#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xt5 s GLN 2 N 0.00 4.16 0.18 1.61 2.00 -1.26 -4.91 119.66 121.44 1xt5 s GLN 2 Ca 0.00 2.51 -0.31 0.00 -2.00 0.00 0.00 55.36 55.56 1xt5 s GLN 2 Cb 0.00 -3.59 -0.09 0.00 0.80 0.00 0.00 33.01 30.13 1xt5 s GLN 2 CO 0.00 -0.81 1.42 -1.12 -0.50 0.00 0.00 175.29 174.28 1xt5 s SER 3 N 2.61 6.75 -0.06 6.67 0.01 -1.26 -4.66 113.70 123.77 1xt5 s SER 3 Ca 0.79 2.49 -0.01 0.00 1.31 0.00 0.00 55.95 60.52 1xt5 s SER 3 Cb -0.44 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.22 1xt5 s SER 3 CO 0.35 -0.67 0.01 -0.63 0.41 0.00 0.00 173.24 172.71 1xt5 s ILE 4 N 0.60 0.26 0.06 1.44 1.01 -0.61 -4.46 121.20 119.50 1xt5 s ILE 4 Ca 0.62 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 61.21 1xt5 s ILE 4 Cb -0.39 -0.43 -0.06 0.00 0.01 0.00 0.00 42.46 41.59 1xt5 s ILE 4 CO 0.36 0.23 0.71 -0.32 0.00 0.00 0.00 174.94 175.91 1xt5 s MET 5 N 1.86 4.43 -0.06 2.79 -2.45 -0.34 -1.06 119.30 124.48 1xt5 s MET 5 Ca 0.03 0.97 -0.02 0.00 -1.25 0.00 0.00 55.69 55.42 1xt5 s MET 5 Cb -0.12 -3.32 0.03 0.00 1.25 0.00 0.00 34.83 32.66 1xt5 s MET 5 CO -0.04 0.41 0.03 0.99 1.05 0.00 0.00 175.02 177.46 1xt5 s THR 6 N -0.44 0.14 0.04 10.11 2.01 0.07 -4.61 115.64 122.95 1xt5 s THR 6 Ca 0.35 0.27 -0.11 0.00 0.31 0.00 0.00 61.69 62.51 1xt5 s THR 6 Cb -0.20 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 71.90 1xt5 s THR 6 CO 0.22 0.22 0.38 -0.69 -0.69 0.00 0.00 174.62 174.06 1xt5 s VAL 7 N 2.07 5.11 0.11 3.82 1.01 -1.26 -0.84 120.40 130.41 1xt5 s VAL 7 Ca 0.05 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.61 1xt5 s VAL 7 Cb -0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1xt5 s VAL 7 CO -0.04 0.39 -0.12 -0.13 0.00 0.00 0.00 175.10 175.20 1xt5 s ARG 8 N -1.62 0.93 -0.05 2.72 0.52 -0.19 -4.90 118.95 116.36 1xt5 s ARG 8 Ca 0.29 -1.18 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1xt5 s ARG 8 Cb -0.15 -0.73 0.03 0.00 0.52 0.00 0.00 34.95 34.62 1xt5 s ARG 8 CO 0.16 0.13 0.03 0.95 0.02 0.00 0.00 175.30 176.59 1xt5 s THR 9 N -2.21 0.09 0.35 0.02 -4.23 -1.26 -0.96 115.64 107.46 1xt5 s THR 9 Ca 0.07 0.28 0.18 0.00 -1.18 0.00 0.00 61.69 61.03 1xt5 s THR 9 Cb -0.04 -0.30 0.16 0.00 1.34 0.00 0.00 72.50 73.66 1xt5 s THR 9 CO 0.02 0.20 1.89 0.71 -0.54 0.00 0.00 174.62 176.90 1xt5 h THR 10 N 6.38 1.01 -3.39 3.99 1.35 -1.98 -3.43 112.91 116.84 1xt5 h THR 10 Ca -0.18 -1.06 -0.56 0.00 -0.55 0.00 0.00 66.41 64.06 1xt5 h THR 10 Cb 1.12 1.61 -0.33 0.00 -1.73 0.00 0.00 68.15 68.82 1xt5 h THR 10 CO 0.23 0.28 -0.83 -1.00 -0.25 0.00 0.00 175.52 173.95 1xt5 s HIS 11 N -4.13 1.76 -0.84 4.73 3.76 -1.26 -5.01 115.29 114.29 1xt5 s HIS 11 Ca -0.02 -0.68 0.25 0.00 -0.15 0.00 0.00 55.06 54.46 1xt5 s HIS 11 Cb 0.14 -1.25 0.54 0.00 1.11 0.00 0.00 32.58 33.12 1xt5 s HIS 11 CO 0.68 -0.32 1.45 0.25 -0.85 0.00 0.00 174.74 175.95 1xt5 n THR 12 N 3.75 0.17 -3.63 1.30 -2.24 -1.26 -4.71 114.28 107.66 1xt5 n THR 12 Ca -0.22 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.29 1xt5 n THR 12 Cb 0.52 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1xt5 n THR 12 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1xt5 s GLU 13 N -3.07 0.92 0.02 -0.78 -1.05 -1.26 -1.20 118.70 112.27 1xt5 s GLU 13 Ca 0.09 -0.12 -0.01 0.00 -0.15 0.00 0.00 54.97 54.79 1xt5 s GLU 13 Cb 0.16 0.42 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 1xt5 s GLU 13 CO 0.69 -0.30 -0.01 0.08 0.95 0.00 0.00 175.26 176.67 1xt5 s VAL 14 N -1.80 0.10 0.03 1.83 1.01 0.01 -4.91 120.40 116.67 1xt5 s VAL 14 Ca -0.09 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1xt5 s VAL 14 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1xt5 s VAL 14 CO 0.03 -0.45 -0.18 -0.70 0.00 0.00 0.00 175.10 173.81 1xt5 s GLU 15 N -1.33 1.25 0.07 2.72 2.12 -1.26 -0.97 118.70 121.30 1xt5 s GLU 15 Ca -0.15 -0.80 -0.14 0.00 0.36 0.00 0.00 54.97 54.24 1xt5 s GLU 15 Cb -0.09 -1.29 0.02 0.00 0.26 0.00 0.00 34.13 33.03 1xt5 s GLU 15 CO -0.01 0.33 0.33 0.54 -0.54 0.00 0.00 175.26 175.91 1xt5 s VAL 16 N -0.71 0.09 0.49 3.70 0.11 -0.54 -4.97 120.40 118.56 1xt5 s VAL 16 Ca 0.05 -0.70 -0.20 0.00 -2.93 0.00 0.00 61.98 58.20 1xt5 s VAL 16 Cb -0.08 -1.07 -0.08 0.00 -1.53 0.00 0.00 36.38 33.62 1xt5 s VAL 16 CO 0.01 -0.39 1.03 -1.38 -3.33 0.00 0.00 175.10 171.04 1xt5 s HIS 17 N -3.10 3.03 0.40 1.54 -3.43 -1.26 -1.06 115.29 111.42 1xt5 s HIS 17 Ca -0.01 1.57 -0.27 0.00 -0.80 0.00 0.00 55.06 55.56 1xt5 s HIS 17 Cb 0.01 -3.04 -0.09 0.00 -1.43 0.00 0.00 32.58 28.03 1xt5 s HIS 17 CO -0.07 -0.77 1.40 0.00 -2.00 0.00 0.00 174.74 173.30 1xt5 s ALA 18 N -2.04 3.38 0.00 -1.38 0.00 -1.26 -1.25 121.76 119.21 1xt5 s ALA 18 Ca 0.66 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1xt5 s ALA 18 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1xt5 s ALA 18 CO 0.20 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1xt5 n GLY 19 N 0.59 2.03 3.85 0.00 0.00 0.15 -4.90 105.19 106.91 1xt5 n GLY 19 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1xt5 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xt5 n GLY 20 N -2.00 -0.39 3.48 -0.02 0.00 -0.38 -4.04 105.19 101.84 1xt5 n GLY 20 Ca 0.00 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1xt5 n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xt5 s THR 21 N -3.47 3.37 0.06 2.61 2.01 -1.26 -1.25 115.64 117.71 1xt5 s THR 21 Ca 0.70 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1xt5 s THR 21 Cb -0.03 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1xt5 s THR 21 CO 0.48 0.56 -0.09 0.54 -0.69 0.00 0.00 174.62 175.42 1xt5 s VAL 22 N -0.23 0.71 -0.02 3.82 0.11 -0.40 -5.00 120.40 119.39 1xt5 s VAL 22 Ca 0.02 -1.35 0.08 0.00 -2.93 0.00 0.00 61.98 57.80 1xt5 s VAL 22 Cb -0.13 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1xt5 s VAL 22 CO 0.03 -0.47 -0.26 -1.61 -3.33 0.00 0.00 175.10 169.46 1xt5 s GLU 23 N -2.19 2.14 -0.39 1.54 2.02 -1.26 -0.95 118.70 119.61 1xt5 s GLU 23 Ca -0.03 -0.92 -0.01 0.00 0.02 0.00 0.00 54.97 54.04 1xt5 s GLU 23 Cb -0.06 -2.04 0.11 0.00 0.10 0.00 0.00 34.13 32.24 1xt5 s GLU 23 CO -0.00 0.54 0.16 -0.51 0.02 0.00 0.00 175.26 175.46 1xt5 s LEU 24 N -0.56 5.11 0.53 1.80 2.01 0.54 -4.97 118.68 123.14 1xt5 s LEU 24 Ca 0.08 -2.07 -0.21 0.00 0.01 0.00 0.00 54.13 51.94 1xt5 s LEU 24 Cb -0.10 -1.77 -0.05 0.00 0.01 0.00 0.00 46.19 44.27 1xt5 s LEU 24 CO -0.00 -0.49 1.26 -2.84 1.01 0.00 0.00 176.35 175.28 1xt5 s PRO 25 N 1.07 3.31 -0.21 1.29 0.02 -1.26 -1.74 135.00 137.48 1xt5 s PRO 25 Ca 0.09 2.00 -0.19 0.00 0.02 0.00 0.00 61.00 62.92 1xt5 s PRO 25 Cb -0.22 -2.24 0.05 0.00 0.02 0.00 0.00 34.50 32.12 1xt5 s PRO 25 CO -0.05 -0.98 0.55 0.00 -0.33 0.00 0.00 177.00 176.19 1xt5 s SER 27 N 0.31 1.30 0.14 0.00 1.04 -0.13 -2.63 113.70 113.73 1xt5 s SER 27 Ca -0.00 -1.20 -0.15 0.00 0.48 0.00 0.00 55.95 55.09 1xt5 s SER 27 Cb -0.04 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1xt5 s SER 27 CO 0.01 -0.57 0.39 -0.72 0.98 0.00 0.00 173.24 173.32 1xt5 s TYR 28 N -3.63 -0.06 -0.02 5.02 -0.85 -1.26 -1.03 117.35 115.52 1xt5 s TYR 28 Ca 0.26 -0.28 0.03 0.00 -0.52 0.00 0.00 57.07 56.55 1xt5 s TYR 28 Cb 0.06 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.61 1xt5 s TYR 28 CO 0.05 -0.73 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.61 1xt5 s GLN 29 N -3.85 0.96 -0.31 -3.49 -1.52 -0.02 -4.99 119.66 106.45 1xt5 s GLN 29 Ca 0.06 -0.32 0.03 0.00 -1.95 0.00 0.00 55.36 53.19 1xt5 s GLN 29 Cb 0.02 -0.90 0.09 0.00 -0.22 0.00 0.00 33.01 31.99 1xt5 s GLN 29 CO -0.08 0.13 0.00 -1.17 -0.25 0.00 0.00 175.29 173.92 1xt5 s LEU 30 N 0.13 4.18 0.16 2.90 2.96 -1.26 -0.75 118.68 126.99 1xt5 s LEU 30 Ca -0.02 -1.88 -0.30 0.00 -0.22 0.00 0.00 54.13 51.71 1xt5 s LEU 30 Cb -0.08 -1.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.99 1xt5 s LEU 30 CO 0.00 -0.32 1.06 0.00 -1.32 0.00 0.00 176.35 175.78 1xt5 s ALA 31 N 1.01 3.34 -1.50 5.97 0.00 -0.23 -4.07 121.76 126.29 1xt5 s ALA 31 Ca 0.05 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 1xt5 s ALA 31 Cb -0.19 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1xt5 s ALA 31 CO -0.08 -0.16 0.20 0.09 0.00 0.00 0.00 175.76 175.81 1xt5 n ASN 32 N 2.49 -5.42 -3.43 0.00 3.02 -1.26 -1.58 115.26 109.08 1xt5 n ASN 32 Ca 0.03 -0.10 -0.07 0.00 -0.03 0.00 0.00 54.58 54.40 1xt5 n ASN 32 Cb 0.47 -4.40 -0.08 0.00 -0.61 0.00 0.00 39.78 35.16 1xt5 n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xt5 s ASP 33 N -2.38 -0.12 0.00 6.41 2.15 -1.26 -4.42 116.67 117.04 1xt5 s ASP 33 Ca 0.10 0.57 0.26 0.00 0.43 0.00 0.00 52.55 53.91 1xt5 s ASP 33 Cb -0.04 1.33 0.69 0.00 -0.30 0.00 0.00 42.92 44.59 1xt5 s ASP 33 CO 0.12 -0.27 1.53 0.35 -0.17 0.00 0.00 175.17 176.73 1xt5 n THR 34 N 5.38 0.00 -2.29 1.71 -2.24 -1.26 -4.89 114.28 110.70 1xt5 n THR 34 Ca -0.05 -0.28 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 1xt5 n THR 34 Cb 0.50 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1xt5 n THR 34 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xt5 s GLN 35 N -2.16 4.32 0.30 -0.78 -0.21 -1.26 -4.98 119.66 114.89 1xt5 s GLN 35 Ca 0.31 1.96 -0.29 0.00 0.02 0.00 0.00 55.36 57.35 1xt5 s GLN 35 Cb 0.20 -2.95 -0.10 0.00 1.00 0.00 0.00 33.01 31.15 1xt5 s GLN 35 CO 0.39 -0.12 1.44 -1.25 -2.12 0.00 0.00 175.29 173.63 1xt5 s PRO 36 N -1.89 4.23 0.03 2.91 0.04 -1.26 -5.01 135.00 134.06 1xt5 s PRO 36 Ca 0.51 2.38 -0.00 0.00 0.04 0.00 0.00 61.00 63.92 1xt5 s PRO 36 Cb -0.34 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.15 1xt5 s PRO 36 CO 0.44 -0.42 0.04 -0.35 0.04 0.00 0.00 177.00 176.76 1xt5 n PRO 37 N 1.52 0.19 -4.75 0.56 -0.04 -1.26 -4.52 135.00 126.70 1xt5 n PRO 37 Ca 0.04 -0.08 -0.26 0.00 -0.04 0.00 0.00 63.50 63.15 1xt5 n PRO 37 Cb 0.40 -0.04 -0.17 0.00 -0.04 0.00 0.00 33.50 33.65 1xt5 n PRO 37 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xt5 s VAL 38 N -0.66 1.37 -0.18 0.52 0.11 0.46 -4.39 120.40 117.63 1xt5 s VAL 38 Ca 0.03 -0.62 -0.08 0.00 -2.93 0.00 0.00 61.98 58.38 1xt5 s VAL 38 Cb -0.00 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1xt5 s VAL 38 CO 0.02 0.41 0.09 -0.63 -3.33 0.00 0.00 175.10 171.66 1xt5 s ILE 39 N 0.54 5.07 -0.05 7.04 1.09 0.26 -1.48 121.20 133.68 1xt5 s ILE 39 Ca -0.15 0.07 0.03 0.00 -1.10 0.00 0.00 60.65 59.49 1xt5 s ILE 39 Cb -0.16 -3.28 0.01 0.00 -1.06 0.00 0.00 42.46 37.96 1xt5 s ILE 39 CO 0.05 0.48 -0.12 -0.44 -0.10 0.00 0.00 174.94 174.80 1xt5 s SER 40 N 0.15 1.66 -0.18 3.58 0.01 -0.04 -1.00 113.70 117.88 1xt5 s SER 40 Ca 0.07 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.00 1xt5 s SER 40 Cb -0.12 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 1xt5 s SER 40 CO -0.00 0.07 0.01 0.26 0.41 0.00 0.00 173.24 173.99 1xt5 s TRP 41 N 0.35 3.09 -0.07 2.43 0.52 0.00 -0.86 118.94 124.40 1xt5 s TRP 41 Ca -0.08 -0.28 0.01 0.00 0.02 0.00 0.00 56.10 55.77 1xt5 s TRP 41 Cb -0.12 -2.05 0.02 0.00 -1.15 0.00 0.00 33.47 30.17 1xt5 s TRP 41 CO 0.02 -0.09 -0.07 -0.51 0.02 0.00 0.00 176.95 176.32 1xt5 s LEU 42 N 0.68 1.33 -0.25 2.99 1.43 -0.58 -0.86 118.68 123.42 1xt5 s LEU 42 Ca 0.00 -0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1xt5 s LEU 42 Cb -0.14 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1xt5 s LEU 42 CO 0.02 -0.05 0.12 -0.75 0.23 0.00 0.00 176.35 175.92 1xt5 s LYS 43 N 1.11 3.85 0.00 1.70 2.20 0.12 -0.21 119.74 128.51 1xt5 s LYS 43 Ca -0.07 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1xt5 s LYS 43 Cb -0.14 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1xt5 s LYS 43 CO -0.01 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1xt5 n GLY 44 N 4.74 -1.97 0.32 5.54 0.00 -0.11 -0.90 105.19 112.82 1xt5 n GLY 44 Ca -0.15 -1.25 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 1xt5 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xt5 h ALA 45 N 0.00 1.38 -2.68 4.61 0.00 -1.76 -3.42 119.26 117.39 1xt5 h ALA 45 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1xt5 h ALA 45 Cb 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 17.79 17.43 1xt5 h ALA 45 CO 0.00 0.49 -0.28 -1.54 0.00 0.00 0.00 179.25 177.92 1xt5 s SER 46 N -6.52 0.01 0.32 0.00 1.04 -1.21 -5.01 113.70 102.33 1xt5 s SER 46 Ca -0.10 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 55.49 1xt5 s SER 46 Cb 0.17 0.46 0.64 0.00 0.10 0.00 0.00 66.02 67.39 1xt5 s SER 46 CO 0.78 -0.94 1.88 -0.65 0.98 0.00 0.00 173.24 175.29 1xt5 h PRO 47 N 2.48 0.87 0.00 4.02 0.11 -1.92 -1.97 132.00 135.60 1xt5 h PRO 47 Ca -0.31 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 1xt5 h PRO 47 Cb 1.23 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1xt5 h PRO 47 CO 0.46 0.58 -1.02 -0.44 -0.21 0.00 0.00 178.00 177.37 1xt5 h ASP 48 N 0.90 0.00 -3.02 -2.05 3.32 -1.98 -3.38 116.42 110.21 1xt5 h ASP 48 Ca 0.44 0.00 -0.80 0.00 0.02 0.00 0.00 57.03 56.69 1xt5 h ASP 48 Cb 0.45 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.72 1xt5 h ASP 48 CO -0.20 0.65 0.67 0.54 -1.72 0.00 0.00 179.24 179.18 1xt5 n ARG 49 N -3.11 4.23 -3.97 3.56 1.74 -0.74 -4.93 116.66 113.45 1xt5 n ARG 49 Ca -0.04 -4.54 -0.09 0.00 -0.77 0.00 0.00 57.85 52.40 1xt5 n ARG 49 Cb 0.83 -2.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.72 1xt5 n ARG 49 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1xt5 s SER 50 N -1.22 -0.04 0.09 0.55 1.04 -1.24 -2.37 113.70 110.50 1xt5 s SER 50 Ca 0.31 -0.92 0.10 0.00 0.48 0.00 0.00 55.95 55.91 1xt5 s SER 50 Cb 0.02 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1xt5 s SER 50 CO 0.07 -1.23 -0.24 0.28 0.98 0.00 0.00 173.24 173.10 1xt5 s THR 51 N -3.82 2.41 0.20 2.02 -1.32 -0.08 -4.91 115.64 110.14 1xt5 s THR 51 Ca 0.20 -1.52 -0.30 0.00 -1.21 0.00 0.00 61.69 58.86 1xt5 s THR 51 Cb -0.02 -2.03 -0.09 0.00 -1.51 0.00 0.00 72.50 68.85 1xt5 s THR 51 CO 0.10 0.21 1.26 -0.54 -2.21 0.00 0.00 174.62 173.44 1xt5 s LYS 52 N -1.75 4.43 -0.20 7.08 1.02 -1.26 -0.70 119.74 128.37 1xt5 s LYS 52 Ca 0.14 1.99 -0.12 0.00 0.02 0.00 0.00 55.97 58.00 1xt5 s LYS 52 Cb -0.10 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 33.92 1xt5 s LYS 52 CO 0.05 -0.18 -0.28 0.28 -0.92 0.00 0.00 175.35 174.30 1xt5 n VAL 53 N 2.49 1.27 -3.76 3.17 0.31 -0.03 -4.49 118.33 117.29 1xt5 n VAL 53 Ca 0.05 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.07 1xt5 n VAL 53 Cb 0.43 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 1xt5 n VAL 53 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1xt5 s PHE 54 N -2.48 -0.24 -0.01 3.52 5.36 -1.04 -1.63 117.98 121.45 1xt5 s PHE 54 Ca -0.29 0.47 -0.02 0.00 -0.96 0.00 0.00 56.93 56.13 1xt5 s PHE 54 Cb 0.10 0.11 -0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1xt5 s PHE 54 CO 0.37 -0.33 0.04 0.21 -1.46 0.00 0.00 175.22 174.06 1xt5 s LYS 55 N -0.88 0.20 0.09 10.12 2.20 -0.25 -0.81 119.74 130.41 1xt5 s LYS 55 Ca -0.10 -0.19 -0.26 0.00 -0.36 0.00 0.00 55.97 55.06 1xt5 s LYS 55 Cb -0.04 0.08 0.08 0.00 -1.51 0.00 0.00 37.83 36.44 1xt5 s LYS 55 CO 0.03 -0.04 0.83 0.20 -0.36 0.00 0.00 175.35 176.02 1xt5 s GLY 56 N -0.62 -0.41 -0.12 5.54 0.00 -0.17 -0.92 107.32 110.62 1xt5 s GLY 56 Ca -0.07 0.58 -0.29 0.00 0.00 0.00 0.00 44.72 44.95 1xt5 s GLY 56 CO -0.00 0.18 0.68 0.54 0.00 0.00 0.00 173.10 174.51 1xt5 s ASN 57 N -2.68 -0.68 0.55 1.64 4.22 -0.06 -0.57 114.94 117.35 1xt5 s ASN 57 Ca 0.06 0.95 -0.21 0.00 -2.14 0.00 0.00 52.86 51.52 1xt5 s ASN 57 Cb -0.01 0.84 -0.05 0.00 1.28 0.00 0.00 41.25 43.31 1xt5 s ASN 57 CO -0.06 -0.48 1.27 -0.31 -2.04 0.00 0.00 177.10 175.47 1xt5 s TYR 58 N -0.67 2.44 0.38 1.54 1.51 -1.26 -0.91 117.35 120.38 1xt5 s TYR 58 Ca -0.07 1.46 -0.12 0.00 -1.01 0.00 0.00 57.07 57.33 1xt5 s TYR 58 Cb -0.02 -3.61 -0.07 0.00 -0.11 0.00 0.00 41.96 38.16 1xt5 s TYR 58 CO 0.07 -2.38 0.76 -0.80 -1.11 0.00 0.00 175.55 172.08 1xt5 s ASN 59 N -1.26 6.60 0.26 2.29 0.01 -0.53 -4.83 114.94 117.47 1xt5 s ASN 59 Ca 0.72 1.17 -0.30 0.00 -0.71 0.00 0.00 52.86 53.75 1xt5 s ASN 59 Cb -0.35 -2.34 -0.09 0.00 0.41 0.00 0.00 41.25 38.88 1xt5 s ASN 59 CO 0.40 -0.34 1.29 0.86 -1.51 0.00 0.00 177.10 177.80 1xt5 s TRP 60 N -2.25 3.21 -0.12 2.20 -0.00 -1.26 -4.80 118.94 115.92 1xt5 s TRP 60 Ca 0.52 1.33 0.03 0.00 -0.00 0.00 0.00 56.10 57.98 1xt5 s TRP 60 Cb -0.10 -3.60 -0.09 0.00 -0.00 0.00 0.00 33.47 29.68 1xt5 s TRP 60 CO 0.27 -1.75 -0.08 0.94 -0.00 0.00 0.00 176.95 176.33 1xt5 n GLN 61 N 1.81 0.80 0.00 5.86 -0.06 -1.26 -5.14 117.38 119.39 1xt5 n GLN 61 Ca 0.03 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 1xt5 n GLN 61 Cb 0.42 -1.25 0.00 0.00 -4.06 0.00 0.00 30.24 25.36 1xt5 n GLN 61 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xt5 n GLY 62 N 2.80 3.24 2.42 1.69 0.00 -1.26 -4.78 105.19 109.30 1xt5 n GLY 62 Ca -0.20 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1xt5 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xt5 n GLU 63 N -1.58 0.00 0.00 1.61 1.02 -1.26 -2.11 120.64 118.32 1xt5 n GLU 63 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xt5 n GLU 63 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1xt5 n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xt5 n GLY 64 N 2.66 0.39 2.81 0.62 0.00 -1.26 -5.10 105.19 105.31 1xt5 n GLY 64 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1xt5 n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xt5 n LEU 65 N 0.00 3.87 0.00 0.99 0.00 -0.90 -5.08 117.00 115.88 1xt5 n LEU 65 Ca 0.00 -5.27 0.00 0.00 0.00 0.00 0.00 56.01 50.74 1xt5 n LEU 65 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 43.42 42.56 1xt5 n LEU 65 CO 0.00 1.80 0.00 0.61 0.00 0.00 0.00 177.39 179.80 1xt5 n GLY 66 N 1.63 0.00 3.78 -3.96 0.00 -1.26 -4.55 105.19 100.83 1xt5 n GLY 66 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1xt5 n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xt5 s PHE 67 N 0.00 3.06 -0.13 1.61 0.08 -1.26 -4.88 117.98 116.46 1xt5 s PHE 67 Ca 0.00 1.59 -0.01 0.00 0.12 0.00 0.00 56.93 58.64 1xt5 s PHE 67 Cb 0.00 -3.18 0.03 0.00 -0.57 0.00 0.00 43.02 39.30 1xt5 s PHE 67 CO 0.00 -0.95 -0.06 0.08 -0.10 0.00 0.00 175.22 174.19 1xt5 s VAL 68 N -1.74 1.02 0.37 -0.44 1.01 -1.26 -5.03 120.40 114.33 1xt5 s VAL 68 Ca 0.63 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1xt5 s VAL 68 Cb -0.22 -1.10 0.29 0.00 0.00 0.00 0.00 36.38 35.35 1xt5 s VAL 68 CO 0.27 0.28 1.98 -0.08 0.00 0.00 0.00 175.10 177.55 1xt5 h GLU 69 N 8.17 0.69 0.00 2.72 4.57 -1.97 -0.85 114.58 127.91 1xt5 h GLU 69 Ca -0.27 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1xt5 h GLU 69 Cb 1.12 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1xt5 h GLU 69 CO 0.40 0.46 0.00 -1.13 -1.18 0.00 0.00 179.01 177.56 1xt5 n SER 70 N -4.47 0.65 -3.83 1.04 3.41 -1.26 -3.92 113.62 105.23 1xt5 n SER 70 Ca 0.09 0.65 -0.31 0.00 -0.26 0.00 0.00 58.87 59.04 1xt5 n SER 70 Cb 0.19 -0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 63.26 1xt5 n SER 70 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xt5 n ASP 71 N -2.20 3.83 -3.67 4.04 2.03 -0.32 -5.02 116.55 115.24 1xt5 n ASP 71 Ca 0.03 -3.27 -0.11 0.00 0.52 0.00 0.00 54.79 51.95 1xt5 n ASP 71 Cb 0.25 -0.86 -0.05 0.00 -0.72 0.00 0.00 41.12 39.74 1xt5 n ASP 71 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xt5 s SER 72 N -1.41 -0.20 -0.16 1.67 1.04 -1.25 -1.45 113.70 111.94 1xt5 s SER 72 Ca 0.30 -0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.28 1xt5 s SER 72 Cb 0.01 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1xt5 s SER 72 CO -0.09 -0.80 0.39 -0.47 0.98 0.00 0.00 173.24 173.26 1xt5 s TYR 73 N -3.53 3.45 -0.06 5.02 5.04 -0.08 -4.90 117.35 122.29 1xt5 s TYR 73 Ca 0.01 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 1xt5 s TYR 73 Cb 0.02 -2.48 0.04 0.00 0.35 0.00 0.00 41.96 39.89 1xt5 s TYR 73 CO -0.10 0.14 0.13 0.15 -1.34 0.00 0.00 175.55 174.52 1xt5 s LYS 74 N 0.79 0.07 -0.11 4.97 1.02 -1.26 -0.88 119.74 124.34 1xt5 s LYS 74 Ca 0.21 0.35 -0.09 0.00 0.02 0.00 0.00 55.97 56.45 1xt5 s LYS 74 Cb -0.14 -0.19 0.03 0.00 -0.52 0.00 0.00 37.83 37.01 1xt5 s LYS 74 CO 0.07 -0.17 0.28 -2.00 -0.92 0.00 0.00 175.35 172.62 1xt5 s GLU 75 N 1.18 0.32 0.16 1.68 2.12 -0.10 -5.00 118.70 119.05 1xt5 s GLU 75 Ca -0.09 0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.72 1xt5 s GLU 75 Cb -0.12 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1xt5 s GLU 75 CO -0.06 -0.06 0.06 -1.54 -0.54 0.00 0.00 175.26 173.12 1xt5 s SER 76 N 0.34 5.12 0.09 -1.70 1.04 -1.26 -1.09 113.70 116.25 1xt5 s SER 76 Ca -0.02 -0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.22 1xt5 s SER 76 Cb -0.03 -1.22 -0.03 0.00 0.10 0.00 0.00 66.02 64.83 1xt5 s SER 76 CO -0.01 0.10 -0.15 -0.36 0.98 0.00 0.00 173.24 173.79 1xt5 s PHE 77 N -1.67 1.37 0.00 5.02 0.40 -0.65 -4.54 117.98 117.92 1xt5 s PHE 77 Ca 0.29 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1xt5 s PHE 77 Cb -0.10 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.68 1xt5 s PHE 77 CO 0.21 0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.65 1xt5 n GLY 78 N 1.02 3.22 0.02 4.36 0.00 -1.26 -0.85 105.19 111.69 1xt5 n GLY 78 Ca -0.19 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.61 1xt5 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xt5 n ASP 79 N 2.39 0.07 -0.35 1.61 8.00 -1.26 -2.08 116.55 124.93 1xt5 n ASP 79 Ca 0.00 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.14 1xt5 n ASP 79 Cb 0.00 -0.53 0.12 0.00 -0.02 0.00 0.00 41.12 40.68 1xt5 n ASP 79 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xt5 n PHE 80 N -1.58 0.00 -1.72 1.24 3.01 -0.03 -4.91 117.46 113.47 1xt5 n PHE 80 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 1xt5 n PHE 80 Cb 0.11 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1xt5 n PHE 80 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1xt5 n LEU 81 N -0.41 4.01 0.00 4.37 0.00 -0.88 -1.12 117.00 122.97 1xt5 n LEU 81 Ca 0.10 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.19 1xt5 n LEU 81 Cb 0.41 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 42.26 1xt5 n LEU 81 CO 0.29 0.14 0.00 0.61 0.00 0.00 0.00 177.39 178.43 1xt5 n GLY 82 N 3.53 1.52 0.00 -3.96 0.00 -1.26 -4.82 105.19 100.20 1xt5 n GLY 82 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1xt5 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xt5 n ARG 83 N -2.00 0.42 -4.43 1.61 1.74 -0.27 -4.97 116.66 108.76 1xt5 n ARG 83 Ca 0.00 -0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.70 1xt5 n ARG 83 Cb 0.00 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.25 1xt5 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xt5 s ALA 84 N -2.26 3.11 0.06 7.54 0.00 -0.93 -0.93 121.76 128.36 1xt5 s ALA 84 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 1xt5 s ALA 84 Cb 0.03 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1xt5 s ALA 84 CO 0.19 0.43 0.24 -1.54 0.00 0.00 0.00 175.76 175.07 1xt5 s SER 85 N -0.35 -0.00 -0.22 0.00 1.04 -0.23 -4.66 113.70 109.27 1xt5 s SER 85 Ca 0.06 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1xt5 s SER 85 Cb -0.12 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.40 1xt5 s SER 85 CO 0.02 -0.65 -0.01 -0.69 0.98 0.00 0.00 173.24 172.89 1xt5 s VAL 86 N -3.08 1.11 0.28 5.02 1.01 -1.26 -0.87 120.40 122.61 1xt5 s VAL 86 Ca -0.01 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1xt5 s VAL 86 Cb 0.01 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1xt5 s VAL 86 CO -0.07 -0.18 1.65 0.00 0.00 0.00 0.00 175.10 176.50 1xt5 h ALA 87 N 8.07 1.03 -3.00 5.51 0.00 -1.91 -3.41 119.26 125.55 1xt5 h ALA 87 Ca -0.17 -0.46 -0.51 0.00 0.00 0.00 0.00 54.91 53.76 1xt5 h ALA 87 Cb 1.09 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.39 1xt5 h ALA 87 CO 0.39 0.64 -0.77 1.21 0.00 0.00 0.00 179.25 180.73 1xt5 s ASN 88 N -6.88 3.15 0.55 0.00 3.84 -1.26 -5.01 114.94 109.33 1xt5 s ASN 88 Ca -0.04 -1.06 0.32 0.00 0.21 0.00 0.00 52.86 52.29 1xt5 s ASN 88 Cb 0.13 -0.43 1.58 0.00 -0.55 0.00 0.00 41.25 41.98 1xt5 s ASN 88 CO 0.78 -0.39 2.09 -0.07 -2.79 0.00 0.00 177.10 176.72 1xt5 h LEU 89 N 8.34 0.00 -0.12 3.21 3.38 -1.97 -0.99 115.31 127.17 1xt5 h LEU 89 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1xt5 h LEU 89 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xt5 h LEU 89 CO 0.38 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1xt5 n ALA 90 N -2.19 2.07 -3.05 1.53 0.00 -1.26 -4.04 120.51 113.58 1xt5 n ALA 90 Ca -0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 1xt5 n ALA 90 Cb 0.24 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1xt5 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xt5 n ALA 91 N -1.63 1.17 -0.96 0.00 0.00 -0.40 -4.54 120.51 114.15 1xt5 n ALA 91 Ca 0.05 -2.75 -0.12 0.00 0.00 0.00 0.00 53.44 50.62 1xt5 n ALA 91 Cb 0.31 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 1xt5 n ALA 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xt5 n PRO 92 N 1.38 1.85 -1.62 0.00 -0.04 -1.05 -4.50 135.00 131.02 1xt5 n PRO 92 Ca 0.17 -1.02 -0.48 0.00 -0.04 0.00 0.00 63.50 62.14 1xt5 n PRO 92 Cb 0.57 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 1xt5 n PRO 92 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1xt5 n THR 93 N 1.98 0.55 -3.39 0.52 -1.04 -1.20 -4.57 114.28 107.13 1xt5 n THR 93 Ca 0.35 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.05 61.84 1xt5 n THR 93 Cb 0.77 -1.13 -0.06 0.00 -1.82 0.00 0.00 70.33 68.09 1xt5 n THR 93 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1xt5 s LEU 94 N 0.51 4.36 -0.17 -4.42 2.96 -0.71 -4.23 118.68 116.99 1xt5 s LEU 94 Ca 0.75 0.87 -0.04 0.00 -0.22 0.00 0.00 54.13 55.50 1xt5 s LEU 94 Cb -0.79 -2.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 1xt5 s LEU 94 CO 0.48 0.14 -0.04 -0.60 -1.32 0.00 0.00 176.35 175.00 1xt5 s ARG 95 N -0.08 3.62 -0.14 1.98 3.52 -0.05 -0.34 118.95 127.46 1xt5 s ARG 95 Ca 0.25 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1xt5 s ARG 95 Cb -0.16 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.32 1xt5 s ARG 95 CO 0.11 0.17 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.08 1xt5 s LEU 96 N 0.55 1.94 0.36 -0.88 1.43 -0.13 -1.07 118.68 120.88 1xt5 s LEU 96 Ca -0.03 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1xt5 s LEU 96 Cb -0.14 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1xt5 s LEU 96 CO 0.03 0.02 0.44 0.42 0.23 0.00 0.00 176.35 177.48 1xt5 s THR 97 N 1.12 3.60 -1.38 5.49 -4.23 -0.10 -1.27 115.64 118.87 1xt5 s THR 97 Ca -0.01 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1xt5 s THR 97 Cb -0.14 -3.24 -0.00 0.00 1.34 0.00 0.00 72.50 70.46 1xt5 s THR 97 CO -0.06 -0.12 0.48 1.41 -0.54 0.00 0.00 174.62 175.79 1xt5 n HIS 98 N -1.61 -1.70 -1.71 3.99 8.25 -0.93 -4.78 115.22 116.73 1xt5 n HIS 98 Ca 0.01 0.74 -0.42 0.00 -0.26 0.00 0.00 57.72 57.79 1xt5 n HIS 98 Cb 0.59 -3.82 -0.03 0.00 1.12 0.00 0.00 29.99 27.85 1xt5 n HIS 98 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xt5 n VAL 99 N -4.37 0.07 -3.32 1.59 0.31 -0.38 -4.60 118.33 107.62 1xt5 n VAL 99 Ca -0.30 -0.01 -0.28 0.00 -0.01 0.00 0.00 64.34 63.74 1xt5 n VAL 99 Cb 0.68 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 1xt5 n VAL 99 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1xt5 s HIS 100 N 1.46 3.49 0.27 3.52 3.76 -1.26 0.29 115.29 126.82 1xt5 s HIS 100 Ca 0.76 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.26 1xt5 s HIS 100 Cb -0.50 -2.06 0.63 0.00 1.11 0.00 0.00 32.58 31.76 1xt5 s HIS 100 CO 0.33 0.15 1.68 -1.35 -0.85 0.00 0.00 174.74 174.70 1xt5 h PRO 101 N 1.45 0.29 -0.14 8.40 0.11 -1.97 -0.41 132.00 139.73 1xt5 h PRO 101 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xt5 h PRO 101 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xt5 h PRO 101 CO 0.65 0.19 0.00 1.04 -0.21 0.00 0.00 178.00 179.67 1xt5 n GLN 102 N -5.14 1.44 0.10 1.05 1.13 -1.26 -2.86 117.38 111.85 1xt5 n GLN 102 Ca 0.19 -0.67 0.12 0.00 -1.94 0.00 0.00 57.00 54.70 1xt5 n GLN 102 Cb 0.60 -1.27 0.46 0.00 0.11 0.00 0.00 30.24 30.13 1xt5 n GLN 102 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xt5 n ASP 103 N -0.05 0.58 -4.73 1.08 8.00 -0.16 -4.80 116.55 116.47 1xt5 n ASP 103 Ca 0.12 0.61 -0.38 0.00 0.71 0.00 0.00 54.79 55.85 1xt5 n ASP 103 Cb 0.20 -0.75 0.05 0.00 -0.02 0.00 0.00 41.12 40.60 1xt5 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xt5 n GLY 104 N 0.40 0.60 0.00 0.44 0.00 -1.13 -4.83 105.19 100.67 1xt5 n GLY 104 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xt5 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xt5 n GLY 105 N 0.86 0.13 3.10 -0.02 0.00 -0.52 -4.98 105.19 103.76 1xt5 n GLY 105 Ca 0.12 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1xt5 n GLY 105 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xt5 s ARG 106 N -2.00 2.68 -0.21 1.61 3.52 -1.26 -0.50 118.95 122.79 1xt5 s ARG 106 Ca 0.00 -0.72 -0.02 0.00 -0.13 0.00 0.00 55.73 54.86 1xt5 s ARG 106 Cb 0.00 -2.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1xt5 s ARG 106 CO 0.00 -0.13 -0.10 0.71 -0.81 0.00 0.00 175.30 174.97 1xt5 s TYR 107 N 1.15 2.90 -0.20 5.12 1.51 -0.35 -0.93 117.35 126.55 1xt5 s TYR 107 Ca -0.01 -1.21 -0.15 0.00 -1.01 0.00 0.00 57.07 54.70 1xt5 s TYR 107 Cb -0.14 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 1xt5 s TYR 107 CO -0.07 -0.64 0.35 -1.58 -1.11 0.00 0.00 175.55 172.49 1xt5 s TRP 108 N 1.41 3.37 -0.44 2.71 0.52 0.71 -0.45 118.94 126.78 1xt5 s TRP 108 Ca 0.05 0.55 -0.20 0.00 0.02 0.00 0.00 56.10 56.52 1xt5 s TRP 108 Cb -0.14 -2.46 0.02 0.00 -1.15 0.00 0.00 33.47 29.74 1xt5 s TRP 108 CO -0.07 0.03 0.58 0.00 0.02 0.00 0.00 176.95 177.52 1xt5 s GLN 110 N 2.62 3.30 -0.06 0.00 0.74 -0.04 -1.95 119.66 124.27 1xt5 s GLN 110 Ca 0.19 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.95 1xt5 s GLN 110 Cb -0.15 -2.62 0.01 0.00 1.10 0.00 0.00 33.01 31.35 1xt5 s GLN 110 CO 0.17 0.27 -0.12 0.08 -0.55 0.00 0.00 175.29 175.14 1xt5 s VAL 111 N 0.22 1.13 0.00 1.34 1.01 -0.56 -0.86 120.40 122.67 1xt5 s VAL 111 Ca -0.08 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1xt5 s VAL 111 Cb -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1xt5 s VAL 111 CO 0.05 0.35 0.12 0.00 0.00 0.00 0.00 175.10 175.62 1xt5 s ALA 112 N 0.61 -0.29 0.59 5.51 0.00 -0.55 -1.63 121.76 126.00 1xt5 s ALA 112 Ca -0.13 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 1xt5 s ALA 112 Cb -0.15 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 1xt5 s ALA 112 CO 0.03 -0.20 0.88 1.04 0.00 0.00 0.00 175.76 177.52 1xt5 n GLN 113 N 1.56 0.82 -0.37 0.00 6.02 0.06 -0.40 117.38 125.07 1xt5 n GLN 113 Ca -0.22 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1xt5 n GLN 113 Cb 0.56 -2.08 0.14 0.00 1.02 0.00 0.00 30.24 29.88 1xt5 n GLN 113 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1xt5 h TRP 114 N 0.44 1.24 -3.60 1.08 4.06 -1.89 -3.34 115.95 113.93 1xt5 h TRP 114 Ca -0.48 0.03 -0.67 0.00 2.06 0.00 0.00 58.89 59.83 1xt5 h TRP 114 Cb 1.37 -0.41 -0.35 0.00 -1.00 0.00 0.00 29.16 28.77 1xt5 h TRP 114 CO 0.36 0.71 -0.78 0.45 -3.56 0.00 0.00 178.44 175.62 1xt5 s SER 115 N -6.02 4.21 -1.11 -3.49 0.15 -1.26 -5.06 113.70 101.12 1xt5 s SER 115 Ca -0.13 -1.09 -0.20 0.00 0.70 0.00 0.00 55.95 55.23 1xt5 s SER 115 Cb 0.19 -1.59 0.08 0.00 -1.71 0.00 0.00 66.02 62.99 1xt5 s SER 115 CO 0.82 -0.14 1.49 -0.63 1.20 0.00 0.00 173.24 175.97 1xt5 s ILE 116 N 1.22 4.20 0.33 6.45 1.01 -1.26 -4.79 121.20 128.36 1xt5 s ILE 116 Ca -0.03 -1.40 0.08 0.00 0.00 0.00 0.00 60.65 59.29 1xt5 s ILE 116 Cb -0.18 -5.05 0.09 0.00 0.01 0.00 0.00 42.46 37.33 1xt5 s ILE 116 CO -0.06 -1.88 1.79 0.03 0.00 0.00 0.00 174.94 174.83 1xt5 h ARG 117 N 8.75 0.26 -4.30 2.79 3.08 -1.93 -3.45 114.38 119.57 1xt5 h ARG 117 Ca 0.28 -0.09 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 1xt5 h ARG 117 Cb 0.96 -0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.85 1xt5 h ARG 117 CO 1.38 0.52 -0.49 0.95 -1.07 0.00 0.00 179.97 181.26 1xt5 s THR 118 N -4.41 0.02 -0.02 2.04 -4.23 -1.26 -5.03 115.64 102.75 1xt5 s THR 118 Ca -0.05 -1.80 0.30 0.00 -1.18 0.00 0.00 61.69 58.96 1xt5 s THR 118 Cb 0.14 -2.29 0.32 0.00 1.34 0.00 0.00 72.50 72.01 1xt5 s THR 118 CO 0.76 -0.11 1.91 -0.33 -0.54 0.00 0.00 174.62 176.30 1xt5 h GLU 119 N 2.58 0.00 0.00 3.99 5.08 -1.97 -1.80 114.58 122.46 1xt5 h GLU 119 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1xt5 h GLU 119 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1xt5 h GLU 119 CO 0.50 0.00 0.00 0.74 -1.00 0.00 0.00 179.01 179.25 1xt5 h PHE 120 N 0.00 0.00 -0.13 4.33 -1.00 -1.96 -3.31 116.94 114.87 1xt5 h PHE 120 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xt5 h PHE 120 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1xt5 h PHE 120 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1xt5 n GLY 121 N -0.19 0.07 3.06 -1.45 0.00 -0.68 -1.20 105.19 104.81 1xt5 n GLY 121 Ca 0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 1xt5 n GLY 121 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xt5 s LEU 122 N -1.62 2.15 0.12 0.99 0.20 -1.25 -0.76 118.68 118.51 1xt5 s LEU 122 Ca 0.32 -0.38 -0.06 0.00 0.69 0.00 0.00 54.13 54.71 1xt5 s LEU 122 Cb 0.17 -0.37 -0.02 0.00 -0.43 0.00 0.00 46.19 45.54 1xt5 s LEU 122 CO 0.26 -0.03 0.15 -0.62 -0.29 0.00 0.00 176.35 175.83 1xt5 s ASP 123 N -0.97 0.20 -0.14 3.68 2.15 -0.65 -4.80 116.67 116.14 1xt5 s ASP 123 Ca -0.02 -0.91 -0.24 0.00 0.43 0.00 0.00 52.55 51.81 1xt5 s ASP 123 Cb -0.07 0.34 0.06 0.00 -0.30 0.00 0.00 42.92 42.95 1xt5 s ASP 123 CO 0.01 -0.76 0.61 0.00 -0.17 0.00 0.00 175.17 174.85 1xt5 s ALA 124 N -3.95 -1.53 0.05 3.66 0.00 -1.26 -1.50 121.76 117.23 1xt5 s ALA 124 Ca 0.14 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1xt5 s ALA 124 Cb 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1xt5 s ALA 124 CO -0.04 -0.32 -0.05 0.15 0.00 0.00 0.00 175.76 175.50 1xt5 s LYS 125 N -0.42 0.57 0.10 0.00 1.02 -0.82 -4.98 119.74 115.20 1xt5 s LYS 125 Ca -0.06 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.00 1xt5 s LYS 125 Cb -0.03 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 1xt5 s LYS 125 CO 0.05 -0.04 -0.04 -1.54 -0.92 0.00 0.00 175.35 172.85 1xt5 s SER 126 N -2.30 4.75 -0.12 2.83 1.04 -1.26 -0.64 113.70 117.99 1xt5 s SER 126 Ca -0.01 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1xt5 s SER 126 Cb -0.01 -1.03 0.02 0.00 0.10 0.00 0.00 66.02 65.10 1xt5 s SER 126 CO -0.04 0.17 -0.13 -0.69 0.98 0.00 0.00 173.24 173.52 1xt5 s VAL 127 N -1.31 1.42 0.18 5.02 1.01 0.41 -4.74 120.40 122.39 1xt5 s VAL 127 Ca 0.24 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1xt5 s VAL 127 Cb -0.11 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1xt5 s VAL 127 CO 0.17 0.43 0.97 -0.69 0.00 0.00 0.00 175.10 175.97 1xt5 s VAL 128 N 1.28 4.22 -0.27 2.92 1.01 -0.34 -1.21 120.40 128.02 1xt5 s VAL 128 Ca -0.01 2.03 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 1xt5 s VAL 128 Cb -0.14 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1xt5 s VAL 128 CO -0.06 0.40 0.06 -0.22 0.00 0.00 0.00 175.10 175.28 1xt5 s LEU 129 N -0.62 3.56 -0.20 3.92 2.96 0.34 -0.81 118.68 127.84 1xt5 s LEU 129 Ca 0.44 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.79 1xt5 s LEU 129 Cb -0.25 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1xt5 s LEU 129 CO 0.32 -0.10 0.24 -0.54 -1.32 0.00 0.00 176.35 174.95 1xt5 s LYS 130 N 1.55 4.17 -0.35 1.98 1.02 -0.14 -1.43 119.74 126.54 1xt5 s LYS 130 Ca 0.05 -0.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.87 1xt5 s LYS 130 Cb -0.16 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.68 1xt5 s LYS 130 CO 0.02 0.14 0.21 0.08 -0.92 0.00 0.00 175.35 174.89 1xt5 s VAL 131 N 0.80 4.85 0.17 3.17 1.01 -1.26 -1.47 120.40 127.66 1xt5 s VAL 131 Ca 0.13 -0.54 -0.34 0.00 0.00 0.00 0.00 61.98 61.23 1xt5 s VAL 131 Cb -0.13 -3.58 -0.14 0.00 0.00 0.00 0.00 36.38 32.53 1xt5 s VAL 131 CO 0.04 -0.10 1.58 0.41 0.00 0.00 0.00 175.10 177.03 1xt5 n THR 132 N 5.04 0.04 -0.99 3.92 -1.04 -0.22 -1.09 114.28 119.94 1xt5 n THR 132 Ca -0.13 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1xt5 n THR 132 Cb 0.48 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1xt5 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xt5 n GLY 133 N 3.39 0.84 1.41 3.41 0.00 -1.26 -4.44 105.19 108.54 1xt5 n GLY 133 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1xt5 n GLY 133 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xt5 n HIS 134 N -2.31 0.00 0.94 1.61 8.25 -0.27 -5.15 115.22 118.30 1xt5 n HIS 134 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1xt5 n HIS 134 Cb 0.00 0.24 0.45 0.00 1.12 0.00 0.00 29.99 31.80 1xt5 n HIS 134 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39