#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xax s VAL 4 N 0.00 3.75 0.20 0.44 0.11 -1.25 -0.47 120.40 123.19 1xax s VAL 4 Ca 0.00 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 58.02 1xax s VAL 4 Cb 0.00 -4.68 -0.08 0.00 -1.53 0.00 0.00 36.38 30.09 1xax s VAL 4 CO 0.00 -1.55 1.18 -0.22 -3.33 0.00 0.00 175.10 171.18 1xax s LEU 5 N 7.01 4.47 0.03 2.54 2.96 0.11 -4.86 118.68 130.93 1xax s LEU 5 Ca 0.56 2.24 -0.10 0.00 -0.22 0.00 0.00 54.13 56.61 1xax s LEU 5 Cb -0.02 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.07 1xax s LEU 5 CO -0.04 -0.33 0.21 0.68 -1.32 0.00 0.00 176.35 175.55 1xax s VAL 6 N -0.28 0.10 -0.46 1.68 -7.23 -1.26 0.39 120.40 113.34 1xax s VAL 6 Ca 0.51 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 59.93 1xax s VAL 6 Cb -0.32 -0.84 0.20 0.00 0.56 0.00 0.00 36.38 35.98 1xax s VAL 6 CO 0.38 -0.45 0.45 0.47 -0.31 0.00 0.00 175.10 175.65 1xax n ASP 7 N 0.81 0.56 -4.72 4.85 8.00 0.32 -4.92 116.55 121.44 1xax n ASP 7 Ca -0.19 -2.68 -0.36 0.00 0.71 0.00 0.00 54.79 52.26 1xax n ASP 7 Cb 0.58 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 1xax n ASP 7 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1xax s LEU 8 N -0.76 4.24 0.09 0.64 0.05 -1.23 0.76 118.68 122.47 1xax s LEU 8 Ca 0.33 0.50 -0.11 0.00 0.05 0.00 0.00 54.13 54.90 1xax s LEU 8 Cb 0.08 -2.37 0.01 0.00 -2.05 0.00 0.00 46.19 41.86 1xax s LEU 8 CO -0.15 0.09 0.24 0.00 -0.55 0.00 0.00 176.35 175.98 1xax s GLN 9 N 0.51 0.87 0.19 1.48 -2.07 0.14 -4.77 119.66 116.01 1xax s GLN 9 Ca 0.16 -0.85 0.06 0.00 -1.82 0.00 0.00 55.36 52.91 1xax s GLN 9 Cb -0.13 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1xax s GLN 9 CO 0.04 -0.29 0.10 -1.50 -1.32 0.00 0.00 175.29 172.32 1xax s ILE 10 N -3.66 4.22 0.00 3.63 2.07 -1.26 -0.30 121.20 125.90 1xax s ILE 10 Ca 0.03 -1.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.01 1xax s ILE 10 Cb 0.03 -3.18 0.02 0.00 0.13 0.00 0.00 42.46 39.46 1xax s ILE 10 CO -0.10 -0.16 0.89 0.00 -1.91 0.00 0.00 174.94 173.66 1xax n ALA 11 N -0.46 2.03 -2.26 1.50 0.00 0.17 -4.87 120.51 116.62 1xax n ALA 11 Ca -0.08 -0.82 -0.19 0.00 0.00 0.00 0.00 53.44 52.35 1xax n ALA 11 Cb 0.56 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.62 1xax n ALA 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1xax s THR 12 N 0.00 3.58 -0.14 0.00 -1.32 -1.26 -4.66 115.64 111.84 1xax s THR 12 Ca 0.01 -0.93 0.12 0.00 -1.21 0.00 0.00 61.69 59.68 1xax s THR 12 Cb 0.01 -3.24 -0.17 0.00 -1.51 0.00 0.00 72.50 67.60 1xax s THR 12 CO -0.01 -0.10 0.03 -0.62 -2.21 0.00 0.00 174.62 171.71 1xax n GLU 13 N -1.81 1.62 -3.77 7.08 1.02 -1.26 -4.92 120.64 118.60 1xax n GLU 13 Ca 0.04 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.81 1xax n GLU 13 Cb 0.58 -1.36 -0.13 0.00 -0.02 0.00 0.00 31.44 30.52 1xax n GLU 13 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xax s ASN 14 N -4.79 5.04 0.01 1.62 0.02 -1.26 -5.08 114.94 110.50 1xax s ASN 14 Ca -0.08 -0.59 -0.12 0.00 -1.02 0.00 0.00 52.86 51.06 1xax s ASN 14 Cb 0.04 -1.87 0.01 0.00 0.02 0.00 0.00 41.25 39.45 1xax s ASN 14 CO 0.56 -0.15 0.25 -0.63 0.02 0.00 0.00 177.10 177.16 1xax s ILE 15 N 1.52 0.08 -0.43 0.60 1.09 -1.26 -5.04 121.20 117.75 1xax s ILE 15 Ca 0.04 -0.66 0.03 0.00 -1.10 0.00 0.00 60.65 58.96 1xax s ILE 15 Cb -0.16 -0.71 0.59 0.00 -1.06 0.00 0.00 42.46 41.11 1xax s ILE 15 CO 0.02 -0.36 1.86 -0.62 -0.10 0.00 0.00 174.94 175.74 1xax n GLU 16 N 1.03 2.19 0.00 2.79 1.02 -1.26 -4.74 120.64 121.67 1xax n GLU 16 Ca -0.21 -2.78 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 1xax n GLU 16 Cb 0.57 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xax n GLY 17 N -0.97 0.77 3.52 0.62 0.00 -1.26 -5.11 105.19 102.77 1xax n GLY 17 Ca 0.55 0.08 -0.53 0.00 0.00 0.00 0.00 46.02 46.13 1xax n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xax n LEU 18 N 0.00 0.56 -4.67 0.99 -0.00 -1.26 -4.89 117.00 107.73 1xax n LEU 18 Ca 0.00 1.14 -0.42 0.00 -0.00 0.00 0.00 56.01 56.73 1xax n LEU 18 Cb 0.00 -1.06 -0.03 0.00 -0.00 0.00 0.00 43.42 42.32 1xax n LEU 18 CO 0.00 -1.74 0.75 -2.16 -0.00 0.00 0.00 177.39 174.23 1xax s PRO 19 N -0.21 4.34 -0.15 1.47 0.04 -1.26 -5.04 135.00 134.20 1xax s PRO 19 Ca 0.80 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 1xax s PRO 19 Cb -1.03 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 29.89 1xax s PRO 19 CO 0.54 -0.39 0.42 0.95 0.04 0.00 0.00 177.00 178.56 1xax s THR 20 N 2.32 5.22 0.15 1.26 -4.23 -1.26 -4.86 115.64 114.23 1xax s THR 20 Ca 0.43 0.80 -0.17 0.00 -1.18 0.00 0.00 61.69 61.58 1xax s THR 20 Cb -0.17 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 1xax s THR 20 CO 0.13 0.32 1.80 1.05 -0.54 0.00 0.00 174.62 177.38 1xax h GLU 21 N 6.87 0.42 -0.38 3.99 4.11 -1.96 -1.75 114.58 125.88 1xax h GLU 21 Ca -0.40 -0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.08 1xax h GLU 21 Cb 1.17 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 1xax h GLU 21 CO 0.75 0.28 -0.33 0.93 0.07 0.00 0.00 179.01 180.71 1xax h GLU 22 N 0.43 -0.25 0.27 1.06 5.08 -1.97 1.12 114.58 120.33 1xax h GLU 22 Ca 0.13 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1xax h GLU 22 Cb -0.02 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xax h GLU 22 CO -0.05 -0.17 -0.13 1.96 -1.00 0.00 0.00 179.01 179.62 1xax h GLN 23 N -0.26 -0.35 0.00 2.33 1.08 -1.94 0.11 115.11 116.08 1xax h GLN 23 Ca 0.17 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.41 1xax h GLN 23 Cb 0.54 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 1xax h GLN 23 CO -0.53 -0.24 -0.39 0.82 -0.95 0.00 0.00 178.83 177.55 1xax h ILE 24 N -0.37 0.00 -0.11 2.54 2.04 -1.17 0.92 117.51 121.35 1xax h ILE 24 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1xax h ILE 24 Cb 0.28 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 1xax h ILE 24 CO 0.06 0.00 -0.53 0.58 0.00 0.00 0.00 178.15 178.26 1xax h VAL 25 N -0.49 0.02 0.06 1.67 2.07 0.12 0.18 116.25 119.88 1xax h VAL 25 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1xax h VAL 25 Cb 0.52 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1xax h VAL 25 CO -0.26 0.00 -0.13 -0.61 0.02 0.00 0.00 177.57 176.60 1xax h GLN 26 N -0.59 -0.23 0.11 1.57 4.15 -0.59 1.34 115.11 120.86 1xax h GLN 26 Ca 0.03 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.48 1xax h GLN 26 Cb 0.69 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 1xax h GLN 26 CO -0.42 -0.16 -0.43 2.35 -1.93 0.00 0.00 178.83 178.24 1xax h TRP 27 N -0.24 -1.24 0.00 3.99 2.91 0.13 0.17 115.95 121.66 1xax h TRP 27 Ca 0.03 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1xax h TRP 27 Cb 0.27 0.53 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 1xax h TRP 27 CO -0.16 -0.49 0.00 0.00 -1.03 0.00 0.00 178.44 176.76 1xax n ALA 28 N -2.83 0.00 0.32 2.65 0.00 0.60 -3.02 120.51 118.22 1xax n ALA 28 Ca -0.07 -0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.56 1xax n ALA 28 Cb 0.34 0.00 1.04 0.00 0.00 0.00 0.00 19.45 20.83 1xax n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xax h THR 29 N 0.00 0.00 0.06 0.00 1.35 -0.33 -0.92 112.91 113.08 1xax h THR 29 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.60 1xax h THR 29 Cb 0.00 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 1xax h THR 29 CO 0.00 0.00 -1.31 1.23 -0.25 0.00 0.00 175.52 175.19 1xax h GLY 30 N 0.00 0.16 0.71 5.82 0.00 0.44 -3.17 103.07 107.03 1xax h GLY 30 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1xax h GLY 30 CO 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 176.54 176.77 1xax n ALA 31 N -2.51 2.78 -0.12 3.60 0.00 -0.40 -2.92 120.51 120.94 1xax n ALA 31 Ca -0.09 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 1xax n ALA 31 Cb 1.00 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.04 1xax n ALA 31 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1xax n VAL 32 N -0.82 1.54 -2.26 0.00 3.14 -0.90 -4.66 118.33 114.36 1xax n VAL 32 Ca 0.15 -0.24 -0.24 0.00 -2.96 0.00 0.00 64.34 61.05 1xax n VAL 32 Cb 0.28 -1.93 0.01 0.00 -1.06 0.00 0.00 33.84 31.14 1xax n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xax n GLN 33 N -4.26 3.41 0.13 1.45 1.13 -1.20 -4.81 117.38 113.23 1xax n GLN 33 Ca -0.43 -4.27 -0.13 0.00 -1.94 0.00 0.00 57.00 50.23 1xax n GLN 33 Cb 0.80 -2.22 -0.06 0.00 0.11 0.00 0.00 30.24 28.88 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1xax h PRO 34 N 2.39 -0.46 -0.11 -1.09 0.13 -1.78 -3.13 132.00 127.95 1xax h PRO 34 Ca 0.31 0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.41 1xax h PRO 34 Cb 1.25 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 1xax h PRO 34 CO 0.77 -0.31 -0.39 0.39 -0.23 0.00 0.00 178.00 178.24 1xax n GLU 35 N -5.37 1.69 0.00 0.86 1.02 -1.26 -4.92 120.64 112.66 1xax n GLU 35 Ca -0.07 -3.29 0.00 0.00 -0.02 0.00 0.00 57.16 53.77 1xax n GLU 35 Cb 0.28 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1xax n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xax n GLY 36 N -1.12 2.20 3.48 0.62 0.00 -1.18 -5.06 105.19 104.13 1xax n GLY 36 Ca 0.24 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 1xax n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xax n ASN 37 N 0.00 0.36 -4.90 1.61 4.13 -1.26 -3.82 115.26 111.38 1xax n ASN 37 Ca 0.00 -1.57 -0.32 0.00 1.68 0.00 0.00 54.58 54.37 1xax n ASN 37 Cb 0.00 -0.84 -0.05 0.00 -1.54 0.00 0.00 39.78 37.36 1xax n ASN 37 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1xax s GLU 38 N -5.43 3.53 0.26 3.52 2.12 -1.26 -0.26 118.70 121.18 1xax s GLU 38 Ca 0.66 -0.23 -0.07 0.00 0.36 0.00 0.00 54.97 55.69 1xax s GLU 38 Cb -0.02 -2.98 0.03 0.00 0.26 0.00 0.00 34.13 31.41 1xax s GLU 38 CO 0.46 0.57 0.47 1.33 -0.54 0.00 0.00 175.26 177.55 1xax n VAL 39 N 0.43 0.00 -3.51 3.70 0.24 0.38 -4.79 118.33 114.78 1xax n VAL 39 Ca -0.06 -0.90 -0.17 0.00 -2.04 0.00 0.00 64.34 61.18 1xax n VAL 39 Cb 0.52 0.71 -0.13 0.00 -1.47 0.00 0.00 33.84 33.48 1xax n VAL 39 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1xax s GLU 40 N -2.25 0.19 -0.21 7.34 -1.05 -1.22 0.06 118.70 121.55 1xax s GLU 40 Ca 0.15 0.30 0.00 0.00 -0.15 0.00 0.00 54.97 55.27 1xax s GLU 40 Cb -0.02 -0.99 0.05 0.00 -0.44 0.00 0.00 34.13 32.73 1xax s GLU 40 CO 0.11 -0.60 -0.05 -1.64 0.95 0.00 0.00 175.26 174.02 1xax s MET 41 N 2.35 1.56 0.16 -4.83 1.00 0.16 -1.09 119.30 118.62 1xax s MET 41 Ca 0.07 -0.83 -0.03 0.00 0.00 0.00 0.00 55.69 54.89 1xax s MET 41 Cb -0.15 -2.41 -0.05 0.00 0.00 0.00 0.00 34.83 32.21 1xax s MET 41 CO -0.12 -0.55 0.37 0.99 0.00 0.00 0.00 175.02 175.72 1xax s THR 42 N 1.48 5.19 -0.16 2.05 2.01 0.47 -0.52 115.64 126.15 1xax s THR 42 Ca -0.04 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 1xax s THR 42 Cb -0.18 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.72 1xax s THR 42 CO -0.07 -0.03 0.44 -0.69 -0.69 0.00 0.00 174.62 173.58 1xax s VAL 43 N -1.72 -0.00 -0.06 3.82 1.01 0.23 -0.01 120.40 123.66 1xax s VAL 43 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 1xax s VAL 43 Cb -0.12 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.69 1xax s VAL 43 CO 0.26 0.00 0.12 -0.60 0.00 0.00 0.00 175.10 174.89 1xax s ARG 44 N 0.29 0.03 -0.04 2.72 3.00 0.16 -0.68 118.95 124.43 1xax s ARG 44 Ca -0.00 0.39 0.07 0.00 -1.00 0.00 0.00 55.73 55.19 1xax s ARG 44 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 34.95 34.65 1xax s ARG 44 CO -0.00 -0.22 -0.25 0.96 0.00 0.00 0.00 175.30 175.78 1xax s ILE 45 N 1.57 2.05 -0.02 4.11 -4.36 0.58 -0.46 121.20 124.67 1xax s ILE 45 Ca -0.04 -1.08 -0.30 0.00 -0.26 0.00 0.00 60.65 58.97 1xax s ILE 45 Cb -0.12 -1.72 0.11 0.00 1.25 0.00 0.00 42.46 41.98 1xax s ILE 45 CO -0.05 0.57 1.03 0.54 0.24 0.00 0.00 174.94 177.27 1xax s VAL 46 N -0.34 0.00 0.98 8.37 0.11 -1.05 0.41 120.40 128.89 1xax s VAL 46 Ca 0.02 -0.15 -0.15 0.00 -2.93 0.00 0.00 61.98 58.76 1xax s VAL 46 Cb -0.12 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 1xax s VAL 46 CO 0.02 0.00 -0.14 -0.67 -3.33 0.00 0.00 175.10 170.98 1xax n ASP 47 N -0.28 -3.52 0.18 3.54 -0.08 -1.26 -3.81 116.55 111.32 1xax n ASP 47 Ca -0.06 0.23 -0.08 0.00 -1.51 0.00 0.00 54.79 53.36 1xax n ASP 47 Cb 0.61 -1.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.03 1xax n ASP 47 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1xax h GLU 48 N -1.38 -0.50 -0.25 -0.67 5.08 -1.97 -1.44 114.58 113.44 1xax h GLU 48 Ca -0.44 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1xax h GLU 48 Cb 1.30 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.59 1xax h GLU 48 CO 0.30 -0.33 -0.35 0.00 -1.00 0.00 0.00 179.01 177.63 1xax h ALA 49 N -1.57 -0.34 -0.11 3.43 0.00 -1.97 0.28 119.26 118.96 1xax h ALA 49 Ca -0.05 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xax h ALA 49 Cb 0.42 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1xax h ALA 49 CO 0.04 -0.80 -0.41 0.93 0.00 0.00 0.00 179.25 179.02 1xax h GLU 50 N -0.35 -0.41 -0.08 0.00 4.39 -1.91 0.36 114.58 116.57 1xax h GLU 50 Ca 0.12 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.89 1xax h GLU 50 Cb 0.56 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.25 1xax h GLU 50 CO -0.44 -0.27 -0.24 1.03 -1.16 0.00 0.00 179.01 177.93 1xax h SER 51 N -0.43 -0.72 -0.23 1.42 0.87 -1.04 0.70 113.55 114.12 1xax h SER 51 Ca 0.03 0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1xax h SER 51 Cb 0.50 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1xax h SER 51 CO -0.33 -0.29 0.25 0.45 -0.53 0.00 0.00 176.83 176.37 1xax h HIS 52 N -0.33 0.00 0.07 2.24 3.86 -0.57 0.39 115.15 120.81 1xax h HIS 52 Ca 0.09 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.01 1xax h HIS 52 Cb 0.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1xax h HIS 52 CO -0.31 0.00 -1.49 1.49 0.86 0.00 0.00 177.93 178.48 1xax h GLU 53 N 0.00 0.14 0.74 2.45 4.57 0.20 -2.99 114.58 119.69 1xax h GLU 53 Ca 0.11 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1xax h GLU 53 Cb 0.61 0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1xax h GLU 53 CO -0.00 0.95 -0.36 1.25 -1.18 0.00 0.00 179.01 179.68 1xax h LEU 54 N 0.04 -0.84 -0.27 1.64 7.12 0.43 0.30 115.31 123.73 1xax h LEU 54 Ca -0.21 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1xax h LEU 54 Cb 1.97 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 42.30 1xax h LEU 54 CO 0.13 -0.49 0.18 -0.55 -0.13 0.00 0.00 178.44 177.58 1xax h ASN 55 N -1.19 0.30 -0.27 1.25 -1.07 -1.03 -2.84 115.58 110.73 1xax h ASN 55 Ca -0.10 -0.01 -0.03 0.00 0.07 0.00 0.00 56.30 56.23 1xax h ASN 55 Cb 0.78 -0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 36.95 1xax h ASN 55 CO 0.17 0.22 0.06 -0.07 0.07 0.00 0.00 177.43 177.87 1xax h LEU 56 N 0.36 0.42 -2.78 6.14 4.07 -1.56 0.36 115.31 122.32 1xax h LEU 56 Ca 0.10 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1xax h LEU 56 Cb -0.04 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 1xax h LEU 56 CO -0.03 0.56 0.06 0.00 -1.08 0.00 0.00 178.44 177.95 1xax h THR 57 N 0.27 0.06 0.00 0.22 1.03 -0.28 -1.37 112.91 112.84 1xax h THR 57 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.48 1xax h THR 57 Cb 0.31 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1xax h THR 57 CO 0.00 0.00 -1.19 0.00 -0.01 0.00 0.00 175.52 174.32 1xax n TYR 58 N -3.14 0.00 0.00 0.00 4.11 -1.07 -4.91 117.16 112.15 1xax n TYR 58 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 1xax n TYR 58 Cb 0.13 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1xax n TYR 58 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1xax n ARG 59 N -1.66 0.00 -0.79 -3.48 -4.01 0.12 -5.09 116.66 101.74 1xax n ARG 59 Ca -0.01 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 1xax n ARG 59 Cb 0.16 -0.34 0.00 0.00 -3.04 0.00 0.00 32.46 29.24 1xax n ARG 59 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1xax n GLY 60 N 0.27 0.62 0.00 2.89 0.00 -0.54 -4.93 105.19 103.50 1xax n GLY 60 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1xax n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xax n LYS 61 N -0.68 0.96 0.00 1.61 4.81 -1.26 -4.89 118.16 118.71 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xax n LYS 61 Cb 0.26 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.31 1xax n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1xax n ASP 62 N -1.71 -0.93 -1.38 3.14 9.92 -1.26 -4.83 116.55 119.50 1xax n ASP 62 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xax n ASP 62 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xax n ASP 62 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1xax n ARG 63 N -0.93 2.32 -1.42 -1.24 3.00 -1.26 -4.91 116.66 112.22 1xax n ARG 63 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 1xax n ARG 63 Cb 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 32.46 32.26 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1xax n PRO 64 N -0.21 0.00 -0.35 -0.14 -0.02 -1.26 -4.83 135.00 128.20 1xax n PRO 64 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xax n PRO 64 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1xax n PRO 64 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1xax n THR 65 N 5.26 0.00 0.02 3.45 5.66 -1.26 -5.10 114.28 122.31 1xax n THR 65 Ca 0.60 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.60 1xax n THR 65 Cb 0.17 -0.85 0.00 0.00 -1.55 0.00 0.00 70.33 68.10 1xax n THR 65 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1xax n ASN 66 N -0.81 0.02 -3.10 1.09 5.15 -1.26 -4.93 115.26 111.42 1xax n ASN 66 Ca 0.00 0.06 -0.29 0.00 -0.60 0.00 0.00 54.58 53.76 1xax n ASN 66 Cb 0.00 0.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.24 1xax n ASN 66 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1xax n VAL 67 N -2.76 3.28 -2.64 3.44 0.24 -1.26 -3.49 118.33 115.13 1xax n VAL 67 Ca 0.00 -5.57 -0.43 0.00 -2.04 0.00 0.00 64.34 56.30 1xax n VAL 67 Cb 0.11 -1.54 -0.02 0.00 -1.47 0.00 0.00 33.84 30.92 1xax n VAL 67 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xax s LEU 68 N -3.38 3.76 0.28 1.34 2.96 -0.82 -4.80 118.68 118.02 1xax s LEU 68 Ca 0.46 0.58 0.09 0.00 -0.22 0.00 0.00 54.13 55.04 1xax s LEU 68 Cb 0.25 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 1xax s LEU 68 CO -0.11 -1.13 0.06 -0.44 -1.32 0.00 0.00 176.35 173.41 1xax s SER 69 N 2.22 4.70 -0.84 3.68 0.01 -1.26 -0.17 113.70 122.05 1xax s SER 69 Ca 0.46 -0.62 -0.05 0.00 1.31 0.00 0.00 55.95 57.04 1xax s SER 69 Cb -0.09 -0.89 0.21 0.00 0.21 0.00 0.00 66.02 65.46 1xax s SER 69 CO 0.27 -0.07 0.73 -0.36 0.41 0.00 0.00 173.24 174.22 1xax s PHE 70 N -2.32 3.79 0.66 2.43 0.08 0.24 -4.85 117.98 118.00 1xax s PHE 70 Ca 0.33 -2.72 -0.11 0.00 0.12 0.00 0.00 56.93 54.54 1xax s PHE 70 Cb -0.06 -3.41 -0.02 0.00 -0.57 0.00 0.00 43.02 38.97 1xax s PHE 70 CO 0.21 -0.84 1.05 -1.25 -0.10 0.00 0.00 175.22 174.29 1xax s PRO 71 N -0.73 3.26 0.04 0.24 0.04 -1.26 -0.60 135.00 135.99 1xax s PRO 71 Ca 0.23 0.88 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 1xax s PRO 71 Cb -0.12 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1xax s PRO 71 CO -0.09 -0.84 0.43 -0.59 0.04 0.00 0.00 177.00 175.95 1xax s PHE 72 N -3.07 3.69 -0.44 0.56 -0.12 -1.26 -4.90 117.98 112.44 1xax s PHE 72 Ca 0.57 0.97 -0.40 0.00 -0.05 0.00 0.00 56.93 58.02 1xax s PHE 72 Cb -0.13 -2.28 -0.15 0.00 -0.63 0.00 0.00 43.02 39.83 1xax s PHE 72 CO 0.53 0.59 2.18 -1.91 -0.05 0.00 0.00 175.22 176.56 1xax n GLU 73 N 1.49 0.50 -2.97 1.99 2.13 -1.26 -4.85 120.64 117.67 1xax n GLU 73 Ca -0.11 0.13 -0.27 0.00 0.66 0.00 0.00 57.16 57.57 1xax n GLU 73 Cb 0.52 -1.95 -0.04 0.00 0.27 0.00 0.00 31.44 30.24 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xax h PRO 75 N 3.02 0.00 -0.78 0.00 0.13 -2.05 -3.28 132.00 129.05 1xax h PRO 75 Ca 0.13 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.72 1xax h PRO 75 Cb 0.53 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.23 1xax h PRO 75 CO 0.81 0.90 -0.82 -0.25 -0.23 0.00 0.00 178.00 178.41 1xax n ASP 76 N -3.44 4.85 -0.29 1.44 9.92 -1.26 -5.06 116.55 122.71 1xax n ASP 76 Ca -0.00 -3.71 -0.03 0.00 -0.53 0.00 0.00 54.79 50.51 1xax n ASP 76 Cb 0.86 -0.35 -0.01 0.00 -0.64 0.00 0.00 41.12 40.99 1xax n ASP 76 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1xax n GLU 77 N -0.70 0.00 -1.43 -1.24 0.28 -1.24 -4.89 120.64 111.43 1xax n GLU 77 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1xax n GLU 77 Cb 0.95 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.72 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1xax n VAL 78 N 0.47 0.00 -3.65 3.84 0.24 -1.26 -4.81 118.33 113.16 1xax n VAL 78 Ca 0.04 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.96 1xax n VAL 78 Cb -0.00 -0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 31.79 1xax n VAL 78 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xax s GLU 79 N -1.79 2.70 0.08 7.34 2.02 -1.26 -4.71 118.70 123.08 1xax s GLU 79 Ca 0.00 -2.45 0.03 0.00 0.02 0.00 0.00 54.97 52.57 1xax s GLU 79 Cb 0.00 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.35 1xax s GLU 79 CO 0.00 -1.19 -0.08 -0.51 0.02 0.00 0.00 175.26 173.50 1xax s LEU 80 N 0.10 2.41 -0.78 1.80 2.01 -1.26 -5.02 118.68 117.95 1xax s LEU 80 Ca 0.16 -0.83 -0.26 0.00 0.01 0.00 0.00 54.13 53.22 1xax s LEU 80 Cb -0.19 -0.18 0.00 0.00 0.01 0.00 0.00 46.19 45.83 1xax s LEU 80 CO -0.04 -0.33 1.64 -2.16 1.01 0.00 0.00 176.35 176.47 1xax s PRO 81 N -2.92 2.93 -0.09 1.29 0.04 -1.26 -4.84 135.00 130.16 1xax s PRO 81 Ca 0.04 -0.10 -0.30 0.00 0.04 0.00 0.00 61.00 60.68 1xax s PRO 81 Cb -0.01 -4.63 0.11 0.00 0.04 0.00 0.00 34.50 30.01 1xax s PRO 81 CO -0.02 -2.61 0.91 -0.48 0.04 0.00 0.00 177.00 174.84 1xax s LEU 82 N 7.65 -0.41 0.00 -3.56 0.05 -1.26 -4.51 118.68 116.64 1xax s LEU 82 Ca 0.55 0.30 0.00 0.00 0.05 0.00 0.00 54.13 55.03 1xax s LEU 82 Cb -0.08 2.02 0.00 0.00 -2.05 0.00 0.00 46.19 46.08 1xax s LEU 82 CO 0.10 -0.48 0.00 0.18 -0.55 0.00 0.00 176.35 175.59 1xax n LEU 83 N 0.40 0.00 0.00 1.48 4.32 -0.25 -4.85 117.00 118.11 1xax n LEU 83 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1xax n LEU 83 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1xax n LEU 83 CO 0.15 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.93 1xax n GLY 84 N 1.84 -2.07 3.60 -0.72 0.00 -1.10 -4.94 105.19 101.80 1xax n GLY 84 Ca 0.00 -2.06 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 1xax n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xax s ASP 85 N -3.43 4.46 0.10 1.61 1.11 0.23 -0.40 116.67 120.36 1xax s ASP 85 Ca 0.00 -0.45 0.04 0.00 0.18 0.00 0.00 52.55 52.32 1xax s ASP 85 Cb 0.00 -0.85 -0.04 0.00 1.07 0.00 0.00 42.92 43.10 1xax s ASP 85 CO 0.00 0.13 -0.11 -0.22 1.18 0.00 0.00 175.17 176.16 1xax s LEU 86 N -2.59 2.41 -0.27 1.23 2.96 0.98 0.82 118.68 124.21 1xax s LEU 86 Ca 0.24 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1xax s LEU 86 Cb -0.10 -0.34 0.13 0.00 0.50 0.00 0.00 46.19 46.39 1xax s LEU 86 CO 0.16 -0.25 0.31 -0.69 -1.32 0.00 0.00 176.35 174.56 1xax s VAL 87 N -2.42 -0.46 0.18 1.68 1.01 0.76 0.36 120.40 121.52 1xax s VAL 87 Ca 0.06 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1xax s VAL 87 Cb -0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1xax s VAL 87 CO 0.00 -0.35 -0.18 -0.63 0.00 0.00 0.00 175.10 173.94 1xax s ILE 88 N 2.41 2.73 0.18 2.22 1.09 0.40 -1.95 121.20 128.28 1xax s ILE 88 Ca 0.10 -1.83 -0.30 0.00 -1.10 0.00 0.00 60.65 57.52 1xax s ILE 88 Cb -0.14 -2.32 -0.07 0.00 -1.06 0.00 0.00 42.46 38.86 1xax s ILE 88 CO -0.27 -0.09 0.96 0.00 -0.10 0.00 0.00 174.94 175.44 1xax n ARG 90 N 2.13 0.77 0.01 0.00 -4.01 -1.25 -3.75 116.66 110.57 1xax n ARG 90 Ca 0.00 -0.24 -0.22 0.00 -1.04 0.00 0.00 57.85 56.35 1xax n ARG 90 Cb 0.48 -1.49 -0.14 0.00 -3.04 0.00 0.00 32.46 28.26 1xax n ARG 90 CO 0.00 0.00 0.00 -0.56 -3.04 0.00 0.00 177.63 174.03 1xax h GLN 91 N 0.59 0.27 0.24 2.89 3.07 -1.92 -3.18 115.11 117.07 1xax h GLN 91 Ca 0.00 -0.46 -0.01 0.00 0.09 0.00 0.00 58.65 58.27 1xax h GLN 91 Cb 0.32 0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.06 1xax h GLN 91 CO 0.00 1.22 -0.11 -0.39 0.09 0.00 0.00 178.83 179.64 1xax h VAL 92 N -0.13 0.69 -0.22 1.86 -1.51 -1.99 -2.40 116.25 112.55 1xax h VAL 92 Ca -0.36 -0.92 -0.02 0.00 -1.23 0.00 0.00 66.70 64.17 1xax h VAL 92 Cb 1.91 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 1xax h VAL 92 CO 0.07 0.16 0.07 -0.37 -1.23 0.00 0.00 177.57 176.27 1xax h VAL 93 N -0.88 1.19 -0.61 7.19 -1.51 -1.79 0.14 116.25 119.99 1xax h VAL 93 Ca -0.03 -0.61 0.10 0.00 -1.23 0.00 0.00 66.70 64.93 1xax h VAL 93 Cb 0.51 1.18 -0.04 0.00 -2.13 0.00 0.00 31.29 30.81 1xax h VAL 93 CO 0.05 0.20 0.41 -0.08 -1.23 0.00 0.00 177.57 176.92 1xax h GLU 94 N 0.19 0.39 -0.08 5.19 4.22 -1.67 0.36 114.58 123.18 1xax h GLU 94 Ca 0.07 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.37 1xax h GLU 94 Cb 0.24 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xax h GLU 94 CO -0.00 0.26 -0.41 -0.09 -2.18 0.00 0.00 179.01 176.59 1xax h ARG 95 N 0.40 0.42 -0.72 1.92 9.65 -0.88 0.23 114.38 125.41 1xax h ARG 95 Ca 0.29 -0.34 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1xax h ARG 95 Cb 0.58 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.19 1xax h ARG 95 CO -0.08 0.98 0.47 1.49 2.80 0.00 0.00 179.97 185.63 1xax h GLU 96 N -0.03 0.92 -0.18 0.20 4.81 0.80 0.28 114.58 121.38 1xax h GLU 96 Ca -0.03 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 1xax h GLU 96 Cb 1.06 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1xax h GLU 96 CO 0.08 0.61 -0.40 0.00 -0.73 0.00 0.00 179.01 178.58 1xax h ALA 97 N 1.27 0.29 -0.25 2.92 0.00 -0.36 0.33 119.26 123.46 1xax h ALA 97 Ca 0.27 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1xax h ALA 97 Cb -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xax h ALA 97 CO -0.07 0.39 0.10 1.03 0.00 0.00 0.00 179.25 180.70 1xax h SER 98 N 0.24 0.31 0.57 0.00 0.87 -0.17 0.85 113.55 116.23 1xax h SER 98 Ca 0.00 -0.02 -0.28 0.00 -1.23 0.00 0.00 61.79 60.25 1xax h SER 98 Cb 1.01 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1xax h SER 98 CO 0.09 0.29 -1.48 -0.08 -0.53 0.00 0.00 176.83 175.12 1xax h GLU 99 N 0.35 0.12 0.00 2.24 4.81 -0.34 -3.30 114.58 118.46 1xax h GLU 99 Ca 0.09 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1xax h GLU 99 Cb 0.08 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1xax h GLU 99 CO -0.01 0.92 -0.09 1.96 -0.73 0.00 0.00 179.01 181.06 1xax h GLN 100 N 0.03 0.00 -5.07 1.92 1.08 0.28 -3.47 115.11 109.88 1xax h GLN 100 Ca -0.21 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.69 1xax h GLN 100 Cb 1.96 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 29.52 1xax h GLN 100 CO 0.13 0.09 -0.62 0.39 -0.95 0.00 0.00 178.83 177.87 1xax n GLU 101 N -3.19 -5.95 -4.16 1.46 1.02 0.24 -5.03 120.64 105.03 1xax n GLU 101 Ca 0.01 0.71 -0.14 0.00 -0.02 0.00 0.00 57.16 57.72 1xax n GLU 101 Cb 0.40 -5.33 -0.11 0.00 -0.02 0.00 0.00 31.44 26.38 1xax n GLU 101 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1xax s LYS 102 N -5.47 0.79 0.14 3.49 -2.85 -1.20 -5.09 119.74 109.55 1xax s LYS 102 Ca 0.17 -1.11 -0.33 0.00 -1.00 0.00 0.00 55.97 53.70 1xax s LYS 102 Cb -0.07 -0.47 -0.13 0.00 -2.06 0.00 0.00 37.83 35.10 1xax s LYS 102 CO 0.61 0.07 1.67 -0.35 0.10 0.00 0.00 175.35 177.45 1xax n PRO 103 N 0.66 2.35 0.33 1.78 -0.04 -1.26 -4.80 135.00 134.01 1xax n PRO 103 Ca -0.17 0.85 0.21 0.00 -0.04 0.00 0.00 63.50 64.35 1xax n PRO 103 Cb 0.57 -2.66 1.14 0.00 -0.04 0.00 0.00 33.50 32.52 1xax n PRO 103 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1xax h LEU 104 N 6.75 0.00 -0.57 1.53 3.38 -1.99 -2.70 115.31 121.71 1xax h LEU 104 Ca -0.45 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.63 1xax h LEU 104 Cb 1.24 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 1xax h LEU 104 CO 0.91 0.00 -0.01 0.24 0.09 0.00 0.00 178.44 179.68 1xax h MET 105 N 0.00 0.11 -0.09 1.13 2.86 -2.00 0.56 114.93 117.49 1xax h MET 105 Ca 0.00 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 1xax h MET 105 Cb 0.08 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.73 1xax h MET 105 CO -0.00 0.07 -0.81 0.00 1.06 0.00 0.00 176.91 177.23 1xax h ALA 106 N 1.52 0.39 -0.82 6.32 0.00 -1.87 -3.11 119.26 121.69 1xax h ALA 106 Ca 0.29 -0.63 0.06 0.00 0.00 0.00 0.00 54.91 54.64 1xax h ALA 106 Cb 0.46 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1xax h ALA 106 CO -0.49 0.73 0.50 1.25 0.00 0.00 0.00 179.25 181.24 1xax h HIS 107 N 0.40 0.92 0.53 0.00 6.17 -1.30 0.13 115.15 122.01 1xax h HIS 107 Ca -0.06 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.02 1xax h HIS 107 Cb 1.42 -0.30 0.01 0.00 2.52 0.00 0.00 27.41 31.06 1xax h HIS 107 CO 0.07 0.46 -0.25 -1.49 0.71 0.00 0.00 177.93 177.43 1xax h TRP 108 N 0.91 -0.66 -0.88 5.26 6.55 -0.96 1.35 115.95 127.53 1xax h TRP 108 Ca 0.36 -0.02 0.12 0.00 0.95 0.00 0.00 58.89 60.31 1xax h TRP 108 Cb 0.17 0.22 -0.09 0.00 -0.86 0.00 0.00 29.16 28.61 1xax h TRP 108 CO -0.04 -0.35 0.50 0.00 -1.05 0.00 0.00 178.44 177.50 1xax h ALA 109 N -0.46 1.31 -0.07 1.49 0.00 -1.42 0.12 119.26 120.22 1xax h ALA 109 Ca -0.07 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1xax h ALA 109 Cb 0.60 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xax h ALA 109 CO 0.12 0.04 -0.71 1.25 0.00 0.00 0.00 179.25 179.95 1xax h HIS 110 N 0.76 0.85 -0.06 0.00 -0.00 -0.60 -3.09 115.15 113.02 1xax h HIS 110 Ca 0.45 -0.41 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1xax h HIS 110 Cb 0.53 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.78 1xax h HIS 110 CO -0.06 1.23 -0.16 1.98 -0.00 0.00 0.00 177.93 180.92 1xax h MET 111 N 0.24 -0.23 -0.11 5.26 -1.53 0.28 0.26 114.93 119.10 1xax h MET 111 Ca -0.07 0.02 0.04 0.00 -3.44 0.00 0.00 59.70 56.24 1xax h MET 111 Cb 1.37 0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 32.43 1xax h MET 111 CO 0.14 -0.15 -0.12 -0.39 0.14 0.00 0.00 176.91 176.53 1xax h VAL 112 N -0.24 0.66 -0.60 -5.77 -1.51 -0.89 0.20 116.25 108.10 1xax h VAL 112 Ca 0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.53 1xax h VAL 112 Cb 0.34 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 30.13 1xax h VAL 112 CO -0.20 0.00 0.33 0.58 -1.23 0.00 0.00 177.57 177.05 1xax h VAL 113 N -0.15 1.20 -0.53 7.19 2.07 -1.41 0.14 116.25 124.76 1xax h VAL 113 Ca 0.08 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1xax h VAL 113 Cb 0.27 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1xax h VAL 113 CO -0.20 0.21 0.22 -0.74 0.02 0.00 0.00 177.57 177.08 1xax h HIS 114 N 0.82 0.80 0.00 1.57 -0.00 -0.06 0.04 115.15 118.31 1xax h HIS 114 Ca 0.21 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1xax h HIS 114 Cb 0.05 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1xax h HIS 114 CO -0.01 0.65 0.00 0.78 -0.00 0.00 0.00 177.93 179.35 1xax h GLY 115 N 0.71 0.00 0.00 5.26 0.00 -0.38 -3.07 103.07 105.59 1xax h GLY 115 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 1xax h GLY 115 CO -0.02 0.00 -0.88 1.48 0.00 0.00 0.00 176.54 177.13 1xax h SER 116 N 0.00 0.00 0.32 0.19 4.64 -0.40 -3.26 113.55 115.04 1xax h SER 116 Ca 0.00 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1xax h SER 116 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1xax h SER 116 CO 0.00 1.18 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.80 1xax h LEU 117 N -1.00 -0.70 -2.47 5.97 -0.00 -1.13 -2.11 115.31 113.87 1xax h LEU 117 Ca -0.20 0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.74 1xax h LEU 117 Cb 0.97 0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1xax h LEU 117 CO -0.12 -0.40 -0.01 0.45 -0.00 0.00 0.00 178.44 178.37 1xax h HIS 118 N -0.60 0.00 0.25 1.13 3.86 -1.73 -2.23 115.15 115.83 1xax h HIS 118 Ca -0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1xax h HIS 118 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1xax h HIS 118 CO -0.15 0.01 -0.12 1.25 0.86 0.00 0.00 177.93 179.78 1xax h LEU 119 N 0.00 -0.28 0.00 2.43 7.12 -1.43 -3.45 115.31 119.70 1xax h LEU 119 Ca -0.00 0.01 -0.14 0.00 0.13 0.00 0.00 57.88 57.88 1xax h LEU 119 Cb 0.17 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 1xax h LEU 119 CO 0.00 0.11 -1.47 0.00 -0.13 0.00 0.00 178.44 176.95 1xax n LEU 120 N -4.62 0.62 0.00 2.25 -0.00 -1.02 -5.07 117.00 109.16 1xax n LEU 120 Ca -0.04 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1xax n LEU 120 Cb 0.13 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1xax n LEU 120 CO 0.10 0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.28 1xax n GLY 121 N 2.48 0.63 0.42 1.47 0.00 -0.84 -4.97 105.19 104.38 1xax n GLY 121 Ca -0.17 -0.70 0.18 0.00 0.00 0.00 0.00 46.02 45.33 1xax n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xax h TYR 122 N 0.00 0.00 -0.07 1.61 -1.99 -1.82 -2.05 116.97 112.65 1xax h TYR 122 Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1xax h TYR 122 Cb 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 1xax h TYR 122 CO 0.00 0.00 -0.03 -0.25 -0.00 0.00 0.00 178.16 177.88 1xax n ASP 123 N -3.11 5.46 0.12 3.88 9.92 -1.26 -4.42 116.55 127.15 1xax n ASP 123 Ca 0.10 -2.51 -0.11 0.00 -0.53 0.00 0.00 54.79 51.75 1xax n ASP 123 Cb 1.04 -1.18 -0.07 0.00 -0.64 0.00 0.00 41.12 40.27 1xax n ASP 123 CO 0.00 0.00 0.00 1.12 0.13 0.00 0.00 177.20 178.45 1xax h HIS 124 N 1.48 -0.33 -3.28 1.24 2.07 -1.77 -3.44 115.15 111.13 1xax h HIS 124 Ca 0.07 -0.01 -0.61 0.00 -2.85 0.00 0.00 60.37 56.97 1xax h HIS 124 Cb 1.08 0.11 -0.16 0.00 2.57 0.00 0.00 27.41 31.02 1xax h HIS 124 CO 0.62 0.03 -0.56 0.96 -3.07 0.00 0.00 177.93 175.91 1xax s ILE 125 N -3.80 4.85 -1.93 6.12 -4.36 -1.26 -4.98 121.20 115.83 1xax s ILE 125 Ca -0.12 -0.01 0.08 0.00 -0.26 0.00 0.00 60.65 60.34 1xax s ILE 125 Cb 0.01 -3.19 0.25 0.00 1.25 0.00 0.00 42.46 40.78 1xax s ILE 125 CO 0.45 0.46 1.19 -1.84 0.24 0.00 0.00 174.94 175.44 1xax n GLU 126 N 3.52 1.68 0.00 0.37 0.28 -1.26 -1.54 120.64 123.69 1xax n GLU 126 Ca -0.17 -1.00 0.00 0.00 -0.16 0.00 0.00 57.16 55.84 1xax n GLU 126 Cb 0.52 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 32.15 1xax n GLU 126 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1xax n ASP 127 N 0.30 0.00 0.00 -1.84 8.00 -1.26 -4.61 116.55 117.14 1xax n ASP 127 Ca 0.09 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1xax n ASP 127 Cb 0.25 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1xax n ASP 127 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xax n ASP 128 N -2.07 0.00 -0.39 -2.24 9.92 -1.26 -4.38 116.55 116.12 1xax n ASP 128 Ca 0.00 0.03 -0.10 0.00 -0.53 0.00 0.00 54.79 54.19 1xax n ASP 128 Cb 0.00 -0.42 -0.09 0.00 -0.64 0.00 0.00 41.12 39.96 1xax n ASP 128 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1xax h GLU 129 N 0.00 -0.00 -0.40 -1.24 4.57 -1.89 0.27 114.58 115.89 1xax h GLU 129 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1xax h GLU 129 Cb 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.51 1xax h GLU 129 CO 0.00 -0.00 -0.52 0.00 -1.18 0.00 0.00 179.01 177.31 1xax h ALA 130 N 0.40 -0.69 0.51 2.92 0.00 -1.49 2.23 119.26 123.14 1xax h ALA 130 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1xax h ALA 130 Cb 0.39 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1xax h ALA 130 CO -0.88 -1.00 -0.38 0.93 0.00 0.00 0.00 179.25 177.92 1xax h GLU 131 N -0.39 -0.82 0.18 0.00 5.08 -1.48 0.15 114.58 117.30 1xax h GLU 131 Ca 0.09 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1xax h GLU 131 Cb 0.60 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1xax h GLU 131 CO -0.59 -0.55 -0.43 0.93 -1.00 0.00 0.00 179.01 177.37 1xax h GLU 132 N -0.85 -0.68 -0.81 2.33 3.07 -0.20 0.25 114.58 117.69 1xax h GLU 132 Ca -0.07 0.05 0.19 0.00 -0.50 0.00 0.00 59.36 59.03 1xax h GLU 132 Cb 0.70 0.15 -0.14 0.00 -0.84 0.00 0.00 28.75 28.63 1xax h GLU 132 CO 0.02 -0.45 0.07 1.98 -1.40 0.00 0.00 179.01 179.23 1xax h MET 133 N -0.71 0.13 -0.37 2.33 4.05 0.37 0.87 114.93 121.59 1xax h MET 133 Ca 0.01 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1xax h MET 133 Cb 0.71 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1xax h MET 133 CO -0.22 0.08 0.15 0.93 0.23 0.00 0.00 176.91 178.09 1xax h GLU 134 N 0.13 0.56 0.86 0.39 5.08 0.13 0.57 114.58 122.30 1xax h GLU 134 Ca 0.46 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1xax h GLU 134 Cb 0.86 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.02 1xax h GLU 134 CO -0.68 0.53 -0.44 0.77 -1.00 0.00 0.00 179.01 178.19 1xax h SER 135 N 0.46 -1.06 0.25 1.42 0.02 0.32 0.15 113.55 115.10 1xax h SER 135 Ca 0.13 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1xax h SER 135 Cb 0.18 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1xax h SER 135 CO -0.01 -0.73 -0.21 0.17 -1.14 0.00 0.00 176.83 174.91 1xax h LEU 136 N -1.20 -0.55 -0.97 5.07 8.10 0.53 0.25 115.31 126.55 1xax h LEU 136 Ca -0.12 0.05 0.23 0.00 0.11 0.00 0.00 57.88 58.15 1xax h LEU 136 Cb 0.93 0.18 -0.12 0.00 -0.44 0.00 0.00 40.66 41.21 1xax h LEU 136 CO 0.18 -0.32 0.53 -0.08 -4.11 0.00 0.00 178.44 174.64 1xax h GLU 137 N -0.47 0.52 0.00 0.17 4.81 0.18 1.16 114.58 120.95 1xax h GLU 137 Ca -0.01 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1xax h GLU 137 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1xax h GLU 137 CO -0.02 0.35 -0.57 1.15 -0.73 0.00 0.00 179.01 179.18 1xax h THR 138 N 0.54 1.33 0.09 0.32 2.02 0.12 0.31 112.91 117.65 1xax h THR 138 Ca 0.61 -2.01 -0.26 0.00 0.77 0.00 0.00 66.41 65.51 1xax h THR 138 Cb 1.14 2.11 0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1xax h THR 138 CO -0.48 0.56 -1.15 -0.61 0.37 0.00 0.00 175.52 174.21 1xax h GLN 139 N 0.00 0.39 0.11 6.66 4.15 0.44 0.97 115.11 127.83 1xax h GLN 139 Ca -0.01 -0.54 -0.31 0.00 0.77 0.00 0.00 58.65 58.57 1xax h GLN 139 Cb 1.06 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1xax h GLN 139 CO 0.07 1.22 -1.55 -0.84 -1.93 0.00 0.00 178.83 175.80 1xax h ILE 140 N 0.16 1.13 0.00 2.39 3.07 0.50 -2.35 117.51 122.41 1xax h ILE 140 Ca -0.13 -2.79 -0.09 0.00 1.55 0.00 0.00 64.86 63.41 1xax h ILE 140 Cb 1.83 2.73 -0.01 0.00 -0.27 0.00 0.00 36.82 41.10 1xax h ILE 140 CO 0.20 0.81 -0.60 0.24 -1.05 0.00 0.00 178.15 177.75 1xax h MET 141 N 0.06 0.00 0.16 0.16 2.86 -0.48 -3.40 114.93 114.30 1xax h MET 141 Ca -0.25 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.06 1xax h MET 141 Cb 2.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.67 1xax h MET 141 CO 0.15 0.60 -1.72 0.37 1.06 0.00 0.00 176.91 177.38 1xax h GLN 142 N -1.00 0.34 -1.74 1.72 4.15 -0.34 -2.92 115.11 115.32 1xax h GLN 142 Ca -0.13 -0.58 0.51 0.00 0.77 0.00 0.00 58.65 59.21 1xax h GLN 142 Cb 0.84 0.22 -0.07 0.00 0.21 0.00 0.00 27.48 28.68 1xax h GLN 142 CO -0.08 1.28 1.25 0.78 -1.93 0.00 0.00 178.83 180.13 1xax h GLY 143 N 0.58 0.02 0.00 2.39 0.00 0.13 0.15 103.07 106.34 1xax h GLY 143 Ca -0.35 -0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.81 1xax h GLY 143 CO 0.14 -0.01 -1.78 1.04 0.00 0.00 0.00 176.54 175.93 1xax n LEU 144 N -4.02 0.00 -1.97 3.11 4.32 -1.25 -5.01 117.00 112.18 1xax n LEU 144 Ca 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.35 1xax n LEU 144 Cb 1.79 0.23 0.00 0.00 -1.62 0.00 0.00 43.42 43.83 1xax n LEU 144 CO 0.43 0.23 -0.00 0.61 -1.22 0.00 0.00 177.39 177.45 1xax n GLY 145 N 2.15 -1.14 0.23 -0.72 0.00 0.52 -5.14 105.19 101.09 1xax n GLY 145 Ca -0.16 0.34 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01