#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xhj s ASN 2 N 0.00 7.12 -0.19 4.04 0.01 0.82 -4.88 114.94 121.87 2xhj s ASN 2 Ca 0.00 1.33 -0.08 0.00 -0.71 0.00 0.00 52.86 53.39 2xhj s ASN 2 Cb 0.00 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 2xhj s ASN 2 CO 0.00 0.23 0.08 -0.94 -1.51 0.00 0.00 177.10 174.96 2xhj s SER 3 N -0.94 5.79 -0.09 -1.22 1.04 -1.26 -0.96 113.70 116.07 2xhj s SER 3 Ca 0.31 0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.88 2xhj s SER 3 Cb -0.20 -2.00 0.02 0.00 0.10 0.00 0.00 66.02 63.94 2xhj s SER 3 CO 0.20 0.18 -0.11 -0.63 0.98 0.00 0.00 173.24 173.86 2xhj s ILE 4 N 0.36 1.14 -0.12 -1.02 1.01 0.23 -0.55 121.20 122.25 2xhj s ILE 4 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 2xhj s ILE 4 Cb -0.12 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 2xhj s ILE 4 CO -0.01 0.37 -0.12 -0.89 0.00 0.00 0.00 174.94 174.29 2xhj s THR 5 N 1.04 3.13 -0.16 2.92 2.01 0.04 -0.77 115.64 123.84 2xhj s THR 5 Ca -0.07 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 2xhj s THR 5 Cb -0.15 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 2xhj s THR 5 CO -0.01 0.53 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.71 2xhj s VAL 6 N 0.22 3.63 -0.31 3.82 1.01 0.18 -0.17 120.40 128.77 2xhj s VAL 6 Ca -0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 2xhj s VAL 6 Cb -0.15 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.68 2xhj s VAL 6 CO 0.05 0.48 0.05 -0.60 0.00 0.00 0.00 175.10 175.08 2xhj s ARG 7 N 0.60 2.60 0.20 2.72 3.52 -0.35 -0.24 118.95 128.00 2xhj s ARG 7 Ca -0.04 -1.17 -0.14 0.00 -0.13 0.00 0.00 55.73 54.25 2xhj s ARG 7 Cb -0.15 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2xhj s ARG 7 CO 0.03 -0.61 0.46 0.00 -0.81 0.00 0.00 175.30 174.36 2xhj s ALA 8 N 1.35 -0.54 0.07 6.12 0.00 -0.87 -0.74 121.76 127.15 2xhj s ALA 8 Ca -0.03 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.31 2xhj s ALA 8 Cb -0.19 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 2xhj s ALA 8 CO 0.01 -0.78 0.15 -0.98 0.00 0.00 0.00 175.76 174.16 2xhj s ARG 9 N -3.93 0.78 0.16 0.00 1.70 -0.03 -2.42 118.95 115.20 2xhj s ARG 9 Ca 0.14 -0.95 0.06 0.00 -0.47 0.00 0.00 55.73 54.52 2xhj s ARG 9 Cb -0.00 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2xhj s ARG 9 CO 0.01 -0.23 0.04 0.20 -1.08 0.00 0.00 175.30 174.24 2xhj s GLY 10 N -2.73 1.75 0.14 3.88 0.00 0.38 -1.14 107.32 109.60 2xhj s GLY 10 Ca 0.03 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.49 2xhj s GLY 10 CO -0.10 -1.31 1.32 -0.39 0.00 0.00 0.00 173.10 172.63 2xhj h VAL 11 N 2.37 1.57 0.00 1.40 -1.51 -1.46 -3.35 116.25 115.28 2xhj h VAL 11 Ca -0.47 -2.95 0.00 0.00 -1.23 0.00 0.00 66.70 62.05 2xhj h VAL 11 Cb 1.20 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 33.02 2xhj h VAL 11 CO 0.60 0.85 0.00 -0.46 -1.23 0.00 0.00 177.57 177.33 2xhj n ASN 12 N -3.54 1.14 0.00 4.19 6.94 -1.26 -4.92 115.26 117.82 2xhj n ASN 12 Ca -0.03 -1.29 0.00 0.00 -0.02 0.00 0.00 54.58 53.24 2xhj n ASN 12 Cb 0.88 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.30 2xhj n ASN 12 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xhj n GLY 13 N -0.15 0.49 0.08 4.83 0.00 -1.26 -4.86 105.19 104.32 2xhj n GLY 13 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2xhj n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xhj n GLN 14 N -2.51 0.20 -2.33 1.61 6.02 -1.26 -4.66 117.38 114.46 2xhj n GLN 14 Ca 0.00 -0.16 -0.41 0.00 -0.01 0.00 0.00 57.00 56.42 2xhj n GLN 14 Cb 0.05 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.78 2xhj n GLN 14 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2xhj s GLU 15 N -2.91 4.50 -0.10 -1.09 8.01 -1.26 -4.87 118.70 120.97 2xhj s GLU 15 Ca 0.10 1.95 0.01 0.00 0.01 0.00 0.00 54.97 57.05 2xhj s GLU 15 Cb 0.17 -3.18 -0.02 0.00 -4.31 0.00 0.00 34.13 26.79 2xhj s GLU 15 CO 0.79 -0.02 -0.15 0.45 0.01 0.00 0.00 175.26 176.35 2xhj s SER 16 N -0.36 3.92 0.08 -0.19 0.15 -1.26 -0.72 113.70 115.33 2xhj s SER 16 Ca 0.49 -0.31 0.07 0.00 0.70 0.00 0.00 55.95 56.90 2xhj s SER 16 Cb -0.35 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 2xhj s SER 16 CO 0.42 0.22 -0.18 0.68 1.20 0.00 0.00 173.24 175.58 2xhj s VAL 17 N 0.03 1.48 -0.05 4.45 -7.23 -0.41 -2.35 120.40 116.32 2xhj s VAL 17 Ca -0.05 -1.40 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2xhj s VAL 17 Cb -0.14 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 2xhj s VAL 17 CO 0.04 -0.09 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.09 2xhj s SER 18 N -1.74 2.72 -0.31 4.85 0.01 0.36 -0.93 113.70 118.65 2xhj s SER 18 Ca 0.03 -0.45 -0.23 0.00 1.31 0.00 0.00 55.95 56.61 2xhj s SER 18 Cb -0.10 -0.76 -0.00 0.00 0.21 0.00 0.00 66.02 65.37 2xhj s SER 18 CO 0.03 0.21 0.76 -0.22 0.41 0.00 0.00 173.24 174.43 2xhj s LEU 19 N -0.07 4.10 -0.06 2.44 2.96 -0.07 -0.98 118.68 127.00 2xhj s LEU 19 Ca -0.04 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 2xhj s LEU 19 Cb -0.13 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.52 2xhj s LEU 19 CO 0.03 -0.60 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.14 2xhj s GLN 20 N 2.91 2.58 -0.10 1.98 -0.21 -0.18 -0.37 119.66 126.27 2xhj s GLN 20 Ca 0.31 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.83 2xhj s GLN 20 Cb -0.14 -2.23 0.02 0.00 1.00 0.00 0.00 33.01 31.66 2xhj s GLN 20 CO 0.13 0.42 -0.08 0.08 -2.12 0.00 0.00 175.29 173.72 2xhj s VAL 21 N -0.24 0.98 -1.52 1.09 1.01 -0.10 -0.30 120.40 121.31 2xhj s VAL 21 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2xhj s VAL 21 Cb -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2xhj s VAL 21 CO 0.03 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2xhj n GLY 22 N 4.70 0.25 0.87 4.51 0.00 -0.09 -1.43 105.19 113.99 2xhj n GLY 22 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2xhj n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xhj n GLY 23 N -0.69 0.77 3.73 -0.02 0.00 -1.26 -4.93 105.19 102.79 2xhj n GLY 23 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2xhj n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xhj s THR 24 N -2.41 5.28 -0.31 2.61 2.01 -0.51 -5.05 115.64 117.27 2xhj s THR 24 Ca 0.00 0.62 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 2xhj s THR 24 Cb 0.00 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.86 2xhj s THR 24 CO 0.00 0.38 1.07 -0.89 -0.69 0.00 0.00 174.62 174.48 2xhj s THR 25 N 0.50 4.53 -0.07 -0.82 2.01 -1.26 -0.93 115.64 119.60 2xhj s THR 25 Ca 0.18 1.76 -0.06 0.00 0.31 0.00 0.00 61.69 63.88 2xhj s THR 25 Cb -0.13 -4.40 -0.28 0.00 0.01 0.00 0.00 72.50 67.70 2xhj s THR 25 CO 0.05 -0.44 0.55 0.58 -0.69 0.00 0.00 174.62 174.67 2xhj h VAL 26 N 5.70 0.81 -2.56 3.82 2.07 -1.08 -3.49 116.25 121.52 2xhj h VAL 26 Ca -0.20 -2.48 -0.03 0.00 0.82 0.00 0.00 66.70 64.80 2xhj h VAL 26 Cb 1.06 2.61 -0.15 0.00 -1.52 0.00 0.00 31.29 33.29 2xhj h VAL 26 CO 1.03 0.84 0.22 -1.58 0.02 0.00 0.00 177.57 178.10 2xhj s GLN 27 N -2.58 1.17 -0.01 1.57 2.00 -1.17 -5.02 119.66 115.61 2xhj s GLN 27 Ca -0.17 -0.17 0.00 0.00 -2.00 0.00 0.00 55.36 53.02 2xhj s GLN 27 Cb 0.06 0.54 0.01 0.00 0.80 0.00 0.00 33.01 34.43 2xhj s GLN 27 CO 0.81 -0.46 0.01 0.99 -0.50 0.00 0.00 175.29 176.14 2xhj s THR 28 N -2.69 0.04 0.01 -0.34 2.01 -1.26 -0.90 115.64 112.51 2xhj s THR 28 Ca -0.04 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2xhj s THR 28 Cb -0.01 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.39 2xhj s THR 28 CO -0.04 0.06 -0.04 0.26 -0.69 0.00 0.00 174.62 174.17 2xhj s TRP 29 N 0.55 0.39 -0.10 4.92 0.51 -0.11 -5.00 118.94 120.09 2xhj s TRP 29 Ca -0.05 -0.23 -0.24 0.00 -2.12 0.00 0.00 56.10 53.47 2xhj s TRP 29 Cb -0.07 -0.25 -0.03 0.00 -0.81 0.00 0.00 33.47 32.31 2xhj s TRP 29 CO -0.01 -0.05 0.74 0.99 -0.51 0.00 0.00 176.95 178.11 2xhj s THR 30 N -0.57 4.99 0.58 2.01 2.01 -1.26 -1.28 115.64 122.11 2xhj s THR 30 Ca -0.04 1.50 -0.09 0.00 0.31 0.00 0.00 61.69 63.38 2xhj s THR 30 Cb -0.05 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2xhj s THR 30 CO -0.00 0.17 0.95 -0.76 -0.69 0.00 0.00 174.62 174.28 2xhj s LEU 31 N 1.30 3.33 0.55 4.42 1.43 0.11 -5.01 118.68 124.81 2xhj s LEU 31 Ca 0.38 1.18 0.09 0.00 -1.03 0.00 0.00 54.13 54.74 2xhj s LEU 31 Cb -0.17 -4.16 0.07 0.00 0.03 0.00 0.00 46.19 41.95 2xhj s LEU 31 CO 0.16 -0.83 0.67 0.42 0.23 0.00 0.00 176.35 177.00 2xhj s THR 32 N -3.04 2.12 -1.82 5.49 -4.23 -1.26 -4.47 115.64 108.43 2xhj s THR 32 Ca 0.53 -1.13 0.29 0.00 -1.18 0.00 0.00 61.69 60.20 2xhj s THR 32 Cb -0.11 -2.24 0.52 0.00 1.34 0.00 0.00 72.50 72.01 2xhj s THR 32 CO 0.50 0.00 1.88 0.35 -0.54 0.00 0.00 174.62 176.81 2xhj n THR 33 N -2.08 0.00 0.00 3.99 -2.24 -1.25 -0.47 114.28 112.23 2xhj n THR 33 Ca 0.11 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2xhj n THR 33 Cb 0.62 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2xhj n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xhj n ALA 34 N -0.79 0.00 0.00 6.98 0.00 -1.26 -4.69 120.51 120.75 2xhj n ALA 34 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2xhj n ALA 34 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2xhj n ALA 34 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2xhj n GLN 36 N 0.00 0.00 -2.80 0.00 -0.06 -1.02 -4.48 117.38 109.03 2xhj n GLN 36 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 2xhj n GLN 36 Cb 0.00 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.14 2xhj n GLN 36 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2xhj s ASP 37 N 0.00 7.32 -0.09 1.69 1.01 -1.26 -2.05 116.67 123.29 2xhj s ASP 37 Ca 0.00 1.59 0.02 0.00 0.71 0.00 0.00 52.55 54.87 2xhj s ASP 37 Cb 0.00 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2xhj s ASP 37 CO 0.00 -0.16 -0.16 -0.31 0.21 0.00 0.00 175.17 174.74 2xhj s TYR 38 N 0.64 1.95 0.09 4.23 2.02 0.66 -4.97 117.35 121.98 2xhj s TYR 38 Ca 0.47 -0.83 0.09 0.00 -0.37 0.00 0.00 57.07 56.43 2xhj s TYR 38 Cb -0.21 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2xhj s TYR 38 CO 0.26 -0.40 -0.23 0.95 -1.57 0.00 0.00 175.55 174.56 2xhj s THR 39 N 0.72 1.90 0.15 -0.71 -4.23 -1.26 0.47 115.64 112.68 2xhj s THR 39 Ca -0.12 -1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 58.73 2xhj s THR 39 Cb -0.16 -1.69 0.01 0.00 1.34 0.00 0.00 72.50 72.00 2xhj s THR 39 CO 0.03 0.07 0.35 0.00 -0.54 0.00 0.00 174.62 174.53 2xhj s ALA 40 N -1.04 -0.46 0.05 3.99 0.00 0.05 -5.01 121.76 119.34 2xhj s ALA 40 Ca 0.09 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.60 2xhj s ALA 40 Cb -0.10 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 2xhj s ALA 40 CO 0.04 -0.67 -0.15 -1.12 0.00 0.00 0.00 175.76 173.87 2xhj s SER 41 N -2.89 1.76 -0.11 0.00 0.01 -1.26 -0.60 113.70 110.61 2xhj s SER 41 Ca 0.10 -0.52 -0.27 0.00 1.31 0.00 0.00 55.95 56.57 2xhj s SER 41 Cb 0.02 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.22 2xhj s SER 41 CO -0.05 0.01 0.64 0.28 0.41 0.00 0.00 173.24 174.53 2xhj s THR 42 N -0.98 0.01 -0.67 1.44 -1.32 -0.13 -4.95 115.64 109.03 2xhj s THR 42 Ca 0.01 -0.05 0.26 0.00 -1.21 0.00 0.00 61.69 60.70 2xhj s THR 42 Cb -0.09 -0.94 0.30 0.00 -1.51 0.00 0.00 72.50 70.26 2xhj s THR 42 CO 0.02 -0.03 1.75 0.77 -2.21 0.00 0.00 174.62 174.92 2xhj h SER 43 N 3.72 0.00 -4.07 8.08 4.64 -1.93 0.23 113.55 124.22 2xhj h SER 43 Ca -0.28 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.52 2xhj h SER 43 Cb 1.15 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.34 2xhj h SER 43 CO 0.30 0.00 0.48 -0.76 -0.87 0.00 0.00 176.83 175.97 2xhj s LEU 44 N -4.85 3.77 0.00 5.97 1.43 -1.26 -4.88 118.68 118.86 2xhj s LEU 44 Ca 0.10 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2xhj s LEU 44 Cb 0.11 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.83 2xhj s LEU 44 CO 0.60 -1.37 0.47 0.35 0.23 0.00 0.00 176.35 176.63 2xhj n THR 45 N -1.26 0.18 -0.33 5.49 -2.24 -1.26 -4.87 114.28 109.99 2xhj n THR 45 Ca 0.12 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 2xhj n THR 45 Cb 0.49 1.15 0.16 0.00 -2.10 0.00 0.00 70.33 70.03 2xhj n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xhj n GLY 46 N -0.09 -3.49 3.67 3.38 0.00 -1.26 -2.21 105.19 105.19 2xhj n GLY 46 Ca 0.00 -1.33 -0.46 0.00 0.00 0.00 0.00 46.02 44.23 2xhj n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2xhj n GLU 47 N -3.90 2.19 -3.25 1.61 2.13 -1.26 -2.50 120.64 115.65 2xhj n GLU 47 Ca 0.08 0.79 -0.39 0.00 0.66 0.00 0.00 57.16 58.30 2xhj n GLU 47 Cb 0.33 -2.57 -0.06 0.00 0.27 0.00 0.00 31.44 29.41 2xhj n GLU 47 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2xhj s ILE 48 N 1.16 5.12 -0.02 6.31 1.01 -0.19 -0.92 121.20 133.67 2xhj s ILE 48 Ca 0.80 0.97 0.07 0.00 0.00 0.00 0.00 60.65 62.48 2xhj s ILE 48 Cb -0.67 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 37.94 2xhj s ILE 48 CO 0.39 0.21 -0.22 -0.13 0.00 0.00 0.00 174.94 175.19 2xhj s ARG 49 N 1.38 1.78 -0.31 2.79 0.52 0.58 -0.76 118.95 124.94 2xhj s ARG 49 Ca 0.25 -0.77 -0.09 0.00 -0.52 0.00 0.00 55.73 54.59 2xhj s ARG 49 Cb -0.15 -1.71 -0.00 0.00 0.52 0.00 0.00 34.95 33.60 2xhj s ARG 49 CO 0.10 0.46 0.15 0.08 0.02 0.00 0.00 175.30 176.10 2xhj s VAL 50 N -0.48 4.52 -0.15 3.52 1.01 -0.52 -1.01 120.40 127.28 2xhj s VAL 50 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2xhj s VAL 50 Cb -0.09 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2xhj s VAL 50 CO -0.01 0.05 -0.14 0.00 0.00 0.00 0.00 175.10 175.00 2xhj s ALA 51 N 1.59 2.54 -0.21 5.51 0.00 -0.15 -1.55 121.76 129.50 2xhj s ALA 51 Ca 0.04 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 2xhj s ALA 51 Cb -0.17 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 2xhj s ALA 51 CO 0.06 0.05 0.42 0.12 0.00 0.00 0.00 175.76 176.42 2xhj s PHE 52 N 0.68 3.35 -0.04 0.00 5.36 0.39 -0.49 117.98 127.24 2xhj s PHE 52 Ca -0.07 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 2xhj s PHE 52 Cb -0.16 -2.57 -0.00 0.00 -0.34 0.00 0.00 43.02 39.95 2xhj s PHE 52 CO 0.02 -0.07 0.17 0.25 -1.46 0.00 0.00 175.22 174.13 2xhj n THR 53 N 4.52 0.00 -2.58 0.12 -2.24 -0.99 -1.91 114.28 111.20 2xhj n THR 53 Ca -0.07 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 61.06 2xhj n THR 53 Cb 0.51 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.76 2xhj n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2xhj n ASN 54 N -0.70 2.71 -4.65 3.42 6.94 -1.26 -5.01 115.26 116.72 2xhj n ASN 54 Ca 0.00 -3.05 -0.45 0.00 -0.02 0.00 0.00 54.58 51.07 2xhj n ASN 54 Cb 0.01 -0.49 -0.02 0.00 -2.36 0.00 0.00 39.78 36.91 2xhj n ASN 54 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2xhj n ASP 55 N -0.27 2.32 -3.33 0.53 2.03 -1.26 -4.86 116.55 111.70 2xhj n ASP 55 Ca 0.21 1.16 -0.08 0.00 0.52 0.00 0.00 54.79 56.60 2xhj n ASP 55 Cb 0.77 -1.39 0.01 0.00 -0.72 0.00 0.00 41.12 39.79 2xhj n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xhj s ALA 56 N -0.45 -1.01 -0.08 -1.67 0.00 -1.26 -5.02 121.76 112.28 2xhj s ALA 56 Ca 0.65 -0.53 -0.36 0.00 0.00 0.00 0.00 51.96 51.72 2xhj s ALA 56 Cb -0.67 0.74 -0.14 0.00 0.00 0.00 0.00 23.12 23.05 2xhj s ALA 56 CO 0.54 -1.01 1.69 2.41 0.00 0.00 0.00 175.76 179.39 2xhj n THR 57 N -0.51 0.29 -0.24 0.00 -1.04 -1.26 -1.89 114.28 109.63 2xhj n THR 57 Ca -0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2xhj n THR 57 Cb 0.60 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 2xhj n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2xhj n GLY 58 N 3.84 1.21 3.73 3.41 0.00 -1.26 -5.04 105.19 111.08 2xhj n GLY 58 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2xhj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xhj s ARG 59 N -0.47 3.94 0.02 1.61 0.52 -0.79 -4.18 118.95 119.60 2xhj s ARG 59 Ca 0.00 -0.25 -0.24 0.00 -0.52 0.00 0.00 55.73 54.72 2xhj s ARG 59 Cb 0.00 -3.29 0.06 0.00 0.52 0.00 0.00 34.95 32.24 2xhj s ARG 59 CO 0.00 0.40 0.56 -0.51 0.02 0.00 0.00 175.30 175.77 2xhj s ASP 60 N 0.05 -0.50 -0.03 0.23 1.01 -1.26 -4.57 116.67 111.60 2xhj s ASP 60 Ca 0.08 0.31 0.07 0.00 0.71 0.00 0.00 52.55 53.72 2xhj s ASP 60 Cb -0.12 0.50 -0.02 0.00 1.01 0.00 0.00 42.92 44.30 2xhj s ASP 60 CO -0.00 -0.69 -0.24 -0.69 0.21 0.00 0.00 175.17 173.76 2xhj s VAL 61 N -2.12 1.92 -0.14 -1.27 1.01 0.18 -1.23 120.40 118.75 2xhj s VAL 61 Ca -0.07 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2xhj s VAL 61 Cb -0.01 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.79 2xhj s VAL 61 CO 0.01 0.54 -0.16 -1.58 0.00 0.00 0.00 175.10 173.91 2xhj s GLN 62 N -0.45 2.43 -0.17 2.72 0.74 -0.29 -0.26 119.66 124.38 2xhj s GLN 62 Ca 0.06 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 54.81 2xhj s GLN 62 Cb -0.10 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.85 2xhj s GLN 62 CO 0.00 -0.16 -0.05 0.08 -0.55 0.00 0.00 175.29 174.61 2xhj s VAL 63 N 1.26 3.67 -0.12 1.34 1.01 0.48 -0.85 120.40 127.19 2xhj s VAL 63 Ca 0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 2xhj s VAL 63 Cb -0.14 -2.62 -0.13 0.00 0.00 0.00 0.00 36.38 33.50 2xhj s VAL 63 CO -0.07 0.48 0.37 -0.78 0.00 0.00 0.00 175.10 175.09 2xhj h ASP 64 N 7.07 0.00 -5.60 3.32 1.82 -1.24 -3.42 116.42 118.38 2xhj h ASP 64 Ca -0.33 -0.48 0.26 0.00 -0.39 0.00 0.00 57.03 56.09 2xhj h ASP 64 Cb 1.19 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.11 2xhj h ASP 64 CO 0.61 0.75 0.70 -0.72 -1.61 0.00 0.00 179.24 178.97 2xhj s TYR 65 N -1.89 -0.05 0.22 0.28 -0.85 -1.21 -1.15 117.35 112.71 2xhj s TYR 65 Ca -0.10 -0.15 0.10 0.00 -0.52 0.00 0.00 57.07 56.40 2xhj s TYR 65 Cb -0.01 0.60 -0.05 0.00 0.38 0.00 0.00 41.96 42.88 2xhj s TYR 65 CO 0.34 -0.53 -0.18 0.96 -1.52 0.00 0.00 175.55 174.63 2xhj s ILE 66 N -2.64 2.06 -0.10 -3.49 -4.36 -0.67 -1.21 121.20 110.78 2xhj s ILE 66 Ca 0.16 -2.23 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 2xhj s ILE 66 Cb 0.02 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.62 2xhj s ILE 66 CO -0.01 -0.45 -0.23 -0.69 0.24 0.00 0.00 174.94 173.80 2xhj s VAL 67 N -2.58 2.01 -0.23 8.37 1.01 0.76 -0.56 120.40 129.19 2xhj s VAL 67 Ca 0.24 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2xhj s VAL 67 Cb -0.04 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.65 2xhj s VAL 67 CO 0.10 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.94 2xhj s VAL 68 N 0.42 1.91 -1.48 2.92 1.01 -0.08 -0.78 120.40 124.32 2xhj s VAL 68 Ca -0.17 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 2xhj s VAL 68 Cb -0.18 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2xhj s VAL 68 CO 0.07 0.10 0.47 0.59 0.00 0.00 0.00 175.10 176.33 2xhj n ASN 69 N 4.56 -0.88 0.00 3.32 3.02 0.28 -1.64 115.26 123.92 2xhj n ASN 69 Ca -0.15 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2xhj n ASN 69 Cb 0.45 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.74 2xhj n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xhj n GLY 70 N -1.91 1.22 3.46 7.41 0.00 -1.26 -5.02 105.19 109.09 2xhj n GLY 70 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2xhj n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xhj s GLN 71 N -0.25 3.66 0.04 1.61 -0.21 -0.65 -5.08 119.66 118.77 2xhj s GLN 71 Ca 0.00 -0.49 -0.26 0.00 0.02 0.00 0.00 55.36 54.63 2xhj s GLN 71 Cb 0.00 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.74 2xhj s GLN 71 CO 0.00 -0.08 0.82 0.99 -2.12 0.00 0.00 175.29 174.90 2xhj s THR 72 N 1.29 4.75 -0.27 -0.19 2.01 -1.26 -0.90 115.64 121.05 2xhj s THR 72 Ca 0.04 1.74 0.03 0.00 0.31 0.00 0.00 61.69 63.81 2xhj s THR 72 Cb -0.15 -4.17 0.07 0.00 0.01 0.00 0.00 72.50 68.26 2xhj s THR 72 CO 0.02 0.32 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.06 2xhj s ARG 73 N 0.20 2.15 0.20 4.92 0.52 0.27 -4.99 118.95 122.22 2xhj s ARG 73 Ca 0.42 -1.42 -0.30 0.00 -0.52 0.00 0.00 55.73 53.91 2xhj s ARG 73 Cb -0.21 -2.96 -0.08 0.00 0.52 0.00 0.00 34.95 32.22 2xhj s ARG 73 CO 0.24 -0.63 1.23 -0.65 0.02 0.00 0.00 175.30 175.52 2xhj s GLN 74 N 1.08 4.46 0.26 3.54 -1.52 -1.26 -1.67 119.66 124.55 2xhj s GLN 74 Ca -0.06 1.94 -0.04 0.00 -1.95 0.00 0.00 55.36 55.25 2xhj s GLN 74 Cb -0.20 -3.22 0.33 0.00 -0.22 0.00 0.00 33.01 29.71 2xhj s GLN 74 CO -0.05 -0.13 1.92 0.00 -0.25 0.00 0.00 175.29 176.78 2xhj h ALA 75 N 5.17 1.34 0.00 6.09 0.00 -1.38 -1.81 119.26 128.67 2xhj h ALA 75 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2xhj h ALA 75 Cb 1.21 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2xhj h ALA 75 CO 0.75 0.58 0.00 1.05 0.00 0.00 0.00 179.25 181.63 2xhj h GLU 76 N 1.28 0.00 -0.00 0.00 9.09 -1.77 -1.72 114.58 121.45 2xhj h GLU 76 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 2xhj h GLU 76 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 2xhj h GLU 76 CO -0.10 0.00 -0.10 0.09 0.05 0.00 0.00 179.01 178.94 2xhj n ASN 77 N -2.99 0.44 -4.68 3.06 3.02 -0.68 -4.29 115.26 109.14 2xhj n ASN 77 Ca -0.00 -0.54 -0.38 0.00 -0.03 0.00 0.00 54.58 53.63 2xhj n ASN 77 Cb 0.24 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 2xhj n ASN 77 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2xhj s GLN 78 N -2.48 4.20 0.31 3.52 -1.52 -0.64 -4.94 119.66 118.11 2xhj s GLN 78 Ca 0.29 0.26 0.26 0.00 -1.95 0.00 0.00 55.36 54.21 2xhj s GLN 78 Cb 0.20 -3.52 0.90 0.00 -0.22 0.00 0.00 33.01 30.37 2xhj s GLN 78 CO 0.47 -0.01 1.76 0.66 -0.25 0.00 0.00 175.29 177.93 2xhj h SER 79 N 7.25 0.00 -3.57 5.90 4.64 -1.88 0.04 113.55 125.94 2xhj h SER 79 Ca -0.37 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.28 2xhj h SER 79 Cb 1.16 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.99 2xhj h SER 79 CO 0.73 0.00 -0.65 -0.69 -0.87 0.00 0.00 176.83 175.35 2xhj s VAL 80 N -3.28 3.87 -0.16 0.95 1.01 -1.26 -4.25 120.40 117.28 2xhj s VAL 80 Ca 0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2xhj s VAL 80 Cb 0.10 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.63 2xhj s VAL 80 CO 0.52 0.19 0.20 0.21 0.00 0.00 0.00 175.10 176.22 2xhj s ASN 81 N 1.51 1.17 0.00 3.32 3.84 -1.26 -1.96 114.94 121.55 2xhj s ASN 81 Ca 0.04 -0.01 0.20 0.00 0.21 0.00 0.00 52.86 53.29 2xhj s ASN 81 Cb -0.16 0.34 0.20 0.00 -0.55 0.00 0.00 41.25 41.07 2xhj s ASN 81 CO 0.01 -0.30 1.16 0.35 -2.79 0.00 0.00 177.10 175.54 2xhj n THR 82 N 5.32 0.11 -0.01 -5.21 -2.24 0.10 -4.42 114.28 107.93 2xhj n THR 82 Ca -0.05 -0.55 0.03 0.00 -2.27 0.00 0.00 64.05 61.21 2xhj n THR 82 Cb 0.50 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.98 2xhj n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xhj n GLY 83 N 1.14 -0.35 3.76 3.38 0.00 -1.26 -2.89 105.19 108.97 2xhj n GLY 83 Ca 0.13 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2xhj n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xhj s VAL 84 N -2.51 2.49 -0.45 1.61 0.11 -1.18 -0.63 120.40 119.84 2xhj s VAL 84 Ca -0.03 0.47 -0.21 0.00 -2.93 0.00 0.00 61.98 59.28 2xhj s VAL 84 Cb 0.05 -3.30 0.03 0.00 -1.53 0.00 0.00 36.38 31.63 2xhj s VAL 84 CO 0.32 0.10 0.66 0.86 -3.33 0.00 0.00 175.10 173.71 2xhj s TRP 85 N -0.74 3.04 -0.11 1.54 -0.11 -1.26 0.31 118.94 121.62 2xhj s TRP 85 Ca 0.54 -0.11 -0.18 0.00 1.22 0.00 0.00 56.10 57.57 2xhj s TRP 85 Cb -0.43 -3.43 0.04 0.00 -1.50 0.00 0.00 33.47 28.16 2xhj s TRP 85 CO 0.52 -0.92 0.46 0.00 -4.62 0.00 0.00 176.95 172.39 2xhj s ALA 86 N 2.88 -1.15 -1.52 5.86 0.00 -0.83 -4.88 121.76 122.12 2xhj s ALA 86 Ca 0.22 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 53.11 2xhj s ALA 86 Cb -0.15 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.65 2xhj s ALA 86 CO 0.18 -0.26 0.80 -1.71 0.00 0.00 0.00 175.76 174.78 2xhj n ASN 87 N 2.06 -3.14 -3.84 0.00 5.15 -1.26 -2.41 115.26 111.82 2xhj n ASN 87 Ca -0.17 -0.88 -0.28 0.00 -0.60 0.00 0.00 54.58 52.65 2xhj n ASN 87 Cb 0.57 -3.52 0.04 0.00 -0.53 0.00 0.00 39.78 36.33 2xhj n ASN 87 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2xhj n ASN 88 N -2.86 -4.68 -3.52 1.20 3.02 -1.26 -4.96 115.26 102.21 2xhj n ASN 88 Ca -0.06 -0.74 -0.09 0.00 -0.03 0.00 0.00 54.58 53.65 2xhj n ASN 88 Cb 0.57 -4.09 -0.02 0.00 -0.61 0.00 0.00 39.78 35.63 2xhj n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xhj s GLN 89 N -6.50 0.97 0.25 3.52 -2.07 -1.01 -5.11 119.66 109.71 2xhj s GLN 89 Ca 0.58 -0.39 -0.30 0.00 -1.82 0.00 0.00 55.36 53.44 2xhj s GLN 89 Cb -0.29 0.43 -0.09 0.00 -1.09 0.00 0.00 33.01 31.97 2xhj s GLN 89 CO 0.81 -0.43 1.23 0.00 -1.32 0.00 0.00 175.29 175.58 2xhj n GLY 91 N 1.62 -0.17 0.25 0.00 0.00 0.15 -4.82 105.19 102.21 2xhj n GLY 91 Ca 0.02 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.14 2xhj n GLY 91 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2xhj h GLY 92 N -1.47 0.00 -4.40 -0.02 0.00 -1.45 -3.45 103.07 92.29 2xhj h GLY 92 Ca -0.40 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 2xhj h GLY 92 CO 0.41 0.00 -0.15 -0.45 0.00 0.00 0.00 176.54 176.35 2xhj s SER 93 N -5.41 -0.33 0.91 0.19 0.15 -1.26 -4.81 113.70 103.15 2xhj s SER 93 Ca 0.02 0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 2xhj s SER 93 Cb 0.09 0.39 0.19 0.00 -1.71 0.00 0.00 66.02 64.98 2xhj s SER 93 CO 0.52 -0.48 1.25 -0.83 1.20 0.00 0.00 173.24 174.89 2xhj s GLY 94 N -1.24 1.79 -1.17 9.45 0.00 -1.26 -4.39 107.32 110.50 2xhj s GLY 94 Ca -0.12 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.17 2xhj s GLY 94 CO 0.06 -0.66 0.96 0.70 0.00 0.00 0.00 173.10 174.16 2xhj n ASN 95 N -3.56 -3.20 -4.02 1.64 4.13 0.00 -4.97 115.26 105.28 2xhj n ASN 95 Ca 0.16 -0.66 -0.14 0.00 1.68 0.00 0.00 54.58 55.62 2xhj n ASN 95 Cb 0.60 -5.07 -0.13 0.00 -1.54 0.00 0.00 39.78 33.64 2xhj n ASN 95 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2xhj s SER 96 N -4.10 0.74 0.25 6.41 0.15 -1.26 -4.82 113.70 111.07 2xhj s SER 96 Ca 0.12 -0.36 0.26 0.00 0.70 0.00 0.00 55.95 56.66 2xhj s SER 96 Cb -0.02 -0.00 0.79 0.00 -1.71 0.00 0.00 66.02 65.08 2xhj s SER 96 CO 0.74 -0.10 1.75 -0.33 1.20 0.00 0.00 173.24 176.50 2xhj h GLU 97 N 5.11 0.00 -5.79 5.44 5.08 -1.81 -3.40 114.58 119.21 2xhj h GLU 97 Ca -0.32 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.40 2xhj h GLU 97 Cb 1.20 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 2xhj h GLU 97 CO 0.44 0.00 -0.34 -1.58 -1.00 0.00 0.00 179.01 176.53 2xhj s TRP 98 N -3.15 3.65 -0.30 4.33 0.52 -1.26 -0.39 118.94 122.33 2xhj s TRP 98 Ca 0.09 0.74 0.03 0.00 0.02 0.00 0.00 56.10 56.98 2xhj s TRP 98 Cb 0.11 -2.13 0.09 0.00 -1.15 0.00 0.00 33.47 30.38 2xhj s TRP 98 CO 0.58 0.65 0.01 -0.51 0.02 0.00 0.00 176.95 177.70 2xhj s LEU 99 N -0.92 3.76 -0.21 2.99 1.43 0.64 -3.09 118.68 123.28 2xhj s LEU 99 Ca 0.19 -1.77 -0.21 0.00 -1.03 0.00 0.00 54.13 51.31 2xhj s LEU 99 Cb -0.14 -1.42 -0.19 0.00 0.03 0.00 0.00 46.19 44.47 2xhj s LEU 99 CO 0.08 -0.33 0.18 1.41 0.23 0.00 0.00 176.35 177.93 2xhj n HIS 100 N 4.45 0.96 -2.33 0.29 8.25 -0.55 -0.65 115.22 125.64 2xhj n HIS 100 Ca -0.03 0.42 -0.27 0.00 -0.26 0.00 0.00 57.72 57.58 2xhj n HIS 100 Cb 0.42 -1.09 0.04 0.00 1.12 0.00 0.00 29.99 30.48 2xhj n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xhj n ASN 102 N -2.65 3.09 0.00 0.00 3.02 -1.26 -4.61 115.26 112.85 2xhj n ASN 102 Ca 0.05 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 2xhj n ASN 102 Cb 0.58 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 2xhj n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xhj n GLY 103 N 2.63 -0.50 3.33 7.41 0.00 -0.80 -4.58 105.19 112.68 2xhj n GLY 103 Ca 0.13 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2xhj n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2xhj s TYR 104 N -3.07 0.06 -0.19 1.61 -0.85 -1.26 -0.46 117.35 113.19 2xhj s TYR 104 Ca 0.00 -0.42 -0.05 0.00 -0.52 0.00 0.00 57.07 56.08 2xhj s TYR 104 Cb 0.00 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.43 2xhj s TYR 104 CO 0.00 -0.70 -0.00 0.42 -1.52 0.00 0.00 175.55 173.75 2xhj s ILE 105 N -3.87 4.04 -0.08 -3.49 1.01 -0.59 -0.72 121.20 117.50 2xhj s ILE 105 Ca 0.08 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.26 2xhj s ILE 105 Cb 0.03 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 2xhj s ILE 105 CO -0.07 0.45 0.48 -0.55 0.00 0.00 0.00 174.94 175.25 2xhj s SER 106 N 0.75 6.75 -0.02 3.58 0.15 -0.83 -1.43 113.70 122.64 2xhj s SER 106 Ca 0.00 0.89 0.09 0.00 0.70 0.00 0.00 55.95 57.63 2xhj s SER 106 Cb -0.14 -2.29 0.27 0.00 -1.71 0.00 0.00 66.02 62.15 2xhj s SER 106 CO 0.02 0.08 1.22 0.49 1.20 0.00 0.00 173.24 176.25 2xhj n PHE 107 N 3.18 0.41 0.00 3.44 3.72 0.06 -4.56 117.46 123.71 2xhj n PHE 107 Ca -0.08 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 2xhj n PHE 107 Cb 0.52 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 2xhj n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xhj n GLY 108 N 0.21 -0.43 3.65 1.37 0.00 -1.25 -4.84 105.19 103.90 2xhj n GLY 108 Ca 0.10 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 2xhj n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xhj n ASN 109 N -1.30 1.03 -0.16 1.61 4.13 -1.26 -1.03 115.26 118.29 2xhj n ASN 109 Ca 0.00 0.73 -0.03 0.00 1.68 0.00 0.00 54.58 56.96 2xhj n ASN 109 Cb 0.00 -1.45 0.06 0.00 -1.54 0.00 0.00 39.78 36.84 2xhj n ASN 109 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2xhj h VAL 110 N 0.05 0.85 -3.52 2.41 2.07 -1.13 -3.39 116.25 113.58 2xhj h VAL 110 Ca -0.49 -0.12 -0.63 0.00 0.82 0.00 0.00 66.70 66.28 2xhj h VAL 110 Cb 1.34 0.45 -0.19 0.00 -1.52 0.00 0.00 31.29 31.37 2xhj h VAL 110 CO 0.49 0.07 -0.58 -0.55 0.02 0.00 0.00 177.57 177.01 2xhj s SER 111 N -5.39 5.46 0.34 0.57 0.15 -1.26 -4.96 113.70 108.61 2xhj s SER 111 Ca -0.13 -0.05 0.09 0.00 0.70 0.00 0.00 55.95 56.56 2xhj s SER 111 Cb 0.14 -1.96 -0.06 0.00 -1.71 0.00 0.00 66.02 62.43 2xhj s SER 111 CO 0.73 0.06 0.00 -0.76 1.20 0.00 0.00 173.24 174.47 2xhj s LEU 112 N 1.07 2.96 -0.01 3.45 1.43 -1.26 -4.95 118.68 121.37 2xhj s LEU 112 Ca 0.05 -1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.11 2xhj s LEU 112 Cb -0.14 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 2xhj s LEU 112 CO 0.03 -0.24 0.03 -0.70 0.23 0.00 0.00 176.35 175.70 2xhj s GLU 113 N -3.71 0.14 -0.19 1.70 2.12 -1.26 -1.00 118.70 116.50 2xhj s GLU 113 Ca 0.35 -0.12 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 2xhj s GLU 113 Cb 0.00 0.05 0.08 0.00 0.26 0.00 0.00 34.13 34.53 2xhj s GLU 113 CO 0.19 -0.02 0.42 -1.58 -0.54 0.00 0.00 175.26 173.73 2xhj s HIS 114 N -0.40 -0.73 -1.51 5.30 2.46 0.43 -4.93 115.29 115.92 2xhj s HIS 114 Ca -0.05 1.45 -0.05 0.00 0.47 0.00 0.00 55.06 56.89 2xhj s HIS 114 Cb -0.03 0.30 0.04 0.00 -0.13 0.00 0.00 32.58 32.76 2xhj s HIS 114 CO -0.00 -0.43 0.46 0.72 -2.47 0.00 0.00 174.74 173.01 2xhj n HIS 115 N 4.94 -1.62 -1.29 3.88 8.25 -1.26 -0.56 115.22 127.56 2xhj n HIS 115 Ca -0.14 0.74 -0.10 0.00 -0.26 0.00 0.00 57.72 57.96 2xhj n HIS 115 Cb 0.52 -3.40 -0.04 0.00 1.12 0.00 0.00 29.99 28.19 2xhj n HIS 115 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2xhj n HIS 116 N -4.42 0.00 -3.83 4.41 -0.00 -1.26 -4.97 115.22 105.15 2xhj n HIS 116 Ca -0.21 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.16 2xhj n HIS 116 Cb 0.64 -2.28 -0.09 0.00 -0.00 0.00 0.00 29.99 28.25 2xhj n HIS 116 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2xhj s HIS 117 N -2.09 3.34 -0.16 4.41 3.76 0.27 -5.09 115.29 119.74 2xhj s HIS 117 Ca 0.00 0.21 -0.04 0.00 -0.15 0.00 0.00 55.06 55.08 2xhj s HIS 117 Cb 0.00 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2xhj s HIS 117 CO 0.00 0.21 -0.03 -1.01 -0.85 0.00 0.00 174.74 173.05 2xhj s HIS 118 N 0.45 3.03 0.00 1.40 0.09 -1.26 -0.42 115.29 118.58 2xhj s HIS 118 Ca 0.06 -0.30 0.00 0.00 -0.00 0.00 0.00 55.06 54.82 2xhj s HIS 118 Cb -0.12 -1.97 0.00 0.00 -0.00 0.00 0.00 32.58 30.49 2xhj s HIS 118 CO -0.00 -0.04 0.00 -2.39 -0.00 0.00 0.00 174.74 172.30