54 2.20 -0.53 -0.25 119.74 124.48 1xnt s LYS 129 Ca -0.04 -1.39 -0.12 0.00 -0.36 0.00 0.00 55.97 54.06 1xnt s LYS 129 Cb -0.03 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1xnt s LYS 129 CO -0.00 -0.75 0.24 0.42 -0.36 0.00 0.00 175.35 174.89 1xnt s ILE 130 N 1.27 5.29 -0.20 5.43 -1.09 -0.26 -1.24 121.20 130.41 1xnt s ILE 130 Ca -0.01 0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.74 1xnt s ILE 130 Cb -0.21 -3.57 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1xnt s ILE 130 CO -0.01 0.27 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.18 1xnt s VAL 131 N 1.46 1.68 0.02 2.92 1.01 -0.11 0.47 120.40 127.84 1xnt s VAL 131 Ca 0.10 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 1xnt s VAL 131 Cb -0.15 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1xnt s VAL 131 CO 0.08 0.18 0.51 0.00 0.00 0.00 0.00 175.10 175.86 1xnt s SER 133 N -0.79 -0.10 0.00 0.00 0.01 0.22 -0.60 113.70 112.45 1xnt s SER 133 Ca 0.27 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1xnt s SER 133 Cb -0.18 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1xnt s SER 133 CO 0.16 -0.12 0.00 1.67 0.41 0.00 0.00 173.24 175.36 1xnt n GLN 134 N 3.90 0.00 -2.78 12.44 -0.06 -0.41 -0.28 117.38 130.20 1xnt n GLN 134 Ca -0.23 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.34 1xnt n GLN 134 Cb 0.53 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.68 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 -1.00 3.30 0.00 3.69 0.04 -1.22 -4.17 135.00 135.65 1xnt s PRO 135 Ca 0.00 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.06 1xnt s PRO 135 Cb 0.00 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 30.01 1xnt s PRO 135 CO 0.00 -1.92 0.04 2.48 0.04 0.00 0.00 177.00 177.64 1xnt n TYR 136 N 7.90 0.00 -4.41 0.56 0.18 -1.18 -4.83 117.16 115.36 1xnt n TYR 136 Ca 0.09 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.69 1xnt n TYR 136 Cb 0.48 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.40 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 2.64 0.00 9.48 2.88 -1.26 -4.96 113.62 121.89 1xnt n SER 137 Ca 0.00 -2.25 0.00 0.00 -1.33 0.00 0.00 58.87 55.29 1xnt n SER 137 Cb 0.01 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.70 0.00 -0.03 -1.46 4.81 -1.26 -4.07 118.16 115.46 1xnt n LYS 138 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.30 1xnt n LYS 138 Cb 0.36 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.37 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 -1.78 3.66 -4.78 3.14 5.68 -1.26 -2.91 116.55 118.30 1xnt n ASP 139 Ca 0.00 -0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.94 1xnt n ASP 139 Cb 0.00 0.57 -0.07 0.00 -1.14 0.00 0.00 41.12 40.48 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 -3.74 5.70 0.40 -1.12 1.04 -1.26 -4.60 113.70 110.12 1xnt s SER 140 Ca -0.03 0.21 -0.07 0.00 0.48 0.00 0.00 55.95 56.54 1xnt s SER 140 Cb 0.02 -1.68 -0.05 0.00 0.10 0.00 0.00 66.02 64.41 1xnt s SER 140 CO 0.21 0.33 0.72 -2.16 0.98 0.00 0.00 173.24 173.32 1xnt s PRO 141 N -1.38 3.66 0.00 4.02 0.04 -1.26 -4.12 135.00 135.96 1xnt s PRO 141 Ca 0.19 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1xnt s PRO 141 Cb -0.12 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1xnt s PRO 141 CO 0.09 -0.03 0.00 1.19 0.04 0.00 0.00 177.00 178.29 1xnt n PHE 142 N -1.56 -0.79 0.00 0.56 3.72 -1.26 -4.75 117.46 113.38 1xnt n PHE 142 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1xnt n PHE 142 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.36 3.20 1.37 0.00 -1.01 -1.53 105.19 105.86 1xnt n GLY 143 Ca 0.00 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 1.63 0.22 0.99 -0.00 -1.07 -1.56 118.68 118.89 1xnt s LEU 144 Ca 0.00 -1.00 0.24 0.00 -0.00 0.00 0.00 54.13 53.37 1xnt s LEU 144 Cb 0.00 0.63 0.38 0.00 -0.00 0.00 0.00 46.19 47.20 1xnt s LEU 144 CO 0.00 -0.75 1.43 0.28 -0.00 0.00 0.00 176.35 177.31 1xnt h SER 145 N 2.81 0.00 -4.92 1.48 0.02 -1.46 0.38 113.55 111.87 1xnt h SER 145 Ca -0.34 -0.08 0.36 0.00 -0.84 0.00 0.00 61.79 60.89 1xnt h SER 145 Cb 1.20 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.56 1xnt h SER 145 CO 0.57 0.04 0.97 0.72 -1.14 0.00 0.00 176.83 177.99 1xnt s PHE 146 N -3.20 -0.01 0.02 3.45 -0.71 -1.25 -4.48 117.98 111.80 1xnt s PHE 146 Ca 0.06 0.00 0.00 0.00 -1.04 0.00 0.00 56.93 55.96 1xnt s PHE 146 Cb 0.11 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.40 1xnt s PHE 146 CO 0.70 -0.03 -0.04 0.14 -1.34 0.00 0.00 175.22 174.64 1xnt s VAL 147 N -2.06 0.20 0.18 -2.49 -7.23 -1.26 -1.78 120.40 105.97 1xnt s VAL 147 Ca 0.13 -0.92 -0.16 0.00 -1.81 0.00 0.00 61.98 59.22 1xnt s VAL 147 Cb 0.03 -0.33 0.02 0.00 0.56 0.00 0.00 36.38 36.66 1xnt s VAL 147 CO -0.04 -0.46 0.48 -0.13 -0.31 0.00 0.00 175.10 174.64 1xnt s ARG 148 N -1.44 1.32 0.02 4.82 0.52 0.33 -4.89 118.95 119.63 1xnt s ARG 148 Ca -0.14 -0.89 -0.07 0.00 -0.52 0.00 0.00 55.73 54.11 1xnt s ARG 148 Cb -0.10 0.50 -0.00 0.00 0.52 0.00 0.00 34.95 35.87 1xnt s ARG 148 CO -0.01 -0.55 0.13 -0.06 0.02 0.00 0.00 175.30 174.84 1xnt s PHE 149 N -3.88 0.10 -0.16 -0.53 0.08 -1.23 -1.40 117.98 110.96 1xnt s PHE 149 Ca 0.10 -0.28 -0.13 0.00 0.12 0.00 0.00 56.93 56.74 1xnt s PHE 149 Cb -0.00 -0.08 0.05 0.00 -0.57 0.00 0.00 43.02 42.42 1xnt s PHE 149 CO -0.03 -0.33 0.42 -3.38 -0.10 0.00 0.00 175.22 171.79 1xnt s HIS 150 N -1.95 -0.52 0.00 0.36 -3.43 -0.20 -1.46 115.29 108.10 1xnt s HIS 150 Ca -0.10 1.19 0.00 0.00 -0.80 0.00 0.00 55.06 55.35 1xnt s HIS 150 Cb -0.05 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 1xnt s HIS 150 CO -0.01 -0.27 0.19 -1.13 -2.00 0.00 0.00 174.74 171.52