#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 3.38 -2.87 3.17 -0.04 -1.26 -4.90 135.00 132.47 1xnt n PRO 2 Ca 0.00 -3.26 -0.08 0.00 -0.04 0.00 0.00 63.50 60.12 1xnt n PRO 2 Cb 0.00 -3.05 -0.02 0.00 -0.04 0.00 0.00 33.50 30.39 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 4.70 0.37 -4.98 0.54 1.02 -1.26 -4.16 120.64 116.87 1xnt n GLU 3 Ca 0.43 -1.51 -0.28 0.00 -0.02 0.00 0.00 57.16 55.78 1xnt n GLU 3 Cb 0.38 1.45 -0.16 0.00 -0.02 0.00 0.00 31.44 33.08 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 -2.64 1.66 -0.12 -3.67 -1.09 -1.12 -4.29 121.20 109.93 1xnt s ILE 4 Ca 0.16 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 1xnt s ILE 4 Cb -0.00 -1.43 0.01 0.00 -1.58 0.00 0.00 42.46 39.46 1xnt s ILE 4 CO 0.11 0.47 -0.21 -0.60 -1.23 0.00 0.00 174.94 173.48 1xnt s ARG 5 N 0.09 2.82 0.53 2.79 3.52 -1.26 -4.52 118.95 122.92 1xnt s ARG 5 Ca -0.07 -0.79 -0.16 0.00 -0.13 0.00 0.00 55.73 54.58 1xnt s ARG 5 Cb -0.13 -2.24 -0.07 0.00 -1.56 0.00 0.00 34.95 30.94 1xnt s ARG 5 CO 0.04 0.04 1.00 -0.51 -0.81 0.00 0.00 175.30 175.05 1xnt s LEU 6 N 0.69 3.57 -0.05 -0.88 1.02 -1.26 0.18 118.68 121.95 1xnt s LEU 6 Ca -0.11 1.57 -0.07 0.00 0.02 0.00 0.00 54.13 55.54 1xnt s LEU 6 Cb -0.16 -4.51 -0.03 0.00 0.02 0.00 0.00 46.19 41.51 1xnt s LEU 6 CO 0.02 -0.66 -0.14 -1.14 0.02 0.00 0.00 176.35 174.44 1xnt n ARG 7 N -1.75 0.22 -3.64 1.70 3.00 -0.80 -4.50 116.66 110.88 1xnt n ARG 7 Ca 0.07 0.09 -0.09 0.00 -0.00 0.00 0.00 57.85 57.92 1xnt n ARG 7 Cb 0.54 -0.88 -0.02 0.00 0.00 0.00 0.00 32.46 32.10 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 -2.30 -0.35 -0.92 -0.14 -3.43 -1.26 -5.01 115.29 101.88 1xnt s HIS 8 Ca -0.13 0.02 -0.24 0.00 -0.80 0.00 0.00 55.06 53.91 1xnt s HIS 8 Cb 0.03 0.63 0.04 0.00 -1.43 0.00 0.00 32.58 31.86 1xnt s HIS 8 CO 0.18 -1.02 1.42 0.54 -2.00 0.00 0.00 174.74 173.86 1xnt s VAL 9 N -3.78 3.83 0.12 -5.38 0.11 -1.26 0.03 120.40 114.07 1xnt s VAL 9 Ca 0.06 -0.37 -0.27 0.00 -2.93 0.00 0.00 61.98 58.47 1xnt s VAL 9 Cb -0.03 -4.97 -0.06 0.00 -1.53 0.00 0.00 36.38 29.79 1xnt s VAL 9 CO -0.03 -1.87 1.63 1.62 -3.33 0.00 0.00 175.10 173.12 1xnt h VAL 10 N 6.58 0.38 -3.75 2.04 3.04 -1.71 -3.43 116.25 119.40 1xnt h VAL 10 Ca 0.04 0.00 -0.66 0.00 -1.01 0.00 0.00 66.70 65.07 1xnt h VAL 10 Cb 1.02 0.38 -0.21 0.00 -2.01 0.00 0.00 31.29 30.47 1xnt h VAL 10 CO 1.37 0.00 -0.85 -0.55 -1.01 0.00 0.00 177.57 176.53 1xnt s SER 11 N -4.85 3.23 -0.05 3.17 0.15 -0.41 -4.99 113.70 109.94 1xnt s SER 11 Ca -0.15 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 55.71 1xnt s SER 11 Cb 0.09 -0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1xnt s SER 11 CO 0.65 0.15 0.03 0.00 1.20 0.00 0.00 173.24 175.27 1xnt n SER 13 N 5.10 4.15 0.00 0.00 7.64 0.22 -4.83 113.62 125.89 1xnt n SER 13 Ca -0.08 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.42 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 -0.64 0.00 -3.83 6.43 7.64 -0.99 -1.82 113.62 120.41 1xnt n SER 14 Ca 0.35 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.11 1xnt n SER 14 Cb 0.90 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.97 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 0.18 0.00 1.43 -0.44 -1.26 -3.78 119.66 115.79 1xnt s GLN 15 Ca 0.00 0.15 0.00 0.00 -2.50 0.00 0.00 55.36 53.01 1xnt s GLN 15 Cb 0.00 0.08 0.00 0.00 -1.64 0.00 0.00 33.01 31.45 1xnt s GLN 15 CO 0.00 -0.02 0.00 -0.25 0.50 0.00 0.00 175.29 175.52 1xnt n ASP 16 N 2.91 0.00 -0.05 6.67 8.00 -0.81 -3.35 116.55 129.92 1xnt n ASP 16 Ca -0.13 -0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.02 1xnt n ASP 16 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xnt n SER 17 N -0.92 1.16 0.36 -2.24 3.41 -1.26 -4.04 113.62 110.10 1xnt n SER 17 Ca 0.00 0.31 -0.17 0.00 -0.26 0.00 0.00 58.87 58.75 1xnt n SER 17 Cb 0.00 -0.68 -0.09 0.00 -0.26 0.00 0.00 64.21 63.19 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1xnt h THR 18 N -0.61 0.27 -3.15 6.66 1.35 -2.00 -3.29 112.91 112.13 1xnt h THR 18 Ca 0.00 -0.17 -0.79 0.00 -0.55 0.00 0.00 66.41 64.90 1xnt h THR 18 Cb 0.51 0.32 -0.26 0.00 -1.73 0.00 0.00 68.15 66.98 1xnt h THR 18 CO 0.00 0.02 0.71 1.41 -0.25 0.00 0.00 175.52 177.41 1xnt n HIS 19 N -5.44 4.56 -2.91 4.73 8.25 -1.26 -4.98 115.22 118.17 1xnt n HIS 19 Ca -0.13 -3.53 -0.19 0.00 -0.26 0.00 0.00 57.72 53.61 1xnt n HIS 19 Cb 0.38 -1.70 0.02 0.00 1.12 0.00 0.00 29.99 29.81 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 0.43 1.30 0.00 0.00 0.00 -1.83 -1.36 119.26 117.80 1xnt h ALA 21 Ca -0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xnt h ALA 21 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xnt h ALA 21 CO 0.49 0.08 0.00 1.49 0.00 0.00 0.00 179.25 181.31 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 0.59 114.58 118.04 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 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 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 0.33 1.04 2.35 -1.49 -1.27 115.58 116.54 1xnt h ASN 23 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1xnt h ASN 23 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1xnt h ASN 23 CO 0.00 0.00 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.55 1xnt h LEU 24 N 0.00 0.00 -2.79 1.61 3.38 -1.08 -0.28 115.31 116.15 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 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xnt h LEU 24 CO 0.00 0.16 0.00 -0.07 0.09 0.00 0.00 178.44 178.62 1xnt h LEU 25 N 0.00 0.00 -6.51 1.67 -0.00 -1.42 -3.06 115.31 105.99 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 0.37 0.00 -0.42 0.00 -0.00 0.00 0.00 40.66 40.61 1xnt h LEU 25 CO 0.02 0.00 -0.58 0.29 -0.00 0.00 0.00 178.44 178.17 1xnt n LYS 26 N -3.06 2.29 -0.18 1.13 4.76 -0.12 -4.96 118.16 118.02 1xnt n LYS 26 Ca -0.03 -4.62 -0.13 0.00 -2.87 0.00 0.00 58.31 50.67 1xnt n LYS 26 Cb 0.10 -2.27 -0.10 0.00 -1.84 0.00 0.00 35.03 30.92 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 4.60 -0.73 -3.00 7.82 0.00 -1.68 -3.38 119.26 122.90 1xnt h ALA 27 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xnt h ALA 27 Cb 0.69 1.16 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1xnt h ALA 27 CO 0.80 -1.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.79 1xnt n ASP 28 N -5.24 0.00 0.00 0.00 8.00 -1.26 -4.66 116.55 113.39 1xnt n ASP 28 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1xnt n ASP 28 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xnt n THR 29 N 0.00 0.00 -2.26 -3.53 -2.24 -1.26 -4.00 114.28 100.99 1xnt n THR 29 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xnt n THR 29 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnt n TYR 30 N 0.00 -0.08 -3.78 4.78 4.11 -1.26 -5.16 117.16 115.78 1xnt n TYR 30 Ca 0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.90 57.70 1xnt n TYR 30 Cb 0.00 0.51 -0.09 0.00 -0.00 0.00 0.00 39.34 39.76 1xnt n TYR 30 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xnt s ARG 31 N 0.00 0.63 0.00 -3.48 1.81 -1.26 -5.17 118.95 111.49 1xnt s ARG 31 Ca 0.00 -0.21 0.00 0.00 -1.72 0.00 0.00 55.73 53.81 1xnt s ARG 31 Cb 0.02 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.79 1xnt s ARG 31 CO -0.00 -0.17 0.00 1.63 -0.68 0.00 0.00 175.30 176.08 1xnt n LYS 32 N 1.35 1.56 -3.35 3.54 5.02 -1.26 -4.70 118.16 120.31 1xnt n LYS 32 Ca -0.22 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.69 1xnt n LYS 32 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.51 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1xnt s TRP 33 N -0.34 3.76 -0.03 2.13 -0.00 -0.43 -4.44 118.94 119.59 1xnt s TRP 33 Ca 0.00 1.16 -0.01 0.00 -0.00 0.00 0.00 56.10 57.25 1xnt s TRP 33 Cb 0.00 -2.42 0.03 0.00 -0.00 0.00 0.00 33.47 31.08 1xnt s TRP 33 CO 0.00 0.59 0.06 1.03 -0.00 0.00 0.00 176.95 178.63 1xnt s ARG 34 N -1.19 0.01 0.79 5.86 3.00 -1.19 -3.12 118.95 123.11 1xnt s ARG 34 Ca 0.28 0.20 -0.15 0.00 0.00 0.00 0.00 55.73 56.07 1xnt s ARG 34 Cb -0.18 -0.18 0.01 0.00 0.00 0.00 0.00 34.95 34.60 1xnt s ARG 34 CO 0.17 -0.14 0.73 0.00 0.00 0.00 0.00 175.30 176.06 1xnt n ALA 35 N 3.96 -1.21 0.28 2.13 0.00 0.13 -1.92 120.51 123.88 1xnt n ALA 35 Ca -0.24 -0.33 0.17 0.00 0.00 0.00 0.00 53.44 53.03 1xnt n ALA 35 Cb 0.52 -1.97 0.79 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.74 1.07 -3.69 0.00 0.00 -1.65 -3.25 119.26 111.01 1xnt h ALA 36 Ca -0.45 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1xnt h ALA 36 Cb 1.32 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1xnt h ALA 36 CO 0.42 0.07 -0.17 0.36 0.00 0.00 0.00 179.25 179.93 1xnt n LYS 37 N -3.26 0.20 -0.30 0.00 2.85 -1.26 -4.64 118.16 111.75 1xnt n LYS 37 Ca -0.01 -1.39 0.00 0.00 -1.05 0.00 0.00 58.31 55.86 1xnt n LYS 37 Cb 0.25 1.17 0.00 0.00 -0.65 0.00 0.00 35.03 35.80 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xnt n ALA 38 N -2.01 0.00 -3.27 0.58 0.00 -1.26 -4.36 120.51 110.19 1xnt n ALA 38 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 1xnt n ALA 38 Cb 0.26 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.25 3.47 0.00 0.00 -1.14 -4.76 105.19 107.50 1xnt n GLY 39 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.83 0.20 -0.06 1.61 -0.58 -1.26 -4.59 120.64 112.13 1xnt n GLU 40 Ca -0.15 -0.99 -0.22 0.00 -0.42 0.00 0.00 57.16 55.38 1xnt n GLU 40 Cb 0.61 -3.06 -0.13 0.00 -0.57 0.00 0.00 31.44 28.29 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 7.42 0.66 -3.64 3.49 2.85 -1.26 -2.86 118.16 124.82 1xnt n LYS 41 Ca 0.39 0.37 -0.09 0.00 -1.05 0.00 0.00 58.31 57.92 1xnt n LYS 41 Cb 0.43 -1.69 -0.07 0.00 -0.65 0.00 0.00 35.03 33.05 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 -2.48 0.00 0.01 0.58 -4.23 -1.26 -1.76 115.64 106.50 1xnt s THR 42 Ca -0.27 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.27 1xnt s THR 42 Cb 0.07 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 1xnt s THR 42 CO 0.66 0.00 -0.10 0.27 -0.54 0.00 0.00 174.62 174.91 1xnt s ILE 43 N 1.08 0.82 0.07 2.99 -4.36 -0.55 -4.99 121.20 116.26 1xnt s ILE 43 Ca -0.06 -0.60 0.07 0.00 -0.26 0.00 0.00 60.65 59.80 1xnt s ILE 43 Cb -0.05 -0.72 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 1xnt s ILE 43 CO -0.11 0.11 -0.18 -0.44 0.24 0.00 0.00 174.94 174.55 1xnt s SER 44 N -0.55 2.21 -0.25 4.36 0.01 -0.76 0.32 113.70 119.04 1xnt s SER 44 Ca 0.02 -0.59 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 1xnt s SER 44 Cb -0.05 -0.14 0.12 0.00 0.21 0.00 0.00 66.02 66.16 1xnt s SER 44 CO 0.00 0.06 0.53 0.54 0.41 0.00 0.00 173.24 174.78 1xnt s VAL 45 N -1.02 -0.82 -0.22 3.43 0.11 0.22 0.69 120.40 122.79 1xnt s VAL 45 Ca 0.04 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 1xnt s VAL 45 Cb -0.09 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 1xnt s VAL 45 CO 0.03 0.02 0.26 -0.69 -3.33 0.00 0.00 175.10 171.39 1xnt s VAL 46 N 2.75 5.29 0.09 2.04 1.01 0.55 0.10 120.40 132.23 1xnt s VAL 46 Ca -0.01 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1xnt s VAL 46 Cb -0.12 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1xnt s VAL 46 CO -0.16 0.31 0.14 -0.76 0.00 0.00 0.00 175.10 174.63 1xnt s LEU 47 N 1.13 4.02 0.12 3.92 1.02 0.49 -1.28 118.68 128.09 1xnt s LEU 47 Ca 0.12 0.08 -0.10 0.00 0.02 0.00 0.00 54.13 54.26 1xnt s LEU 47 Cb -0.14 -2.66 -0.06 0.00 0.02 0.00 0.00 46.19 43.35 1xnt s LEU 47 CO 0.06 0.15 0.44 -1.58 0.02 0.00 0.00 176.35 175.44 1xnt s GLN 48 N -2.57 3.79 -0.24 1.70 2.00 0.10 -1.57 119.66 122.88 1xnt s GLN 48 Ca 0.32 0.21 -0.10 0.00 -2.00 0.00 0.00 55.36 53.79 1xnt s GLN 48 Cb -0.12 -2.92 -0.05 0.00 0.80 0.00 0.00 33.01 30.72 1xnt s GLN 48 CO 0.25 0.50 0.14 -0.51 -0.50 0.00 0.00 175.29 175.17 1xnt s LEU 49 N -2.12 3.98 0.00 3.68 2.01 0.45 -1.91 118.68 124.78 1xnt s LEU 49 Ca 0.37 0.05 0.00 0.00 0.01 0.00 0.00 54.13 54.55 1xnt s LEU 49 Cb -0.14 -2.07 0.00 0.00 0.01 0.00 0.00 46.19 43.99 1xnt s LEU 49 CO 0.19 0.04 0.54 1.21 1.01 0.00 0.00 176.35 179.35 1xnt n GLU 50 N 4.43 0.00 -3.64 1.70 0.00 0.13 -4.50 120.64 118.76 1xnt n GLU 50 Ca -0.15 0.11 -0.08 0.00 0.00 0.00 0.00 57.16 57.03 1xnt n GLU 50 Cb 0.52 -1.52 -0.07 0.00 0.00 0.00 0.00 31.44 30.37 1xnt n GLU 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1xnt s LYS 51 N -2.08 0.59 -0.38 5.31 -2.85 -1.26 -5.01 119.74 114.05 1xnt s LYS 51 Ca 0.00 0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 55.51 1xnt s LYS 51 Cb 0.00 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1xnt s LYS 51 CO 0.00 -0.09 1.36 -2.00 0.10 0.00 0.00 175.35 174.72 1xnt s GLU 52 N 0.79 3.70 0.28 1.78 2.12 -1.26 -4.67 118.70 121.44 1xnt s GLU 52 Ca -0.03 1.01 0.04 0.00 0.36 0.00 0.00 54.97 56.35 1xnt s GLU 52 Cb -0.05 -3.97 -0.01 0.00 0.26 0.00 0.00 34.13 30.36 1xnt s GLU 52 CO -0.09 -1.41 0.29 -0.85 -0.54 0.00 0.00 175.26 172.66 1xnt n GLU 53 N 7.81 0.42 -3.32 4.30 -0.00 -0.08 -4.73 120.64 125.04 1xnt n GLU 53 Ca 0.16 -2.60 -0.25 0.00 -0.00 0.00 0.00 57.16 54.47 1xnt n GLU 53 Cb 0.48 2.24 -0.01 0.00 -0.00 0.00 0.00 31.44 34.14 1xnt n GLU 53 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xnt s GLN 54 N -2.97 3.51 -0.18 3.44 -0.21 -1.26 0.27 119.66 122.26 1xnt s GLN 54 Ca 0.30 -0.24 -0.02 0.00 0.02 0.00 0.00 55.36 55.42 1xnt s GLN 54 Cb 0.01 -2.64 -0.01 0.00 1.00 0.00 0.00 33.01 31.37 1xnt s GLN 54 CO 0.21 0.14 -0.08 0.42 -2.12 0.00 0.00 175.29 173.86 1xnt s ILE 55 N -2.30 3.20 -0.06 1.08 1.09 -0.03 -4.45 121.20 119.73 1xnt s ILE 55 Ca 0.41 -0.57 0.06 0.00 -1.10 0.00 0.00 60.65 59.44 1xnt s ILE 55 Cb -0.10 -2.41 -0.08 0.00 -1.06 0.00 0.00 42.46 38.82 1xnt s ILE 55 CO 0.36 0.47 0.02 1.57 -0.10 0.00 0.00 174.94 177.26 1xnt n HIS 56 N 4.26 0.00 -3.78 3.97 -0.00 -1.19 -4.53 115.22 113.95 1xnt n HIS 56 Ca -0.18 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.89 1xnt n HIS 56 Cb 0.51 -0.31 -0.07 0.00 -0.12 0.00 0.00 29.99 30.00 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 -3.77 -0.04 0.04 0.26 0.01 -0.14 -1.61 113.70 108.45 1xnt s SER 57 Ca -0.03 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 1xnt s SER 57 Cb 0.02 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 1xnt s SER 57 CO 0.26 -0.66 0.12 -0.69 0.41 0.00 0.00 173.24 172.67 1xnt s VAL 58 N -3.04 0.12 -0.27 3.43 1.01 0.18 -0.88 120.40 120.95 1xnt s VAL 58 Ca -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1xnt s VAL 58 Cb 0.01 -0.87 0.09 0.00 0.00 0.00 0.00 36.38 35.61 1xnt s VAL 58 CO -0.06 -0.57 0.12 -0.62 0.00 0.00 0.00 175.10 173.97 1xnt s ASP 59 N -2.08 3.40 0.00 3.32 2.15 0.20 0.35 116.67 124.02 1xnt s ASP 59 Ca -0.06 -1.21 0.06 0.00 0.43 0.00 0.00 52.55 51.77 1xnt s ASP 59 Cb -0.02 -0.39 -0.02 0.00 -0.30 0.00 0.00 42.92 42.20 1xnt s ASP 59 CO -0.04 -0.42 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.73 1xnt s ILE 60 N 2.06 1.43 -0.07 4.11 1.01 -0.21 0.82 121.20 130.35 1xnt s ILE 60 Ca 0.08 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1xnt s ILE 60 Cb -0.16 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1xnt s ILE 60 CO -0.31 0.33 -0.12 -0.83 0.00 0.00 0.00 174.94 174.00 1xnt s GLY 61 N -0.62 1.58 0.13 6.18 0.00 -0.67 -1.18 107.32 112.73 1xnt s GLY 61 Ca 0.07 -0.94 -0.24 0.00 0.00 0.00 0.00 44.72 43.61 1xnt s GLY 61 CO -0.00 -0.62 0.73 0.54 0.00 0.00 0.00 173.10 173.76 1xnt s ASN 62 N -0.51 7.30 -0.80 1.64 2.20 -0.10 -1.44 114.94 123.22 1xnt s ASN 62 Ca 0.07 1.54 0.02 0.00 -0.94 0.00 0.00 52.86 53.55 1xnt s ASN 62 Cb -0.12 -2.47 0.30 0.00 -2.00 0.00 0.00 41.25 36.97 1xnt s ASN 62 CO 0.02 0.20 1.16 -0.67 -2.94 0.00 0.00 177.10 174.87 1xnt n ASP 63 N 1.79 5.22 0.00 3.54 2.03 -0.14 -3.16 116.55 125.83 1xnt n ASP 63 Ca -0.06 -3.54 0.00 0.00 0.52 0.00 0.00 54.79 51.71 1xnt n ASP 63 Cb 0.49 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 0.53 3.21 3.28 0.27 0.00 -0.85 -3.55 105.19 108.09 1xnt n GLY 64 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1xnt n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 65 N -0.01 -1.15 0.00 1.61 0.01 -1.25 -4.82 113.70 108.09 1xnt s SER 65 Ca 0.00 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1xnt s SER 65 Cb 0.00 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1xnt s SER 65 CO 0.00 -5.43 0.00 0.00 0.41 0.00 0.00 173.24 168.22 1xnt n ALA 66 N -5.69 3.00 -2.79 1.44 0.00 -1.26 -4.19 120.51 111.02 1xnt n ALA 66 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 1xnt n ALA 66 Cb 0.60 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 20.06 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 3.34 -0.21 0.00 0.08 -0.14 -0.29 117.98 118.77 1xnt s PHE 67 Ca 0.00 0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.25 1xnt s PHE 67 Cb 0.00 -2.06 0.06 0.00 -0.57 0.00 0.00 43.02 40.46 1xnt s PHE 67 CO 0.00 0.31 0.05 0.08 -0.10 0.00 0.00 175.22 175.56 1xnt s VAL 68 N 0.04 0.50 -0.01 -0.44 1.01 -0.08 0.60 120.40 122.02 1xnt s VAL 68 Ca 0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1xnt s VAL 68 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1xnt s VAL 68 CO 0.00 -0.27 0.12 -0.70 0.00 0.00 0.00 175.10 174.26 1xnt s GLU 69 N 1.86 3.22 -0.06 2.72 2.12 0.01 0.31 118.70 128.88 1xnt s GLU 69 Ca 0.00 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.94 1xnt s GLU 69 Cb -0.17 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.28 1xnt s GLU 69 CO -0.10 0.66 -0.07 0.08 -0.54 0.00 0.00 175.26 175.29 1xnt s VAL 70 N -1.24 0.78 0.26 3.70 1.01 -0.64 -1.36 120.40 122.92 1xnt s VAL 70 Ca 0.24 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.06 1xnt s VAL 70 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1xnt s VAL 70 CO 0.15 0.28 -0.01 -0.76 0.00 0.00 0.00 175.10 174.77 1xnt s LEU 71 N 0.91 3.19 0.20 3.92 1.02 -0.38 -1.77 118.68 125.77 1xnt s LEU 71 Ca -0.11 -0.65 0.11 0.00 0.02 0.00 0.00 54.13 53.50 1xnt s LEU 71 Cb -0.15 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 1xnt s LEU 71 CO 0.01 0.00 -0.22 0.68 0.02 0.00 0.00 176.35 176.84 1xnt s VAL 72 N -2.32 2.21 -0.02 -1.59 -7.23 -0.39 -1.36 120.40 109.70 1xnt s VAL 72 Ca 0.31 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 1xnt s VAL 72 Cb -0.06 -2.07 0.12 0.00 0.56 0.00 0.00 36.38 34.93 1xnt s VAL 72 CO 0.20 -0.22 1.30 -0.83 -0.31 0.00 0.00 175.10 175.24 1xnt s GLY 73 N -2.81 -0.40 0.42 2.32 0.00 -0.28 -0.83 107.32 105.74 1xnt s GLY 73 Ca 0.21 0.66 0.07 0.00 0.00 0.00 0.00 44.72 45.66 1xnt s GLY 73 CO 0.10 0.58 0.13 -0.45 0.00 0.00 0.00 173.10 173.45 1xnt s SER 74 N -3.05 4.25 0.00 1.64 0.15 -1.26 0.13 113.70 115.56 1xnt s SER 74 Ca 0.15 -1.19 0.26 0.00 0.70 0.00 0.00 55.95 55.87 1xnt s SER 74 Cb 0.05 -0.40 1.50 0.00 -1.71 0.00 0.00 66.02 65.45 1xnt s SER 74 CO -0.04 -0.54 1.89 -1.54 1.20 0.00 0.00 173.24 174.21 1xnt n SER 75 N -1.17 0.00 -4.53 5.45 3.41 -1.26 -4.77 113.62 110.75 1xnt n SER 75 Ca -0.03 -0.69 -0.38 0.00 -0.26 0.00 0.00 58.87 57.51 1xnt n SER 75 Cb 0.65 -0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.05 -0.59 0.00 7.33 0.00 -1.26 -2.50 120.51 122.44 1xnt n ALA 76 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1xnt n ALA 76 Cb 0.11 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 1.57 1.51 0.00 0.00 0.00 -1.26 -4.83 105.19 102.18 1xnt n GLY 77 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.51 2.98 -0.02 0.00 -1.04 -4.90 105.19 102.71 1xnt n GLY 78 Ca 0.00 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt n ALA 79 N -1.00 3.88 -0.08 4.61 0.00 -1.26 -4.52 120.51 122.14 1xnt n ALA 79 Ca 0.00 -3.27 -0.18 0.00 0.00 0.00 0.00 53.44 49.99 1xnt n ALA 79 Cb 0.00 -3.55 -0.12 0.00 0.00 0.00 0.00 19.45 15.77 1xnt n ALA 79 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xnt h GLY 80 N 12.52 0.03 -2.12 0.00 0.00 -1.90 -3.47 103.07 108.12 1xnt h GLY 80 Ca 0.46 -0.07 -0.41 0.00 0.00 0.00 0.00 47.33 47.31 1xnt h GLY 80 CO 1.90 0.06 -0.45 1.18 0.00 0.00 0.00 176.54 179.23 1xnt n GLU 81 N -4.46 -1.59 -0.58 4.80 -0.58 -1.26 -4.75 120.64 112.21 1xnt n GLU 81 Ca -0.22 1.08 -0.00 0.00 -0.42 0.00 0.00 57.16 57.60 1xnt n GLU 81 Cb 0.62 -5.61 -0.00 0.00 -0.57 0.00 0.00 31.44 25.87 1xnt n GLU 81 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1xnt n GLN 82 N -2.69 0.00 -2.62 3.49 7.27 -1.26 -4.93 117.38 116.63 1xnt n GLN 82 Ca -0.22 -0.63 -0.17 0.00 0.07 0.00 0.00 57.00 56.05 1xnt n GLN 82 Cb 0.67 -0.21 0.01 0.00 2.41 0.00 0.00 30.24 33.13 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1xnt n ASP 83 N 0.03 2.78 -4.41 1.69 2.03 -1.26 -5.07 116.55 112.34 1xnt n ASP 83 Ca -0.01 -3.15 -0.28 0.00 0.52 0.00 0.00 54.79 51.87 1xnt n ASP 83 Cb 0.64 -0.51 -0.12 0.00 -0.72 0.00 0.00 41.12 40.41 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 -3.26 2.33 0.00 -0.67 1.51 -1.26 -4.61 117.35 111.39 1xnt s TYR 84 Ca 0.36 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1xnt s TYR 84 Cb 0.43 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1xnt s TYR 84 CO -0.06 0.41 -0.06 -1.83 -1.11 0.00 0.00 175.55 172.89 1xnt s GLU 85 N -2.32 2.57 -0.88 -0.62 4.04 -0.01 -4.83 118.70 116.65 1xnt s GLU 85 Ca 0.17 -0.71 -0.26 0.00 0.04 0.00 0.00 54.97 54.21 1xnt s GLU 85 Cb -0.09 -2.51 -0.13 0.00 0.02 0.00 0.00 34.13 31.42 1xnt s GLU 85 CO 0.08 0.60 2.24 0.08 -1.84 0.00 0.00 175.26 176.42 1xnt s VAL 86 N -1.00 3.14 0.15 1.83 1.01 -1.26 -1.26 120.40 123.01 1xnt s VAL 86 Ca 0.17 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 1xnt s VAL 86 Cb -0.11 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1xnt s VAL 86 CO 0.08 -0.29 1.77 0.25 0.00 0.00 0.00 175.10 176.90 1xnt h LEU 87 N 21.21 0.52 -7.28 3.92 5.85 -1.81 -3.43 115.31 134.30 1xnt h LEU 87 Ca 0.04 -0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.48 1xnt h LEU 87 Cb 1.00 -0.13 -0.31 0.00 0.37 0.00 0.00 40.66 41.58 1xnt h LEU 87 CO 1.07 0.43 -0.51 -1.48 -0.34 0.00 0.00 178.44 177.61 1xnt s LEU 88 N -10.03 0.05 0.00 2.25 0.05 -0.73 -1.16 118.68 109.11 1xnt s LEU 88 Ca -0.13 0.55 -0.11 0.00 0.05 0.00 0.00 54.13 54.49 1xnt s LEU 88 Cb 0.11 0.70 0.17 0.00 -2.05 0.00 0.00 46.19 45.12 1xnt s LEU 88 CO 0.74 -0.20 0.38 1.33 -0.55 0.00 0.00 176.35 178.04 1xnt n VAL 89 N 4.81 0.00 -2.31 1.48 0.24 -1.26 -1.62 118.33 119.67 1xnt n VAL 89 Ca -0.15 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 1xnt n VAL 89 Cb 0.51 -0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.51 3.51 -0.23 3.34 -1.32 -1.26 -4.11 115.64 114.06 1xnt s THR 90 Ca 0.29 1.20 -0.12 0.00 -1.21 0.00 0.00 61.69 61.85 1xnt s THR 90 Cb -0.05 -3.77 -0.05 0.00 -1.51 0.00 0.00 72.50 67.13 1xnt s THR 90 CO 0.25 0.16 0.23 -0.94 -2.21 0.00 0.00 174.62 172.11 1xnt s SER 91 N 0.48 6.21 -0.57 8.08 1.04 0.15 -4.65 113.70 124.44 1xnt s SER 91 Ca 0.57 0.23 -0.21 0.00 0.48 0.00 0.00 55.95 57.02 1xnt s SER 91 Cb -0.34 -2.14 0.07 0.00 0.10 0.00 0.00 66.02 63.71 1xnt s SER 91 CO 0.35 0.02 0.78 -0.94 0.98 0.00 0.00 173.24 174.43 1xnt s SER 92 N 1.06 6.22 -0.27 7.02 1.04 -1.25 -0.90 113.70 126.63 1xnt s SER 92 Ca 0.11 -0.95 -0.10 0.00 0.48 0.00 0.00 55.95 55.49 1xnt s SER 92 Cb -0.14 -2.35 -0.14 0.00 0.10 0.00 0.00 66.02 63.49 1xnt s SER 92 CO 0.06 -1.13 -0.27 0.49 0.98 0.00 0.00 173.24 173.37 1xnt n PHE 93 N 6.80 0.11 -2.75 5.02 3.72 0.60 -4.99 117.46 125.97 1xnt n PHE 93 Ca -0.05 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1xnt n PHE 93 Cb 0.45 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.98 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 -3.97 3.98 -1.27 -1.08 2.81 -1.24 -5.05 117.12 111.30 1xnt n MET 94 Ca -0.50 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.38 1xnt n MET 94 Cb 0.91 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.42 1xnt n MET 94 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1xnt n SER 95 N 0.00 -0.20 -0.12 7.83 3.41 -1.26 -4.68 113.62 118.61 1xnt n SER 95 Ca 0.00 -1.14 0.03 0.00 -0.26 0.00 0.00 58.87 57.50 1xnt n SER 95 Cb 0.00 0.33 0.16 0.00 -0.26 0.00 0.00 64.21 64.44 1xnt n SER 95 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1xnt n PRO 96 N -0.05 1.15 0.09 4.33 -0.04 -1.26 -3.51 135.00 135.71 1xnt n PRO 96 Ca -0.01 -0.23 -0.20 0.00 -0.04 0.00 0.00 63.50 63.02 1xnt n PRO 96 Cb 0.05 -1.12 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 1xnt n PRO 96 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xnt h SER 97 N 0.40 0.55 -0.50 3.54 0.87 -1.95 -3.25 113.55 113.20 1xnt h SER 97 Ca 0.00 -0.70 0.02 0.00 -1.23 0.00 0.00 61.79 59.88 1xnt h SER 97 Cb 0.09 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1xnt h SER 97 CO 0.00 1.58 0.33 1.05 -0.53 0.00 0.00 176.83 179.26 1xnt h GLU 98 N 0.10 0.59 0.00 2.24 -0.00 -1.70 0.54 114.58 116.35 1xnt h GLU 98 Ca -0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 1xnt h GLU 98 Cb 2.06 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 30.68 1xnt h GLU 98 CO 0.19 0.39 0.00 0.45 -0.00 0.00 0.00 179.01 180.05 1xnt n SER 99 N -4.47 0.00 -0.07 3.06 2.88 -1.23 -1.65 113.62 112.15 1xnt n SER 99 Ca 0.05 0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.63 1xnt n SER 99 Cb 0.10 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 1xnt n SER 99 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xnt n ARG 100 N -1.36 0.32 -1.47 -1.46 5.12 0.16 -4.80 116.66 113.16 1xnt n ARG 100 Ca 0.08 0.14 -0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1xnt n ARG 100 Cb 0.19 -1.04 0.10 0.00 -1.16 0.00 0.00 32.46 30.55 1xnt n ARG 100 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1xnt n SER 101 N -3.77 3.49 -1.78 0.55 7.64 0.68 -4.95 113.62 115.48 1xnt n SER 101 Ca -0.25 -3.73 -0.11 0.00 1.01 0.00 0.00 58.87 55.79 1xnt n SER 101 Cb 0.61 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 1xnt n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xnt n GLY 102 N -0.85 0.41 3.56 0.23 0.00 -0.66 -4.79 105.19 103.10 1xnt n GLY 102 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.96 4.33 -0.38 1.61 0.01 -1.25 -3.76 113.70 112.30 1xnt s SER 103 Ca 0.00 -0.34 -0.23 0.00 1.31 0.00 0.00 55.95 56.69 1xnt s SER 103 Cb 0.00 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.71 1xnt s SER 103 CO 0.00 -3.52 0.51 -0.46 0.41 0.00 0.00 173.24 170.18 1xnt n ASN 104 N 16.96 -6.72 0.15 2.44 0.23 -1.26 -4.06 115.26 122.99 1xnt n ASN 104 Ca 0.44 0.30 0.02 0.00 -0.53 0.00 0.00 54.58 54.81 1xnt n ASN 104 Cb 0.45 -3.30 0.11 0.00 -2.08 0.00 0.00 39.78 34.96 1xnt n ASN 104 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1xnt h PRO 105 N 2.32 0.00 -3.97 -0.53 0.13 -1.86 -3.42 132.00 124.67 1xnt h PRO 105 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 1xnt h PRO 105 Cb 1.09 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.83 1xnt h PRO 105 CO 0.18 0.52 -0.77 -0.80 -0.23 0.00 0.00 178.00 176.89 1xnt s ASN 106 N -6.48 3.46 0.28 1.44 0.02 -1.26 -2.00 114.94 110.41 1xnt s ASN 106 Ca 0.02 -1.06 0.02 0.00 -1.02 0.00 0.00 52.86 50.83 1xnt s ASN 106 Cb 0.09 -0.91 -0.06 0.00 0.02 0.00 0.00 41.25 40.39 1xnt s ASN 106 CO 0.73 -0.28 0.08 -0.13 0.02 0.00 0.00 177.10 177.53 1xnt s ARG 107 N 1.60 1.49 0.15 -0.60 1.81 -1.19 -5.02 118.95 117.20 1xnt s ARG 107 Ca -0.03 -1.81 -0.00 0.00 -1.72 0.00 0.00 55.73 52.17 1xnt s ARG 107 Cb -0.18 -0.49 -0.04 0.00 -0.45 0.00 0.00 34.95 33.79 1xnt s ARG 107 CO -0.08 -0.25 0.05 0.14 -0.68 0.00 0.00 175.30 174.48 1xnt s VAL 108 N -3.58 0.27 0.18 3.52 -7.23 -1.26 -0.92 120.40 111.37 1xnt s VAL 108 Ca 0.37 -1.94 -0.23 0.00 -1.81 0.00 0.00 61.98 58.37 1xnt s VAL 108 Cb 0.08 -2.13 0.06 0.00 0.56 0.00 0.00 36.38 34.95 1xnt s VAL 108 CO 0.14 -0.41 0.63 -0.60 -0.31 0.00 0.00 175.10 174.55 1xnt s ARG 109 N -4.02 1.37 0.30 4.82 6.06 -0.33 -4.87 118.95 122.29 1xnt s ARG 109 Ca 0.26 -0.57 0.08 0.00 -2.50 0.00 0.00 55.73 53.00 1xnt s ARG 109 Cb 0.07 0.59 -0.06 0.00 0.06 0.00 0.00 34.95 35.61 1xnt s ARG 109 CO 0.04 -0.61 -0.08 -1.64 -2.50 0.00 0.00 175.30 170.51 1xnt s MET 110 N -3.77 1.65 -0.29 5.12 -1.94 -1.26 -1.04 119.30 117.77 1xnt s MET 110 Ca 0.03 -1.84 -0.01 0.00 -1.71 0.00 0.00 55.69 52.16 1xnt s MET 110 Cb -0.02 -1.40 0.09 0.00 2.01 0.00 0.00 34.83 35.52 1xnt s MET 110 CO -0.09 0.10 0.08 -0.06 -0.01 0.00 0.00 175.02 175.04 1xnt s PHE 111 N -2.83 1.61 0.00 -0.03 0.40 0.16 -4.91 117.98 112.37 1xnt s PHE 111 Ca 0.30 -1.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.04 1xnt s PHE 111 Cb 0.03 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1xnt s PHE 111 CO 0.14 -0.84 0.00 0.41 0.70 0.00 0.00 175.22 175.63 1xnt n GLY 112 N 4.88 0.91 0.15 4.36 0.00 -1.26 0.47 105.19 114.70 1xnt n GLY 112 Ca -0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 0.31 0.00 1.61 0.13 -1.64 -3.18 132.00 129.23 1xnt h PRO 113 Ca 0.00 -0.30 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 1xnt h PRO 113 Cb 0.00 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 1xnt h PRO 113 CO 0.00 0.98 -0.20 0.22 -0.23 0.00 0.00 178.00 178.78 1xnt h ASP 114 N 0.19 0.00 -0.25 1.44 3.58 -1.92 -1.83 116.42 117.63 1xnt h ASP 114 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1xnt h ASP 114 Cb 1.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.49 1xnt h ASP 114 CO 0.14 0.20 0.00 0.29 -2.88 0.00 0.00 179.24 176.99 1xnt n LYS 115 N -3.97 2.09 -4.66 0.28 5.02 -1.20 -4.89 118.16 110.83 1xnt n LYS 115 Ca -0.02 -1.63 -0.24 0.00 -2.02 0.00 0.00 58.31 54.40 1xnt n LYS 115 Cb 0.28 -1.45 -0.14 0.00 -0.02 0.00 0.00 35.03 33.70 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1xnt s LEU 116 N -1.57 2.10 0.31 -0.35 0.05 -0.69 -4.21 118.68 114.32 1xnt s LEU 116 Ca 0.35 -0.40 -0.29 0.00 0.05 0.00 0.00 54.13 53.83 1xnt s LEU 116 Cb 0.20 -0.84 -0.11 0.00 -2.05 0.00 0.00 46.19 43.39 1xnt s LEU 116 CO 0.29 0.16 1.48 0.54 -0.55 0.00 0.00 176.35 178.26 1xnt s VAL 117 N -0.62 2.30 0.13 1.48 0.11 -0.31 -4.85 120.40 118.65 1xnt s VAL 117 Ca 0.06 0.28 -0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1xnt s VAL 117 Cb -0.07 -3.18 -0.19 0.00 -1.53 0.00 0.00 36.38 31.41 1xnt s VAL 117 CO 0.00 0.05 1.30 0.03 -3.33 0.00 0.00 175.10 173.16 1xnt h ARG 118 N 4.08 0.25 0.00 1.54 3.08 -1.93 0.45 114.38 121.85 1xnt h ARG 118 Ca -0.48 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.25 1xnt h ARG 118 Cb 1.23 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1xnt h ARG 118 CO 0.72 1.05 -0.07 0.00 -1.07 0.00 0.00 179.97 180.60 1xnt h ALA 119 N 0.83 1.18 0.00 0.04 0.00 -2.00 -3.05 119.26 116.27 1xnt h ALA 119 Ca -0.07 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1xnt h ALA 119 Cb 1.64 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1xnt h ALA 119 CO 0.16 0.09 -1.63 0.00 0.00 0.00 0.00 179.25 177.86 1xnt n ALA 120 N -2.20 2.11 -0.31 0.00 0.00 -1.18 -4.49 120.51 114.44 1xnt n ALA 120 Ca -0.02 -0.45 0.24 0.00 0.00 0.00 0.00 53.44 53.21 1xnt n ALA 120 Cb 0.21 0.32 0.54 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.29 2.35 -0.01 0.00 0.00 -0.19 0.90 119.26 122.03 1xnt h ALA 121 Ca -0.27 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xnt h ALA 121 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xnt h ALA 121 CO -0.13 -0.73 0.00 -0.85 0.00 0.00 0.00 179.25 177.53 1xnt n GLU 122 N -4.56 1.26 -3.46 0.00 -0.00 -1.15 -0.85 120.64 111.89 1xnt n GLU 122 Ca 0.25 -0.38 -0.38 0.00 -0.00 0.00 0.00 57.16 56.65 1xnt n GLU 122 Cb 0.91 -1.47 -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 -1.99 4.09 -0.33 3.44 1.02 0.31 -4.84 119.74 121.44 1xnt s LYS 123 Ca 0.42 0.36 -0.29 0.00 0.02 0.00 0.00 55.97 56.49 1xnt s LYS 123 Cb 0.21 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1xnt s LYS 123 CO 0.34 0.47 1.71 1.03 -0.92 0.00 0.00 175.35 177.98 1xnt s ARG 124 N -0.34 3.43 0.30 1.68 0.52 -1.26 -4.30 118.95 118.98 1xnt s ARG 124 Ca 0.23 1.38 0.09 0.00 -0.52 0.00 0.00 55.73 56.91 1xnt s ARG 124 Cb -0.16 -4.15 -0.04 0.00 0.52 0.00 0.00 34.95 31.12 1xnt s ARG 124 CO 0.11 -1.74 0.03 -1.58 0.02 0.00 0.00 175.30 172.14 1xnt s TRP 125 N 6.44 2.66 -0.00 -0.53 0.52 0.14 -4.66 118.94 123.51 1xnt s TRP 125 Ca 0.76 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.58 1xnt s TRP 125 Cb -0.21 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.75 1xnt s TRP 125 CO 0.33 0.52 0.66 -0.40 0.02 0.00 0.00 176.95 178.09 1xnt n ASP 126 N -0.97 0.26 -3.86 2.95 5.68 -0.42 -0.90 116.55 119.29 1xnt n ASP 126 Ca -0.05 -1.35 -0.12 0.00 -0.50 0.00 0.00 54.79 52.77 1xnt n ASP 126 Cb 0.60 -0.05 -0.13 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.18 0.17 0.00 0.11 0.52 0.12 -0.41 118.95 119.28 1xnt s ARG 127 Ca 0.01 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1xnt s ARG 127 Cb 0.01 0.07 -0.00 0.00 0.52 0.00 0.00 34.95 35.55 1xnt s ARG 127 CO 0.00 -0.03 -0.02 0.54 0.02 0.00 0.00 175.30 175.82 1xnt s VAL 128 N -0.29 0.12 -0.28 3.52 0.11 -0.61 -1.13 120.40 121.84 1xnt s VAL 128 Ca -0.03 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.75 1xnt s VAL 128 Cb -0.02 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1xnt s VAL 128 CO 0.00 -0.04 0.13 -0.75 -3.33 0.00 0.00 175.10 171.11 1xnt s LYS 129 N -0.22 3.61 -0.25 1.54 2.20 -0.46 -0.38 119.74 125.77 1xnt s LYS 129 Ca -0.01 -0.53 -0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1xnt s LYS 129 Cb -0.02 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1xnt s LYS 129 CO -0.00 -0.27 0.05 0.42 -0.36 0.00 0.00 175.35 175.19 1xnt s ILE 130 N 1.65 4.12 -0.13 5.43 -1.09 0.11 -1.24 121.20 130.05 1xnt s ILE 130 Ca 0.06 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 1xnt s ILE 130 Cb -0.16 -2.94 0.02 0.00 -1.58 0.00 0.00 42.46 37.80 1xnt s ILE 130 CO 0.06 0.32 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.28 1xnt s VAL 131 N 1.58 1.39 0.29 2.92 1.01 -0.46 0.71 120.40 127.83 1xnt s VAL 131 Ca 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1xnt s VAL 131 Cb -0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1xnt s VAL 131 CO 0.02 0.43 0.52 0.00 0.00 0.00 0.00 175.10 176.07 1xnt s SER 133 N -3.36 -0.54 0.00 0.00 0.01 0.20 -1.49 113.70 108.52 1xnt s SER 133 Ca 0.42 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.79 1xnt s SER 133 Cb -0.11 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.46 1xnt s SER 133 CO 0.31 -0.22 0.00 1.67 0.41 0.00 0.00 173.24 175.41 1xnt n GLN 134 N 4.96 0.00 -2.37 12.44 0.00 -0.72 -0.97 117.38 130.72 1xnt n GLN 134 Ca -0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.44 1xnt n GLN 134 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.73 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1xnt s PRO 135 N 0.00 3.18 0.00 3.69 0.04 -1.21 -4.31 135.00 136.39 1xnt s PRO 135 Ca 0.00 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1xnt s PRO 135 Cb 0.00 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1xnt s PRO 135 CO 0.00 -2.09 0.00 2.48 0.04 0.00 0.00 177.00 177.43 1xnt n TYR 136 N 9.99 0.00 -3.61 0.56 0.18 -1.13 -4.87 117.16 118.27 1xnt n TYR 136 Ca 0.12 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.76 1xnt n TYR 136 Cb 0.50 0.00 0.01 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 -0.35 1.84 0.00 9.48 7.64 -1.26 -4.95 113.62 126.01 1xnt n SER 137 Ca 0.00 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1xnt n SER 137 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.27 0.00 -0.06 1.43 4.81 -1.26 -3.85 118.16 117.96 1xnt n LYS 138 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.38 1xnt n LYS 138 Cb 0.34 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.32 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 -1.69 2.76 -4.81 3.14 5.75 -1.26 -2.91 116.55 117.54 1xnt n ASP 139 Ca 0.00 -0.03 -0.34 0.00 -0.01 0.00 0.00 54.79 54.40 1xnt n ASP 139 Cb 0.00 0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 40.32 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 -4.70 5.88 0.66 -1.12 1.04 -1.26 -4.57 113.70 109.63 1xnt s SER 140 Ca -0.11 0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 1xnt s SER 140 Cb 0.04 -1.77 0.04 0.00 0.10 0.00 0.00 66.02 64.42 1xnt s SER 140 CO 0.35 0.33 0.24 -0.81 0.98 0.00 0.00 173.24 174.33 1xnt n PRO 141 N 1.53 0.18 -3.16 4.02 -0.04 -1.26 -4.09 135.00 132.18 1xnt n PRO 141 Ca -0.15 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 1xnt n PRO 141 Cb 0.53 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 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 -1.96 0.00 0.00 0.54 3.72 -1.26 -4.91 117.46 113.59 1xnt n PHE 142 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1xnt n PHE 142 Cb 0.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.56 3.60 1.37 0.00 -1.23 0.19 105.19 108.56 1xnt n GLY 143 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 3.06 -0.01 0.99 1.02 -1.18 -0.97 118.68 121.59 1xnt s LEU 144 Ca 0.00 -0.67 0.16 0.00 0.02 0.00 0.00 54.13 53.65 1xnt s LEU 144 Cb 0.00 -1.63 -0.19 0.00 0.02 0.00 0.00 46.19 44.39 1xnt s LEU 144 CO 0.00 0.04 0.64 -1.20 0.02 0.00 0.00 176.35 175.85 1xnt n SER 145 N -0.60 0.66 -3.60 2.29 7.64 -0.52 -1.31 113.62 118.17 1xnt n SER 145 Ca -0.07 0.30 0.01 0.00 1.01 0.00 0.00 58.87 60.11 1xnt n SER 145 Cb 0.58 0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 64.15 1xnt n SER 145 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1xnt s PHE 146 N -2.83 -0.05 -0.13 1.43 -0.12 -1.23 -4.63 117.98 110.43 1xnt s PHE 146 Ca -0.05 -0.02 -0.05 0.00 -0.05 0.00 0.00 56.93 56.76 1xnt s PHE 146 Cb 0.08 0.53 0.06 0.00 -0.63 0.00 0.00 43.02 43.06 1xnt s PHE 146 CO 0.82 -0.19 0.27 0.14 -0.05 0.00 0.00 175.22 176.21 1xnt s VAL 147 N -2.31 -0.32 -0.20 -2.49 -7.23 -1.26 -1.66 120.40 104.92 1xnt s VAL 147 Ca 0.13 0.24 -0.02 0.00 -1.81 0.00 0.00 61.98 60.52 1xnt s VAL 147 Cb 0.04 -0.44 0.06 0.00 0.56 0.00 0.00 36.38 36.60 1xnt s VAL 147 CO -0.04 0.10 0.02 -0.13 -0.31 0.00 0.00 175.10 174.73 1xnt s ARG 148 N 2.12 0.87 0.36 4.82 1.81 0.24 -4.96 118.95 124.20 1xnt s ARG 148 Ca -0.02 -0.55 -0.08 0.00 -1.72 0.00 0.00 55.73 53.36 1xnt s ARG 148 Cb -0.12 -2.23 -0.06 0.00 -0.45 0.00 0.00 34.95 32.10 1xnt s ARG 148 CO -0.09 -0.63 0.68 -0.06 -0.68 0.00 0.00 175.30 174.52 1xnt s PHE 149 N 1.75 3.47 -0.17 -0.53 0.08 -1.26 0.61 117.98 121.94 1xnt s PHE 149 Ca -0.02 0.87 -0.07 0.00 0.12 0.00 0.00 56.93 57.83 1xnt s PHE 149 Cb -0.17 -2.30 0.07 0.00 -0.57 0.00 0.00 43.02 40.05 1xnt s PHE 149 CO -0.08 0.01 0.36 -1.01 -0.10 0.00 0.00 175.22 174.40 1xnt s HIS 150 N -2.25 -0.61 -2.00 0.36 3.76 -0.05 -2.79 115.29 111.70 1xnt s HIS 150 Ca 0.48 1.26 0.30 0.00 -0.15 0.00 0.00 55.06 56.95 1xnt s HIS 150 Cb -0.10 0.18 1.79 0.00 1.11 0.00 0.00 32.58 35.55 1xnt s HIS 150 CO 0.31 -0.40 2.12 -1.13 -0.85 0.00 0.00 174.74 174.79