#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 0.10 0.00 3.17 -0.04 -1.26 -4.90 135.00 132.06 1xnt n PRO 2 Ca 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1xnt n PRO 2 Cb 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1xnt n PRO 2 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xnt n GLU 3 N -1.70 0.40 -4.48 0.54 1.02 -1.26 -4.10 120.64 111.07 1xnt n GLU 3 Ca 0.05 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.94 1xnt n GLU 3 Cb 0.37 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.62 1xnt n GLU 3 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xnt s ILE 4 N -0.55 1.14 0.43 -3.67 1.01 0.04 -4.59 121.20 115.00 1xnt s ILE 4 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1xnt s ILE 4 Cb 0.00 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1xnt s ILE 4 CO 0.00 0.36 0.14 -0.13 0.00 0.00 0.00 174.94 175.32 1xnt s ARG 5 N 0.84 2.17 0.35 2.79 0.52 -1.26 -2.52 118.95 121.84 1xnt s ARG 5 Ca -0.11 -1.95 0.04 0.00 -0.52 0.00 0.00 55.73 53.19 1xnt s ARG 5 Cb -0.15 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 1xnt s ARG 5 CO 0.02 -0.15 0.51 -0.51 0.02 0.00 0.00 175.30 175.19 1xnt s LEU 6 N -3.88 3.94 0.02 2.53 1.02 -1.26 -1.86 118.68 119.18 1xnt s LEU 6 Ca 0.37 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.55 1xnt s LEU 6 Cb 0.05 -2.93 0.00 0.00 0.02 0.00 0.00 46.19 43.33 1xnt s LEU 6 CO 0.20 -0.44 0.00 -1.14 0.02 0.00 0.00 176.35 175.00 1xnt n ARG 7 N -1.73 0.00 -3.52 1.70 0.63 -1.22 -4.47 116.66 108.03 1xnt n ARG 7 Ca -0.02 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.81 1xnt n ARG 7 Cb 0.58 -0.45 -0.02 0.00 0.45 0.00 0.00 32.46 33.01 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 -2.00 -0.44 -0.84 -0.14 -3.43 -1.26 -5.00 115.29 102.18 1xnt s HIS 8 Ca 0.00 0.19 -0.25 0.00 -0.80 0.00 0.00 55.06 54.19 1xnt s HIS 8 Cb 0.00 0.59 0.04 0.00 -1.43 0.00 0.00 32.58 31.77 1xnt s HIS 8 CO 0.00 -0.88 1.35 0.54 -2.00 0.00 0.00 174.74 173.75 1xnt s VAL 9 N -3.69 3.79 0.09 -5.38 0.11 -1.26 -0.36 120.40 113.70 1xnt s VAL 9 Ca 0.04 -0.03 -0.36 0.00 -2.93 0.00 0.00 61.98 58.70 1xnt s VAL 9 Cb -0.02 -4.96 -0.17 0.00 -1.53 0.00 0.00 36.38 29.70 1xnt s VAL 9 CO -0.08 -1.88 1.56 1.62 -3.33 0.00 0.00 175.10 172.98 1xnt h VAL 10 N 6.33 0.00 -2.70 2.04 3.04 -1.68 -3.44 116.25 119.84 1xnt h VAL 10 Ca -0.10 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 65.06 1xnt h VAL 10 Cb 1.04 0.00 -0.15 0.00 -2.01 0.00 0.00 31.29 30.17 1xnt h VAL 10 CO 1.33 0.00 -0.75 -0.44 -1.01 0.00 0.00 177.57 176.70 1xnt s SER 11 N -4.39 2.99 -0.25 3.17 0.01 -0.30 -5.01 113.70 109.91 1xnt s SER 11 Ca -0.18 -1.00 -0.20 0.00 1.31 0.00 0.00 55.95 55.89 1xnt s SER 11 Cb 0.04 -0.20 0.07 0.00 0.21 0.00 0.00 66.02 66.14 1xnt s SER 11 CO 0.60 -0.06 0.65 0.00 0.41 0.00 0.00 173.24 174.83 1xnt n SER 13 N 3.26 0.56 0.00 0.00 2.88 0.27 -4.91 113.62 115.68 1xnt n SER 13 Ca -0.16 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.32 1xnt n SER 13 Cb 0.56 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1xnt n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1xnt n SER 14 N 0.28 0.00 -3.93 -3.46 3.41 -1.17 -2.05 113.62 106.69 1xnt n SER 14 Ca 0.23 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.72 1xnt n SER 14 Cb 0.67 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.49 1xnt n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt s GLN 15 N 0.00 0.19 0.57 4.33 1.03 -1.26 -3.60 119.66 120.92 1xnt s GLN 15 Ca 0.00 -0.29 0.05 0.00 0.04 0.00 0.00 55.36 55.17 1xnt s GLN 15 Cb 0.00 -0.03 0.07 0.00 0.03 0.00 0.00 33.01 33.07 1xnt s GLN 15 CO 0.00 -0.00 0.78 -0.51 -2.54 0.00 0.00 175.29 173.02 1xnt s ASP 16 N -0.63 5.10 -0.04 12.60 1.01 -0.92 -3.20 116.67 130.59 1xnt s ASP 16 Ca -0.06 -0.47 -0.09 0.00 0.71 0.00 0.00 52.55 52.64 1xnt s ASP 16 Cb -0.04 -0.23 -0.05 0.00 1.01 0.00 0.00 42.92 43.61 1xnt s ASP 16 CO -0.00 -1.28 0.42 0.77 0.21 0.00 0.00 175.17 175.28 1xnt h SER 17 N 0.11 -0.26 0.81 0.27 4.64 -1.93 -2.86 113.55 114.33 1xnt h SER 17 Ca -0.36 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1xnt h SER 17 Cb 1.28 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1xnt h SER 17 CO 0.44 0.09 -0.39 0.71 -0.87 0.00 0.00 176.83 176.81 1xnt h THR 18 N -0.86 0.17 -3.17 2.95 1.35 -1.99 -3.28 112.91 108.07 1xnt h THR 18 Ca -0.03 -0.06 -0.78 0.00 -0.55 0.00 0.00 66.41 64.98 1xnt h THR 18 Cb 0.24 0.18 -0.25 0.00 -1.73 0.00 0.00 68.15 66.59 1xnt h THR 18 CO 0.05 0.01 0.70 -1.00 -0.25 0.00 0.00 175.52 175.03 1xnt s HIS 19 N -5.79 4.05 0.44 4.73 3.76 -1.26 -5.00 115.29 116.21 1xnt s HIS 19 Ca -0.18 -2.52 0.01 0.00 -0.15 0.00 0.00 55.06 52.22 1xnt s HIS 19 Cb 0.02 -3.97 -0.00 0.00 1.11 0.00 0.00 32.58 29.74 1xnt s HIS 19 CO 0.58 -1.08 0.66 0.00 -0.85 0.00 0.00 174.74 174.06 1xnt h ALA 21 N 0.42 1.07 0.00 0.00 0.00 -1.86 -1.45 119.26 117.44 1xnt h ALA 21 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xnt h ALA 21 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xnt h ALA 21 CO 0.57 0.03 0.00 1.49 0.00 0.00 0.00 179.25 181.34 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.94 -0.42 114.58 117.02 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 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xnt h GLU 22 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.37 1xnt h ASN 23 N 0.00 0.00 0.34 1.04 2.35 -1.57 -0.98 115.58 116.76 1xnt h ASN 23 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xnt h ASN 23 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1xnt h ASN 23 CO 0.00 0.00 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.53 1xnt h LEU 24 N 0.00 0.00 -2.93 1.61 3.38 -1.27 -0.74 115.31 115.35 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 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xnt h LEU 24 CO 0.00 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.64 1xnt h LEU 25 N 0.00 0.00 -6.24 1.67 -0.00 -1.36 -2.92 115.31 106.47 1xnt h LEU 25 Ca -0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.23 1xnt h LEU 25 Cb 0.39 0.00 -0.39 0.00 -0.00 0.00 0.00 40.66 40.67 1xnt h LEU 25 CO 0.02 0.00 -0.25 0.29 -0.00 0.00 0.00 178.44 178.50 1xnt n LYS 26 N -3.16 3.12 0.14 1.13 4.76 -0.28 -4.88 118.16 118.99 1xnt n LYS 26 Ca -0.03 -4.68 0.19 0.00 -2.87 0.00 0.00 58.31 50.93 1xnt n LYS 26 Cb 0.07 -2.32 0.74 0.00 -1.84 0.00 0.00 35.03 31.68 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xnt h ALA 27 N 4.30 1.98 -3.26 7.82 0.00 -1.68 -3.21 119.26 125.21 1xnt h ALA 27 Ca 0.20 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.46 1xnt h ALA 27 Cb 0.62 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.03 1xnt h ALA 27 CO 0.95 -0.63 -0.59 -0.51 0.00 0.00 0.00 179.25 178.47 1xnt s ASP 28 N -4.99 4.57 0.00 0.00 1.01 -1.26 -4.88 116.67 111.12 1xnt s ASP 28 Ca -0.04 -3.31 0.00 0.00 0.71 0.00 0.00 52.55 49.91 1xnt s ASP 28 Cb 0.14 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.41 1xnt s ASP 28 CO 0.47 -0.19 0.00 0.35 0.21 0.00 0.00 175.17 176.02 1xnt n THR 29 N 2.72 0.00 0.00 -1.27 -2.24 -1.21 -5.09 114.28 107.19 1xnt n THR 29 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1xnt n THR 29 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.69 0.00 -3.07 4.78 0.18 -1.26 -5.13 117.16 111.97 1xnt n TYR 30 Ca 0.00 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.39 1xnt n TYR 30 Cb 0.00 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 1xnt n TYR 30 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1xnt s ARG 31 N -0.74 4.42 0.10 -3.48 6.06 -1.26 -5.07 118.95 118.98 1xnt s ARG 31 Ca 0.00 0.93 0.01 0.00 -2.50 0.00 0.00 55.73 54.16 1xnt s ARG 31 Cb 0.00 -3.36 0.01 0.00 0.06 0.00 0.00 34.95 31.66 1xnt s ARG 31 CO 0.00 0.31 0.04 1.63 -2.50 0.00 0.00 175.30 174.78 1xnt n LYS 32 N 2.80 1.54 -3.04 5.12 5.02 -1.26 -4.70 118.16 123.63 1xnt n LYS 32 Ca -0.04 -0.69 -0.38 0.00 -2.02 0.00 0.00 58.31 55.18 1xnt n LYS 32 Cb 0.51 0.13 -0.06 0.00 -0.02 0.00 0.00 35.03 35.58 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1xnt s TRP 33 N -0.91 3.78 -0.12 2.13 -0.00 -0.06 -4.50 118.94 119.26 1xnt s TRP 33 Ca 0.03 1.51 -0.06 0.00 -0.00 0.00 0.00 56.10 57.58 1xnt s TRP 33 Cb -0.00 -2.69 0.05 0.00 -0.00 0.00 0.00 33.47 30.83 1xnt s TRP 33 CO 0.02 0.43 0.29 1.03 -0.00 0.00 0.00 176.95 178.71 1xnt s ARG 34 N -1.56 0.26 0.69 5.86 0.52 -1.23 -3.48 118.95 120.01 1xnt s ARG 34 Ca 0.39 0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 56.02 1xnt s ARG 34 Cb -0.20 -0.09 -0.05 0.00 0.52 0.00 0.00 34.95 35.13 1xnt s ARG 34 CO 0.23 -0.16 0.48 0.00 0.02 0.00 0.00 175.30 175.88 1xnt n ALA 35 N 4.19 -1.56 0.33 2.13 0.00 -0.38 -2.15 120.51 123.07 1xnt n ALA 35 Ca -0.24 -0.20 0.22 0.00 0.00 0.00 0.00 53.44 53.22 1xnt n ALA 35 Cb 0.54 -1.82 1.19 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.25 1.01 -3.21 0.00 0.00 -1.60 -3.32 119.26 111.89 1xnt h ALA 36 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1xnt h ALA 36 Cb 1.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1xnt h ALA 36 CO 0.43 -0.01 -0.06 0.36 0.00 0.00 0.00 179.25 179.97 1xnt n LYS 37 N -3.04 0.05 -1.40 0.00 0.00 -1.26 -4.65 118.16 107.86 1xnt n LYS 37 Ca -0.03 -0.41 -0.05 0.00 -0.00 0.00 0.00 58.31 57.82 1xnt n LYS 37 Cb 0.08 0.34 0.02 0.00 -0.00 0.00 0.00 35.03 35.47 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xnt n ALA 38 N -2.71 0.25 -3.26 0.58 0.00 -1.26 -4.31 120.51 109.79 1xnt n ALA 38 Ca -0.01 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.76 1xnt n ALA 38 Cb 0.08 0.13 0.08 0.00 0.00 0.00 0.00 19.45 19.73 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 3.21 -0.26 0.00 0.00 0.00 -1.20 -4.78 105.19 102.16 1xnt n GLY 39 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.77 0.00 0.00 1.61 -0.58 -1.26 -4.66 120.64 111.98 1xnt n GLU 40 Ca -0.22 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1xnt n GLU 40 Cb 0.64 -0.41 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1xnt n LYS 41 N -0.15 0.00 -3.68 3.49 4.81 -0.91 -4.64 118.16 117.08 1xnt n LYS 41 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1xnt n LYS 41 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 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 0.00 -0.00 -0.07 3.15 -4.23 -1.26 0.11 115.64 113.34 1xnt s THR 42 Ca 0.00 0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1xnt s THR 42 Cb 0.00 -0.77 0.02 0.00 1.34 0.00 0.00 72.50 73.08 1xnt s THR 42 CO 0.00 0.00 0.20 0.27 -0.54 0.00 0.00 174.62 174.56 1xnt s ILE 43 N 0.43 0.01 -0.08 2.99 -4.36 -0.39 -4.98 121.20 114.82 1xnt s ILE 43 Ca -0.01 -0.05 0.04 0.00 -0.26 0.00 0.00 60.65 60.37 1xnt s ILE 43 Cb -0.04 -0.31 0.00 0.00 1.25 0.00 0.00 42.46 43.36 1xnt s ILE 43 CO -0.01 -0.03 -0.21 -0.44 0.24 0.00 0.00 174.94 174.49 1xnt s SER 44 N -0.00 2.77 -0.11 4.36 0.01 -0.87 0.29 113.70 120.15 1xnt s SER 44 Ca -0.01 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 1xnt s SER 44 Cb -0.02 -1.16 0.04 0.00 0.21 0.00 0.00 66.02 65.09 1xnt s SER 44 CO 0.00 0.15 0.03 0.54 0.41 0.00 0.00 173.24 174.38 1xnt s VAL 45 N 0.31 0.24 -0.32 3.43 0.11 0.90 0.94 120.40 126.00 1xnt s VAL 45 Ca -0.15 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.74 1xnt s VAL 45 Cb -0.17 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1xnt s VAL 45 CO 0.07 0.07 0.40 -0.69 -3.33 0.00 0.00 175.10 171.61 1xnt s VAL 46 N 2.01 5.14 0.19 2.04 1.01 0.12 -0.77 120.40 130.14 1xnt s VAL 46 Ca 0.03 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1xnt s VAL 46 Cb -0.14 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1xnt s VAL 46 CO -0.06 -0.04 0.29 -0.76 0.00 0.00 0.00 175.10 174.53 1xnt s LEU 47 N 2.12 4.23 0.38 3.92 1.02 0.83 -1.15 118.68 130.02 1xnt s LEU 47 Ca 0.14 0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.39 1xnt s LEU 47 Cb -0.16 -2.79 -0.01 0.00 0.02 0.00 0.00 46.19 43.24 1xnt s LEU 47 CO 0.11 0.01 0.55 -1.58 0.02 0.00 0.00 176.35 175.47 1xnt s GLN 48 N -3.52 3.18 -0.20 1.70 -0.44 0.52 -0.50 119.66 120.41 1xnt s GLN 48 Ca 0.34 -0.66 -0.05 0.00 -2.50 0.00 0.00 55.36 52.49 1xnt s GLN 48 Cb -0.10 -2.69 -0.02 0.00 -1.64 0.00 0.00 33.01 28.55 1xnt s GLN 48 CO 0.28 -0.03 -0.00 -1.17 0.50 0.00 0.00 175.29 174.87 1xnt s LEU 49 N -4.34 3.26 0.00 3.68 2.96 0.14 -3.46 118.68 120.92 1xnt s LEU 49 Ca 0.44 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1xnt s LEU 49 Cb -0.10 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1xnt s LEU 49 CO 0.34 0.07 0.37 1.21 -1.32 0.00 0.00 176.35 177.02 1xnt n GLU 50 N 4.23 0.00 -3.65 1.98 2.13 -0.78 -4.57 120.64 119.99 1xnt n GLU 50 Ca -0.17 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.63 1xnt n GLU 50 Cb 0.52 -1.37 -0.07 0.00 0.27 0.00 0.00 31.44 30.79 1xnt n GLU 50 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xnt s LYS 51 N -1.99 0.15 -0.39 5.31 -2.85 -1.26 -5.00 119.74 113.72 1xnt s LYS 51 Ca 0.00 0.23 -0.29 0.00 -1.00 0.00 0.00 55.97 54.91 1xnt s LYS 51 Cb 0.00 0.05 0.01 0.00 -2.06 0.00 0.00 37.83 35.83 1xnt s LYS 51 CO 0.00 -0.03 1.41 -2.00 0.10 0.00 0.00 175.35 174.83 1xnt s GLU 52 N 0.66 3.63 0.11 1.78 2.12 -1.26 -4.67 118.70 121.07 1xnt s GLU 52 Ca -0.02 1.02 -0.01 0.00 0.36 0.00 0.00 54.97 56.32 1xnt s GLU 52 Cb -0.04 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.35 1xnt s GLU 52 CO -0.12 -1.50 0.15 0.39 -0.54 0.00 0.00 175.26 173.65 1xnt n GLU 53 N 7.95 0.22 -2.20 4.30 -0.58 -0.18 -4.79 120.64 125.38 1xnt n GLU 53 Ca 0.16 -0.81 -0.21 0.00 -0.42 0.00 0.00 57.16 55.89 1xnt n GLU 53 Cb 0.48 0.80 0.11 0.00 -0.57 0.00 0.00 31.44 32.26 1xnt n GLU 53 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1xnt n GLN 54 N -0.17 -0.17 -3.73 3.49 6.02 -1.26 0.48 117.38 122.03 1xnt n GLN 54 Ca -0.00 -2.26 -0.15 0.00 -0.01 0.00 0.00 57.00 54.58 1xnt n GLN 54 Cb 0.17 -0.66 -0.16 0.00 1.02 0.00 0.00 30.24 30.62 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 -2.75 -0.10 -0.04 5.09 1.09 0.14 -4.51 121.20 120.12 1xnt s ILE 55 Ca 0.58 0.25 0.03 0.00 -1.10 0.00 0.00 60.65 60.42 1xnt s ILE 55 Cb -0.03 -0.19 -0.05 0.00 -1.06 0.00 0.00 42.46 41.13 1xnt s ILE 55 CO 0.39 0.11 0.00 1.57 -0.10 0.00 0.00 174.94 176.91 1xnt n HIS 56 N 4.53 0.00 -4.05 3.97 -0.00 -1.13 -4.44 115.22 114.10 1xnt n HIS 56 Ca -0.20 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.90 1xnt n HIS 56 Cb 0.51 -0.21 -0.10 0.00 -0.12 0.00 0.00 29.99 30.07 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 -3.72 0.42 0.10 0.26 0.01 -0.32 -2.18 113.70 108.27 1xnt s SER 57 Ca -0.03 -0.91 -0.01 0.00 1.31 0.00 0.00 55.95 56.30 1xnt s SER 57 Cb 0.01 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 1xnt s SER 57 CO 0.16 -0.60 0.03 -0.69 0.41 0.00 0.00 173.24 172.56 1xnt s VAL 58 N -3.75 0.14 -0.03 3.43 1.01 -0.48 -1.29 120.40 119.44 1xnt s VAL 58 Ca 0.05 -1.86 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 1xnt s VAL 58 Cb 0.06 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.62 1xnt s VAL 58 CO -0.10 -0.65 0.04 -1.81 0.00 0.00 0.00 175.10 172.59 1xnt s ASP 59 N -3.00 0.32 -0.07 3.32 1.11 -0.43 -0.21 116.67 117.70 1xnt s ASP 59 Ca 0.18 0.07 -0.06 0.00 0.18 0.00 0.00 52.55 52.91 1xnt s ASP 59 Cb 0.08 -0.07 0.02 0.00 1.07 0.00 0.00 42.92 44.02 1xnt s ASP 59 CO -0.02 -0.16 0.19 -0.63 1.18 0.00 0.00 175.17 175.72 1xnt s ILE 60 N 1.36 -0.00 -0.21 0.77 1.09 -0.35 0.96 121.20 124.81 1xnt s ILE 60 Ca -0.06 0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 59.39 1xnt s ILE 60 Cb -0.13 -0.27 -0.05 0.00 -1.06 0.00 0.00 42.46 40.95 1xnt s ILE 60 CO -0.03 0.01 0.21 -0.83 -0.10 0.00 0.00 174.94 174.20 1xnt s GLY 61 N 0.20 2.04 -0.09 6.18 0.00 -0.56 -1.12 107.32 113.98 1xnt s GLY 61 Ca -0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1xnt s GLY 61 CO -0.00 0.41 1.00 0.21 0.00 0.00 0.00 173.10 174.72 1xnt s ASN 62 N 0.82 7.26 -0.58 1.64 2.47 0.54 -1.29 114.94 125.80 1xnt s ASN 62 Ca 0.11 1.54 0.06 0.00 0.42 0.00 0.00 52.86 54.99 1xnt s ASN 62 Cb -0.13 -2.56 0.31 0.00 -1.45 0.00 0.00 41.25 37.42 1xnt s ASN 62 CO 0.03 -0.41 0.85 -0.67 -3.72 0.00 0.00 177.10 173.18 1xnt n ASP 63 N 4.82 3.81 0.00 -4.21 2.03 -0.12 0.02 116.55 122.90 1xnt n ASP 63 Ca 0.08 -3.52 0.00 0.00 0.52 0.00 0.00 54.79 51.87 1xnt n ASP 63 Cb 0.49 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.22 3.00 3.43 0.27 0.00 -0.67 -2.09 105.19 109.35 1xnt n GLY 64 Ca 0.30 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xnt s SER 65 N 0.83 0.24 0.11 1.61 1.04 -1.21 -4.78 113.70 111.55 1xnt s SER 65 Ca 0.00 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1xnt s SER 65 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1xnt s SER 65 CO 0.00 -4.61 0.00 0.00 0.98 0.00 0.00 173.24 169.61 1xnt n ALA 66 N -5.16 2.73 -2.68 5.32 0.00 -1.25 -4.27 120.51 115.20 1xnt n ALA 66 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 1xnt n ALA 66 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 3.39 -0.22 0.00 0.08 0.60 0.19 117.98 120.03 1xnt s PHE 67 Ca 0.00 0.67 0.01 0.00 0.12 0.00 0.00 56.93 57.74 1xnt s PHE 67 Cb 0.00 -2.55 0.05 0.00 -0.57 0.00 0.00 43.02 39.95 1xnt s PHE 67 CO 0.00 -0.00 -0.10 0.08 -0.10 0.00 0.00 175.22 175.10 1xnt s VAL 68 N 1.28 1.70 -0.26 -0.44 1.01 0.17 0.58 120.40 124.44 1xnt s VAL 68 Ca 0.21 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1xnt s VAL 68 Cb -0.15 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1xnt s VAL 68 CO 0.08 0.09 0.22 -0.70 0.00 0.00 0.00 175.10 174.79 1xnt s GLU 69 N 1.35 4.01 -0.15 2.72 2.12 -0.36 -0.46 118.70 127.93 1xnt s GLU 69 Ca -0.03 -0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.07 1xnt s GLU 69 Cb -0.17 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.59 1xnt s GLU 69 CO -0.07 -0.11 -0.11 0.08 -0.54 0.00 0.00 175.26 174.51 1xnt s VAL 70 N 1.55 3.10 0.31 3.70 1.01 -0.35 -1.04 120.40 128.68 1xnt s VAL 70 Ca 0.09 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.54 1xnt s VAL 70 Cb -0.15 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1xnt s VAL 70 CO 0.09 0.51 -0.10 -0.76 0.00 0.00 0.00 175.10 174.83 1xnt s LEU 71 N 0.59 2.79 0.15 3.92 1.02 0.10 -1.24 118.68 126.01 1xnt s LEU 71 Ca -0.07 -1.03 0.05 0.00 0.02 0.00 0.00 54.13 53.10 1xnt s LEU 71 Cb -0.15 -1.19 -0.04 0.00 0.02 0.00 0.00 46.19 44.82 1xnt s LEU 71 CO 0.03 -0.10 -0.11 0.68 0.02 0.00 0.00 176.35 176.88 1xnt s VAL 72 N -2.52 1.21 0.00 -1.59 -7.23 -0.16 -1.23 120.40 108.88 1xnt s VAL 72 Ca 0.32 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1xnt s VAL 72 Cb -0.02 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.08 1xnt s VAL 72 CO 0.17 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 1xnt n GLY 73 N -0.18 -0.73 3.50 2.32 0.00 -0.94 0.37 105.19 109.53 1xnt n GLY 73 Ca -0.10 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 3.80 0.00 1.61 0.15 -1.26 -1.26 113.70 116.74 1xnt s SER 74 Ca 0.00 -0.82 0.15 0.00 0.70 0.00 0.00 55.95 55.98 1xnt s SER 74 Cb 0.00 -0.45 0.66 0.00 -1.71 0.00 0.00 66.02 64.52 1xnt s SER 74 CO 0.00 0.08 1.46 -1.54 1.20 0.00 0.00 173.24 174.44 1xnt n SER 75 N -0.18 0.82 0.35 5.45 3.41 -1.26 -4.06 113.62 118.15 1xnt n SER 75 Ca -0.09 -1.71 -0.15 0.00 -0.26 0.00 0.00 58.87 56.66 1xnt n SER 75 Cb 0.57 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt h ALA 76 N 3.63 -0.92 -1.35 7.33 0.00 -2.00 -3.32 119.26 122.63 1xnt h ALA 76 Ca 0.00 -0.21 -0.64 0.00 0.00 0.00 0.00 54.91 54.06 1xnt h ALA 76 Cb 0.23 0.35 -0.38 0.00 0.00 0.00 0.00 17.79 18.00 1xnt h ALA 76 CO 0.00 -0.87 -0.20 0.41 0.00 0.00 0.00 179.25 178.59 1xnt n GLY 77 N -0.68 5.88 3.40 0.00 0.00 -1.26 -4.94 105.19 107.58 1xnt n GLY 77 Ca -0.12 -2.68 -0.39 0.00 0.00 0.00 0.00 46.02 42.83 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 -0.51 2.51 0.12 -0.02 0.00 -1.25 -4.63 105.19 101.41 1xnt n GLY 78 Ca 0.44 -1.28 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 7.84 0.25 -1.44 4.61 0.00 -1.94 -3.49 119.26 125.10 1xnt h ALA 79 Ca 0.41 -1.15 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 1xnt h ALA 79 Cb 0.83 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 1xnt h ALA 79 CO 1.52 0.82 -0.52 0.20 0.00 0.00 0.00 179.25 181.26 1xnt s GLY 80 N -4.99 2.63 0.22 0.00 0.00 -1.26 -5.04 107.32 98.88 1xnt s GLY 80 Ca -0.24 -1.18 0.24 0.00 0.00 0.00 0.00 44.72 43.54 1xnt s GLY 80 CO 0.69 -1.90 1.39 0.83 0.00 0.00 0.00 173.10 174.11 1xnt h GLU 81 N 1.74 0.00 -1.11 2.90 5.08 -2.00 -3.31 114.58 117.88 1xnt h GLU 81 Ca -0.38 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.51 1xnt h GLU 81 Cb 1.28 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.29 1xnt h GLU 81 CO 0.61 0.00 0.61 1.04 -1.00 0.00 0.00 179.01 180.28 1xnt n GLN 82 N -2.49 2.17 -0.61 2.33 6.02 -1.26 -4.27 117.38 119.28 1xnt n GLN 82 Ca 0.03 -2.49 0.03 0.00 -0.01 0.00 0.00 57.00 54.55 1xnt n GLN 82 Cb 0.48 -1.98 0.20 0.00 1.02 0.00 0.00 30.24 29.97 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 -0.59 2.27 -3.47 1.08 2.03 -1.25 -5.01 116.55 111.61 1xnt n ASP 83 Ca 0.49 -3.69 -0.13 0.00 0.52 0.00 0.00 54.79 51.98 1xnt n ASP 83 Cb 1.00 -0.56 0.01 0.00 -0.72 0.00 0.00 41.12 40.84 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 -1.11 -1.25 -4.74 -0.67 4.02 -1.26 -4.84 117.16 107.31 1xnt n TYR 84 Ca 0.25 -1.19 -0.32 0.00 -0.01 0.00 0.00 57.90 56.63 1xnt n TYR 84 Cb 0.84 -0.24 -0.17 0.00 -0.02 0.00 0.00 39.34 39.76 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 -3.19 2.88 -0.95 -0.72 0.41 0.16 -4.88 118.70 112.41 1xnt s GLU 85 Ca 0.18 -0.81 -0.26 0.00 -0.41 0.00 0.00 54.97 53.68 1xnt s GLU 85 Cb -0.01 -2.30 -0.17 0.00 -1.78 0.00 0.00 34.13 29.86 1xnt s GLU 85 CO 0.11 0.02 2.22 0.08 -0.49 0.00 0.00 175.26 177.21 1xnt s VAL 86 N 0.75 3.08 0.05 2.63 1.01 -1.26 -0.99 120.40 125.67 1xnt s VAL 86 Ca -0.09 -0.10 -0.34 0.00 0.00 0.00 0.00 61.98 61.45 1xnt s VAL 86 Cb -0.16 -3.60 -0.18 0.00 0.00 0.00 0.00 36.38 32.43 1xnt s VAL 86 CO 0.00 -0.16 1.50 0.25 0.00 0.00 0.00 175.10 176.70 1xnt h LEU 87 N 21.91 -1.05 -8.27 3.92 5.85 -1.72 -3.41 115.31 132.54 1xnt h LEU 87 Ca 0.03 0.04 -0.64 0.00 0.84 0.00 0.00 57.88 58.14 1xnt h LEU 87 Cb 1.00 0.28 -0.33 0.00 0.37 0.00 0.00 40.66 41.97 1xnt h LEU 87 CO 1.04 -0.72 -0.87 -0.76 -0.34 0.00 0.00 178.44 176.79 1xnt s LEU 88 N -9.32 1.99 0.00 2.25 1.43 -0.37 -1.63 118.68 113.03 1xnt s LEU 88 Ca -0.18 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1xnt s LEU 88 Cb 0.02 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.99 1xnt s LEU 88 CO 0.53 0.13 0.12 1.33 0.23 0.00 0.00 176.35 178.70 1xnt n VAL 89 N 3.57 0.00 -1.74 -1.59 0.24 -1.26 -1.21 118.33 116.34 1xnt n VAL 89 Ca -0.20 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 1xnt n VAL 89 Cb 0.53 -0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 1xnt n VAL 89 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1xnt s THR 90 N -1.21 3.15 -0.37 3.34 2.01 -1.26 -4.21 115.64 117.09 1xnt s THR 90 Ca 0.08 0.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.11 1xnt s THR 90 Cb -0.01 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1xnt s THR 90 CO 0.06 -0.04 0.30 -0.94 -0.69 0.00 0.00 174.62 173.31 1xnt s SER 91 N 5.27 6.11 -0.16 3.53 1.04 0.39 -4.68 113.70 125.20 1xnt s SER 91 Ca 0.88 -0.59 -0.28 0.00 0.48 0.00 0.00 55.95 56.45 1xnt s SER 91 Cb -0.37 -2.16 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1xnt s SER 91 CO 0.37 -0.36 0.94 -0.94 0.98 0.00 0.00 173.24 174.23 1xnt s SER 92 N 1.72 7.08 -0.05 7.02 1.04 -1.23 -0.66 113.70 128.62 1xnt s SER 92 Ca 0.07 1.34 -0.02 0.00 0.48 0.00 0.00 55.95 57.82 1xnt s SER 92 Cb -0.18 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 1xnt s SER 92 CO 0.11 -0.48 -0.05 0.49 0.98 0.00 0.00 173.24 174.29 1xnt n PHE 93 N 5.40 0.00 -3.60 5.02 3.72 0.13 -4.95 117.46 123.18 1xnt n PHE 93 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1xnt n PHE 93 Cb 0.48 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1xnt n PHE 93 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1xnt n MET 94 N -3.03 2.66 -4.67 -1.08 2.81 -1.26 -5.05 117.12 107.49 1xnt n MET 94 Ca -0.09 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.50 1xnt n MET 94 Cb 0.57 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.01 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 -0.20 3.64 -0.08 7.83 1.04 -1.26 -4.75 113.70 119.92 1xnt s SER 95 Ca 0.00 -1.69 0.06 0.00 0.48 0.00 0.00 55.95 54.80 1xnt s SER 95 Cb 0.00 0.57 0.30 0.00 0.10 0.00 0.00 66.02 66.99 1xnt s SER 95 CO 0.00 -0.91 0.99 -0.81 0.98 0.00 0.00 173.24 173.49 1xnt n PRO 96 N -1.15 2.35 0.03 4.02 -0.04 -1.26 -4.05 135.00 134.90 1xnt n PRO 96 Ca -0.15 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1xnt n PRO 96 Cb 0.66 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.24 0.54 0.16 3.54 7.64 -1.26 -4.68 113.62 119.79 1xnt n SER 97 Ca 0.10 0.07 0.16 0.00 1.01 0.00 0.00 58.87 60.21 1xnt n SER 97 Cb 0.56 -0.16 0.74 0.00 -1.01 0.00 0.00 64.21 64.34 1xnt n SER 97 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xnt h GLU 98 N 0.00 0.00 -0.53 1.43 3.07 -1.89 -1.97 114.58 114.69 1xnt h GLU 98 Ca 0.00 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.01 1xnt h GLU 98 Cb 0.50 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 1xnt h GLU 98 CO 0.00 0.00 0.61 0.77 -1.40 0.00 0.00 179.01 178.99 1xnt h SER 99 N 0.00 0.00 0.00 1.42 0.02 -1.79 -2.71 113.55 110.49 1xnt h SER 99 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1xnt h SER 99 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 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 -3.57 0.00 -2.12 3.45 1.74 -0.74 -4.67 116.66 110.76 1xnt n ARG 100 Ca 0.10 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.16 1xnt n ARG 100 Cb 0.81 -0.14 0.07 0.00 -1.02 0.00 0.00 32.46 32.18 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 -0.16 -1.13 0.08 0.55 2.88 -1.22 -4.75 113.62 109.87 1xnt n SER 101 Ca 0.00 -1.93 0.06 0.00 -1.33 0.00 0.00 58.87 55.67 1xnt n SER 101 Cb 0.00 0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.77 -3.48 103.07 98.91 1xnt h GLY 102 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1xnt h GLY 102 CO -0.18 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.80 1xnt n SER 103 N -2.82 0.00 -3.94 0.19 7.64 -1.26 -5.01 113.62 108.42 1xnt n SER 103 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.55 1xnt n SER 103 Cb 0.67 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.74 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 2.00 4.55 0.43 6.43 4.22 -1.26 -4.91 114.94 126.40 1xnt s ASN 104 Ca 0.00 -3.31 0.23 0.00 -2.14 0.00 0.00 52.86 47.65 1xnt s ASN 104 Cb 0.00 -1.65 0.86 0.00 1.28 0.00 0.00 41.25 41.73 1xnt s ASN 104 CO 0.00 -0.19 1.80 1.55 -2.04 0.00 0.00 177.10 178.22 1xnt h PRO 105 N 6.14 0.00 -4.57 3.55 0.13 -1.75 -3.41 132.00 132.09 1xnt h PRO 105 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 1xnt h PRO 105 Cb 0.85 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.70 1xnt h PRO 105 CO 0.70 0.24 -0.76 -0.80 -0.23 0.00 0.00 178.00 177.15 1xnt s ASN 106 N -6.21 0.88 0.00 1.44 0.02 -1.26 -1.67 114.94 108.15 1xnt s ASN 106 Ca 0.01 -0.20 0.00 0.00 -1.02 0.00 0.00 52.86 51.65 1xnt s ASN 106 Cb 0.10 -0.08 0.00 0.00 0.02 0.00 0.00 41.25 41.29 1xnt s ASN 106 CO 0.64 0.05 0.00 -1.14 0.02 0.00 0.00 177.10 176.67 1xnt n ARG 107 N 2.67 0.00 -4.09 -0.60 0.63 0.10 -4.98 116.66 110.39 1xnt n ARG 107 Ca -0.15 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.68 1xnt n ARG 107 Cb 0.57 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.37 1xnt n ARG 107 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1xnt s VAL 108 N -2.71 0.51 -0.04 5.15 1.01 -1.26 -0.34 120.40 122.72 1xnt s VAL 108 Ca 0.00 -1.45 -0.31 0.00 0.00 0.00 0.00 61.98 60.23 1xnt s VAL 108 Cb 0.00 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.39 1xnt s VAL 108 CO 0.00 -0.64 0.68 -0.13 0.00 0.00 0.00 175.10 175.01 1xnt s ARG 109 N -2.64 1.07 0.34 2.72 3.00 -0.27 -4.76 118.95 118.40 1xnt s ARG 109 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 55.73 55.97 1xnt s ARG 109 Cb -0.02 0.50 -0.05 0.00 0.00 0.00 0.00 34.95 35.38 1xnt s ARG 109 CO -0.03 -0.34 0.08 -1.64 0.00 0.00 0.00 175.30 173.37 1xnt s MET 110 N -1.34 1.69 0.30 3.54 -1.94 -1.26 -1.22 119.30 119.07 1xnt s MET 110 Ca -0.10 -1.96 0.03 0.00 -1.71 0.00 0.00 55.69 51.94 1xnt s MET 110 Cb -0.00 -0.74 -0.06 0.00 2.01 0.00 0.00 34.83 36.04 1xnt s MET 110 CO 0.09 -0.27 0.07 -0.06 -0.01 0.00 0.00 175.02 174.83 1xnt s PHE 111 N -3.33 1.79 0.00 -0.03 0.40 0.70 -4.95 117.98 112.56 1xnt s PHE 111 Ca 0.33 -1.04 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1xnt s PHE 111 Cb 0.07 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.48 1xnt s PHE 111 CO 0.15 -0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.36 1xnt n GLY 112 N -0.59 4.94 0.16 4.36 0.00 -1.26 -1.38 105.19 111.42 1xnt n GLY 112 Ca -0.02 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.88 1.61 0.13 -1.74 -3.12 132.00 128.00 1xnt h PRO 113 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 1xnt h PRO 113 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1xnt h PRO 113 CO 0.00 0.48 0.50 0.22 -0.23 0.00 0.00 178.00 178.97 1xnt h ASP 114 N 0.00 0.66 -0.36 1.44 1.82 -1.96 -1.66 116.42 116.36 1xnt h ASP 114 Ca -0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1xnt h ASP 114 Cb 1.09 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.05 1xnt h ASP 114 CO 0.06 0.32 0.00 0.29 -1.61 0.00 0.00 179.24 178.30 1xnt n LYS 115 N -4.78 3.13 -4.07 0.28 4.01 -1.23 -4.91 118.16 110.58 1xnt n LYS 115 Ca 0.17 -2.60 -0.32 0.00 -0.51 0.00 0.00 58.31 55.05 1xnt n LYS 115 Cb 0.39 -1.68 -0.16 0.00 -0.51 0.00 0.00 35.03 33.07 1xnt n LYS 115 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1xnt s LEU 116 N -2.07 2.06 -0.05 -0.35 2.96 -0.63 -3.63 118.68 116.97 1xnt s LEU 116 Ca 0.38 -0.65 -0.39 0.00 -0.22 0.00 0.00 54.13 53.25 1xnt s LEU 116 Cb 0.27 -1.36 -0.17 0.00 0.50 0.00 0.00 46.19 45.43 1xnt s LEU 116 CO 0.14 -0.04 1.42 0.55 -1.32 0.00 0.00 176.35 177.09 1xnt n VAL 117 N 4.67 0.08 -0.24 1.68 3.14 -0.64 -4.74 118.33 122.28 1xnt n VAL 117 Ca -0.19 -0.01 -0.07 0.00 -2.96 0.00 0.00 64.34 61.11 1xnt n VAL 117 Cb 0.49 -0.78 0.07 0.00 -1.06 0.00 0.00 33.84 32.56 1xnt n VAL 117 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1xnt h ARG 118 N 5.02 1.10 -0.54 1.45 3.08 -1.94 1.17 114.38 123.72 1xnt h ARG 118 Ca -0.48 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.33 1xnt h ARG 118 Cb 1.35 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 1xnt h ARG 118 CO 0.82 0.97 0.33 0.00 -1.07 0.00 0.00 179.97 181.02 1xnt h ALA 119 N 1.13 0.69 0.10 0.04 0.00 -2.00 -2.94 119.26 116.27 1xnt h ALA 119 Ca 0.22 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 1xnt h ALA 119 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xnt h ALA 119 CO 0.00 0.06 -1.79 0.00 0.00 0.00 0.00 179.25 177.53 1xnt h ALA 120 N 1.23 0.46 -0.95 0.00 0.00 -1.90 -3.35 119.26 114.76 1xnt h ALA 120 Ca 0.21 -1.32 0.29 0.00 0.00 0.00 0.00 54.91 54.09 1xnt h ALA 120 Cb -0.01 0.53 -0.15 0.00 0.00 0.00 0.00 17.79 18.16 1xnt h ALA 120 CO -0.08 1.32 0.35 0.00 0.00 0.00 0.00 179.25 180.85 1xnt h ALA 121 N 0.42 1.58 -0.52 0.00 0.00 0.15 0.85 119.26 121.74 1xnt h ALA 121 Ca -0.34 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xnt h ALA 121 Cb 2.03 0.30 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1xnt h ALA 121 CO 0.11 -0.57 0.00 -0.85 0.00 0.00 0.00 179.25 177.95 1xnt n GLU 122 N -5.20 2.46 -3.34 0.00 0.28 -1.12 -0.68 120.64 113.04 1xnt n GLU 122 Ca 0.27 -1.96 -0.38 0.00 -0.16 0.00 0.00 57.16 54.93 1xnt n GLU 122 Cb 0.86 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 32.16 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 -1.43 4.33 -0.33 3.44 -0.14 0.29 -4.85 119.74 121.05 1xnt s LYS 123 Ca 0.36 0.42 -0.28 0.00 -1.36 0.00 0.00 55.97 55.11 1xnt s LYS 123 Cb 0.20 -3.43 -0.03 0.00 -1.68 0.00 0.00 37.83 32.89 1xnt s LYS 123 CO 0.22 0.17 1.91 1.03 -0.76 0.00 0.00 175.35 177.92 1xnt s ARG 124 N 0.59 3.20 0.32 1.68 0.52 -1.26 -4.30 118.95 119.70 1xnt s ARG 124 Ca 0.25 1.49 0.10 0.00 -0.52 0.00 0.00 55.73 57.04 1xnt s ARG 124 Cb -0.15 -4.26 -0.05 0.00 0.52 0.00 0.00 34.95 31.01 1xnt s ARG 124 CO 0.10 -2.02 -0.03 -1.58 0.02 0.00 0.00 175.30 171.79 1xnt s TRP 125 N 7.52 2.52 0.00 -0.53 0.52 0.18 -4.72 118.94 124.42 1xnt s TRP 125 Ca 0.84 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 56.56 1xnt s TRP 125 Cb -0.24 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 1xnt s TRP 125 CO 0.33 0.55 0.75 -0.40 0.02 0.00 0.00 176.95 178.19 1xnt n ASP 126 N -0.88 0.00 -3.80 2.95 5.75 -0.46 -1.01 116.55 119.10 1xnt n ASP 126 Ca -0.05 -1.51 -0.12 0.00 -0.01 0.00 0.00 54.79 53.10 1xnt n ASP 126 Cb 0.62 -0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 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 0.00 0.60 -0.01 0.11 0.52 -0.39 0.24 118.95 120.02 1xnt s ARG 127 Ca 0.00 -0.26 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1xnt s ARG 127 Cb 0.00 0.26 -0.00 0.00 0.52 0.00 0.00 34.95 35.73 1xnt s ARG 127 CO 0.00 -0.16 0.04 0.54 0.02 0.00 0.00 175.30 175.75 1xnt s VAL 128 N -1.33 0.04 -0.13 3.52 0.11 0.35 -2.21 120.40 120.74 1xnt s VAL 128 Ca -0.14 -0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 1xnt s VAL 128 Cb -0.06 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1xnt s VAL 128 CO 0.03 -0.19 0.02 -0.75 -3.33 0.00 0.00 175.10 170.88 1xnt s LYS 129 N -0.58 3.46 -0.24 1.54 2.20 -0.36 -0.12 119.74 125.64 1xnt s LYS 129 Ca -0.06 -0.39 -0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1xnt s LYS 129 Cb -0.04 -2.98 0.07 0.00 -1.51 0.00 0.00 37.83 33.37 1xnt s LYS 129 CO -0.00 0.49 -0.00 0.42 -0.36 0.00 0.00 175.35 175.90 1xnt s ILE 130 N -0.27 1.21 -0.33 5.43 -1.09 0.05 -0.72 121.20 125.49 1xnt s ILE 130 Ca 0.07 -1.14 -0.04 0.00 -2.23 0.00 0.00 60.65 57.31 1xnt s ILE 130 Cb -0.12 -1.63 0.05 0.00 -1.58 0.00 0.00 42.46 39.18 1xnt s ILE 130 CO 0.02 -0.25 0.06 -0.69 -1.23 0.00 0.00 174.94 172.86 1xnt s VAL 131 N 1.52 3.37 0.52 2.92 1.01 -0.21 -0.07 120.40 129.46 1xnt s VAL 131 Ca -0.01 -1.32 -0.17 0.00 0.00 0.00 0.00 61.98 60.48 1xnt s VAL 131 Cb -0.18 -2.95 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 1xnt s VAL 131 CO -0.10 -0.18 0.99 0.00 0.00 0.00 0.00 175.10 175.81 1xnt s SER 133 N -3.01 -0.81 0.00 0.00 0.01 0.20 -1.26 113.70 108.82 1xnt s SER 133 Ca 0.59 1.35 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1xnt s SER 133 Cb -0.10 1.88 0.00 0.00 0.21 0.00 0.00 66.02 68.00 1xnt s SER 133 CO 0.31 -0.22 0.00 1.67 0.41 0.00 0.00 173.24 175.40 1xnt n GLN 134 N 5.32 0.00 -2.76 12.44 -0.06 0.31 -0.29 117.38 132.34 1xnt n GLN 134 Ca -0.12 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.46 1xnt n GLN 134 Cb 0.50 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.64 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1xnt s PRO 135 N -0.50 3.16 0.00 3.69 0.04 -1.26 -2.14 135.00 137.99 1xnt s PRO 135 Ca 0.00 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1xnt s PRO 135 Cb 0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1xnt s PRO 135 CO 0.00 -1.87 0.58 2.48 0.04 0.00 0.00 177.00 178.23 1xnt n TYR 136 N 8.16 0.00 -3.92 0.56 0.18 -1.26 -4.51 117.16 116.37 1xnt n TYR 136 Ca -0.01 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.71 1xnt n TYR 136 Cb 0.47 0.06 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 1xnt n TYR 136 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1xnt n SER 137 N 0.00 -0.37 0.00 9.48 7.64 -1.26 -4.77 113.62 124.34 1xnt n SER 137 Ca 0.00 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.17 1xnt n SER 137 Cb 0.57 0.74 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1xnt n SER 137 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1xnt n LYS 138 N -0.21 0.00 -0.02 1.43 4.81 -1.26 -4.37 118.16 118.53 1xnt n LYS 138 Ca 0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.43 1xnt n LYS 138 Cb 0.21 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.23 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 -0.55 3.92 -4.70 3.14 5.75 -1.26 -3.25 116.55 119.60 1xnt n ASP 139 Ca 0.00 -0.01 -0.32 0.00 -0.01 0.00 0.00 54.79 54.45 1xnt n ASP 139 Cb 0.00 0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 40.45 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 -3.72 5.19 0.70 -1.12 1.04 -1.26 -4.64 113.70 109.89 1xnt s SER 140 Ca -0.03 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 1xnt s SER 140 Cb 0.01 -1.35 0.08 0.00 0.10 0.00 0.00 66.02 64.86 1xnt s SER 140 CO 0.15 0.25 0.99 -2.16 0.98 0.00 0.00 173.24 173.46 1xnt s PRO 141 N -1.76 2.06 0.00 4.02 0.04 -1.26 -3.80 135.00 134.29 1xnt s PRO 141 Ca 0.22 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1xnt s PRO 141 Cb -0.12 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1xnt s PRO 141 CO 0.13 -1.26 0.00 1.19 0.04 0.00 0.00 177.00 177.09 1xnt n PHE 142 N -2.86 -0.04 0.00 0.56 3.72 -1.26 -4.87 117.46 112.71 1xnt n PHE 142 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1xnt n PHE 142 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xnt n GLY 143 N 0.00 -0.81 3.43 1.37 0.00 -0.89 -1.25 105.19 107.04 1xnt n GLY 143 Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1xnt n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnt s LEU 144 N 0.00 2.45 0.05 0.99 1.02 -1.23 -0.95 118.68 121.02 1xnt s LEU 144 Ca 0.00 -0.89 0.14 0.00 0.02 0.00 0.00 54.13 53.40 1xnt s LEU 144 Cb 0.00 -1.15 -0.16 0.00 0.02 0.00 0.00 46.19 44.90 1xnt s LEU 144 CO 0.00 0.11 0.87 0.28 0.02 0.00 0.00 176.35 177.62 1xnt h SER 145 N 3.08 0.00 -5.86 2.29 0.02 -1.44 -0.12 113.55 111.52 1xnt h SER 145 Ca -0.45 0.00 0.35 0.00 -0.84 0.00 0.00 61.79 60.85 1xnt h SER 145 Cb 1.21 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.63 1xnt h SER 145 CO 0.50 0.75 0.89 0.72 -1.14 0.00 0.00 176.83 178.54 1xnt s PHE 146 N -2.80 -0.03 -0.08 3.45 -0.12 -1.25 -4.52 117.98 112.63 1xnt s PHE 146 Ca -0.02 -0.04 -0.09 0.00 -0.05 0.00 0.00 56.93 56.72 1xnt s PHE 146 Cb 0.08 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 43.03 1xnt s PHE 146 CO 0.81 -0.18 0.24 0.14 -0.05 0.00 0.00 175.22 176.18 1xnt s VAL 147 N -2.27 0.01 0.19 -2.49 -7.23 -1.26 -1.50 120.40 105.86 1xnt s VAL 147 Ca 0.15 -0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 1xnt s VAL 147 Cb 0.06 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.61 1xnt s VAL 147 CO -0.05 -0.07 0.39 -0.13 -0.31 0.00 0.00 175.10 174.93 1xnt s ARG 148 N -0.18 1.30 0.05 4.82 0.52 0.27 -4.88 118.95 120.86 1xnt s ARG 148 Ca -0.03 -1.11 -0.03 0.00 -0.52 0.00 0.00 55.73 54.04 1xnt s ARG 148 Cb -0.03 0.43 -0.03 0.00 0.52 0.00 0.00 34.95 35.85 1xnt s ARG 148 CO 0.01 -0.51 0.02 -0.06 0.02 0.00 0.00 175.30 174.78 1xnt s PHE 149 N -3.95 0.39 -0.22 -0.53 0.08 -1.05 -1.32 117.98 111.38 1xnt s PHE 149 Ca 0.16 -0.86 -0.12 0.00 0.12 0.00 0.00 56.93 56.24 1xnt s PHE 149 Cb 0.01 -0.28 0.07 0.00 -0.57 0.00 0.00 43.02 42.25 1xnt s PHE 149 CO 0.01 -0.38 0.53 -3.38 -0.10 0.00 0.00 175.22 171.90 1xnt s HIS 150 N -3.46 -0.84 -2.00 0.36 -3.43 -0.41 -0.78 115.29 104.72 1xnt s HIS 150 Ca 0.03 1.70 0.22 0.00 -0.80 0.00 0.00 55.06 56.20 1xnt s HIS 150 Cb 0.04 0.44 1.31 0.00 -1.43 0.00 0.00 32.58 32.95 1xnt s HIS 150 CO -0.08 -0.45 1.69 0.45 -2.00 0.00 0.00 174.74 174.35